#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7h s SER 2 N 0.00 3.24 -0.23 6.12 1.04 -1.26 -5.09 113.70 117.51 3i7h s SER 2 Ca 0.00 -0.57 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 3i7h s SER 2 Cb 0.00 -1.47 0.07 0.00 0.10 0.00 0.00 66.02 64.72 3i7h s SER 2 CO 0.00 0.09 0.05 -0.31 0.98 0.00 0.00 173.24 174.05 3i7h s TYR 3 N 0.76 1.34 0.30 5.02 2.02 -1.26 -4.37 117.35 121.16 3i7h s TYR 3 Ca -0.08 -1.20 0.11 0.00 -0.37 0.00 0.00 57.07 55.53 3i7h s TYR 3 Cb -0.16 -1.27 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 3i7h s TYR 3 CO -0.00 -0.71 -0.13 -0.80 -1.57 0.00 0.00 175.55 172.34 3i7h s ASN 4 N 1.75 3.80 -0.07 2.29 0.01 0.54 -1.00 114.94 122.25 3i7h s ASN 4 Ca 0.02 -1.01 -0.03 0.00 -0.71 0.00 0.00 52.86 51.12 3i7h s ASN 4 Cb -0.17 -0.40 0.04 0.00 0.41 0.00 0.00 41.25 41.12 3i7h s ASN 4 CO -0.14 -0.05 0.17 -0.47 -1.51 0.00 0.00 177.10 175.10 3i7h s TYR 5 N -2.51 -0.20 -0.12 2.20 5.04 -0.83 -1.93 117.35 119.01 3i7h s TYR 5 Ca 0.31 0.55 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 3i7h s TYR 5 Cb -0.03 -0.06 0.04 0.00 0.35 0.00 0.00 41.96 42.26 3i7h s TYR 5 CO 0.16 -0.18 -0.02 0.14 -1.34 0.00 0.00 175.55 174.31 3i7h s VAL 6 N 1.19 0.69 0.01 3.14 -7.23 0.36 -1.06 120.40 117.50 3i7h s VAL 6 Ca -0.09 -0.23 0.05 0.00 -1.81 0.00 0.00 61.98 59.90 3i7h s VAL 6 Cb -0.11 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 3i7h s VAL 6 CO -0.07 0.18 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.10 3i7h s VAL 7 N 1.83 3.25 0.32 1.32 1.01 -0.98 -1.33 120.40 125.82 3i7h s VAL 7 Ca 0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 3i7h s VAL 7 Cb -0.14 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.76 3i7h s VAL 7 CO -0.07 0.40 1.30 -0.89 0.00 0.00 0.00 175.10 175.85 3i7h s THR 8 N -0.93 2.78 -0.14 3.92 2.01 -1.26 -1.85 115.64 120.17 3i7h s THR 8 Ca 0.15 0.77 0.11 0.00 0.31 0.00 0.00 61.69 63.03 3i7h s THR 8 Cb -0.11 -3.49 -0.16 0.00 0.01 0.00 0.00 72.50 68.75 3i7h s THR 8 CO 0.06 0.18 0.02 0.00 -0.69 0.00 0.00 174.62 174.19 3i7h n ALA 9 N 1.00 1.66 -3.72 7.40 0.00 0.58 -4.90 120.51 122.52 3i7h n ALA 9 Ca 0.01 -0.89 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 3i7h n ALA 9 Cb 0.42 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.72 3i7h n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i7h s GLN 10 N -2.33 0.23 0.77 0.00 2.00 -0.58 -4.93 119.66 114.83 3i7h s GLN 10 Ca -0.09 0.58 -0.11 0.00 -2.00 0.00 0.00 55.36 53.74 3i7h s GLN 10 Cb 0.04 -0.10 0.06 0.00 0.80 0.00 0.00 33.01 33.81 3i7h s GLN 10 CO 0.55 -0.17 1.09 0.15 -0.50 0.00 0.00 175.29 176.41 3i7h s LYS 11 N 1.33 2.23 0.10 1.67 1.02 -1.26 -2.32 119.74 122.50 3i7h s LYS 11 Ca -0.09 1.18 -0.32 0.00 0.02 0.00 0.00 55.97 56.76 3i7h s LYS 11 Cb -0.10 -1.89 -0.11 0.00 -0.52 0.00 0.00 37.83 35.20 3i7h s LYS 11 CO -0.09 -1.66 1.82 -2.30 -0.92 0.00 0.00 175.35 172.19 3i7h n PRO 12 N -3.52 2.64 -0.00 -1.68 -0.02 -1.26 -4.51 135.00 126.64 3i7h n PRO 12 Ca 0.09 0.96 0.08 0.00 -2.02 0.00 0.00 63.50 62.61 3i7h n PRO 12 Cb 0.53 -2.83 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 3i7h n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i7h n THR 13 N 4.64 0.00 -2.09 3.45 -2.24 -0.94 -4.95 114.28 112.16 3i7h n THR 13 Ca 0.19 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 3i7h n THR 13 Cb 0.35 0.59 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 3i7h n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7h s ALA 14 N -2.76 2.63 -0.17 6.98 0.00 -1.02 -4.66 121.76 122.75 3i7h s ALA 14 Ca 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 3i7h s ALA 14 Cb 0.11 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3i7h s ALA 14 CO 0.64 -0.92 -0.05 0.08 0.00 0.00 0.00 175.76 175.52 3i7h s VAL 15 N -2.03 3.67 -0.42 0.00 1.01 -0.83 -4.72 120.40 117.08 3i7h s VAL 15 Ca 0.70 -0.42 0.20 0.00 0.00 0.00 0.00 61.98 62.45 3i7h s VAL 15 Cb -0.22 -2.62 -0.27 0.00 0.00 0.00 0.00 36.38 33.27 3i7h s VAL 15 CO 0.32 0.47 0.61 0.59 0.00 0.00 0.00 175.10 177.09 3i7h n ASN 16 N 3.92 0.62 -3.58 3.32 3.02 -0.80 -4.36 115.26 117.40 3i7h n ASN 16 Ca -0.18 -0.42 -0.05 0.00 -0.03 0.00 0.00 54.58 53.90 3i7h n ASN 16 Cb 0.52 1.52 -0.02 0.00 -0.61 0.00 0.00 39.78 41.19 3i7h n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i7h s GLY 17 N -3.68 -0.29 -0.25 7.41 0.00 -1.23 -4.97 107.32 104.32 3i7h s GLY 17 Ca -0.01 1.65 -0.19 0.00 0.00 0.00 0.00 44.72 46.17 3i7h s GLY 17 CO 0.82 0.59 0.64 0.00 0.00 0.00 0.00 173.10 175.16 3i7h s VAL 19 N 0.90 0.43 0.20 0.00 1.01 0.45 -4.84 120.40 118.54 3i7h s VAL 19 Ca -0.04 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.49 3i7h s VAL 19 Cb -0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3i7h s VAL 19 CO -0.08 -0.06 0.23 -0.89 0.00 0.00 0.00 175.10 174.30 3i7h s THR 20 N -0.55 4.80 -5.00 3.92 2.01 -1.26 0.30 115.64 119.86 3i7h s THR 20 Ca -0.02 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.90 3i7h s THR 20 Cb -0.05 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.93 3i7h s THR 20 CO -0.00 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.32 3i7h n GLY 21 N -0.84 -0.55 3.02 4.40 0.00 -0.75 -4.90 105.19 105.57 3i7h n GLY 21 Ca -0.08 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 3i7h n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i7h s HIS 22 N -2.74 3.51 -0.03 1.61 3.76 -1.26 0.10 115.29 120.25 3i7h s HIS 22 Ca 0.00 -3.04 0.01 0.00 -0.15 0.00 0.00 55.06 51.89 3i7h s HIS 22 Cb 0.00 -3.02 -0.02 0.00 1.11 0.00 0.00 32.58 30.65 3i7h s HIS 22 CO 0.00 -0.73 0.04 0.34 -0.85 0.00 0.00 174.74 173.55 3i7h n PHE 23 N 2.78 0.00 -0.02 1.40 7.35 -1.26 -0.34 117.46 127.37 3i7h n PHE 23 Ca 0.13 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.61 3i7h n PHE 23 Cb 0.36 -0.02 -0.13 0.00 0.35 0.00 0.00 39.48 40.03 3i7h n PHE 23 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i7h h THR 24 N 0.00 0.86 -2.04 -2.13 1.03 -1.87 -3.39 112.91 105.36 3i7h h THR 24 Ca 0.00 -2.33 0.03 0.00 -0.01 0.00 0.00 66.41 64.11 3i7h h THR 24 Cb 0.06 2.52 -0.19 0.00 -1.07 0.00 0.00 68.15 69.47 3i7h h THR 24 CO 0.00 0.68 0.39 -0.94 -0.01 0.00 0.00 175.52 175.63 3i7h s SER 25 N -6.99 -0.48 0.56 0.00 1.04 -1.26 -4.92 113.70 101.65 3i7h s SER 25 Ca -0.23 0.35 0.29 0.00 0.48 0.00 0.00 55.95 56.84 3i7h s SER 25 Cb 0.05 0.43 1.68 0.00 0.10 0.00 0.00 66.02 68.28 3i7h s SER 25 CO 0.72 -0.57 2.18 0.00 0.98 0.00 0.00 173.24 176.56 3i7h h ALA 26 N 2.49 1.41 -0.20 5.32 0.00 -1.83 -2.17 119.26 124.28 3i7h h ALA 26 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3i7h h ALA 26 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3i7h h ALA 26 CO 0.34 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.81 3i7h n GLU 27 N -3.75 2.07 -4.09 0.00 0.28 -1.26 -4.88 120.64 109.01 3i7h n GLU 27 Ca -0.02 -0.98 -0.12 0.00 -0.16 0.00 0.00 57.16 55.87 3i7h n GLU 27 Cb 0.15 -1.59 -0.11 0.00 1.43 0.00 0.00 31.44 31.31 3i7h n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i7h s ASP 28 N -0.46 0.92 -0.20 -1.84 -0.00 -0.82 -5.14 116.67 109.14 3i7h s ASP 28 Ca 0.17 -0.67 -0.03 0.00 -0.00 0.00 0.00 52.55 52.03 3i7h s ASP 28 Cb 0.12 0.05 -0.01 0.00 -0.00 0.00 0.00 42.92 43.08 3i7h s ASP 28 CO 0.07 -0.27 -0.07 -0.22 -0.00 0.00 0.00 175.17 174.68 3i7h s LEU 29 N -1.95 2.82 0.16 1.23 2.96 -1.26 -4.34 118.68 118.30 3i7h s LEU 29 Ca -0.04 -0.39 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3i7h s LEU 29 Cb -0.06 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3i7h s LEU 29 CO -0.01 0.02 0.06 0.20 -1.32 0.00 0.00 176.35 175.30 3i7h s ASN 30 N 1.23 5.15 -0.15 3.68 0.01 0.28 -0.12 114.94 125.02 3i7h s ASN 30 Ca 0.03 -0.25 -0.01 0.00 -0.71 0.00 0.00 52.86 51.92 3i7h s ASN 30 Cb -0.14 -1.23 -0.01 0.00 0.41 0.00 0.00 41.25 40.27 3i7h s ASN 30 CO -0.02 0.09 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.32 3i7h s LEU 31 N -2.97 2.75 -0.20 0.60 2.96 -0.80 -1.81 118.68 119.21 3i7h s LEU 31 Ca 0.29 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.82 3i7h s LEU 31 Cb -0.10 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3i7h s LEU 31 CO 0.21 0.12 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.55 3i7h s LEU 32 N 0.60 2.91 -0.15 -0.68 1.02 0.15 -1.08 118.68 121.45 3i7h s LEU 32 Ca -0.07 -0.35 -0.05 0.00 0.02 0.00 0.00 54.13 53.68 3i7h s LEU 32 Cb -0.15 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 3i7h s LEU 32 CO 0.03 0.03 0.01 -0.63 0.02 0.00 0.00 176.35 175.81 3i7h s ILE 33 N 1.17 4.37 -0.11 -0.59 1.01 -0.44 -0.41 121.20 126.21 3i7h s ILE 33 Ca 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 3i7h s ILE 33 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3i7h s ILE 33 CO -0.01 0.51 0.09 0.00 0.00 0.00 0.00 174.94 175.54 3i7h s ALA 34 N -0.00 3.68 0.00 9.38 0.00 0.32 -0.58 121.76 134.56 3i7h s ALA 34 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.30 3i7h s ALA 34 Cb -0.13 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3i7h s ALA 34 CO 0.02 0.61 0.00 1.63 0.00 0.00 0.00 175.76 178.02 3i7h n LYS 35 N 2.02 0.00 0.00 0.00 5.02 0.95 -1.90 118.16 124.25 3i7h n LYS 35 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 3i7h n LYS 35 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 3i7h n LYS 35 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3i7h n ASN 36 N 0.00 0.00 -1.11 4.39 5.15 -1.26 -3.98 115.26 118.46 3i7h n ASN 36 Ca 0.00 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.08 3i7h n ASN 36 Cb 0.00 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.49 3i7h n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i7h n THR 37 N -1.22 0.77 -5.24 -0.44 -2.24 -1.26 -0.60 114.28 104.05 3i7h n THR 37 Ca 0.00 -0.89 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 3i7h n THR 37 Cb 0.00 0.71 -0.16 0.00 -2.10 0.00 0.00 70.33 68.79 3i7h n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i7h s ARG 38 N -1.17 2.32 -0.23 -0.78 1.81 -1.26 -1.02 118.95 118.62 3i7h s ARG 38 Ca 0.39 -0.89 -0.06 0.00 -1.72 0.00 0.00 55.73 53.44 3i7h s ARG 38 Cb 0.21 -2.13 -0.03 0.00 -0.45 0.00 0.00 34.95 32.56 3i7h s ARG 38 CO 0.28 0.50 0.04 -1.17 -0.68 0.00 0.00 175.30 174.28 3i7h s LEU 39 N -0.46 3.35 -0.13 2.53 2.96 -0.94 -0.03 118.68 125.95 3i7h s LEU 39 Ca 0.05 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 3i7h s LEU 39 Cb -0.11 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3i7h s LEU 39 CO 0.01 -0.00 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.40 3i7h s GLU 40 N 1.41 3.46 -0.17 1.98 2.02 0.25 -2.40 118.70 125.25 3i7h s GLU 40 Ca 0.05 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.55 3i7h s GLU 40 Cb -0.15 -2.87 0.02 0.00 0.10 0.00 0.00 34.13 31.24 3i7h s GLU 40 CO 0.02 0.37 -0.20 0.42 0.02 0.00 0.00 175.26 175.90 3i7h s ILE 41 N 0.02 2.01 0.21 -1.63 1.01 -0.55 -1.32 121.20 120.94 3i7h s ILE 41 Ca 0.01 -0.91 0.11 0.00 0.00 0.00 0.00 60.65 59.86 3i7h s ILE 41 Cb -0.13 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3i7h s ILE 41 CO 0.03 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.97 3i7h s TYR 42 N 1.26 2.19 -0.21 3.97 1.51 -0.24 -0.84 117.35 124.99 3i7h s TYR 42 Ca 0.04 -0.38 -0.05 0.00 -1.01 0.00 0.00 57.07 55.67 3i7h s TYR 42 Cb -0.13 -1.06 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 3i7h s TYR 42 CO -0.12 0.51 -0.02 0.08 -1.11 0.00 0.00 175.55 174.90 3i7h s VAL 43 N -1.94 3.69 0.13 0.71 1.01 0.89 -1.91 120.40 122.99 3i7h s VAL 43 Ca 0.22 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 3i7h s VAL 43 Cb -0.07 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3i7h s VAL 43 CO 0.10 0.42 1.41 -0.69 0.00 0.00 0.00 175.10 176.34 3i7h s VAL 44 N 1.25 3.19 0.00 2.92 1.01 0.82 -0.74 120.40 128.85 3i7h s VAL 44 Ca 0.03 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3i7h s VAL 44 Cb -0.14 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3i7h s VAL 44 CO 0.00 0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.52 3i7h n THR 45 N 3.83 0.00 0.06 3.92 -2.24 0.40 -4.67 114.28 115.58 3i7h n THR 45 Ca 0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 3i7h n THR 45 Cb 0.42 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 3i7h n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7h h ALA 46 N 1.00 -0.24 0.00 6.98 0.00 -2.02 -3.28 119.26 121.71 3i7h h ALA 46 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3i7h h ALA 46 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i7h h ALA 46 CO 0.00 -0.31 0.00 -1.91 0.00 0.00 0.00 179.25 177.03 3i7h n GLU 47 N -4.94 0.24 0.00 0.00 2.13 -1.26 -4.99 120.64 111.82 3i7h n GLU 47 Ca -0.08 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.08 3i7h n GLU 47 Cb 0.26 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.11 3i7h n GLU 47 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i7h n GLY 48 N 0.57 -0.02 3.36 8.31 0.00 -1.24 -5.09 105.19 111.09 3i7h n GLY 48 Ca 0.04 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 3i7h n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7h s LEU 49 N 0.00 2.71 -0.18 0.99 1.02 -1.26 0.15 118.68 122.11 3i7h s LEU 49 Ca 0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 54.13 53.77 3i7h s LEU 49 Cb 0.00 -1.62 -0.02 0.00 0.02 0.00 0.00 46.19 44.57 3i7h s LEU 49 CO 0.00 0.15 -0.02 -0.13 0.02 0.00 0.00 176.35 176.37 3i7h s ARG 50 N 0.45 3.60 0.09 1.70 0.52 0.08 -4.91 118.95 120.48 3i7h s ARG 50 Ca -0.09 -0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 54.28 3i7h s ARG 50 Cb -0.16 -3.00 -0.06 0.00 0.52 0.00 0.00 34.95 32.26 3i7h s ARG 50 CO 0.05 0.07 0.94 -1.25 0.02 0.00 0.00 175.30 175.13 3i7h s PRO 51 N 0.81 4.66 -0.14 3.54 0.04 -1.26 -0.07 135.00 142.58 3i7h s PRO 51 Ca -0.00 1.40 0.04 0.00 0.04 0.00 0.00 61.00 62.48 3i7h s PRO 51 Cb -0.14 -3.38 -0.11 0.00 0.04 0.00 0.00 34.50 30.90 3i7h s PRO 51 CO 0.02 0.20 -0.07 1.33 0.04 0.00 0.00 177.00 178.52 3i7h n VAL 52 N 2.88 0.84 -3.66 -0.36 0.24 -0.02 -4.93 118.33 113.32 3i7h n VAL 52 Ca 0.02 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.86 3i7h n VAL 52 Cb 0.49 -0.91 -0.08 0.00 -1.47 0.00 0.00 33.84 31.87 3i7h n VAL 52 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i7h s LYS 53 N -2.29 0.56 -0.23 7.34 2.47 -1.18 -5.05 119.74 121.35 3i7h s LYS 53 Ca -0.15 1.10 0.02 0.00 -1.56 0.00 0.00 55.97 55.38 3i7h s LYS 53 Cb 0.05 0.20 0.05 0.00 -1.46 0.00 0.00 37.83 36.67 3i7h s LYS 53 CO 0.39 -0.17 -0.13 -2.00 0.16 0.00 0.00 175.35 173.60 3i7h s GLU 54 N 1.82 2.39 0.01 4.03 -6.30 -1.26 -1.48 118.70 117.91 3i7h s GLU 54 Ca -0.09 -1.16 0.05 0.00 -2.50 0.00 0.00 54.97 51.27 3i7h s GLU 54 Cb -0.08 -2.76 -0.03 0.00 0.00 0.00 0.00 34.13 31.26 3i7h s GLU 54 CO -0.17 -0.47 -0.13 0.14 0.02 0.00 0.00 175.26 174.65 3i7h s VAL 55 N 1.18 3.14 0.10 3.70 -7.23 -1.01 -5.02 120.40 115.26 3i7h s VAL 55 Ca -0.05 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 3i7h s VAL 55 Cb -0.18 -2.33 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 3i7h s VAL 55 CO -0.07 0.40 0.40 -0.83 -0.31 0.00 0.00 175.10 174.69 3i7h s GLY 56 N -1.32 2.32 0.13 2.32 0.00 -1.26 -2.22 107.32 107.29 3i7h s GLY 56 Ca 0.15 -0.40 0.07 0.00 0.00 0.00 0.00 44.72 44.54 3i7h s GLY 56 CO 0.05 -0.21 -0.16 1.06 0.00 0.00 0.00 173.10 173.84 3i7h s MET 57 N -2.08 1.10 -1.05 2.90 -1.94 -0.19 -4.50 119.30 113.54 3i7h s MET 57 Ca 0.35 -1.27 -0.03 0.00 -1.71 0.00 0.00 55.69 53.03 3i7h s MET 57 Cb -0.13 -1.09 0.22 0.00 2.01 0.00 0.00 34.83 35.84 3i7h s MET 57 CO 0.19 0.22 2.16 0.66 -0.01 0.00 0.00 175.02 178.24 3i7h n TYR 58 N 0.55 2.61 0.00 -0.03 4.01 -1.26 -4.79 117.16 118.24 3i7h n TYR 58 Ca -0.15 -2.56 0.00 0.00 -0.16 0.00 0.00 57.90 55.02 3i7h n TYR 58 Cb 0.56 -1.45 0.00 0.00 -0.31 0.00 0.00 39.34 38.15 3i7h n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i7h n GLY 59 N 0.63 1.62 3.61 2.72 0.00 -1.26 -4.70 105.19 107.81 3i7h n GLY 59 Ca 0.54 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3i7h n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7h s LYS 60 N -2.00 4.02 0.05 1.61 1.02 -1.26 -4.13 119.74 119.05 3i7h s LYS 60 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 3i7h s LYS 60 Cb 0.00 -3.67 -0.09 0.00 -0.52 0.00 0.00 37.83 33.55 3i7h s LYS 60 CO 0.00 -0.40 1.87 0.42 -0.92 0.00 0.00 175.35 176.32 3i7h s ILE 61 N 2.36 2.94 0.00 2.17 1.01 0.23 -0.39 121.20 129.53 3i7h s ILE 61 Ca 0.22 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3i7h s ILE 61 Cb -0.16 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3i7h s ILE 61 CO 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.03 3i7h n ALA 62 N 6.82 1.24 -3.61 9.38 0.00 -0.31 -4.87 120.51 129.16 3i7h n ALA 62 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 3i7h n ALA 62 Cb 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 3i7h n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i7h s VAL 63 N -1.05 -0.04 -0.25 0.00 1.01 -0.85 -4.84 120.40 114.39 3i7h s VAL 63 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3i7h s VAL 63 Cb 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 36.38 36.23 3i7h s VAL 63 CO 0.00 0.06 0.16 -0.32 0.00 0.00 0.00 175.10 175.00 3i7h s MET 64 N 0.98 0.18 -0.02 2.72 0.00 -1.24 -1.21 119.30 120.71 3i7h s MET 64 Ca -0.07 -0.24 0.01 0.00 0.00 0.00 0.00 55.69 55.38 3i7h s MET 64 Cb -0.09 -1.26 0.02 0.00 0.00 0.00 0.00 34.83 33.49 3i7h s MET 64 CO -0.05 -0.88 -0.01 -1.21 0.00 0.00 0.00 175.02 172.88 3i7h s GLU 65 N 2.19 0.25 0.17 4.11 0.41 0.76 -4.88 118.70 121.70 3i7h s GLU 65 Ca 0.07 0.03 -0.15 0.00 -0.41 0.00 0.00 54.97 54.51 3i7h s GLU 65 Cb -0.16 -0.37 -0.07 0.00 -1.78 0.00 0.00 34.13 31.75 3i7h s GLU 65 CO -0.25 -0.08 0.58 -0.51 -0.49 0.00 0.00 175.26 174.51 3i7h s LEU 66 N 0.67 4.32 0.01 1.80 1.43 -1.26 0.12 118.68 125.77 3i7h s LEU 66 Ca -0.07 1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 3i7h s LEU 66 Cb -0.10 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.80 3i7h s LEU 66 CO -0.01 0.07 0.46 0.72 0.23 0.00 0.00 176.35 177.82 3i7h s PHE 67 N -1.51 -0.35 -0.38 0.29 -0.00 0.10 -4.95 117.98 111.18 3i7h s PHE 67 Ca 0.40 0.46 -0.04 0.00 -0.00 0.00 0.00 56.93 57.75 3i7h s PHE 67 Cb -0.15 0.25 0.08 0.00 -0.00 0.00 0.00 43.02 43.20 3i7h s PHE 67 CO 0.19 -0.54 0.15 -0.98 -0.00 0.00 0.00 175.22 174.04 3i7h s ARG 68 N -1.91 2.28 0.33 1.99 1.70 -1.26 0.34 118.95 122.42 3i7h s ARG 68 Ca -0.09 -1.55 -0.27 0.00 -0.47 0.00 0.00 55.73 53.36 3i7h s ARG 68 Cb -0.02 -3.50 -0.09 0.00 -0.57 0.00 0.00 34.95 30.77 3i7h s ARG 68 CO 0.02 -0.89 1.06 -1.25 -1.08 0.00 0.00 175.30 173.16 3i7h s PRO 69 N 1.25 4.45 0.01 3.89 0.04 -1.26 -4.84 135.00 138.54 3i7h s PRO 69 Ca 0.03 1.64 -0.40 0.00 0.04 0.00 0.00 61.00 62.32 3i7h s PRO 69 Cb -0.22 -2.91 -0.20 0.00 0.04 0.00 0.00 34.50 31.22 3i7h s PRO 69 CO -0.02 0.08 1.10 0.36 0.04 0.00 0.00 177.00 178.56 3i7h n LYS 70 N 0.65 0.13 -2.76 4.56 0.00 -1.26 -2.70 118.16 116.77 3i7h n LYS 70 Ca 0.02 0.05 -0.09 0.00 -0.00 0.00 0.00 58.31 58.28 3i7h n LYS 70 Cb 0.47 -1.56 0.05 0.00 -0.00 0.00 0.00 35.03 33.99 3i7h n LYS 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i7h n GLY 71 N 1.61 -0.02 2.84 2.58 0.00 -1.26 -5.06 105.19 105.88 3i7h n GLY 71 Ca 0.20 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3i7h n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7h s GLU 72 N -4.67 0.72 0.06 1.61 0.41 -1.10 -5.08 118.70 110.66 3i7h s GLU 72 Ca 0.02 -0.01 -0.16 0.00 -0.41 0.00 0.00 54.97 54.42 3i7h s GLU 72 Cb -0.00 -0.89 -0.05 0.00 -1.78 0.00 0.00 34.13 31.40 3i7h s GLU 72 CO 0.40 -0.19 1.26 1.03 -0.49 0.00 0.00 175.26 177.28 3i7h h SER 73 N 7.71 -0.88 -2.70 -0.19 0.87 -1.97 -3.46 113.55 112.93 3i7h h SER 73 Ca -0.30 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3i7h h SER 73 Cb 1.14 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 3i7h h SER 73 CO 0.38 -0.19 0.00 2.29 -0.53 0.00 0.00 176.83 178.78 3i7h n LYS 74 N -3.96 1.79 -2.39 2.24 2.85 -1.26 -4.67 118.16 112.76 3i7h n LYS 74 Ca -0.02 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.84 3i7h n LYS 74 Cb 0.16 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.50 3i7h n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3i7h s ASP 75 N -0.86 7.14 0.23 -5.58 -0.00 0.54 -4.72 116.67 113.42 3i7h s ASP 75 Ca 0.00 2.32 0.03 0.00 -0.00 0.00 0.00 52.55 54.90 3i7h s ASP 75 Cb 0.00 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 3i7h s ASP 75 CO 0.00 -0.27 0.38 -0.22 -0.00 0.00 0.00 175.17 175.05 3i7h s LEU 76 N -1.09 4.26 -0.13 1.23 2.96 0.15 -4.61 118.68 121.45 3i7h s LEU 76 Ca 0.48 0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3i7h s LEU 76 Cb -0.33 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 3i7h s LEU 76 CO 0.41 -0.07 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.04 3i7h s LEU 77 N -3.75 2.86 -0.18 -0.68 2.96 -0.15 -0.72 118.68 119.01 3i7h s LEU 77 Ca 0.36 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3i7h s LEU 77 Cb -0.10 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3i7h s LEU 77 CO 0.30 0.19 -0.03 0.12 -1.32 0.00 0.00 176.35 175.61 3i7h s PHE 78 N 0.22 3.02 -0.07 5.38 5.36 0.31 -0.81 117.98 131.39 3i7h s PHE 78 Ca -0.07 -0.44 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 3i7h s PHE 78 Cb -0.15 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.53 3i7h s PHE 78 CO 0.05 -0.17 -0.11 0.42 -1.46 0.00 0.00 175.22 173.95 3i7h s ILE 79 N 0.73 1.04 -0.16 3.12 1.01 -0.80 -0.17 121.20 125.97 3i7h s ILE 79 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3i7h s ILE 79 Cb -0.14 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.35 3i7h s ILE 79 CO 0.02 0.34 -0.16 -0.22 0.00 0.00 0.00 174.94 174.92 3i7h s LEU 80 N 0.84 2.41 0.50 2.97 2.96 -0.35 -2.29 118.68 125.72 3i7h s LEU 80 Ca -0.11 -0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 3i7h s LEU 80 Cb -0.15 -1.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.91 3i7h s LEU 80 CO 0.02 0.07 1.00 0.28 -1.32 0.00 0.00 176.35 176.40 3i7h s THR 81 N 0.89 4.18 0.42 3.68 -1.32 0.30 -1.16 115.64 122.64 3i7h s THR 81 Ca -0.04 1.20 0.09 0.00 -1.21 0.00 0.00 61.69 61.72 3i7h s THR 81 Cb -0.15 -3.56 0.25 0.00 -1.51 0.00 0.00 72.50 67.53 3i7h s THR 81 CO -0.02 -0.45 2.05 0.00 -2.21 0.00 0.00 174.62 173.99 3i7h h ALA 82 N 1.25 1.72 0.00 11.08 0.00 -1.03 -0.06 119.26 132.21 3i7h h ALA 82 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3i7h h ALA 82 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i7h h ALA 82 CO 0.60 0.24 0.00 1.63 0.00 0.00 0.00 179.25 181.72 3i7h n LYS 83 N -4.46 0.98 -0.58 0.00 5.02 -1.26 -4.91 118.16 112.96 3i7h n LYS 83 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3i7h n LYS 83 Cb 0.09 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 3i7h n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7h n TYR 84 N -0.38 0.00 -2.07 2.13 4.02 -0.04 -4.80 117.16 116.02 3i7h n TYR 84 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 3i7h n TYR 84 Cb 0.06 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.35 3i7h n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i7h s ASN 85 N -2.55 6.47 0.37 7.72 0.01 -1.25 -0.19 114.94 125.52 3i7h s ASN 85 Ca 0.00 1.85 0.06 0.00 -0.71 0.00 0.00 52.86 54.05 3i7h s ASN 85 Cb 0.00 -2.53 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 3i7h s ASN 85 CO 0.00 -1.14 0.53 0.00 -1.51 0.00 0.00 177.10 174.97 3i7h s ALA 86 N 4.82 4.20 0.00 0.60 0.00 -0.82 0.11 121.76 130.66 3i7h s ALA 86 Ca 0.72 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3i7h s ALA 86 Cb -0.28 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.08 3i7h s ALA 86 CO 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 175.76 175.90 3i7h s ILE 88 N -1.69 4.63 0.15 0.00 1.01 -0.94 -1.90 121.20 122.46 3i7h s ILE 88 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.66 3i7h s ILE 88 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3i7h s ILE 88 CO 0.00 0.50 -0.26 -0.76 0.00 0.00 0.00 174.94 174.42 3i7h s LEU 89 N 0.06 2.35 -0.02 2.97 1.43 0.01 -1.46 118.68 124.02 3i7h s LEU 89 Ca 0.04 -0.78 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 3i7h s LEU 89 Cb -0.12 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 3i7h s LEU 89 CO 0.01 0.15 -0.22 -0.70 0.23 0.00 0.00 176.35 175.82 3i7h s GLU 90 N -2.22 1.84 -0.25 1.70 2.12 0.13 -0.98 118.70 121.04 3i7h s GLU 90 Ca 0.15 -0.79 -0.21 0.00 0.36 0.00 0.00 54.97 54.48 3i7h s GLU 90 Cb -0.09 -1.75 -0.02 0.00 0.26 0.00 0.00 34.13 32.53 3i7h s GLU 90 CO 0.07 0.46 0.66 -0.47 -0.54 0.00 0.00 175.26 175.44 3i7h s TYR 91 N -0.47 3.30 -0.27 5.30 5.04 -1.26 -1.65 117.35 127.34 3i7h s TYR 91 Ca 0.07 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 3i7h s TYR 91 Cb -0.09 -2.87 0.08 0.00 0.35 0.00 0.00 41.96 39.43 3i7h s TYR 91 CO -0.00 -0.32 0.03 0.21 -1.34 0.00 0.00 175.55 174.13 3i7h s LYS 92 N 2.49 1.10 -0.07 4.97 2.20 0.15 -4.96 119.74 125.63 3i7h s LYS 92 Ca 0.28 -1.08 0.08 0.00 -0.36 0.00 0.00 55.97 54.88 3i7h s LYS 92 Cb -0.15 -2.38 0.34 0.00 -1.51 0.00 0.00 37.83 34.12 3i7h s LYS 92 CO 0.08 -0.81 1.13 0.94 -0.36 0.00 0.00 175.35 176.33 3i7h n GLN 93 N 4.73 2.38 0.00 4.03 7.27 -1.26 -2.30 117.38 132.23 3i7h n GLN 93 Ca -0.05 -1.32 0.00 0.00 0.07 0.00 0.00 57.00 55.69 3i7h n GLN 93 Cb 0.43 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.46 3i7h n GLN 93 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3i7h n SER 94 N 0.35 0.00 -4.77 1.69 3.41 -1.26 -4.32 113.62 108.73 3i7h n SER 94 Ca 0.12 0.42 -0.34 0.00 -0.26 0.00 0.00 58.87 58.80 3i7h n SER 94 Cb 0.53 -0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3i7h n SER 94 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3i7h s GLY 95 N -0.82 2.43 0.00 5.00 0.00 -1.26 -4.80 107.32 107.87 3i7h s GLY 95 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.46 3i7h s GLY 95 CO 0.00 1.11 0.27 1.18 0.00 0.00 0.00 173.10 175.66 3i7h n GLU 96 N -1.90 0.00 -4.41 2.90 1.02 -1.26 -4.33 120.64 112.65 3i7h n GLU 96 Ca 0.12 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.97 3i7h n GLU 96 Cb 0.51 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.31 3i7h n GLU 96 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3i7h s SER 97 N -1.55 3.30 0.14 1.62 0.01 -1.26 -5.15 113.70 110.82 3i7h s SER 97 Ca 0.00 -0.74 0.03 0.00 1.31 0.00 0.00 55.95 56.55 3i7h s SER 97 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3i7h s SER 97 CO 0.00 0.18 0.25 -0.63 0.41 0.00 0.00 173.24 173.45 3i7h s ILE 98 N -1.05 5.17 -0.10 1.44 1.01 -1.26 -4.53 121.20 121.87 3i7h s ILE 98 Ca 0.14 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.99 3i7h s ILE 98 Cb -0.10 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.76 3i7h s ILE 98 CO 0.06 -0.08 0.25 -1.81 0.00 0.00 0.00 174.94 173.36 3i7h s ASP 99 N -3.15 -0.26 -0.66 3.58 1.01 -0.97 -5.02 116.67 111.19 3i7h s ASP 99 Ca 0.34 0.52 -0.10 0.00 0.71 0.00 0.00 52.55 54.01 3i7h s ASP 99 Cb -0.11 0.44 0.17 0.00 1.01 0.00 0.00 42.92 44.43 3i7h s ASP 99 CO 0.27 -0.14 0.55 -0.63 0.21 0.00 0.00 175.17 175.44 3i7h s ILE 100 N 0.84 4.75 0.22 0.77 -1.09 -1.26 -0.67 121.20 124.75 3i7h s ILE 100 Ca -0.06 -2.32 -0.23 0.00 -2.23 0.00 0.00 60.65 55.81 3i7h s ILE 100 Cb -0.07 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.70 3i7h s ILE 100 CO -0.05 -0.91 0.79 -0.51 -1.23 0.00 0.00 174.94 173.03 3i7h s ILE 101 N 0.56 4.41 -0.89 2.92 1.10 -0.66 -4.89 121.20 123.75 3i7h s ILE 101 Ca 0.13 1.58 -0.19 0.00 -0.51 0.00 0.00 60.65 61.66 3i7h s ILE 101 Cb -0.19 -4.02 0.12 0.00 0.15 0.00 0.00 42.46 38.52 3i7h s ILE 101 CO -0.04 0.34 1.10 -0.89 -2.11 0.00 0.00 174.94 173.34 3i7h s THR 102 N -1.37 4.66 0.35 4.00 2.01 -1.26 -0.69 115.64 123.34 3i7h s THR 102 Ca 0.41 -1.39 0.09 0.00 0.31 0.00 0.00 61.69 61.11 3i7h s THR 102 Cb -0.20 -4.76 0.32 0.00 0.01 0.00 0.00 72.50 67.87 3i7h s THR 102 CO 0.24 -1.50 1.86 0.03 -0.69 0.00 0.00 174.62 174.56 3i7h h ARG 103 N 8.96 0.67 -3.60 4.92 2.47 -1.59 -3.45 114.38 122.76 3i7h h ARG 103 Ca 0.09 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 58.72 3i7h h ARG 103 Cb 1.03 -0.15 -0.09 0.00 -1.65 0.00 0.00 29.97 29.11 3i7h h ARG 103 CO 1.12 0.44 -0.09 0.00 0.56 0.00 0.00 179.97 182.00 3i7h s ALA 104 N -5.68 -0.33 -0.08 0.04 0.00 -1.07 -4.87 121.76 109.77 3i7h s ALA 104 Ca -0.10 -0.81 -0.32 0.00 0.00 0.00 0.00 51.96 50.72 3i7h s ALA 104 Cb 0.22 1.04 0.14 0.00 0.00 0.00 0.00 23.12 24.52 3i7h s ALA 104 CO 0.79 -0.86 1.37 -3.38 0.00 0.00 0.00 175.76 173.68 3i7h s HIS 105 N -4.00 -0.02 0.00 0.00 -3.43 -1.15 -2.21 115.29 104.47 3i7h s HIS 105 Ca 0.21 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3i7h s HIS 105 Cb -0.01 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 3i7h s HIS 105 CO 0.08 -0.12 0.00 0.41 -2.00 0.00 0.00 174.74 173.11 3i7h n GLY 106 N -0.46 4.09 3.63 -1.38 0.00 -1.17 -3.74 105.19 106.16 3i7h n GLY 106 Ca -0.08 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 3i7h n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7h s ASN 107 N 0.00 6.53 -0.17 1.61 3.84 -1.26 -1.95 114.94 123.53 3i7h s ASN 107 Ca 0.00 0.65 0.15 0.00 0.21 0.00 0.00 52.86 53.87 3i7h s ASN 107 Cb 0.00 -2.31 0.74 0.00 -0.55 0.00 0.00 41.25 39.12 3i7h s ASN 107 CO 0.00 -0.32 1.63 1.33 -2.79 0.00 0.00 177.10 176.95 3i7h n VAL 108 N 5.11 2.21 -1.13 -5.21 0.24 0.73 -4.96 118.33 115.32 3i7h n VAL 108 Ca -0.02 -1.22 -0.37 0.00 -2.04 0.00 0.00 64.34 60.69 3i7h n VAL 108 Cb 0.49 -0.12 0.04 0.00 -1.47 0.00 0.00 33.84 32.79 3i7h n VAL 108 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3i7h n GLN 109 N 0.81 0.06 -4.15 7.34 7.27 -1.25 -5.04 117.38 122.42 3i7h n GLN 109 Ca 0.25 0.04 -0.22 0.00 0.07 0.00 0.00 57.00 57.14 3i7h n GLN 109 Cb 1.01 -1.29 -0.17 0.00 2.41 0.00 0.00 30.24 32.20 3i7h n GLN 109 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3i7h s ASP 110 N -1.21 1.25 0.55 1.69 1.01 -1.26 -5.00 116.67 113.70 3i7h s ASP 110 Ca 0.54 -0.16 0.35 0.00 0.71 0.00 0.00 52.55 53.98 3i7h s ASP 110 Cb -0.33 -0.53 1.51 0.00 1.01 0.00 0.00 42.92 44.58 3i7h s ASP 110 CO 0.70 -0.06 1.81 -0.09 0.21 0.00 0.00 175.17 177.73 3i7h h ARG 111 N 7.37 0.00 -6.57 8.23 9.65 -2.03 -3.42 114.38 127.61 3i7h h ARG 111 Ca -0.34 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.06 3i7h h ARG 111 Cb 1.15 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.76 3i7h h ARG 111 CO 0.44 0.00 -0.14 0.42 2.80 0.00 0.00 179.97 183.49 3i7h s ILE 112 N -4.90 2.28 0.05 1.20 1.09 -1.26 -5.06 121.20 114.60 3i7h s ILE 112 Ca -0.05 -1.03 0.00 0.00 -1.10 0.00 0.00 60.65 58.48 3i7h s ILE 112 Cb 0.22 -2.30 0.00 0.00 -1.06 0.00 0.00 42.46 39.31 3i7h s ILE 112 CO 0.76 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 176.21 3i7h n GLY 113 N -2.15 -3.85 3.77 6.18 0.00 -1.26 -5.00 105.19 102.88 3i7h n GLY 113 Ca 0.13 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 3i7h n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i7h s ARG 114 N -3.00 4.58 -0.06 1.61 1.70 -1.26 -4.88 118.95 117.64 3i7h s ARG 114 Ca 0.00 1.54 -0.34 0.00 -0.47 0.00 0.00 55.73 56.46 3i7h s ARG 114 Cb 0.00 -2.97 -0.11 0.00 -0.57 0.00 0.00 34.95 31.29 3i7h s ARG 114 CO 0.00 0.23 1.89 -2.30 -1.08 0.00 0.00 175.30 174.04 3i7h n PRO 115 N 0.83 2.29 -2.06 3.89 -0.02 -1.26 -1.45 135.00 137.22 3i7h n PRO 115 Ca 0.01 0.84 -0.37 0.00 -2.02 0.00 0.00 63.50 61.96 3i7h n PRO 115 Cb 0.48 -2.70 0.02 0.00 -0.02 0.00 0.00 33.50 31.27 3i7h n PRO 115 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3i7h s SER 116 N 4.03 5.65 0.13 2.55 0.15 -1.21 -4.78 113.70 120.22 3i7h s SER 116 Ca 0.92 2.46 -0.25 0.00 0.70 0.00 0.00 55.95 59.77 3i7h s SER 116 Cb -0.65 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 60.98 3i7h s SER 116 CO 0.50 -1.29 0.78 -0.70 1.20 0.00 0.00 173.24 173.73 3i7h s GLU 117 N -2.93 4.55 0.00 5.44 2.12 -1.26 -2.37 118.70 124.25 3i7h s GLU 117 Ca 0.70 1.14 0.00 0.00 0.36 0.00 0.00 54.97 57.17 3i7h s GLU 117 Cb -0.32 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 30.77 3i7h s GLU 117 CO 0.38 0.48 0.00 0.25 -0.54 0.00 0.00 175.26 175.83 3i7h n THR 118 N 1.98 0.00 -0.55 -1.70 -2.24 -1.26 -4.84 114.28 105.67 3i7h n THR 118 Ca -0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.75 3i7h n THR 118 Cb 0.49 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3i7h n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7h n GLY 119 N -2.00 -2.21 3.66 3.38 0.00 -1.00 -4.80 105.19 102.22 3i7h n GLY 119 Ca 0.00 -1.49 -0.47 0.00 0.00 0.00 0.00 46.02 44.06 3i7h n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i7h n ILE 120 N -1.20 0.06 -5.14 -0.61 -0.00 -1.26 -4.82 119.36 106.38 3i7h n ILE 120 Ca 0.00 -0.01 -0.30 0.00 -0.00 0.00 0.00 62.75 62.44 3i7h n ILE 120 Cb 0.06 -1.46 -0.16 0.00 -0.00 0.00 0.00 39.64 38.07 3i7h n ILE 120 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 3i7h s ILE 121 N 1.18 1.87 -0.09 1.39 1.01 -1.17 -4.99 121.20 120.39 3i7h s ILE 121 Ca 0.81 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 60.53 3i7h s ILE 121 Cb -0.72 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.17 3i7h s ILE 121 CO 0.41 0.52 -0.23 -0.83 0.00 0.00 0.00 174.94 174.81 3i7h s GLY 122 N -0.17 1.26 0.04 6.18 0.00 -1.26 -1.55 107.32 111.82 3i7h s GLY 122 Ca -0.02 -0.91 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 3i7h s GLY 122 CO 0.03 -0.32 0.05 -0.26 0.00 0.00 0.00 173.10 172.59 3i7h s ILE 123 N 0.31 0.15 -0.03 0.90 -4.36 -0.38 -4.99 121.20 112.81 3i7h s ILE 123 Ca -0.16 -1.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3i7h s ILE 123 Cb -0.17 -1.00 0.03 0.00 1.25 0.00 0.00 42.46 42.57 3i7h s ILE 123 CO 0.08 -0.70 0.01 -0.63 0.24 0.00 0.00 174.94 173.94 3i7h s ILE 124 N -2.87 0.09 0.44 8.37 1.01 -1.26 -1.52 121.20 125.46 3i7h s ILE 124 Ca -0.03 0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 3i7h s ILE 124 Cb 0.00 -0.20 -0.09 0.00 0.01 0.00 0.00 42.46 42.18 3i7h s ILE 124 CO -0.06 0.13 1.34 -0.67 0.00 0.00 0.00 174.94 175.67 3i7h n ASP 125 N 4.18 2.84 0.25 3.58 2.03 -1.01 -4.84 116.55 123.58 3i7h n ASP 125 Ca -0.27 1.10 0.09 0.00 0.52 0.00 0.00 54.79 56.24 3i7h n ASP 125 Cb 0.50 -1.54 0.67 0.00 -0.72 0.00 0.00 41.12 40.03 3i7h n ASP 125 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3i7h h PRO 126 N 2.11 0.00 -0.23 -0.67 0.11 -1.91 0.38 132.00 131.79 3i7h h PRO 126 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i7h h PRO 126 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i7h h PRO 126 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3i7h n GLU 127 N -4.47 0.93 -4.09 1.05 1.02 -1.26 -4.88 120.64 108.95 3i7h n GLU 127 Ca -0.02 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.77 3i7h n GLU 127 Cb 0.12 -1.11 -0.07 0.00 -0.02 0.00 0.00 31.44 30.36 3i7h n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7h h ARG 129 N -0.71 0.11 -2.84 0.00 3.08 -1.90 -3.44 114.38 108.68 3i7h h ARG 129 Ca -0.49 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 59.38 3i7h h ARG 129 Cb 1.24 0.07 -0.13 0.00 0.08 0.00 0.00 29.97 31.23 3i7h h ARG 129 CO 0.74 0.98 0.27 0.00 -1.07 0.00 0.00 179.97 180.89 3i7h s MET 130 N -2.66 1.19 -0.19 0.04 0.23 -1.26 -1.10 119.30 115.55 3i7h s MET 130 Ca -0.04 -0.44 -0.06 0.00 -1.03 0.00 0.00 55.69 54.11 3i7h s MET 130 Cb 0.08 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.89 3i7h s MET 130 CO 0.84 -0.52 0.04 0.42 -2.03 0.00 0.00 175.02 173.77 3i7h s ILE 131 N -3.61 4.48 -0.19 3.16 1.01 -0.56 -2.41 121.20 123.08 3i7h s ILE 131 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3i7h s ILE 131 Cb -0.01 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3i7h s ILE 131 CO -0.12 0.44 0.02 -0.83 0.00 0.00 0.00 174.94 174.45 3i7h s GLY 132 N 0.61 1.78 0.04 6.18 0.00 -0.58 -1.67 107.32 113.69 3i7h s GLY 132 Ca 0.02 -0.87 0.04 0.00 0.00 0.00 0.00 44.72 43.91 3i7h s GLY 132 CO 0.02 0.11 -0.07 1.08 0.00 0.00 0.00 173.10 174.24 3i7h s LEU 133 N 0.66 3.17 -0.67 0.66 1.02 -0.67 -1.25 118.68 121.61 3i7h s LEU 133 Ca 0.01 -0.21 0.05 0.00 0.02 0.00 0.00 54.13 53.99 3i7h s LEU 133 Cb -0.14 -1.87 0.17 0.00 0.02 0.00 0.00 46.19 44.37 3i7h s LEU 133 CO 0.02 0.24 0.47 -0.60 0.02 0.00 0.00 176.35 176.51 3i7h s ARG 134 N -1.73 2.26 0.13 1.70 3.00 -0.60 -2.43 118.95 121.27 3i7h s ARG 134 Ca 0.19 -3.19 0.10 0.00 -1.00 0.00 0.00 55.73 51.84 3i7h s ARG 134 Cb -0.11 -3.16 -0.15 0.00 0.00 0.00 0.00 34.95 31.53 3i7h s ARG 134 CO 0.11 -1.30 1.19 -0.07 0.00 0.00 0.00 175.30 175.22 3i7h h LEU 135 N 5.43 0.00 -7.59 -0.88 3.38 -1.83 -3.10 115.31 110.72 3i7h h LEU 135 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3i7h h LEU 135 Cb 0.77 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.35 3i7h h LEU 135 CO 0.67 0.86 -0.28 -0.31 0.09 0.00 0.00 178.44 179.47 3i7h s TYR 136 N -2.76 -0.08 0.21 1.13 1.51 -1.26 -3.30 117.35 112.79 3i7h s TYR 136 Ca 0.01 -0.04 -0.31 0.00 -1.01 0.00 0.00 57.07 55.72 3i7h s TYR 136 Cb 0.09 0.07 -0.10 0.00 -0.11 0.00 0.00 41.96 41.91 3i7h s TYR 136 CO 0.80 -0.47 1.53 -0.51 -1.11 0.00 0.00 175.55 175.79 3i7h s ASP 137 N -1.96 6.58 0.00 2.29 1.01 -0.53 -2.42 116.67 121.64 3i7h s ASP 137 Ca -0.06 2.68 0.00 0.00 0.71 0.00 0.00 52.55 55.88 3i7h s ASP 137 Cb -0.02 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3i7h s ASP 137 CO -0.02 -0.80 0.00 0.61 0.21 0.00 0.00 175.17 175.17 3i7h n GLY 138 N 3.02 1.55 2.90 0.21 0.00 -1.26 -4.63 105.19 106.98 3i7h n GLY 138 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3i7h n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7h s LEU 139 N 0.00 1.21 -0.30 0.99 1.43 -1.02 -0.39 118.68 120.60 3i7h s LEU 139 Ca 0.00 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3i7h s LEU 139 Cb 0.00 -0.66 0.06 0.00 0.03 0.00 0.00 46.19 45.62 3i7h s LEU 139 CO 0.00 -0.08 0.00 0.12 0.23 0.00 0.00 176.35 176.62 3i7h s PHE 140 N 1.31 3.31 0.07 0.29 5.36 -0.98 -4.33 117.98 123.01 3i7h s PHE 140 Ca -0.04 -2.03 -0.24 0.00 -0.96 0.00 0.00 56.93 53.66 3i7h s PHE 140 Cb -0.14 -2.21 -0.06 0.00 -0.34 0.00 0.00 43.02 40.28 3i7h s PHE 140 CO -0.03 -0.83 0.75 0.21 -1.46 0.00 0.00 175.22 173.85 3i7h s LYS 141 N 1.21 4.48 -0.05 10.12 2.20 -1.02 -0.87 119.74 135.80 3i7h s LYS 141 Ca -0.04 1.04 0.06 0.00 -0.36 0.00 0.00 55.97 56.68 3i7h s LYS 141 Cb -0.20 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3i7h s LYS 141 CO -0.02 0.37 -0.25 0.08 -0.36 0.00 0.00 175.35 175.16 3i7h s VAL 142 N -0.34 2.07 -0.17 4.02 1.01 0.34 -1.67 120.40 125.65 3i7h s VAL 142 Ca 0.37 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3i7h s VAL 142 Cb -0.21 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3i7h s VAL 142 CO 0.23 0.57 -0.20 -0.63 0.00 0.00 0.00 175.10 175.08 3i7h s ILE 143 N -0.22 2.02 0.44 2.22 1.01 -0.67 -0.84 121.20 125.15 3i7h s ILE 143 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 3i7h s ILE 143 Cb -0.13 -1.82 -0.09 0.00 0.01 0.00 0.00 42.46 40.42 3i7h s ILE 143 CO 0.03 0.53 1.03 -2.84 0.00 0.00 0.00 174.94 173.69 3i7h s PRO 144 N 1.27 4.03 -0.16 2.79 0.02 -1.26 -1.49 135.00 140.20 3i7h s PRO 144 Ca 0.04 1.38 0.13 0.00 0.02 0.00 0.00 61.00 62.58 3i7h s PRO 144 Cb -0.13 -2.30 -0.24 0.00 0.02 0.00 0.00 34.50 31.85 3i7h s PRO 144 CO -0.12 -0.24 0.22 1.28 -0.33 0.00 0.00 177.00 177.81 3i7h n LEU 145 N -0.52 0.74 -0.45 -5.54 4.32 -0.26 -4.91 117.00 110.38 3i7h n LEU 145 Ca 0.07 0.11 -0.05 0.00 -0.02 0.00 0.00 56.01 56.13 3i7h n LEU 145 Cb 0.52 0.15 -0.00 0.00 -1.62 0.00 0.00 43.42 42.47 3i7h n LEU 145 CO 0.41 0.54 -0.04 -0.90 -1.22 0.00 0.00 177.39 176.19 3i7h n ASP 146 N -2.93 -0.27 0.27 -1.43 5.68 -1.26 -4.67 116.55 111.94 3i7h n ASP 146 Ca -0.30 0.09 0.08 0.00 -0.50 0.00 0.00 54.79 54.16 3i7h n ASP 146 Cb 1.10 -0.09 0.41 0.00 -1.14 0.00 0.00 41.12 41.40 3i7h n ASP 146 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3i7h h ARG 147 N 0.05 0.00 0.00 0.11 1.12 -2.00 -3.39 114.38 110.27 3i7h h ARG 147 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 3i7h h ARG 147 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 3i7h h ARG 147 CO 0.05 0.00 0.00 -0.25 -3.11 0.00 0.00 179.97 176.66 3i7h n ASP 148 N -2.45 0.00 -1.63 -3.80 8.00 -1.26 -4.83 116.55 110.59 3i7h n ASP 148 Ca -0.01 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 3i7h n ASP 148 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 3i7h n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i7h n ASN 149 N 0.00 -4.10 0.00 -2.24 5.15 -1.26 -4.86 115.26 107.95 3i7h n ASN 149 Ca 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 3i7h n ASN 149 Cb 0.00 -3.16 0.02 0.00 -0.53 0.00 0.00 39.78 36.11 3i7h n ASN 149 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3i7h n LYS 150 N -2.42 0.14 0.00 1.20 5.02 -1.26 0.11 118.16 120.95 3i7h n LYS 150 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 3i7h n LYS 150 Cb 0.60 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3i7h n LYS 150 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i7h n GLU 151 N -0.57 2.37 -3.47 1.97 1.02 -1.25 -2.94 120.64 117.77 3i7h n GLU 151 Ca 0.00 -0.27 -0.21 0.00 -0.02 0.00 0.00 57.16 56.66 3i7h n GLU 151 Cb 0.00 -0.76 0.07 0.00 -0.02 0.00 0.00 31.44 30.73 3i7h n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i7h n LEU 152 N -0.42 -3.33 -4.59 -4.62 4.77 0.30 -3.97 117.00 105.14 3i7h n LEU 152 Ca 0.00 -0.49 -0.50 0.00 -0.03 0.00 0.00 56.01 54.99 3i7h n LEU 152 Cb 0.01 -2.80 -0.05 0.00 -2.33 0.00 0.00 43.42 38.25 3i7h n LEU 152 CO 0.00 0.57 0.84 0.29 -1.33 0.00 0.00 177.39 177.76 3i7h n LYS 153 N -4.49 1.27 -4.64 3.23 5.02 -1.26 -4.94 118.16 112.34 3i7h n LYS 153 Ca -0.02 0.45 -0.29 0.00 -2.02 0.00 0.00 58.31 56.44 3i7h n LYS 153 Cb 0.56 -2.04 -0.09 0.00 -0.02 0.00 0.00 35.03 33.44 3i7h n LYS 153 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i7h s ALA 154 N 0.17 3.40 0.04 7.82 0.00 -1.26 -4.60 121.76 127.33 3i7h s ALA 154 Ca 0.78 -1.46 -0.00 0.00 0.00 0.00 0.00 51.96 51.28 3i7h s ALA 154 Cb -0.87 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 3i7h s ALA 154 CO 0.49 -0.13 -0.04 -0.59 0.00 0.00 0.00 175.76 175.50 3i7h s PHE 155 N -2.89 0.48 0.20 0.00 -0.12 -0.02 -4.97 117.98 110.65 3i7h s PHE 155 Ca 0.23 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 3i7h s PHE 155 Cb 0.06 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3i7h s PHE 155 CO 0.12 -0.28 0.37 -0.80 -0.05 0.00 0.00 175.22 174.57 3i7h s ASN 156 N -2.39 6.36 -0.08 1.98 0.02 -1.26 0.13 114.94 119.70 3i7h s ASN 156 Ca -0.01 0.31 0.02 0.00 -1.02 0.00 0.00 52.86 52.16 3i7h s ASN 156 Cb 0.01 -1.97 0.02 0.00 0.02 0.00 0.00 41.25 39.33 3i7h s ASN 156 CO -0.06 -0.03 -0.12 -0.63 0.02 0.00 0.00 177.10 176.28 3i7h s ILE 157 N -1.87 1.16 0.33 0.60 1.01 -0.05 -4.92 121.20 117.46 3i7h s ILE 157 Ca 0.37 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.26 3i7h s ILE 157 Cb -0.11 -1.08 -0.11 0.00 0.01 0.00 0.00 42.46 41.17 3i7h s ILE 157 CO 0.29 0.37 1.53 -1.14 0.00 0.00 0.00 174.94 175.99 3i7h n ARG 158 N 4.04 2.65 -4.03 2.79 0.63 -1.26 -2.31 116.66 119.17 3i7h n ARG 158 Ca -0.21 0.94 -0.33 0.00 -0.92 0.00 0.00 57.85 57.33 3i7h n ARG 158 Cb 0.51 -2.68 -0.15 0.00 0.45 0.00 0.00 32.46 30.59 3i7h n ARG 158 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3i7h s LEU 159 N -1.24 3.32 0.31 6.15 0.20 0.47 -4.87 118.68 123.03 3i7h s LEU 159 Ca 0.59 -1.20 0.02 0.00 0.69 0.00 0.00 54.13 54.22 3i7h s LEU 159 Cb -0.49 -1.59 0.57 0.00 -0.43 0.00 0.00 46.19 44.25 3i7h s LEU 159 CO 0.57 -0.17 1.93 -0.08 -0.29 0.00 0.00 176.35 178.30 3i7h h GLU 160 N 7.87 0.95 -5.49 1.98 4.57 -1.93 -3.36 114.58 119.17 3i7h h GLU 160 Ca -0.25 -0.06 -0.29 0.00 -1.18 0.00 0.00 59.36 57.58 3i7h h GLU 160 Cb 1.07 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 3i7h h GLU 160 CO 0.51 0.63 0.89 -1.21 -1.18 0.00 0.00 179.01 178.65 3i7h s GLU 161 N -5.86 2.37 0.00 1.92 8.01 -1.26 -4.87 118.70 119.02 3i7h s GLU 161 Ca -0.11 -0.88 0.00 0.00 0.01 0.00 0.00 54.97 53.99 3i7h s GLU 161 Cb 0.20 -5.17 0.00 0.00 -4.31 0.00 0.00 34.13 24.84 3i7h s GLU 161 CO 0.79 -4.00 0.00 1.47 0.01 0.00 0.00 175.26 173.54 3i7h n LEU 162 N 14.85 0.00 -3.72 1.80 -0.00 -1.26 -4.21 117.00 124.47 3i7h n LEU 162 Ca 0.44 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 56.17 3i7h n LEU 162 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.77 3i7h n LEU 162 CO 0.65 0.00 -0.15 -2.28 -0.00 0.00 0.00 177.39 175.61 3i7h s HIS 163 N -4.55 2.61 -0.17 1.47 5.04 -1.26 -4.13 115.29 114.29 3i7h s HIS 163 Ca 0.00 -2.92 -0.27 0.00 -1.54 0.00 0.00 55.06 50.33 3i7h s HIS 163 Cb 0.00 -2.05 -0.01 0.00 0.04 0.00 0.00 32.58 30.56 3i7h s HIS 163 CO 0.00 -0.66 0.91 0.08 -2.34 0.00 0.00 174.74 172.73 3i7h s VAL 164 N -0.76 4.81 -0.15 0.89 1.01 -1.26 -0.76 120.40 124.18 3i7h s VAL 164 Ca 0.27 1.80 -0.21 0.00 0.00 0.00 0.00 61.98 63.84 3i7h s VAL 164 Cb -0.04 -4.21 -0.19 0.00 0.00 0.00 0.00 36.38 31.94 3i7h s VAL 164 CO -0.16 -0.03 0.45 0.40 0.00 0.00 0.00 175.10 175.76 3i7h h ILE 165 N 5.24 1.17 -3.43 2.22 5.03 -0.82 -3.47 117.51 123.47 3i7h h ILE 165 Ca -0.27 -2.00 -0.10 0.00 -0.12 0.00 0.00 64.86 62.37 3i7h h ILE 165 Cb 1.12 2.33 -0.17 0.00 -3.03 0.00 0.00 36.82 37.07 3i7h h ILE 165 CO 0.87 0.40 -0.33 -0.62 -0.68 0.00 0.00 178.15 177.79 3i7h s ASP 166 N -6.23 -0.04 -0.02 1.72 2.15 -1.19 -4.94 116.67 108.11 3i7h s ASP 166 Ca -0.18 -0.27 -0.02 0.00 0.43 0.00 0.00 52.55 52.51 3i7h s ASP 166 Cb -0.00 0.32 0.01 0.00 -0.30 0.00 0.00 42.92 42.94 3i7h s ASP 166 CO 0.52 -0.57 0.05 -0.69 -0.17 0.00 0.00 175.17 174.31 3i7h s VAL 167 N -2.49 -0.00 0.11 1.11 1.01 -1.26 -1.99 120.40 116.89 3i7h s VAL 167 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3i7h s VAL 167 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 3i7h s VAL 167 CO -0.03 0.00 -0.08 -0.54 0.00 0.00 0.00 175.10 174.45 3i7h s LYS 168 N 0.04 0.88 0.35 2.72 3.01 -0.84 -4.95 119.74 120.95 3i7h s LYS 168 Ca -0.00 -1.34 -0.25 0.00 -1.01 0.00 0.00 55.97 53.37 3i7h s LYS 168 Cb -0.00 -0.32 -0.10 0.00 -1.01 0.00 0.00 37.83 36.40 3i7h s LYS 168 CO 0.00 0.01 0.95 -0.06 0.51 0.00 0.00 175.35 176.76 3i7h s PHE 169 N -3.45 3.60 0.22 3.18 0.40 -1.26 0.28 117.98 120.94 3i7h s PHE 169 Ca 0.12 1.74 -0.12 0.00 -0.60 0.00 0.00 56.93 58.07 3i7h s PHE 169 Cb 0.04 -2.91 -0.07 0.00 0.51 0.00 0.00 43.02 40.59 3i7h s PHE 169 CO -0.03 0.13 0.58 -0.51 0.70 0.00 0.00 175.22 176.08 3i7h s LEU 170 N -2.33 4.20 0.41 -0.37 1.43 0.16 -4.80 118.68 117.38 3i7h s LEU 170 Ca 0.53 1.02 -0.13 0.00 -1.03 0.00 0.00 54.13 54.53 3i7h s LEU 170 Cb -0.16 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 3i7h s LEU 170 CO 0.21 -0.04 0.81 -0.31 0.23 0.00 0.00 176.35 177.25 3i7h s TYR 171 N -1.74 3.44 -0.25 0.29 1.51 -1.26 -4.31 117.35 115.02 3i7h s TYR 171 Ca 0.46 1.18 -0.00 0.00 -1.01 0.00 0.00 57.07 57.70 3i7h s TYR 171 Cb -0.12 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 3i7h s TYR 171 CO 0.20 -0.12 0.01 0.41 -1.11 0.00 0.00 175.55 174.94 3i7h n GLY 172 N -1.15 0.28 3.72 0.71 0.00 -1.26 -4.71 105.19 102.78 3i7h n GLY 172 Ca 0.04 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3i7h n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7h n GLN 174 N 2.13 2.25 -3.52 0.00 6.02 -1.26 -4.75 117.38 118.24 3i7h n GLN 174 Ca -0.19 -1.20 -0.10 0.00 -0.01 0.00 0.00 57.00 55.50 3i7h n GLN 174 Cb 0.54 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 3i7h n GLN 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i7h s ALA 175 N -1.67 -1.84 0.33 -1.58 0.00 -1.26 -5.12 121.76 110.62 3i7h s ALA 175 Ca 0.21 1.21 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 3i7h s ALA 175 Cb 0.14 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 23.17 3i7h s ALA 175 CO 0.09 -0.54 1.27 -2.30 0.00 0.00 0.00 175.76 174.29 3i7h n PRO 176 N 0.18 2.06 -3.66 0.00 -0.02 -1.26 -4.88 135.00 127.43 3i7h n PRO 176 Ca -0.11 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.90 3i7h n PRO 176 Cb 0.60 -2.29 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 3i7h n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7h s THR 177 N -1.05 -0.14 0.35 3.45 2.01 -1.26 -1.71 115.64 117.29 3i7h s THR 177 Ca 0.56 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.70 3i7h s THR 177 Cb -0.58 -0.25 -0.10 0.00 0.01 0.00 0.00 72.50 71.58 3i7h s THR 177 CO 0.62 0.10 0.83 -0.51 -0.69 0.00 0.00 174.62 174.96 3i7h s ILE 178 N 2.19 4.53 -0.10 1.82 1.10 0.50 -0.67 121.20 130.57 3i7h s ILE 178 Ca 0.04 1.24 -0.03 0.00 -0.51 0.00 0.00 60.65 61.39 3i7h s ILE 178 Cb -0.13 -3.65 0.05 0.00 0.15 0.00 0.00 42.46 38.87 3i7h s ILE 178 CO -0.05 -0.18 0.08 0.00 -2.11 0.00 0.00 174.94 172.68 3i7h s PHE 180 N 2.16 0.90 -0.20 0.00 -0.12 -0.79 -1.98 117.98 117.95 3i7h s PHE 180 Ca 0.04 -0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 55.97 3i7h s PHE 180 Cb -0.14 -0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 41.72 3i7h s PHE 180 CO -0.06 -0.14 -0.05 0.08 -0.05 0.00 0.00 175.22 175.00 3i7h s VAL 181 N -3.61 3.48 0.23 -2.49 1.01 -0.84 -1.59 120.40 116.58 3i7h s VAL 181 Ca 0.12 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.73 3i7h s VAL 181 Cb 0.05 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3i7h s VAL 181 CO -0.05 0.45 -0.20 -0.72 0.00 0.00 0.00 175.10 174.58 3i7h s TYR 182 N 1.10 2.11 -0.05 5.22 -0.85 -0.45 -0.08 117.35 124.35 3i7h s TYR 182 Ca 0.01 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.17 3i7h s TYR 182 Cb -0.15 -0.98 -0.03 0.00 0.38 0.00 0.00 41.96 41.19 3i7h s TYR 182 CO -0.00 0.54 -0.06 -1.14 -1.52 0.00 0.00 175.55 173.37 3i7h s GLN 183 N -3.21 2.74 0.31 -3.49 0.74 0.06 -1.73 119.66 115.08 3i7h s GLN 183 Ca 0.24 -0.57 -0.03 0.00 0.05 0.00 0.00 55.36 55.05 3i7h s GLN 183 Cb -0.05 -2.60 -0.01 0.00 1.10 0.00 0.00 33.01 31.45 3i7h s GLN 183 CO 0.11 0.66 0.42 0.16 -0.55 0.00 0.00 175.29 176.08 3i7h s ASP 184 N -0.96 0.74 0.03 6.67 1.47 -0.95 -4.07 116.67 119.60 3i7h s ASP 184 Ca 0.14 -1.41 -0.06 0.00 1.18 0.00 0.00 52.55 52.39 3i7h s ASP 184 Cb -0.11 0.61 -0.01 0.00 -0.34 0.00 0.00 42.92 43.06 3i7h s ASP 184 CO 0.03 -1.20 0.32 -2.65 0.68 0.00 0.00 175.17 172.35 3i7h n PRO 185 N -0.51 -0.09 -0.05 2.11 -0.02 -1.26 -2.45 135.00 132.73 3i7h n PRO 185 Ca 0.01 0.31 -0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3i7h n PRO 185 Cb 0.62 -0.46 0.02 0.00 -0.02 0.00 0.00 33.50 33.66 3i7h n PRO 185 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7h n GLN 186 N -4.20 1.18 0.00 -0.52 6.02 -1.26 -4.97 117.38 113.62 3i7h n GLN 186 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3i7h n GLN 186 Cb 0.05 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3i7h n GLN 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i7h n GLY 187 N 0.13 -0.46 3.38 1.08 0.00 -1.03 -5.02 105.19 103.26 3i7h n GLY 187 Ca 0.02 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 3i7h n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7h s ARG 188 N 0.00 1.88 0.05 1.61 0.52 -1.26 -2.24 118.95 119.50 3i7h s ARG 188 Ca 0.00 -1.08 -0.00 0.00 -0.52 0.00 0.00 55.73 54.13 3i7h s ARG 188 Cb 0.00 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 3i7h s ARG 188 CO 0.00 0.52 -0.04 -1.01 0.02 0.00 0.00 175.30 174.79 3i7h s HIS 189 N -0.84 0.52 -0.11 -0.53 3.76 -0.71 -1.08 115.29 116.29 3i7h s HIS 189 Ca 0.12 -0.86 -0.03 0.00 -0.15 0.00 0.00 55.06 54.14 3i7h s HIS 189 Cb -0.10 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 3i7h s HIS 189 CO 0.03 -0.27 0.01 0.54 -0.85 0.00 0.00 174.74 174.20 3i7h s VAL 190 N -3.03 4.40 0.04 -0.90 0.11 -0.41 -1.34 120.40 119.26 3i7h s VAL 190 Ca 0.00 -0.20 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 3i7h s VAL 190 Cb 0.01 -2.89 -0.01 0.00 -1.53 0.00 0.00 36.38 31.97 3i7h s VAL 190 CO -0.06 0.57 0.12 -0.75 -3.33 0.00 0.00 175.10 171.64 3i7h s LYS 191 N -0.52 0.60 0.20 1.54 2.20 -0.62 -2.44 119.74 120.70 3i7h s LYS 191 Ca 0.09 -0.72 0.10 0.00 -0.36 0.00 0.00 55.97 55.09 3i7h s LYS 191 Cb -0.12 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 3i7h s LYS 191 CO 0.02 -0.16 -0.18 0.95 -0.36 0.00 0.00 175.35 175.63 3i7h s THR 192 N -2.57 2.71 -0.10 3.43 -4.23 -1.26 -1.89 115.64 111.73 3i7h s THR 192 Ca -0.05 -1.91 -0.07 0.00 -1.18 0.00 0.00 61.69 58.47 3i7h s THR 192 Cb -0.01 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.53 3i7h s THR 192 CO -0.04 -0.14 0.26 -0.31 -0.54 0.00 0.00 174.62 173.84 3i7h s TYR 193 N -1.76 -0.31 0.37 3.99 4.12 -1.00 -3.75 117.35 119.01 3i7h s TYR 193 Ca 0.23 0.75 -0.25 0.00 0.02 0.00 0.00 57.07 57.82 3i7h s TYR 193 Cb -0.08 0.08 -0.10 0.00 -1.52 0.00 0.00 41.96 40.35 3i7h s TYR 193 CO 0.12 -0.18 1.00 -1.21 0.02 0.00 0.00 175.55 175.30 3i7h s GLU 194 N 0.66 4.35 -0.38 -0.62 2.02 -0.33 -0.37 118.70 124.03 3i7h s GLU 194 Ca -0.04 1.40 -0.12 0.00 0.02 0.00 0.00 54.97 56.22 3i7h s GLU 194 Cb -0.06 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.58 3i7h s GLU 194 CO -0.04 0.05 0.24 0.08 0.02 0.00 0.00 175.26 175.61 3i7h s VAL 195 N -1.69 4.84 -0.83 2.63 1.01 -0.69 -3.97 120.40 121.70 3i7h s VAL 195 Ca 0.55 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.59 3i7h s VAL 195 Cb -0.19 -3.69 0.14 0.00 0.00 0.00 0.00 36.38 32.64 3i7h s VAL 195 CO 0.25 -0.25 0.97 -0.55 0.00 0.00 0.00 175.10 175.52 3i7h s SER 196 N 1.61 6.55 0.32 3.32 0.15 -1.23 -4.54 113.70 119.87 3i7h s SER 196 Ca 0.03 -2.00 0.26 0.00 0.70 0.00 0.00 55.95 54.94 3i7h s SER 196 Cb -0.19 -2.34 1.07 0.00 -1.71 0.00 0.00 66.02 62.84 3i7h s SER 196 CO 0.08 -1.00 1.77 0.17 1.20 0.00 0.00 173.24 175.46 3i7h h LEU 197 N 9.85 0.00 -0.33 3.45 -0.00 -1.95 1.11 115.31 127.44 3i7h h LEU 197 Ca 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 3i7h h LEU 197 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 3i7h h LEU 197 CO 1.04 0.00 0.05 -0.09 -0.00 0.00 0.00 178.44 179.44 3i7h h ARG 198 N 0.00 0.55 0.00 0.17 9.65 -1.97 -3.36 114.38 119.41 3i7h h ARG 198 Ca 0.00 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.73 3i7h h ARG 198 Cb 0.40 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3i7h h ARG 198 CO 0.00 0.64 0.00 -0.85 2.80 0.00 0.00 179.97 182.56 3i7h n GLU 199 N -4.59 -0.51 -1.26 0.20 0.28 -1.09 -5.03 120.64 108.64 3i7h n GLU 199 Ca -0.02 -0.47 -0.09 0.00 -0.16 0.00 0.00 57.16 56.42 3i7h n GLU 199 Cb 0.22 -0.89 -0.04 0.00 1.43 0.00 0.00 31.44 32.16 3i7h n GLU 199 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3i7h n LYS 200 N -0.03 -0.60 -0.44 3.44 5.02 0.38 -5.02 118.16 120.91 3i7h n LYS 200 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 3i7h n LYS 200 Cb 0.08 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.42 3i7h n LYS 200 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i7h n GLU 201 N -2.74 0.64 -0.00 1.97 1.02 -1.19 -4.76 120.64 115.58 3i7h n GLU 201 Ca -0.09 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 3i7h n GLU 201 Cb 0.29 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.66 3i7h n GLU 201 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3i7h n PHE 202 N -1.36 0.00 -1.54 -0.32 0.99 -1.26 -3.52 117.46 110.45 3i7h n PHE 202 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i7h n PHE 202 Cb 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 38.41 3i7h n PHE 202 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3i7h n ASN 203 N -1.41 -0.04 -4.94 4.37 3.02 -1.25 -1.81 115.26 113.21 3i7h n ASN 203 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.35 3i7h n ASN 203 Cb 0.15 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.38 3i7h n ASN 203 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3i7h s LYS 204 N 0.00 2.28 0.12 3.52 2.20 -1.26 -4.67 119.74 121.93 3i7h s LYS 204 Ca 0.00 -1.35 0.07 0.00 -0.36 0.00 0.00 55.97 54.33 3i7h s LYS 204 Cb 0.00 -2.58 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 3i7h s LYS 204 CO 0.00 -0.87 -0.07 0.20 -0.36 0.00 0.00 175.35 174.25 3i7h s GLY 205 N -4.60 1.80 0.64 5.54 0.00 -1.25 -1.19 107.32 108.27 3i7h s GLY 205 Ca 0.61 -1.26 0.21 0.00 0.00 0.00 0.00 44.72 44.28 3i7h s GLY 205 CO 0.39 -1.25 1.56 -2.55 0.00 0.00 0.00 173.10 171.25 3i7h h PRO 206 N 3.38 0.00 -1.90 2.90 0.11 -1.93 -3.42 132.00 131.14 3i7h h PRO 206 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3i7h h PRO 206 Cb 1.17 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.08 3i7h h PRO 206 CO 0.55 0.00 0.24 1.67 -0.21 0.00 0.00 178.00 180.25 3i7h s TRP 207 N -4.24 -0.65 1.16 0.65 -2.14 -1.26 -4.91 118.94 107.56 3i7h s TRP 207 Ca -0.02 1.33 -0.19 0.00 2.66 0.00 0.00 56.10 59.87 3i7h s TRP 207 Cb 0.09 0.37 0.29 0.00 -3.10 0.00 0.00 33.47 31.11 3i7h s TRP 207 CO 0.29 -0.46 0.97 0.36 -2.66 0.00 0.00 176.95 175.45 3i7h n LYS 208 N 1.59 -3.21 -3.06 3.25 0.00 -1.26 -4.17 118.16 111.29 3i7h n LYS 208 Ca -0.16 -1.57 -0.37 0.00 -0.00 0.00 0.00 58.31 56.21 3i7h n LYS 208 Cb 0.56 -1.54 -0.06 0.00 -0.00 0.00 0.00 35.03 34.00 3i7h n LYS 208 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 3i7h s GLN 209 N -5.23 4.37 0.06 -1.58 0.74 -1.26 -4.77 119.66 111.99 3i7h s GLN 209 Ca 0.65 0.98 0.04 0.00 0.05 0.00 0.00 55.36 57.07 3i7h s GLN 209 Cb -0.07 -3.01 -0.03 0.00 1.10 0.00 0.00 33.01 31.00 3i7h s GLN 209 CO 0.50 0.46 -0.11 -1.21 -0.55 0.00 0.00 175.29 174.38 3i7h s GLU 210 N -1.67 0.67 0.37 1.67 0.41 -1.02 -5.00 118.70 114.13 3i7h s GLU 210 Ca 0.40 -0.87 -0.26 0.00 -0.41 0.00 0.00 54.97 53.84 3i7h s GLU 210 Cb -0.19 -0.55 -0.09 0.00 -1.78 0.00 0.00 34.13 31.52 3i7h s GLU 210 CO 0.23 0.11 1.10 -0.80 -0.49 0.00 0.00 175.26 175.41 3i7h s ASN 211 N -1.69 6.81 0.50 -0.19 0.01 -1.26 -1.29 114.94 117.82 3i7h s ASN 211 Ca -0.06 2.19 0.02 0.00 -0.71 0.00 0.00 52.86 54.31 3i7h s ASN 211 Cb -0.10 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 3i7h s ASN 211 CO 0.01 -0.47 0.05 0.68 -1.51 0.00 0.00 177.10 175.86 3i7h s VAL 212 N -1.46 1.34 0.51 1.60 -7.23 -0.24 -4.85 120.40 110.07 3i7h s VAL 212 Ca 0.54 -1.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.54 3i7h s VAL 212 Cb -0.27 -2.28 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 3i7h s VAL 212 CO 0.34 0.00 1.40 -0.70 -0.31 0.00 0.00 175.10 175.83 3i7h s GLU 213 N -3.90 3.33 0.64 4.82 2.12 -1.26 -4.44 118.70 120.01 3i7h s GLU 213 Ca 0.13 2.33 0.22 0.00 0.36 0.00 0.00 54.97 58.01 3i7h s GLU 213 Cb 0.02 -2.41 1.20 0.00 0.26 0.00 0.00 34.13 33.21 3i7h s GLU 213 CO 0.07 -1.07 1.67 0.00 -0.54 0.00 0.00 175.26 175.39 3i7h h ALA 214 N 1.78 1.48 0.00 6.30 0.00 -1.96 -1.50 119.26 125.35 3i7h h ALA 214 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3i7h h ALA 214 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3i7h h ALA 214 CO 0.59 -0.48 -0.18 0.39 0.00 0.00 0.00 179.25 179.57 3i7h n GLU 215 N -2.74 0.83 -1.69 0.00 -0.58 -1.26 -4.89 120.64 110.31 3i7h n GLU 215 Ca -0.01 -2.01 -0.44 0.00 -0.42 0.00 0.00 57.16 54.28 3i7h n GLU 215 Cb 0.52 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 30.23 3i7h n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7h n ALA 216 N -0.92 1.45 -0.16 0.62 0.00 -0.57 -4.05 120.51 116.88 3i7h n ALA 216 Ca 0.10 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3i7h n ALA 216 Cb 0.66 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3i7h n ALA 216 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i7h n SER 217 N 1.92 0.00 -4.29 0.00 3.41 -0.62 -4.97 113.62 109.08 3i7h n SER 217 Ca 0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.39 3i7h n SER 217 Cb 0.33 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 3i7h n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i7h s MET 218 N 0.00 2.88 -0.18 4.33 -1.94 -1.08 -4.59 119.30 118.71 3i7h s MET 218 Ca 0.00 -0.84 -0.03 0.00 -1.71 0.00 0.00 55.69 53.11 3i7h s MET 218 Cb 0.00 -2.32 -0.02 0.00 2.01 0.00 0.00 34.83 34.51 3i7h s MET 218 CO 0.00 0.30 -0.06 0.08 -0.01 0.00 0.00 175.02 175.34 3i7h s VAL 219 N 0.05 3.49 -0.12 -6.03 1.01 -1.26 -2.08 120.40 115.46 3i7h s VAL 219 Ca -0.09 -0.48 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3i7h s VAL 219 Cb -0.15 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 3i7h s VAL 219 CO 0.06 0.46 -0.12 -0.63 0.00 0.00 0.00 175.10 174.87 3i7h s ILE 220 N 0.90 3.19 -0.36 2.22 1.01 0.54 -4.80 121.20 123.90 3i7h s ILE 220 Ca -0.01 -0.62 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 3i7h s ILE 220 Cb -0.15 -2.34 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 3i7h s ILE 220 CO 0.01 0.53 0.25 0.00 0.00 0.00 0.00 174.94 175.73 3i7h s ALA 221 N 0.18 3.48 -0.05 9.38 0.00 -1.26 0.54 121.76 134.03 3i7h s ALA 221 Ca -0.07 -1.51 -0.14 0.00 0.00 0.00 0.00 51.96 50.25 3i7h s ALA 221 Cb -0.15 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 3i7h s ALA 221 CO 0.05 -1.15 0.36 0.08 0.00 0.00 0.00 175.76 175.10 3i7h s VAL 222 N 1.70 5.16 0.85 0.00 1.01 -0.99 -4.91 120.40 123.21 3i7h s VAL 222 Ca 0.05 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.63 3i7h s VAL 222 Cb -0.18 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.64 3i7h s VAL 222 CO 0.10 0.53 1.13 -2.84 0.00 0.00 0.00 175.10 174.02 3i7h s PRO 223 N -0.68 1.62 0.27 2.72 0.02 -1.26 -3.13 135.00 134.56 3i7h s PRO 223 Ca 0.21 0.37 0.15 0.00 0.02 0.00 0.00 61.00 61.76 3i7h s PRO 223 Cb -0.15 -1.89 0.99 0.00 0.02 0.00 0.00 34.50 33.47 3i7h s PRO 223 CO 0.10 -1.89 1.18 0.39 -0.33 0.00 0.00 177.00 176.45 3i7h n GLU 224 N -3.57 -0.05 -0.34 5.54 -0.58 -1.26 -1.71 120.64 118.67 3i7h n GLU 224 Ca 0.07 1.03 0.14 0.00 -0.42 0.00 0.00 57.16 57.98 3i7h n GLU 224 Cb 0.59 -1.85 0.35 0.00 -0.57 0.00 0.00 31.44 29.96 3i7h n GLU 224 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i7h h PRO 225 N 0.00 0.69 0.00 3.49 0.11 -1.91 -3.31 132.00 131.08 3i7h h PRO 225 Ca 0.63 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.50 3i7h h PRO 225 Cb 1.65 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.58 3i7h h PRO 225 CO -0.58 0.46 -1.55 1.19 -0.21 0.00 0.00 178.00 177.31 3i7h n PHE 226 N -4.74 0.00 -2.15 0.65 3.01 -0.70 -4.56 117.46 108.97 3i7h n PHE 226 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.69 3i7h n PHE 226 Cb 0.61 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 3i7h n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i7h n GLY 227 N 2.04 -4.36 0.00 1.37 0.00 -0.80 -5.00 105.19 98.44 3i7h n GLY 227 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3i7h n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7h n GLY 228 N 1.89 -0.72 3.11 -0.02 0.00 -1.21 -4.86 105.19 103.38 3i7h n GLY 228 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 3i7h n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7h s ALA 229 N -1.00 0.98 -0.07 4.61 0.00 0.11 -2.36 121.76 124.03 3i7h s ALA 229 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3i7h s ALA 229 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 3i7h s ALA 229 CO 0.00 0.15 -0.12 0.42 0.00 0.00 0.00 175.76 176.21 3i7h s ILE 230 N -0.98 3.25 -0.30 0.00 1.01 0.19 -0.11 121.20 124.27 3i7h s ILE 230 Ca -0.01 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3i7h s ILE 230 Cb -0.08 -2.31 0.08 0.00 0.01 0.00 0.00 42.46 40.16 3i7h s ILE 230 CO 0.01 0.58 -0.03 -0.63 0.00 0.00 0.00 174.94 174.87 3i7h s ILE 231 N -0.50 2.34 0.03 2.92 1.01 0.10 -0.34 121.20 126.76 3i7h s ILE 231 Ca 0.07 -1.89 -0.21 0.00 0.00 0.00 0.00 60.65 58.61 3i7h s ILE 231 Cb -0.12 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 3i7h s ILE 231 CO 0.02 -0.28 0.63 -0.63 0.00 0.00 0.00 174.94 174.68 3i7h s ILE 232 N 1.04 4.81 0.00 2.92 1.01 -0.88 -2.29 121.20 127.81 3i7h s ILE 232 Ca -0.01 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.97 3i7h s ILE 232 Cb -0.20 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.31 3i7h s ILE 232 CO -0.06 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3i7h n GLY 233 N 2.23 5.84 3.91 6.18 0.00 -0.61 -1.59 105.19 121.15 3i7h n GLY 233 Ca -0.07 -1.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 3i7h n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7h s GLN 234 N 1.61 3.61 0.00 1.61 -1.52 -1.26 -4.51 119.66 119.21 3i7h s GLN 234 Ca 0.00 -0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 3i7h s GLN 234 Cb 0.00 -2.62 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 3i7h s GLN 234 CO 0.00 0.17 0.00 -0.85 -0.25 0.00 0.00 175.29 174.36 3i7h n GLU 235 N -1.15 -1.49 -3.64 2.91 0.28 -1.26 -4.82 120.64 111.48 3i7h n GLU 235 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.84 3i7h n GLU 235 Cb 0.54 -3.09 -0.07 0.00 1.43 0.00 0.00 31.44 30.25 3i7h n GLU 235 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i7h s SER 236 N -0.45 -0.74 -0.03 -1.84 1.04 -1.26 -4.43 113.70 106.00 3i7h s SER 236 Ca 0.00 1.42 0.03 0.00 0.48 0.00 0.00 55.95 57.88 3i7h s SER 236 Cb 0.00 1.43 -0.00 0.00 0.10 0.00 0.00 66.02 67.55 3i7h s SER 236 CO 0.00 -0.24 -0.12 -0.63 0.98 0.00 0.00 173.24 173.23 3i7h s ILE 237 N 0.40 0.98 -0.01 -1.02 1.01 0.12 -1.57 121.20 121.10 3i7h s ILE 237 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.16 3i7h s ILE 237 Cb -0.05 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.57 3i7h s ILE 237 CO 0.01 0.29 0.02 0.42 0.00 0.00 0.00 174.94 175.68 3i7h s THR 238 N 0.07 -0.00 -0.12 2.92 -4.23 -0.97 -0.64 115.64 112.66 3i7h s THR 238 Ca -0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.43 3i7h s THR 238 Cb -0.09 -0.04 -0.04 0.00 1.34 0.00 0.00 72.50 73.67 3i7h s THR 238 CO 0.01 0.00 0.10 -0.47 -0.54 0.00 0.00 174.62 173.72 3i7h s TYR 239 N 0.03 3.45 -0.05 3.99 5.04 0.18 0.02 117.35 130.02 3i7h s TYR 239 Ca -0.00 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 3i7h s TYR 239 Cb -0.00 -1.94 0.02 0.00 0.35 0.00 0.00 41.96 40.39 3i7h s TYR 239 CO -0.00 0.59 -0.03 -1.01 -1.34 0.00 0.00 175.55 173.76 3i7h s HIS 240 N -0.76 0.69 -0.30 4.97 3.76 0.85 -0.97 115.29 123.52 3i7h s HIS 240 Ca 0.13 -0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 54.77 3i7h s HIS 240 Cb -0.12 -0.68 0.17 0.00 1.11 0.00 0.00 32.58 33.06 3i7h s HIS 240 CO 0.03 -0.22 0.78 1.21 -0.85 0.00 0.00 174.74 175.69 3i7h s ASN 241 N 1.21 -0.97 1.22 1.40 2.47 -0.43 0.05 114.94 119.89 3i7h s ASN 241 Ca -0.07 0.94 0.00 0.00 0.42 0.00 0.00 52.86 54.16 3i7h s ASN 241 Cb -0.14 1.95 0.00 0.00 -1.45 0.00 0.00 41.25 41.61 3i7h s ASN 241 CO -0.02 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 173.79 3i7h n GLY 242 N 5.33 3.06 1.14 1.21 0.00 -1.26 -0.74 105.19 113.93 3i7h n GLY 242 Ca -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.80 3i7h n GLY 242 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7h n ASP 243 N 2.57 3.16 -4.56 1.61 4.64 -1.26 -4.84 116.55 117.86 3i7h n ASP 243 Ca 0.00 -2.42 -0.40 0.00 -1.38 0.00 0.00 54.79 50.58 3i7h n ASP 243 Cb 0.00 -0.59 -0.09 0.00 -1.04 0.00 0.00 41.12 39.40 3i7h n ASP 243 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3i7h s LYS 244 N -1.80 3.71 -0.20 -0.67 2.20 0.08 -5.05 119.74 118.00 3i7h s LYS 244 Ca 0.25 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.57 3i7h s LYS 244 Cb 0.19 -3.75 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3i7h s LYS 244 CO 0.07 -0.43 -0.16 -0.47 -0.36 0.00 0.00 175.35 174.00 3i7h s TYR 245 N 2.01 2.89 0.01 4.03 5.04 -1.26 -1.32 117.35 128.75 3i7h s TYR 245 Ca 0.12 -1.65 0.08 0.00 -2.44 0.00 0.00 57.07 53.18 3i7h s TYR 245 Cb -0.16 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 3i7h s TYR 245 CO 0.11 -0.78 -0.25 -0.51 -1.34 0.00 0.00 175.55 172.78 3i7h s LEU 246 N 1.29 2.10 -0.08 6.97 1.43 -0.15 -4.97 118.68 125.27 3i7h s LEU 246 Ca 0.03 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 3i7h s LEU 246 Cb -0.14 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 44.89 3i7h s LEU 246 CO -0.10 0.27 0.18 0.00 0.23 0.00 0.00 176.35 176.93 3i7h s ALA 247 N -0.67 -0.34 0.29 4.21 0.00 -1.26 0.50 121.76 124.49 3i7h s ALA 247 Ca 0.10 0.76 0.11 0.00 0.00 0.00 0.00 51.96 52.93 3i7h s ALA 247 Cb -0.09 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 3i7h s ALA 247 CO 0.00 -0.25 -0.18 0.96 0.00 0.00 0.00 175.76 176.29 3i7h s ILE 248 N 1.43 2.41 -0.38 0.00 -4.36 0.19 -5.01 121.20 115.48 3i7h s ILE 248 Ca -0.07 -2.36 0.12 0.00 -0.26 0.00 0.00 60.65 58.08 3i7h s ILE 248 Cb -0.11 -2.37 0.37 0.00 1.25 0.00 0.00 42.46 41.59 3i7h s ILE 248 CO -0.07 -0.36 0.90 0.00 0.24 0.00 0.00 174.94 175.65 3i7h n ALA 249 N -0.65 1.59 -2.36 2.27 0.00 -1.26 -0.70 120.51 119.40 3i7h n ALA 249 Ca -0.05 -2.78 -0.42 0.00 0.00 0.00 0.00 53.44 50.19 3i7h n ALA 249 Cb 0.61 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 3i7h n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i7h s PRO 250 N -1.78 4.34 0.58 0.00 0.04 -1.26 -4.88 135.00 132.04 3i7h s PRO 250 Ca 0.32 1.81 0.34 0.00 0.04 0.00 0.00 61.00 63.51 3i7h s PRO 250 Cb 0.36 -3.50 1.79 0.00 0.04 0.00 0.00 34.50 33.19 3i7h s PRO 250 CO -0.05 -0.45 2.18 -1.35 0.04 0.00 0.00 177.00 177.37 3i7h h PRO 251 N 7.41 0.00 0.00 0.56 0.11 -2.00 -1.70 132.00 136.39 3i7h h PRO 251 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3i7h h PRO 251 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3i7h h PRO 251 CO 0.87 0.05 0.46 0.82 -0.21 0.00 0.00 178.00 179.99 3i7h h ILE 252 N 0.00 0.00 0.00 4.15 2.04 -2.01 0.27 117.51 121.97 3i7h h ILE 252 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3i7h h ILE 252 Cb 0.20 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3i7h h ILE 252 CO 0.01 0.00 -1.59 -0.38 0.00 0.00 0.00 178.15 176.19 3i7h n ILE 253 N -2.75 0.00 0.07 -0.67 5.41 -0.64 -4.57 119.36 116.21 3i7h n ILE 253 Ca -0.02 -0.33 0.19 0.00 1.00 0.00 0.00 62.75 63.60 3i7h n ILE 253 Cb 0.50 0.34 0.73 0.00 -0.71 0.00 0.00 39.64 40.50 3i7h n ILE 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3i7h h LYS 254 N 0.00 0.00 0.00 0.38 3.11 -0.57 -3.40 116.57 116.09 3i7h h LYS 254 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3i7h h LYS 254 Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.99 3i7h h LYS 254 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 179.45 177.68 3i7h n GLN 255 N -4.13 3.82 0.00 1.90 6.02 -1.26 -4.65 117.38 119.08 3i7h n GLN 255 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3i7h n GLN 255 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 3i7h n GLN 255 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i7h n SER 256 N 0.00 0.00 -4.76 1.08 2.88 -1.26 -4.85 113.62 106.70 3i7h n SER 256 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 3i7h n SER 256 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i7h n SER 256 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3i7h s THR 257 N 0.00 2.73 0.03 2.46 2.01 -1.26 -4.80 115.64 116.81 3i7h s THR 257 Ca 0.00 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.31 3i7h s THR 257 Cb 0.00 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3i7h s THR 257 CO 0.00 0.03 0.88 -0.63 -0.69 0.00 0.00 174.62 174.22 3i7h s ILE 258 N -1.39 4.76 0.00 1.82 1.01 -1.26 -2.02 121.20 124.13 3i7h s ILE 258 Ca 0.62 1.87 0.00 0.00 0.00 0.00 0.00 60.65 63.15 3i7h s ILE 258 Cb -0.34 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 37.89 3i7h s ILE 258 CO 0.43 0.26 0.00 0.52 0.00 0.00 0.00 174.94 176.15 3i7h n VAL 259 N 3.33 0.00 -3.92 2.92 0.31 0.24 -4.96 118.33 116.25 3i7h n VAL 259 Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 3i7h n VAL 259 Cb 0.50 0.01 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 3i7h n VAL 259 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i7h s HIS 261 N -3.72 -0.52 0.02 0.00 -0.00 -1.26 -1.30 115.29 108.50 3i7h s HIS 261 Ca 0.17 0.55 -0.14 0.00 -0.00 0.00 0.00 55.06 55.65 3i7h s HIS 261 Cb -0.03 0.51 0.02 0.00 -0.00 0.00 0.00 32.58 33.07 3i7h s HIS 261 CO 0.09 -0.68 0.30 1.21 -0.00 0.00 0.00 174.74 175.66 3i7h s ASN 262 N -2.13 -0.14 -0.15 7.38 2.47 -0.97 -4.77 114.94 116.62 3i7h s ASN 262 Ca -0.02 -0.09 -0.08 0.00 0.42 0.00 0.00 52.86 53.10 3i7h s ASN 262 Cb -0.01 0.33 -0.04 0.00 -1.45 0.00 0.00 41.25 40.08 3i7h s ASN 262 CO -0.05 -0.54 0.13 0.00 -3.72 0.00 0.00 177.10 172.92 3i7h s ARG 263 N -2.05 3.69 -0.16 0.43 1.70 -1.26 -0.23 118.95 121.07 3i7h s ARG 263 Ca -0.09 -0.18 -0.22 0.00 -0.47 0.00 0.00 55.73 54.78 3i7h s ARG 263 Cb -0.03 -3.26 -0.23 0.00 -0.57 0.00 0.00 34.95 30.87 3i7h s ARG 263 CO -0.00 0.60 0.44 0.28 -1.08 0.00 0.00 175.30 175.54 3i7h h VAL 264 N 4.25 1.15 -3.22 4.99 2.07 -1.26 -3.45 116.25 120.78 3i7h h VAL 264 Ca -0.50 -2.28 -0.67 0.00 0.82 0.00 0.00 66.70 64.08 3i7h h VAL 264 Cb 1.20 2.64 -0.32 0.00 -1.52 0.00 0.00 31.29 33.29 3i7h h VAL 264 CO 0.64 0.49 -0.81 -1.81 0.02 0.00 0.00 177.57 176.11 3i7h s ASP 265 N -6.75 3.56 0.26 0.57 1.01 -1.21 -5.03 116.67 109.09 3i7h s ASP 265 Ca -0.24 -0.53 -0.02 0.00 0.71 0.00 0.00 52.55 52.47 3i7h s ASP 265 Cb 0.03 -1.56 0.55 0.00 1.01 0.00 0.00 42.92 42.95 3i7h s ASP 265 CO 0.66 0.03 1.71 -0.65 0.21 0.00 0.00 175.17 177.14 3i7h h PRO 266 N 7.70 0.40 -1.35 8.23 0.11 -1.92 1.36 132.00 146.53 3i7h h PRO 266 Ca -0.39 -0.02 0.47 0.00 0.11 0.00 0.00 66.00 66.17 3i7h h PRO 266 Cb 1.17 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 32.04 3i7h h PRO 266 CO 0.60 0.26 0.86 0.09 -0.21 0.00 0.00 178.00 179.61 3i7h n ASN 267 N -5.04 0.22 -0.73 -2.05 3.02 -1.26 -4.70 115.26 104.73 3i7h n ASN 267 Ca 0.17 1.39 0.00 0.00 -0.03 0.00 0.00 54.58 56.11 3i7h n ASN 267 Cb 0.50 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.98 3i7h n ASN 267 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7h n GLY 268 N -1.50 0.50 0.00 7.41 0.00 0.47 -4.52 105.19 107.55 3i7h n GLY 268 Ca 0.40 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3i7h n GLY 268 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i7h n SER 269 N -0.58 1.24 -3.79 1.61 7.64 -1.25 -4.76 113.62 113.73 3i7h n SER 269 Ca 0.00 -0.37 -0.14 0.00 1.01 0.00 0.00 58.87 59.37 3i7h n SER 269 Cb 0.38 1.37 -0.16 0.00 -1.01 0.00 0.00 64.21 64.79 3i7h n SER 269 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3i7h s ARG 270 N -2.70 -0.03 0.10 1.43 0.52 -1.25 -0.53 118.95 116.50 3i7h s ARG 270 Ca -0.01 0.17 0.09 0.00 -0.52 0.00 0.00 55.73 55.46 3i7h s ARG 270 Cb 0.10 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.33 3i7h s ARG 270 CO 0.59 -0.14 -0.24 0.71 0.02 0.00 0.00 175.30 176.24 3i7h s TYR 271 N 0.90 2.05 0.06 -0.53 1.51 -0.07 -0.68 117.35 120.59 3i7h s TYR 271 Ca -0.07 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3i7h s TYR 271 Cb -0.11 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.56 3i7h s TYR 271 CO -0.03 0.24 0.29 -0.51 -1.11 0.00 0.00 175.55 174.43 3i7h s LEU 272 N -1.83 4.33 -0.08 -1.29 1.43 0.68 -0.15 118.68 121.78 3i7h s LEU 272 Ca 0.10 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3i7h s LEU 272 Cb -0.10 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.19 3i7h s LEU 272 CO 0.04 0.17 -0.09 -0.76 0.23 0.00 0.00 176.35 175.95 3i7h s LEU 273 N -2.22 1.37 -0.29 1.79 1.43 0.07 -2.29 118.68 118.54 3i7h s LEU 273 Ca 0.34 -0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 3i7h s LEU 273 Cb -0.13 -0.76 -0.02 0.00 0.03 0.00 0.00 46.19 45.31 3i7h s LEU 273 CO 0.22 -0.05 0.15 -0.83 0.23 0.00 0.00 176.35 176.07 3i7h s GLY 274 N 1.16 1.86 0.85 -3.19 0.00 -0.42 -0.79 107.32 106.79 3i7h s GLY 274 Ca -0.06 -1.28 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 3i7h s GLY 274 CO -0.02 0.66 1.10 0.99 0.00 0.00 0.00 173.10 175.83 3i7h s ASP 275 N 1.65 3.72 0.00 1.64 1.11 -0.94 0.81 116.67 124.65 3i7h s ASP 275 Ca 0.06 1.80 0.22 0.00 0.18 0.00 0.00 52.55 54.80 3i7h s ASP 275 Cb -0.16 -2.43 1.28 0.00 1.07 0.00 0.00 42.92 42.68 3i7h s ASP 275 CO 0.07 -2.53 1.70 0.80 1.18 0.00 0.00 175.17 176.38 3i7h n MET 276 N -3.84 0.62 0.00 8.23 1.56 -0.85 -3.16 117.12 119.68 3i7h n MET 276 Ca 0.09 0.02 0.04 0.00 -0.27 0.00 0.00 57.70 57.57 3i7h n MET 276 Cb 0.53 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 34.42 3i7h n MET 276 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3i7h n GLU 277 N -1.05 1.43 -0.34 2.12 1.02 -1.26 -4.83 120.64 117.73 3i7h n GLU 277 Ca 0.15 -0.67 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 3i7h n GLU 277 Cb 0.09 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3i7h n GLU 277 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7h n GLY 278 N 0.64 0.89 3.73 0.62 0.00 -1.19 -4.75 105.19 105.13 3i7h n GLY 278 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3i7h n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7h s ARG 279 N -0.55 4.23 -0.11 1.61 0.52 -1.26 0.13 118.95 123.52 3i7h s ARG 279 Ca 0.00 2.36 -0.01 0.00 -0.52 0.00 0.00 55.73 57.56 3i7h s ARG 279 Cb 0.00 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 3i7h s ARG 279 CO 0.00 -0.53 -0.05 -1.17 0.02 0.00 0.00 175.30 173.56 3i7h s LEU 280 N 0.34 3.21 0.18 2.53 2.96 0.22 -2.22 118.68 125.89 3i7h s LEU 280 Ca 0.65 -0.07 0.09 0.00 -0.22 0.00 0.00 54.13 54.59 3i7h s LEU 280 Cb -0.43 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3i7h s LEU 280 CO 0.38 0.28 -0.20 -0.36 -1.32 0.00 0.00 176.35 175.12 3i7h s PHE 281 N -0.28 1.98 -0.17 5.38 0.40 0.03 -0.46 117.98 124.85 3i7h s PHE 281 Ca 0.04 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.88 3i7h s PHE 281 Cb -0.13 -0.98 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 3i7h s PHE 281 CO 0.02 0.39 0.03 -1.64 0.70 0.00 0.00 175.22 174.73 3i7h s MET 282 N -2.75 3.88 -0.22 0.44 -1.94 -0.05 -0.75 119.30 117.91 3i7h s MET 282 Ca 0.17 -0.40 -0.07 0.00 -1.71 0.00 0.00 55.69 53.69 3i7h s MET 282 Cb -0.06 -3.12 -0.03 0.00 2.01 0.00 0.00 34.83 33.63 3i7h s MET 282 CO 0.08 0.27 0.05 -1.17 -0.01 0.00 0.00 175.02 174.23 3i7h s LEU 283 N 0.36 3.48 -0.12 -0.03 2.96 0.79 -1.37 118.68 124.74 3i7h s LEU 283 Ca 0.01 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.78 3i7h s LEU 283 Cb -0.13 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 3i7h s LEU 283 CO 0.01 0.05 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.23 3i7h s LEU 284 N 1.13 2.93 -0.20 -0.68 1.43 0.39 -0.89 118.68 122.78 3i7h s LEU 284 Ca 0.04 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3i7h s LEU 284 Cb -0.14 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3i7h s LEU 284 CO 0.03 0.22 -0.02 -0.76 0.23 0.00 0.00 176.35 176.04 3i7h s LEU 285 N 0.06 3.12 -0.20 1.79 1.43 0.31 -0.89 118.68 124.30 3i7h s LEU 285 Ca -0.03 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.64 3i7h s LEU 285 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3i7h s LEU 285 CO 0.04 0.05 0.41 -0.70 0.23 0.00 0.00 176.35 176.38 3i7h s GLU 286 N 1.10 4.18 0.49 1.70 2.12 -0.94 -4.78 118.70 122.58 3i7h s GLU 286 Ca 0.02 0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.51 3i7h s GLU 286 Cb -0.14 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 3i7h s GLU 286 CO 0.01 -0.04 0.83 0.15 -0.54 0.00 0.00 175.26 175.67 3i7h s LYS 287 N 1.31 3.61 -0.30 4.30 1.02 -1.26 -1.51 119.74 126.91 3i7h s LYS 287 Ca 0.20 0.37 -0.03 0.00 0.02 0.00 0.00 55.97 56.53 3i7h s LYS 287 Cb -0.15 -2.32 0.10 0.00 -0.52 0.00 0.00 37.83 34.95 3i7h s LYS 287 CO 0.08 -0.24 0.13 -1.21 -0.92 0.00 0.00 175.35 173.19 3i7h s GLU 288 N -4.63 0.34 -0.03 1.68 0.41 -0.47 -4.78 118.70 111.22 3i7h s GLU 288 Ca 0.50 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 54.04 3i7h s GLU 288 Cb -0.10 -1.37 -0.05 0.00 -1.78 0.00 0.00 34.13 30.83 3i7h s GLU 288 CO 0.44 -1.03 1.44 -2.00 -0.49 0.00 0.00 175.26 173.62 3i7h s GLU 289 N 1.91 4.25 -0.40 1.61 2.12 -1.26 -2.75 118.70 124.19 3i7h s GLU 289 Ca 0.10 1.98 -0.07 0.00 0.36 0.00 0.00 54.97 57.34 3i7h s GLU 289 Cb -0.17 -3.68 0.08 0.00 0.26 0.00 0.00 34.13 30.62 3i7h s GLU 289 CO -0.32 -0.65 0.21 -0.65 -0.54 0.00 0.00 175.26 173.31 3i7h s GLN 290 N 2.86 2.50 0.00 4.30 -0.21 -1.17 -4.92 119.66 123.01 3i7h s GLN 290 Ca 0.65 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.57 3i7h s GLN 290 Cb -0.31 -3.65 0.00 0.00 1.00 0.00 0.00 33.01 30.05 3i7h s GLN 290 CO 0.26 -0.90 0.00 0.00 -2.12 0.00 0.00 175.29 172.52 3i7h n MET 291 N 4.83 0.00 -1.86 2.91 0.00 -1.26 0.12 117.12 121.85 3i7h n MET 291 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.60 3i7h n MET 291 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.65 3i7h n MET 291 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3i7h n ASP 292 N 0.00 -3.27 -2.35 3.17 8.00 -1.26 -5.04 116.55 115.80 3i7h n ASP 292 Ca 0.00 -0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.43 3i7h n ASP 292 Cb 0.00 -1.91 0.04 0.00 -0.02 0.00 0.00 41.12 39.24 3i7h n ASP 292 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7h n GLY 293 N -1.22 0.16 7.00 0.44 0.00 0.32 -5.16 105.19 106.73 3i7h n GLY 293 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i7h n GLY 293 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i7h n THR 294 N -0.62 0.00 -4.36 2.61 -1.04 -1.26 -4.57 114.28 105.04 3i7h n THR 294 Ca -0.14 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.57 3i7h n THR 294 Cb 0.69 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.09 3i7h n THR 294 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i7h s VAL 295 N 0.00 3.07 0.25 12.58 -7.23 -1.26 -3.07 120.40 124.74 3i7h s VAL 295 Ca 0.00 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 3i7h s VAL 295 Cb 0.00 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 3i7h s VAL 295 CO 0.00 0.17 0.08 0.42 -0.31 0.00 0.00 175.10 175.46 3i7h s THR 296 N -1.12 0.62 -0.25 5.32 -4.23 -1.11 -4.77 115.64 110.12 3i7h s THR 296 Ca 0.18 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.47 3i7h s THR 296 Cb -0.11 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 3i7h s THR 296 CO 0.10 -0.08 0.72 -0.76 -0.54 0.00 0.00 174.62 174.06 3i7h s LEU 297 N -3.30 4.07 -0.06 4.79 1.02 -1.26 -1.37 118.68 122.57 3i7h s LEU 297 Ca 0.35 0.87 -0.09 0.00 0.02 0.00 0.00 54.13 55.29 3i7h s LEU 297 Cb 0.08 -3.01 -0.29 0.00 0.02 0.00 0.00 46.19 42.98 3i7h s LEU 297 CO 0.12 -0.43 0.60 0.50 0.02 0.00 0.00 176.35 177.16 3i7h h LYS 298 N 7.77 0.34 -2.80 1.70 3.64 -1.57 -3.49 116.57 122.17 3i7h h LYS 298 Ca -0.25 -0.59 0.06 0.00 -1.27 0.00 0.00 60.65 58.60 3i7h h LYS 298 Cb 1.11 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 3i7h h LYS 298 CO 0.82 1.26 0.38 0.34 -2.27 0.00 0.00 179.45 179.98 3i7h s ASP 299 N -7.18 -0.04 0.14 4.20 2.15 -1.25 -5.04 116.67 109.64 3i7h s ASP 299 Ca -0.17 -0.88 0.09 0.00 0.43 0.00 0.00 52.55 52.03 3i7h s ASP 299 Cb 0.06 0.70 -0.04 0.00 -0.30 0.00 0.00 42.92 43.34 3i7h s ASP 299 CO 0.83 -1.37 -0.21 -0.76 -0.17 0.00 0.00 175.17 173.49 3i7h s LEU 300 N -3.14 2.37 -0.01 -1.34 1.43 -1.26 -2.21 118.68 114.52 3i7h s LEU 300 Ca 0.17 -0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 52.47 3i7h s LEU 300 Cb -0.04 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.23 3i7h s LEU 300 CO 0.08 0.05 0.04 -0.60 0.23 0.00 0.00 176.35 176.16 3i7h s ARG 301 N -2.33 0.13 0.17 1.70 3.52 -0.06 -4.97 118.95 117.10 3i7h s ARG 301 Ca 0.13 -0.08 0.09 0.00 -0.13 0.00 0.00 55.73 55.74 3i7h s ARG 301 Cb -0.08 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.32 3i7h s ARG 301 CO 0.06 -0.02 -0.12 0.08 -0.81 0.00 0.00 175.30 174.49 3i7h s VAL 302 N -0.32 3.09 -0.18 7.11 1.01 -1.26 -0.46 120.40 129.39 3i7h s VAL 302 Ca -0.04 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.21 3i7h s VAL 302 Cb -0.02 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.91 3i7h s VAL 302 CO -0.00 -0.08 0.41 -1.61 0.00 0.00 0.00 175.10 173.82 3i7h s GLU 303 N -2.71 0.36 -0.14 2.72 2.02 -0.47 -4.95 118.70 115.53 3i7h s GLU 303 Ca 0.24 0.88 -0.29 0.00 0.02 0.00 0.00 54.97 55.81 3i7h s GLU 303 Cb -0.09 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.20 3i7h s GLU 303 CO 0.14 -0.19 1.67 -1.17 0.02 0.00 0.00 175.26 175.72 3i7h s LEU 304 N 1.84 4.08 0.07 1.80 2.96 -1.26 -0.87 118.68 127.29 3i7h s LEU 304 Ca -0.07 1.93 0.17 0.00 -0.22 0.00 0.00 54.13 55.95 3i7h s LEU 304 Cb -0.10 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.93 3i7h s LEU 304 CO -0.13 -1.13 0.82 0.18 -1.32 0.00 0.00 176.35 174.77 3i7h n LEU 305 N 7.98 0.83 0.00 -0.68 4.77 0.39 -4.84 117.00 125.46 3i7h n LEU 305 Ca 0.19 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 3i7h n LEU 305 Cb 0.44 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3i7h n LEU 305 CO 0.64 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3i7h n GLY 306 N 1.38 0.65 3.24 -0.72 0.00 -1.23 0.16 105.19 108.68 3i7h n GLY 306 Ca -0.09 -1.63 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 3i7h n GLY 306 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i7h s GLU 307 N -2.00 1.27 0.00 1.61 -1.05 -1.26 0.68 118.70 117.95 3i7h s GLU 307 Ca 0.00 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 3i7h s GLU 307 Cb 0.00 -1.40 0.00 0.00 -0.44 0.00 0.00 34.13 32.29 3i7h s GLU 307 CO 0.00 0.35 0.00 0.25 0.95 0.00 0.00 175.26 176.81 3i7h n THR 308 N 1.69 0.00 -3.64 1.83 -2.24 0.34 -4.91 114.28 107.34 3i7h n THR 308 Ca -0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 3i7h n THR 308 Cb 0.54 -0.12 -0.07 0.00 -2.10 0.00 0.00 70.33 68.58 3i7h n THR 308 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i7h s SER 309 N -0.51 -0.62 0.01 3.42 1.04 -1.26 -5.02 113.70 110.75 3i7h s SER 309 Ca 0.00 1.03 -0.24 0.00 0.48 0.00 0.00 55.95 57.21 3i7h s SER 309 Cb 0.00 1.21 -0.12 0.00 0.10 0.00 0.00 66.02 67.21 3i7h s SER 309 CO 0.00 -0.17 0.64 -0.38 0.98 0.00 0.00 173.24 174.32 3i7h n ILE 310 N 3.55 0.07 -4.89 -1.02 2.08 -1.26 -4.79 119.36 113.10 3i7h n ILE 310 Ca -0.18 -0.02 -0.33 0.00 0.56 0.00 0.00 62.75 62.79 3i7h n ILE 310 Cb 0.58 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 39.32 3i7h n ILE 310 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i7h s ALA 311 N -0.04 2.54 -0.10 -1.39 0.00 -1.26 -4.25 121.76 117.27 3i7h s ALA 311 Ca 0.55 -0.93 0.21 0.00 0.00 0.00 0.00 51.96 51.80 3i7h s ALA 311 Cb -0.78 -1.08 0.51 0.00 0.00 0.00 0.00 23.12 21.78 3i7h s ALA 311 CO 0.35 0.32 1.65 0.93 0.00 0.00 0.00 175.76 179.02 3i7h h GLU 312 N 6.40 0.00 -2.61 0.00 4.39 -0.02 -3.45 114.58 119.29 3i7h h GLU 312 Ca -0.29 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 3i7h h GLU 312 Cb 1.20 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.59 3i7h h GLU 312 CO 0.53 0.26 -0.29 0.00 -1.16 0.00 0.00 179.01 178.35 3i7h s LEU 314 N 1.48 0.74 -0.32 0.00 2.96 -1.26 0.12 118.68 122.40 3i7h s LEU 314 Ca -0.09 -0.65 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 3i7h s LEU 314 Cb -0.08 -0.41 0.08 0.00 0.50 0.00 0.00 46.19 46.27 3i7h s LEU 314 CO -0.13 -0.32 0.01 -0.89 -1.32 0.00 0.00 176.35 173.70 3i7h s THR 315 N 2.00 2.54 -0.23 3.68 2.01 0.13 -4.43 115.64 121.33 3i7h s THR 315 Ca 0.01 -1.88 -0.36 0.00 0.31 0.00 0.00 61.69 59.77 3i7h s THR 315 Cb -0.16 -2.65 -0.12 0.00 0.01 0.00 0.00 72.50 69.58 3i7h s THR 315 CO -0.08 -0.33 1.97 0.00 -0.69 0.00 0.00 174.62 175.49 3i7h n TYR 316 N 4.43 2.02 0.00 4.92 9.36 -1.26 -0.66 117.16 135.97 3i7h n TYR 316 Ca -0.06 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.36 3i7h n TYR 316 Cb 0.42 -2.58 0.00 0.00 -0.63 0.00 0.00 39.34 36.55 3i7h n TYR 316 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3i7h n LEU 317 N 7.68 0.09 -3.62 2.98 4.77 -0.14 -4.95 117.00 123.81 3i7h n LEU 317 Ca 0.30 0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 56.43 3i7h n LEU 317 Cb 0.24 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3i7h n LEU 317 CO 0.76 -0.46 1.07 -0.62 -1.33 0.00 0.00 177.39 176.80 3i7h s ASP 318 N -3.41 -0.11 -1.25 -1.43 2.15 -1.21 -4.99 116.67 106.42 3i7h s ASP 318 Ca 0.00 0.08 -0.07 0.00 0.43 0.00 0.00 52.55 52.99 3i7h s ASP 318 Cb 0.00 0.10 0.01 0.00 -0.30 0.00 0.00 42.92 42.72 3i7h s ASP 318 CO 0.00 -0.13 1.08 0.59 -0.17 0.00 0.00 175.17 176.55 3i7h n ASN 319 N 0.34 -5.22 -1.47 -0.34 3.02 -1.26 -1.42 115.26 108.91 3i7h n ASN 319 Ca -0.01 -0.53 -0.19 0.00 -0.03 0.00 0.00 54.58 53.83 3i7h n ASN 319 Cb 0.58 -4.80 -0.08 0.00 -0.61 0.00 0.00 39.78 34.87 3i7h n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7h n GLY 320 N -1.75 1.83 3.42 7.41 0.00 -1.26 -4.92 105.19 109.92 3i7h n GLY 320 Ca -0.06 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3i7h n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7h s VAL 321 N -2.71 4.74 -0.08 1.61 1.01 -0.51 0.10 120.40 124.56 3i7h s VAL 321 Ca 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 3i7h s VAL 321 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3i7h s VAL 321 CO 0.00 -0.15 0.20 -0.69 0.00 0.00 0.00 175.10 174.46 3i7h s VAL 322 N 1.60 5.41 -0.25 2.92 1.01 0.21 -0.97 120.40 130.33 3i7h s VAL 322 Ca 0.03 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 3i7h s VAL 322 Cb -0.18 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3i7h s VAL 322 CO 0.07 0.57 0.19 0.12 0.00 0.00 0.00 175.10 176.05 3i7h s PHE 323 N -1.08 3.28 -0.49 5.22 5.36 0.17 0.39 117.98 130.83 3i7h s PHE 323 Ca 0.18 0.21 -0.16 0.00 -0.96 0.00 0.00 56.93 56.21 3i7h s PHE 323 Cb -0.13 -2.33 0.09 0.00 -0.34 0.00 0.00 43.02 40.30 3i7h s PHE 323 CO 0.08 -0.03 0.43 0.08 -1.46 0.00 0.00 175.22 174.32 3i7h s VAL 324 N 1.36 5.22 -0.23 3.12 1.01 0.90 -0.70 120.40 131.08 3i7h s VAL 324 Ca 0.08 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 3i7h s VAL 324 Cb -0.15 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3i7h s VAL 324 CO 0.07 -0.66 0.81 -0.83 0.00 0.00 0.00 175.10 174.49 3i7h s GLY 325 N 2.84 1.82 0.24 4.51 0.00 0.32 -1.83 107.32 115.22 3i7h s GLY 325 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.69 3i7h s GLY 325 CO 0.06 1.74 -0.11 -0.45 0.00 0.00 0.00 173.10 174.34 3i7h s SER 326 N 1.32 2.73 0.00 1.64 0.15 -1.26 0.70 113.70 118.97 3i7h s SER 326 Ca 0.34 -1.09 0.00 0.00 0.70 0.00 0.00 55.95 55.90 3i7h s SER 326 Cb -0.15 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 3i7h s SER 326 CO 0.08 -0.22 0.00 -1.14 1.20 0.00 0.00 173.24 173.16 3i7h n ARG 327 N -0.48 0.98 0.00 5.44 0.63 -1.26 -1.97 116.66 120.00 3i7h n ARG 327 Ca -0.07 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 56.98 3i7h n ARG 327 Cb 0.62 -0.67 0.05 0.00 0.45 0.00 0.00 32.46 32.91 3i7h n ARG 327 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3i7h n LEU 328 N -1.22 1.64 0.00 6.15 4.77 -1.26 -3.85 117.00 123.22 3i7h n LEU 328 Ca 0.00 -0.60 -0.03 0.00 -0.03 0.00 0.00 56.01 55.35 3i7h n LEU 328 Cb 0.17 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3i7h n LEU 328 CO 0.00 0.32 0.04 0.61 -1.33 0.00 0.00 177.39 177.02 3i7h n GLY 329 N 1.42 2.86 3.76 -0.72 0.00 -1.26 -2.98 105.19 108.28 3i7h n GLY 329 Ca 0.09 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 3i7h n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i7h s ASP 330 N -1.40 7.21 0.95 1.61 1.01 -1.26 -4.55 116.67 120.23 3i7h s ASP 330 Ca 0.05 2.32 -0.15 0.00 0.71 0.00 0.00 52.55 55.48 3i7h s ASP 330 Cb -0.00 -2.63 0.17 0.00 1.01 0.00 0.00 42.92 41.47 3i7h s ASP 330 CO 0.04 -0.19 1.24 -0.44 0.21 0.00 0.00 175.17 176.02 3i7h s SER 331 N -0.83 3.24 -0.16 0.27 0.01 -0.14 -4.67 113.70 111.40 3i7h s SER 331 Ca 0.45 0.54 -0.30 0.00 1.31 0.00 0.00 55.95 57.94 3i7h s SER 331 Cb -0.33 -0.79 0.14 0.00 0.21 0.00 0.00 66.02 65.25 3i7h s SER 331 CO 0.42 -2.68 1.07 0.00 0.41 0.00 0.00 173.24 172.47 3i7h s GLN 332 N -5.67 0.49 0.03 12.44 -2.07 -0.76 0.25 119.66 124.38 3i7h s GLN 332 Ca 0.69 0.02 -0.18 0.00 -1.82 0.00 0.00 55.36 54.08 3i7h s GLN 332 Cb -0.08 0.23 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 3i7h s GLN 332 CO 0.52 -0.17 0.51 -0.51 -1.32 0.00 0.00 175.29 174.32 3i7h s LEU 333 N -1.43 4.49 0.00 2.60 1.02 0.12 -0.07 118.68 125.42 3i7h s LEU 333 Ca 0.03 1.13 0.00 0.00 0.02 0.00 0.00 54.13 55.31 3i7h s LEU 333 Cb -0.01 -2.78 -0.00 0.00 0.02 0.00 0.00 46.19 43.42 3i7h s LEU 333 CO -0.02 0.27 -0.01 -0.69 0.02 0.00 0.00 176.35 175.91 3i7h s VAL 334 N -0.94 0.07 -0.25 -1.59 1.01 0.16 -1.79 120.40 117.07 3i7h s VAL 334 Ca 0.27 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 3i7h s VAL 334 Cb -0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 3i7h s VAL 334 CO 0.16 -0.05 0.10 -0.75 0.00 0.00 0.00 175.10 174.56 3i7h s LYS 335 N -0.22 3.77 -0.09 2.72 2.20 0.71 0.66 119.74 129.50 3i7h s LYS 335 Ca -0.02 -0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 54.90 3i7h s LYS 335 Cb -0.02 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.89 3i7h s LYS 335 CO -0.00 -0.12 0.90 -0.51 -0.36 0.00 0.00 175.35 175.26 3i7h s LEU 336 N 1.47 4.27 0.21 5.43 1.43 0.29 -1.82 118.68 129.95 3i7h s LEU 336 Ca 0.06 1.41 0.07 0.00 -1.03 0.00 0.00 54.13 54.64 3i7h s LEU 336 Cb -0.15 -3.39 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 3i7h s LEU 336 CO 0.05 -0.33 0.10 0.20 0.23 0.00 0.00 176.35 176.60 3i7h s ASN 337 N 1.04 5.18 -0.04 2.29 0.01 0.12 -4.75 114.94 118.79 3i7h s ASN 337 Ca 0.45 -0.31 -0.25 0.00 -0.71 0.00 0.00 52.86 52.03 3i7h s ASN 337 Cb -0.18 -1.23 -0.21 0.00 0.41 0.00 0.00 41.25 40.03 3i7h s ASN 337 CO 0.19 0.03 1.13 0.58 -1.51 0.00 0.00 177.10 177.52 3i7h h VAL 338 N 1.96 1.49 -3.27 1.60 2.07 -1.97 -3.44 116.25 114.68 3i7h h VAL 338 Ca -0.47 -1.57 -0.57 0.00 0.82 0.00 0.00 66.70 64.91 3i7h h VAL 338 Cb 1.22 2.49 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 3i7h h VAL 338 CO 0.61 0.42 -0.02 -1.81 0.02 0.00 0.00 177.57 176.79 3i7h s ASP 339 N -5.99 7.06 -0.50 0.57 1.01 -1.26 -5.02 116.67 112.53 3i7h s ASP 339 Ca -0.16 1.25 -0.29 0.00 0.71 0.00 0.00 52.55 54.06 3i7h s ASP 339 Cb 0.01 -2.37 0.03 0.00 1.01 0.00 0.00 42.92 41.60 3i7h s ASP 339 CO 0.70 0.22 1.22 -0.94 0.21 0.00 0.00 175.17 176.58 3i7h s SER 340 N -0.83 6.50 0.62 0.27 1.04 -1.26 -4.73 113.70 115.30 3i7h s SER 340 Ca 0.30 0.42 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3i7h s SER 340 Cb -0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.38 3i7h s SER 340 CO 0.19 -1.38 0.00 -0.46 0.98 0.00 0.00 173.24 172.57 3i7h n ASN 341 N 8.29 -1.19 -4.04 7.02 6.94 -0.60 -4.65 115.26 127.03 3i7h n ASN 341 Ca 0.12 -0.02 -0.36 0.00 -0.02 0.00 0.00 54.58 54.30 3i7h n ASN 341 Cb 0.49 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.96 3i7h n ASN 341 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3i7h n GLU 342 N -1.21 -0.05 0.00 -3.83 2.13 -1.26 -1.69 120.64 114.73 3i7h n GLU 342 Ca 0.00 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3i7h n GLU 342 Cb 0.00 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.62 3i7h n GLU 342 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3i7h n GLN 343 N 2.05 0.00 -2.10 5.31 3.00 -1.26 -2.75 117.38 121.63 3i7h n GLN 343 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3i7h n GLN 343 Cb 0.58 -2.99 0.00 0.00 0.00 0.00 0.00 30.24 27.83 3i7h n GLN 343 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i7h n GLY 344 N -1.29 0.90 3.57 1.08 0.00 -0.68 -5.06 105.19 103.71 3i7h n GLY 344 Ca 0.00 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3i7h n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7h s SER 345 N -2.87 5.13 0.00 1.61 0.15 -1.11 -4.90 113.70 111.71 3i7h s SER 345 Ca 0.00 -0.03 0.28 0.00 0.70 0.00 0.00 55.95 56.90 3i7h s SER 345 Cb 0.00 -1.81 1.03 0.00 -1.71 0.00 0.00 66.02 63.53 3i7h s SER 345 CO 0.00 0.19 1.74 -1.22 1.20 0.00 0.00 173.24 175.15 3i7h n TYR 346 N 3.37 0.00 -4.05 3.44 4.02 0.12 -1.55 117.16 122.52 3i7h n TYR 346 Ca -0.17 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.37 3i7h n TYR 346 Cb 0.52 -0.17 -0.11 0.00 -0.02 0.00 0.00 39.34 39.56 3i7h n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i7h s VAL 347 N -2.52 4.46 -0.07 -0.72 1.01 -1.11 0.14 120.40 121.60 3i7h s VAL 347 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3i7h s VAL 347 Cb 0.20 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.58 3i7h s VAL 347 CO 0.50 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 175.26 3i7h s VAL 348 N 0.66 0.97 0.15 2.92 1.01 -0.76 -4.93 120.40 120.43 3i7h s VAL 348 Ca 0.02 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3i7h s VAL 348 Cb -0.13 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.25 3i7h s VAL 348 CO 0.02 0.33 1.04 0.00 0.00 0.00 0.00 175.10 176.49 3i7h s ALA 349 N 0.92 3.32 -0.25 5.51 0.00 -1.26 -0.20 121.76 129.79 3i7h s ALA 349 Ca -0.10 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 3i7h s ALA 349 Cb -0.15 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.52 3i7h s ALA 349 CO 0.01 -0.13 -0.27 -1.33 0.00 0.00 0.00 175.76 174.04 3i7h n MET 350 N 2.58 0.57 -3.84 0.00 2.81 -0.74 -4.86 117.12 113.65 3i7h n MET 350 Ca 0.03 0.19 -0.12 0.00 -1.81 0.00 0.00 57.70 55.98 3i7h n MET 350 Cb 0.47 -1.45 -0.11 0.00 -0.71 0.00 0.00 33.22 31.43 3i7h n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i7h s GLU 351 N -2.47 0.35 -0.05 0.03 2.12 -0.95 -4.98 118.70 112.74 3i7h s GLU 351 Ca -0.34 -0.05 0.06 0.00 0.36 0.00 0.00 54.97 55.00 3i7h s GLU 351 Cb 0.11 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 3i7h s GLU 351 CO 0.50 -0.07 -0.25 0.99 -0.54 0.00 0.00 175.26 175.89 3i7h s THR 352 N -0.61 2.08 -0.22 -1.70 2.01 -1.26 0.14 115.64 116.08 3i7h s THR 352 Ca -0.07 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.87 3i7h s THR 352 Cb -0.04 -1.74 0.03 0.00 0.01 0.00 0.00 72.50 70.76 3i7h s THR 352 CO 0.01 0.57 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.01 3i7h s PHE 353 N -0.25 2.97 -0.33 4.92 0.40 0.68 -4.91 117.98 121.47 3i7h s PHE 353 Ca -0.01 -1.79 -0.40 0.00 -0.60 0.00 0.00 56.93 54.14 3i7h s PHE 353 Cb -0.13 -1.96 -0.15 0.00 0.51 0.00 0.00 43.02 41.29 3i7h s PHE 353 CO 0.03 -0.80 1.85 2.41 0.70 0.00 0.00 175.22 179.40 3i7h n THR 354 N 4.59 0.25 -4.53 0.64 -1.04 -1.26 -0.97 114.28 111.96 3i7h n THR 354 Ca -0.18 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.45 3i7h n THR 354 Cb 0.47 -1.20 -0.17 0.00 -1.82 0.00 0.00 70.33 67.62 3i7h n THR 354 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3i7h s ASN 355 N 4.38 2.65 0.00 8.00 3.04 -1.26 -4.87 114.94 126.89 3i7h s ASN 355 Ca 1.03 -0.48 0.07 0.00 0.04 0.00 0.00 52.86 53.51 3i7h s ASN 355 Cb -1.10 -1.20 0.41 0.00 -1.54 0.00 0.00 41.25 37.82 3i7h s ASN 355 CO 0.64 0.04 0.87 0.18 -3.04 0.00 0.00 177.10 175.78 3i7h n LEU 356 N 4.16 0.00 0.00 3.21 4.77 -1.26 -4.65 117.00 123.23 3i7h n LEU 356 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3i7h n LEU 356 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3i7h n LEU 356 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3i7h n GLY 357 N -0.01 -0.93 3.67 -0.72 0.00 -1.26 -3.35 105.19 102.59 3i7h n GLY 357 Ca 0.05 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 3i7h n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i7h s PRO 358 N 0.00 4.20 -0.73 1.61 0.02 -1.17 -2.60 135.00 136.34 3i7h s PRO 358 Ca 0.00 2.18 -0.26 0.00 0.02 0.00 0.00 61.00 62.94 3i7h s PRO 358 Cb 0.00 -3.82 0.00 0.00 0.02 0.00 0.00 34.50 30.70 3i7h s PRO 358 CO 0.00 -0.77 1.63 0.42 -0.33 0.00 0.00 177.00 177.94 3i7h s ILE 359 N 3.40 3.55 -0.03 2.83 1.01 -0.19 -2.61 121.20 129.16 3i7h s ILE 359 Ca 0.72 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 61.28 3i7h s ILE 359 Cb -0.35 -4.40 -0.27 0.00 0.01 0.00 0.00 42.46 37.46 3i7h s ILE 359 CO 0.30 -1.35 1.00 0.58 0.00 0.00 0.00 174.94 175.47 3i7h h VAL 360 N 6.61 1.49 -3.47 2.92 2.07 -1.18 -3.41 116.25 121.28 3i7h h VAL 360 Ca -0.18 -2.24 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 3i7h h VAL 360 Cb 1.09 2.88 -0.13 0.00 -1.52 0.00 0.00 31.29 33.61 3i7h h VAL 360 CO 1.26 0.64 -0.13 -0.62 0.02 0.00 0.00 177.57 178.74 3i7h s ASP 361 N -6.76 -0.17 0.19 0.57 2.15 -1.24 -4.66 116.67 106.76 3i7h s ASP 361 Ca -0.14 -0.38 -0.17 0.00 0.43 0.00 0.00 52.55 52.29 3i7h s ASP 361 Cb 0.02 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.11 3i7h s ASP 361 CO 0.81 -0.83 0.50 0.00 -0.17 0.00 0.00 175.17 175.48 3i7h s MET 362 N -3.81 1.35 -0.03 4.34 0.23 -1.26 -0.74 119.30 119.38 3i7h s MET 362 Ca 0.03 -0.88 -0.15 0.00 -1.03 0.00 0.00 55.69 53.67 3i7h s MET 362 Cb 0.02 0.51 0.03 0.00 -1.53 0.00 0.00 34.83 33.86 3i7h s MET 362 CO -0.12 -0.57 0.32 0.00 -2.03 0.00 0.00 175.02 172.62 3i7h s VAL 364 N -1.08 4.68 -0.10 0.00 1.01 -1.26 -2.19 120.40 121.46 3i7h s VAL 364 Ca -0.11 1.31 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 3i7h s VAL 364 Cb -0.05 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.43 3i7h s VAL 364 CO 0.04 0.54 0.25 -0.69 0.00 0.00 0.00 175.10 175.23 3i7h s VAL 365 N -1.04 -0.04 -1.14 2.92 1.01 -0.65 -4.97 120.40 116.50 3i7h s VAL 365 Ca 0.30 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 3i7h s VAL 365 Cb -0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 3i7h s VAL 365 CO 0.20 0.06 1.94 0.47 0.00 0.00 0.00 175.10 177.77 3i7h n ASP 366 N 4.14 3.48 0.45 3.32 9.92 -1.26 -2.62 116.55 133.98 3i7h n ASP 366 Ca -0.24 -2.77 -0.18 0.00 -0.53 0.00 0.00 54.79 51.07 3i7h n ASP 366 Cb 0.53 -1.54 -0.08 0.00 -0.64 0.00 0.00 41.12 39.39 3i7h n ASP 366 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3i7h h LEU 367 N 13.99 -0.97 -4.02 0.64 3.38 -1.88 -3.04 115.31 123.41 3i7h h LEU 367 Ca 0.40 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 58.08 3i7h h LEU 367 Cb 0.79 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.67 3i7h h LEU 367 CO 1.62 -0.67 0.10 -0.62 0.09 0.00 0.00 178.44 178.96 3i7h n GLU 368 N -5.23 2.02 -3.68 1.13 -0.58 -1.26 -4.81 120.64 108.22 3i7h n GLU 368 Ca -0.14 -1.52 -0.20 0.00 -0.42 0.00 0.00 57.16 54.87 3i7h n GLU 368 Cb 0.45 -1.88 -0.02 0.00 -0.57 0.00 0.00 31.44 29.42 3i7h n GLU 368 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3i7h n ARG 369 N 1.38 -0.78 -5.27 3.49 1.74 -1.15 -4.96 116.66 111.12 3i7h n ARG 369 Ca 0.39 -0.12 -0.31 0.00 -0.77 0.00 0.00 57.85 57.04 3i7h n ARG 369 Cb 0.67 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 30.78 3i7h n ARG 369 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i7h s GLN 370 N -5.76 2.08 0.00 5.56 -0.21 -1.26 -5.00 119.66 115.06 3i7h s GLN 370 Ca 0.14 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.61 3i7h s GLN 370 Cb -0.08 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.94 3i7h s GLN 370 CO 0.49 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.60 3i7h n GLY 371 N 2.49 0.00 1.09 3.09 0.00 -1.26 -4.74 105.19 105.86 3i7h n GLY 371 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 3i7h n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7h n GLN 372 N 0.95 0.77 -4.91 1.61 -0.00 -1.24 -4.35 117.38 110.21 3i7h n GLN 372 Ca 0.00 -0.84 -0.31 0.00 -0.00 0.00 0.00 57.00 55.85 3i7h n GLN 372 Cb 0.00 -0.10 -0.17 0.00 -0.00 0.00 0.00 30.24 29.98 3i7h n GLN 372 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3i7h s GLY 373 N -2.83 1.26 0.10 2.61 0.00 -1.24 -4.33 107.32 102.88 3i7h s GLY 373 Ca 0.17 -0.93 0.10 0.00 0.00 0.00 0.00 44.72 44.06 3i7h s GLY 373 CO 0.11 -0.14 -0.27 1.20 0.00 0.00 0.00 173.10 174.01 3i7h s GLN 374 N 0.58 1.56 -0.08 2.90 -0.21 -1.08 -4.39 119.66 118.94 3i7h s GLN 374 Ca -0.14 -1.26 0.04 0.00 0.02 0.00 0.00 55.36 54.02 3i7h s GLN 374 Cb -0.17 -1.93 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 3i7h s GLN 374 CO 0.04 0.47 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.32 3i7h s LEU 375 N -1.74 2.35 -0.10 2.90 0.20 0.12 -1.63 118.68 120.78 3i7h s LEU 375 Ca 0.13 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.57 3i7h s LEU 375 Cb -0.10 -1.47 0.00 0.00 -0.43 0.00 0.00 46.19 44.19 3i7h s LEU 375 CO 0.04 0.23 -0.21 0.68 -0.29 0.00 0.00 176.35 176.80 3i7h s VAL 376 N -0.05 1.86 0.05 1.68 -7.23 -0.93 0.80 120.40 116.58 3i7h s VAL 376 Ca -0.05 -0.89 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 3i7h s VAL 376 Cb -0.14 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3i7h s VAL 376 CO 0.05 0.51 -0.23 0.42 -0.31 0.00 0.00 175.10 175.54 3i7h s THR 377 N 0.49 1.89 -0.19 5.32 -4.23 -0.55 -1.76 115.64 116.62 3i7h s THR 377 Ca -0.16 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 3i7h s THR 377 Cb -0.17 -1.63 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 3i7h s THR 377 CO 0.06 0.26 0.91 0.00 -0.54 0.00 0.00 174.62 175.32 3i7h s SER 379 N 1.19 0.22 0.00 0.00 0.01 -0.55 -0.68 113.70 113.89 3i7h s SER 379 Ca 0.41 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3i7h s SER 379 Cb -0.16 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.12 3i7h s SER 379 CO 0.11 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.20 3i7h n GLY 380 N 2.20 -0.28 3.18 3.44 0.00 -1.07 0.03 105.19 112.68 3i7h n GLY 380 Ca -0.19 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 3i7h n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7h s ALA 381 N -1.01 1.03 0.00 4.61 0.00 -1.16 -4.67 121.76 120.56 3i7h s ALA 381 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.53 3i7h s ALA 381 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 3i7h s ALA 381 CO 0.00 -0.31 0.00 1.19 0.00 0.00 0.00 175.76 176.64 3i7h n PHE 382 N -0.10 0.00 0.89 0.00 0.99 -1.26 -1.42 117.46 116.56 3i7h n PHE 382 Ca -0.10 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.41 3i7h n PHE 382 Cb 0.62 0.06 0.36 0.00 -1.00 0.00 0.00 39.48 39.51 3i7h n PHE 382 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.76 177.12 3i7h n LYS 383 N 7.01 0.45 0.00 -1.08 2.85 -1.26 -0.98 118.16 125.16 3i7h n LYS 383 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 3i7h n LYS 383 Cb 0.00 -1.42 0.03 0.00 -0.65 0.00 0.00 35.03 32.99 3i7h n LYS 383 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3i7h n GLU 384 N -0.92 0.93 -1.81 -1.58 4.71 -0.51 -4.18 120.64 117.29 3i7h n GLU 384 Ca 0.09 -0.75 -0.33 0.00 -0.01 0.00 0.00 57.16 56.16 3i7h n GLU 384 Cb 0.04 -1.48 0.04 0.00 -1.01 0.00 0.00 31.44 29.03 3i7h n GLU 384 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3i7h s GLY 385 N -2.58 2.17 0.20 0.62 0.00 -0.15 -4.39 107.32 103.18 3i7h s GLY 385 Ca 0.17 0.54 -0.23 0.00 0.00 0.00 0.00 44.72 45.20 3i7h s GLY 385 CO 0.62 0.89 0.93 -1.35 0.00 0.00 0.00 173.10 174.18 3i7h s SER 386 N -2.58 -0.14 0.11 1.64 1.04 0.10 -0.86 113.70 113.01 3i7h s SER 386 Ca 0.67 -0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.59 3i7h s SER 386 Cb -0.20 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3i7h s SER 386 CO 0.40 -1.04 0.15 -0.76 0.98 0.00 0.00 173.24 172.97 3i7h s LEU 387 N -3.03 3.99 -0.08 2.42 1.43 -0.36 -1.48 118.68 121.56 3i7h s LEU 387 Ca 0.14 0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.31 3i7h s LEU 387 Cb -0.03 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.58 3i7h s LEU 387 CO 0.04 0.13 -0.18 -0.13 0.23 0.00 0.00 176.35 176.44 3i7h s ARG 388 N -2.72 2.37 -0.22 1.70 1.81 -0.71 -0.68 118.95 120.50 3i7h s ARG 388 Ca 0.32 -0.65 -0.08 0.00 -1.72 0.00 0.00 55.73 53.60 3i7h s ARG 388 Cb -0.12 -1.85 -0.04 0.00 -0.45 0.00 0.00 34.95 32.50 3i7h s ARG 388 CO 0.24 0.10 0.09 0.42 -0.68 0.00 0.00 175.30 175.47 3i7h s ILE 389 N 0.50 4.70 -0.23 1.52 1.09 -0.67 -1.48 121.20 126.63 3i7h s ILE 389 Ca -0.17 -0.05 -0.02 0.00 -1.10 0.00 0.00 60.65 59.31 3i7h s ILE 389 Cb -0.17 -3.17 0.02 0.00 -1.06 0.00 0.00 42.46 38.08 3i7h s ILE 389 CO 0.06 0.38 -0.08 -0.63 -0.10 0.00 0.00 174.94 174.58 3i7h s ILE 390 N 1.04 2.87 0.09 2.92 1.09 0.24 -1.13 121.20 128.30 3i7h s ILE 390 Ca 0.05 -0.88 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 3i7h s ILE 390 Cb -0.14 -2.38 -0.04 0.00 -1.06 0.00 0.00 42.46 38.84 3i7h s ILE 390 CO 0.03 0.31 -0.14 -0.60 -0.10 0.00 0.00 174.94 174.44 3i7h s ARG 391 N 1.36 2.04 0.05 2.79 3.52 -0.25 0.13 118.95 128.60 3i7h s ARG 391 Ca 0.02 -1.04 -0.13 0.00 -0.13 0.00 0.00 55.73 54.45 3i7h s ARG 391 Cb -0.15 -2.24 -0.06 0.00 -1.56 0.00 0.00 34.95 30.94 3i7h s ARG 391 CO -0.06 0.51 0.43 1.21 -0.81 0.00 0.00 175.30 176.59 3i7h s ASN 392 N -1.96 6.76 0.06 -2.12 3.84 -1.26 -0.79 114.94 119.46 3i7h s ASN 392 Ca 0.19 0.93 0.00 0.00 0.21 0.00 0.00 52.86 54.18 3i7h s ASN 392 Cb -0.11 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 3i7h s ASN 392 CO 0.10 0.23 0.00 0.61 -2.79 0.00 0.00 177.10 175.26 3i7h n GLY 393 N 1.32 -2.08 3.81 1.21 0.00 -0.91 -4.88 105.19 103.65 3i7h n GLY 393 Ca -0.10 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3i7h n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7h s ILE 394 N -2.23 4.83 0.44 -0.61 -1.09 0.16 -4.50 121.20 118.19 3i7h s ILE 394 Ca 0.00 1.13 0.06 0.00 -2.23 0.00 0.00 60.65 59.61 3i7h s ILE 394 Cb 0.00 -3.86 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 3i7h s ILE 394 CO 0.00 0.54 0.12 -0.83 -1.23 0.00 0.00 174.94 173.54 3i7h s GLY 395 N -0.95 2.49 -0.05 6.18 0.00 -1.26 0.12 107.32 113.84 3i7h s GLY 395 Ca 0.28 -1.88 -0.03 0.00 0.00 0.00 0.00 44.72 43.09 3i7h s GLY 395 CO 0.17 -2.01 0.13 -0.26 0.00 0.00 0.00 173.10 171.13 3i7h s ILE 396 N -2.68 -0.02 -0.10 0.90 -5.25 -1.26 -2.33 121.20 110.45 3i7h s ILE 396 Ca 0.34 0.09 -0.10 0.00 -0.99 0.00 0.00 60.65 59.99 3i7h s ILE 396 Cb 0.05 -0.20 -0.05 0.00 2.95 0.00 0.00 42.46 45.21 3i7h s ILE 396 CO 0.18 0.04 0.22 -1.00 -1.79 0.00 0.00 174.94 172.59 3i7h s HIS 397 N 0.59 3.61 -0.18 1.37 3.76 -1.26 -4.95 115.29 118.23 3i7h s HIS 397 Ca -0.04 0.63 -0.09 0.00 -0.15 0.00 0.00 55.06 55.41 3i7h s HIS 397 Cb -0.06 -2.08 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 3i7h s HIS 397 CO -0.03 0.64 0.13 -1.21 -0.85 0.00 0.00 174.74 173.42 3i7h s GLU 398 N -0.80 3.99 0.00 1.40 2.02 -1.26 -3.69 118.70 120.35 3i7h s GLU 398 Ca 0.17 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.96 3i7h s GLU 398 Cb -0.13 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.74 3i7h s GLU 398 CO 0.06 0.43 0.00 0.72 0.02 0.00 0.00 175.26 176.49 3i7h n HIS 399 N 3.11 0.00 -4.21 1.61 8.25 -1.13 -5.02 115.22 117.83 3i7h n HIS 399 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 3i7h n HIS 399 Cb 0.53 -0.09 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 3i7h n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i7h s ALA 400 N -3.17 3.15 -0.12 -1.41 0.00 -1.26 -5.05 121.76 113.90 3i7h s ALA 400 Ca 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 3i7h s ALA 400 Cb 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 23.12 22.20 3i7h s ALA 400 CO 0.00 0.52 0.08 0.45 0.00 0.00 0.00 175.76 176.81 3i7h s SER 401 N -2.77 1.84 -0.06 0.00 0.15 -1.26 -3.80 113.70 107.80 3i7h s SER 401 Ca 0.26 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.63 3i7h s SER 401 Cb -0.10 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.00 3i7h s SER 401 CO 0.17 -0.31 -0.19 -0.63 1.20 0.00 0.00 173.24 173.48 3i7h s ILE 402 N 2.15 2.57 -0.01 6.45 1.09 -1.09 -4.99 121.20 127.38 3i7h s ILE 402 Ca 0.03 -0.88 -0.17 0.00 -1.10 0.00 0.00 60.65 58.53 3i7h s ILE 402 Cb -0.14 -1.98 -0.06 0.00 -1.06 0.00 0.00 42.46 39.22 3i7h s ILE 402 CO -0.07 0.57 0.47 -1.81 -0.10 0.00 0.00 174.94 174.01 3i7h s ASP 403 N -0.34 6.84 -0.39 3.58 -0.00 -1.26 -0.55 116.67 124.56 3i7h s ASP 403 Ca 0.02 1.00 -0.03 0.00 -0.00 0.00 0.00 52.55 53.55 3i7h s ASP 403 Cb -0.13 -2.29 0.22 0.00 -0.00 0.00 0.00 42.92 40.72 3i7h s ASP 403 CO 0.02 0.22 1.02 -0.11 -0.00 0.00 0.00 175.17 176.32 3i7h n LEU 404 N 2.33 -1.97 -4.35 1.23 7.94 0.98 -4.96 117.00 118.20 3i7h n LEU 404 Ca -0.11 -1.59 -0.35 0.00 -1.11 0.00 0.00 56.01 52.85 3i7h n LEU 404 Cb 0.52 0.61 0.08 0.00 0.53 0.00 0.00 43.42 45.15 3i7h n LEU 404 CO 0.40 1.43 -0.30 -2.65 -1.11 0.00 0.00 177.39 175.16 3i7h n PRO 405 N 2.51 0.04 -2.86 1.96 -0.02 -1.23 -3.97 135.00 131.43 3i7h n PRO 405 Ca 0.12 0.05 -0.18 0.00 -2.02 0.00 0.00 63.50 61.46 3i7h n PRO 405 Cb 0.63 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 3i7h n PRO 405 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7h n GLY 406 N 2.01 -0.50 3.74 -1.23 0.00 -1.06 -4.96 105.19 103.20 3i7h n GLY 406 Ca 0.07 0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3i7h n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7h s ILE 407 N -2.82 2.09 -0.05 -0.61 1.01 -1.26 -4.40 121.20 115.17 3i7h s ILE 407 Ca 0.19 0.07 0.09 0.00 0.00 0.00 0.00 60.65 61.00 3i7h s ILE 407 Cb -0.10 -3.03 0.16 0.00 0.01 0.00 0.00 42.46 39.50 3i7h s ILE 407 CO 0.24 -0.01 1.08 0.29 0.00 0.00 0.00 174.94 176.54 3i7h n LYS 408 N -1.32 0.47 0.00 2.79 5.02 0.65 -4.99 118.16 120.77 3i7h n LYS 408 Ca 0.12 -1.70 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 3i7h n LYS 408 Cb 0.46 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.67 3i7h n LYS 408 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7h n GLY 409 N -0.43 3.41 3.30 0.72 0.00 -1.19 -4.88 105.19 106.11 3i7h n GLY 409 Ca 0.06 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 3i7h n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i7h s LEU 410 N 0.00 0.45 0.00 0.99 2.34 -1.26 -1.02 118.68 120.18 3i7h s LEU 410 Ca 0.00 0.77 0.03 0.00 0.06 0.00 0.00 54.13 55.00 3i7h s LEU 410 Cb 0.00 1.41 -0.01 0.00 -0.56 0.00 0.00 46.19 47.03 3i7h s LEU 410 CO 0.00 -0.17 -0.11 0.26 -1.06 0.00 0.00 176.35 175.27 3i7h s TRP 411 N 0.09 0.95 0.85 3.48 0.51 -1.25 -4.68 118.94 118.90 3i7h s TRP 411 Ca -0.01 -0.23 -0.14 0.00 -2.12 0.00 0.00 56.10 53.60 3i7h s TRP 411 Cb -0.03 -0.60 0.22 0.00 -0.81 0.00 0.00 33.47 32.25 3i7h s TRP 411 CO 0.01 -0.01 0.59 -0.35 -0.51 0.00 0.00 176.95 176.68 3i7h n PRO 412 N 2.57 -3.22 -3.15 4.98 -0.04 -1.26 -3.58 135.00 131.30 3i7h n PRO 412 Ca -0.15 -0.97 0.06 0.00 -0.04 0.00 0.00 63.50 62.40 3i7h n PRO 412 Cb 0.56 -1.11 -0.01 0.00 -0.04 0.00 0.00 33.50 32.91 3i7h n PRO 412 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i7h s LEU 413 N 0.00 -0.08 0.10 1.53 2.96 -0.75 -4.66 118.68 117.78 3i7h s LEU 413 Ca 0.42 0.02 -0.24 0.00 -0.22 0.00 0.00 54.13 54.12 3i7h s LEU 413 Cb -0.06 1.06 -0.07 0.00 0.50 0.00 0.00 46.19 47.62 3i7h s LEU 413 CO 0.34 -0.01 0.72 -0.60 -1.32 0.00 0.00 176.35 175.48 3i7h s ARG 414 N 2.99 4.46 -0.68 1.98 3.52 -1.26 -0.11 118.95 129.85 3i7h s ARG 414 Ca 0.21 1.02 -0.01 0.00 -0.13 0.00 0.00 55.73 56.82 3i7h s ARG 414 Cb -0.02 -3.29 0.42 0.00 -1.56 0.00 0.00 34.95 30.50 3i7h s ARG 414 CO -0.18 0.49 1.91 0.45 -0.81 0.00 0.00 175.30 177.16 3i7h n SER 415 N 2.05 7.25 -3.59 -2.12 2.88 -1.26 -4.84 113.62 113.98 3i7h n SER 415 Ca -0.06 -3.80 -0.10 0.00 -1.33 0.00 0.00 58.87 53.59 3i7h n SER 415 Cb 0.50 -0.92 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 3i7h n SER 415 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3i7h s ASP 416 N -1.86 -0.38 -0.06 -3.46 3.68 -1.26 -5.04 116.67 108.29 3i7h s ASP 416 Ca 0.59 0.50 0.01 0.00 2.13 0.00 0.00 52.55 55.78 3i7h s ASP 416 Cb 0.47 0.43 0.09 0.00 -1.45 0.00 0.00 42.92 42.47 3i7h s ASP 416 CO -0.14 -0.29 1.07 -0.81 0.13 0.00 0.00 175.17 175.13 3i7h n PRO 417 N 1.09 1.22 0.11 4.34 -0.04 -1.26 -4.34 135.00 136.11 3i7h n PRO 417 Ca -0.11 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 3i7h n PRO 417 Cb 0.57 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 3i7h n PRO 417 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7h n ASN 418 N 0.25 -0.12 -4.49 3.54 3.02 -1.26 -5.03 115.26 111.17 3i7h n ASN 418 Ca 0.08 0.36 -0.43 0.00 -0.03 0.00 0.00 54.58 54.56 3i7h n ASN 418 Cb 0.63 0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 40.01 3i7h n ASN 418 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i7h s ARG 419 N -1.71 3.16 0.00 3.52 1.70 -1.26 -4.96 118.95 119.39 3i7h s ARG 419 Ca 0.00 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 3i7h s ARG 419 Cb 0.00 -3.96 0.00 0.00 -0.57 0.00 0.00 34.95 30.42 3i7h s ARG 419 CO 0.00 -0.90 0.41 0.39 -1.08 0.00 0.00 175.30 174.12 3i7h n GLU 420 N 5.80 0.55 -2.32 3.89 1.02 -1.26 -4.15 120.64 124.17 3i7h n GLU 420 Ca -0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 3i7h n GLU 420 Cb 0.48 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 3i7h n GLU 420 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3i7h n THR 421 N 0.47 5.26 -0.91 2.62 -2.24 -1.26 -4.53 114.28 113.68 3i7h n THR 421 Ca 0.00 -4.88 -0.35 0.00 -2.27 0.00 0.00 64.05 56.54 3i7h n THR 421 Cb 0.20 -2.02 -0.04 0.00 -2.10 0.00 0.00 70.33 66.37 3i7h n THR 421 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3i7h n TYR 422 N 1.75 0.29 -0.44 4.78 4.02 -1.26 -3.99 117.16 122.31 3i7h n TYR 422 Ca 0.50 0.64 0.02 0.00 -0.01 0.00 0.00 57.90 59.05 3i7h n TYR 422 Cb 0.28 -1.27 0.02 0.00 -0.02 0.00 0.00 39.34 38.35 3i7h n TYR 422 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3i7h n ASP 423 N 0.97 1.60 -3.98 7.72 3.85 -0.60 -4.02 116.55 122.09 3i7h n ASP 423 Ca 0.12 -1.99 -0.11 0.00 -0.71 0.00 0.00 54.79 52.11 3i7h n ASP 423 Cb 0.06 -0.08 -0.12 0.00 -1.35 0.00 0.00 41.12 39.64 3i7h n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3i7h s THR 424 N -1.06 0.22 -0.00 2.12 2.01 0.84 0.53 115.64 120.29 3i7h s THR 424 Ca 0.05 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 3i7h s THR 424 Cb 0.04 -0.31 -0.00 0.00 0.01 0.00 0.00 72.50 72.25 3i7h s THR 424 CO 0.00 -0.34 0.02 -0.22 -0.69 0.00 0.00 174.62 173.40 3i7h s LEU 425 N -1.13 1.95 -0.09 4.42 2.96 -1.26 -1.81 118.68 123.73 3i7h s LEU 425 Ca -0.10 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 3i7h s LEU 425 Cb -0.08 0.11 0.02 0.00 0.50 0.00 0.00 46.19 46.75 3i7h s LEU 425 CO -0.00 -0.08 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.19 3i7h s VAL 426 N -0.32 0.90 -0.10 1.68 1.01 -1.23 -2.45 120.40 119.88 3i7h s VAL 426 Ca -0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 3i7h s VAL 426 Cb -0.02 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3i7h s VAL 426 CO -0.00 0.33 0.37 -0.76 0.00 0.00 0.00 175.10 175.05 3i7h s LEU 427 N 1.41 4.32 -0.10 3.92 1.43 -1.19 -3.79 118.68 124.67 3i7h s LEU 427 Ca -0.02 0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 53.62 3i7h s LEU 427 Cb -0.13 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3i7h s LEU 427 CO -0.04 0.14 0.51 -0.55 0.23 0.00 0.00 176.35 176.64 3i7h s SER 428 N 0.06 6.74 0.44 2.29 0.15 -0.19 -3.46 113.70 119.73 3i7h s SER 428 Ca 0.21 0.88 0.03 0.00 0.70 0.00 0.00 55.95 57.78 3i7h s SER 428 Cb -0.15 -2.30 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3i7h s SER 428 CO 0.08 0.00 0.28 0.49 1.20 0.00 0.00 173.24 175.29 3i7h n PHE 429 N 3.57 -0.48 -0.02 3.44 3.01 -1.07 -0.25 117.46 125.65 3i7h n PHE 429 Ca -0.07 -1.90 -0.01 0.00 1.01 0.00 0.00 57.45 56.49 3i7h n PHE 429 Cb 0.52 -0.35 -0.01 0.00 -0.01 0.00 0.00 39.48 39.63 3i7h n PHE 429 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3i7h n VAL 430 N -1.45 -0.03 -2.06 -4.37 0.31 -1.26 -2.95 118.33 106.50 3i7h n VAL 430 Ca -0.04 0.97 0.05 0.00 -0.01 0.00 0.00 64.34 65.31 3i7h n VAL 430 Cb 0.51 -1.29 0.10 0.00 -0.91 0.00 0.00 33.84 32.25 3i7h n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7h n GLY 431 N -1.01 2.78 3.29 2.92 0.00 -1.26 -4.56 105.19 107.34 3i7h n GLY 431 Ca 0.00 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 3i7h n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i7h n GLN 432 N -0.24 0.55 -3.15 1.61 6.02 -1.15 -3.25 117.38 117.77 3i7h n GLN 432 Ca 0.11 -3.39 0.04 0.00 -0.01 0.00 0.00 57.00 53.75 3i7h n GLN 432 Cb 0.93 1.99 -0.00 0.00 1.02 0.00 0.00 30.24 34.17 3i7h n GLN 432 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i7h s THR 433 N -3.11 -0.80 -0.12 5.09 2.01 -1.16 -2.60 115.64 114.95 3i7h s THR 433 Ca 0.23 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.13 3i7h s THR 433 Cb 0.01 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 3i7h s THR 433 CO 0.17 0.00 0.23 -0.13 -0.69 0.00 0.00 174.62 174.19 3i7h s ARG 434 N 2.81 3.83 0.16 4.92 0.52 -1.22 -4.32 118.95 125.63 3i7h s ARG 434 Ca 0.15 0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.42 3i7h s ARG 434 Cb -0.08 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 3i7h s ARG 434 CO -0.24 0.57 0.14 0.08 0.02 0.00 0.00 175.30 175.87 3i7h s VAL 435 N -0.51 4.53 0.00 3.52 1.01 -1.26 -3.20 120.40 124.49 3i7h s VAL 435 Ca 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3i7h s VAL 435 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3i7h s VAL 435 CO 0.05 -0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.24 3i7h n LEU 436 N -0.29 0.00 -3.53 3.92 4.77 -1.02 -3.11 117.00 117.73 3i7h n LEU 436 Ca -0.08 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.82 3i7h n LEU 436 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 3i7h n LEU 436 CO 0.44 0.00 0.75 -0.32 -1.33 0.00 0.00 177.39 176.93 3i7h s MET 437 N 1.14 0.74 -0.23 3.23 1.75 0.03 -4.62 119.30 121.34 3i7h s MET 437 Ca 0.00 -0.28 -0.03 0.00 -1.25 0.00 0.00 55.69 54.13 3i7h s MET 437 Cb 0.00 0.33 0.07 0.00 2.84 0.00 0.00 34.83 38.08 3i7h s MET 437 CO 0.00 -0.32 0.06 -0.51 -0.65 0.00 0.00 175.02 173.60 3i7h s LEU 438 N -2.45 1.32 0.00 4.11 1.43 0.19 -3.31 118.68 119.96 3i7h s LEU 438 Ca 0.06 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 52.18 3i7h s LEU 438 Cb -0.01 -0.62 0.26 0.00 0.03 0.00 0.00 46.19 45.86 3i7h s LEU 438 CO -0.08 -0.35 1.20 -3.20 0.23 0.00 0.00 176.35 174.15 3i7h n ASN 439 N 5.04 0.88 0.00 2.29 4.05 -1.24 -4.89 115.26 121.39 3i7h n ASN 439 Ca -0.07 -1.93 0.00 0.00 0.45 0.00 0.00 54.58 53.03 3i7h n ASN 439 Cb 0.45 -0.10 0.00 0.00 1.23 0.00 0.00 39.78 41.36 3i7h n ASN 439 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i7h n GLY 440 N 0.79 1.85 0.33 8.20 0.00 -1.26 -4.71 105.19 110.40 3i7h n GLY 440 Ca 0.07 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.66 3i7h n GLY 440 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7h n GLU 441 N 0.00 1.67 -3.81 1.61 -0.58 -1.26 -3.53 120.64 114.74 3i7h n GLU 441 Ca 0.00 -0.73 -0.24 0.00 -0.42 0.00 0.00 57.16 55.77 3i7h n GLU 441 Cb 0.00 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.57 3i7h n GLU 441 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i7h s GLU 442 N -1.99 3.46 -0.35 3.49 0.41 -1.26 -5.05 118.70 117.42 3i7h s GLU 442 Ca 0.13 -0.57 -0.01 0.00 -0.41 0.00 0.00 54.97 54.11 3i7h s GLU 442 Cb 0.13 -2.86 0.13 0.00 -1.78 0.00 0.00 34.13 29.75 3i7h s GLU 442 CO 0.44 0.39 0.19 0.08 -0.49 0.00 0.00 175.26 175.87 3i7h s VAL 443 N -1.97 0.35 0.36 2.63 1.01 -1.26 -3.61 120.40 117.91 3i7h s VAL 443 Ca 0.36 -1.61 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 3i7h s VAL 443 Cb -0.10 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3i7h s VAL 443 CO 0.30 -0.89 0.62 -0.70 0.00 0.00 0.00 175.10 174.42 3i7h s GLU 444 N 1.23 3.56 -0.47 2.72 2.12 -1.21 -4.87 118.70 121.77 3i7h s GLU 444 Ca 0.15 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.50 3i7h s GLU 444 Cb -0.21 -2.58 0.28 0.00 0.26 0.00 0.00 34.13 31.87 3i7h s GLU 444 CO -0.09 0.08 0.66 -0.85 -0.54 0.00 0.00 175.26 174.52 3i7h n GLU 445 N -1.58 1.51 -4.31 4.30 0.28 -1.26 -0.79 120.64 118.79 3i7h n GLU 445 Ca -0.02 -3.82 -0.23 0.00 -0.16 0.00 0.00 57.16 52.93 3i7h n GLU 445 Cb 0.55 -1.69 -0.08 0.00 1.43 0.00 0.00 31.44 31.66 3i7h n GLU 445 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3i7h s THR 446 N -2.08 3.35 0.77 3.84 -4.23 -1.18 -4.75 115.64 111.35 3i7h s THR 446 Ca 0.39 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 58.85 3i7h s THR 446 Cb 0.21 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.44 3i7h s THR 446 CO -0.08 -0.36 1.05 -1.84 -0.54 0.00 0.00 174.62 172.85 3i7h n GLU 447 N -0.81 -0.79 -3.93 3.99 0.28 -1.26 -4.17 120.64 113.94 3i7h n GLU 447 Ca -0.07 -1.91 -0.23 0.00 -0.16 0.00 0.00 57.16 54.79 3i7h n GLU 447 Cb 0.59 -0.99 -0.06 0.00 1.43 0.00 0.00 31.44 32.41 3i7h n GLU 447 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3i7h s LEU 448 N 0.00 3.23 -0.27 -1.84 1.02 -1.26 -5.06 118.68 114.50 3i7h s LEU 448 Ca 0.62 -0.93 -0.29 0.00 0.02 0.00 0.00 54.13 53.55 3i7h s LEU 448 Cb -0.02 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.50 3i7h s LEU 448 CO 0.43 -0.55 1.38 -0.04 0.02 0.00 0.00 176.35 177.58 3i7h s MET 449 N -3.98 3.91 0.00 1.70 -1.94 -1.26 -3.47 119.30 114.26 3i7h s MET 449 Ca 0.43 1.38 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 3i7h s MET 449 Cb 0.01 -3.91 0.00 0.00 2.01 0.00 0.00 34.83 32.94 3i7h s MET 449 CO 0.24 -1.14 0.00 0.41 -0.01 0.00 0.00 175.02 174.53 3i7h n GLY 450 N 4.35 1.30 3.17 -0.03 0.00 -1.26 -4.65 105.19 108.08 3i7h n GLY 450 Ca 0.16 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3i7h n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7h s PHE 451 N -2.00 3.34 0.28 1.61 0.40 -1.23 -4.85 117.98 115.53 3i7h s PHE 451 Ca 0.00 -1.94 -0.30 0.00 -0.60 0.00 0.00 56.93 54.09 3i7h s PHE 451 Cb 0.00 -2.37 -0.13 0.00 0.51 0.00 0.00 43.02 41.03 3i7h s PHE 451 CO 0.00 -0.83 1.29 1.33 0.70 0.00 0.00 175.22 177.71 3i7h n VAL 452 N 4.63 1.46 -0.46 -0.44 0.24 -1.26 -4.87 118.33 117.64 3i7h n VAL 452 Ca -0.11 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.83 3i7h n VAL 452 Cb 0.43 -1.39 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 3i7h n VAL 452 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3i7h n ASP 453 N 1.54 0.69 -0.32 -1.34 5.68 -1.26 -4.55 116.55 116.98 3i7h n ASP 453 Ca 0.09 -1.15 0.06 0.00 -0.50 0.00 0.00 54.79 53.30 3i7h n ASP 453 Cb 0.33 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.43 3i7h n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3i7h n ASP 454 N -0.07 2.67 -4.17 -1.12 3.85 -1.26 -2.99 116.55 113.45 3i7h n ASP 454 Ca 0.00 -2.57 -0.29 0.00 -0.71 0.00 0.00 54.79 51.22 3i7h n ASP 454 Cb 0.18 -0.30 -0.16 0.00 -1.35 0.00 0.00 41.12 39.49 3i7h n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i7h s GLN 455 N -2.00 2.27 0.01 0.11 -1.52 -1.20 -4.56 119.66 112.77 3i7h s GLN 455 Ca 0.23 -0.72 -0.30 0.00 -1.95 0.00 0.00 55.36 52.62 3i7h s GLN 455 Cb 0.18 -1.86 -0.06 0.00 -0.22 0.00 0.00 33.01 31.05 3i7h s GLN 455 CO 0.06 0.23 1.48 -1.14 -0.25 0.00 0.00 175.29 175.66 3i7h s GLN 456 N 0.16 4.25 0.20 2.91 0.74 -1.24 -3.84 119.66 122.85 3i7h s GLN 456 Ca -0.09 2.07 -0.14 0.00 0.05 0.00 0.00 55.36 57.24 3i7h s GLN 456 Cb -0.14 -3.61 -0.07 0.00 1.10 0.00 0.00 33.01 30.28 3i7h s GLN 456 CO 0.04 -0.64 0.61 0.99 -0.55 0.00 0.00 175.29 175.75 3i7h s THR 457 N 2.58 4.79 -0.30 -0.34 2.01 -1.26 -2.33 115.64 120.80 3i7h s THR 457 Ca 0.67 0.86 0.08 0.00 0.31 0.00 0.00 61.69 63.61 3i7h s THR 457 Cb -0.33 -3.72 0.19 0.00 0.01 0.00 0.00 72.50 68.65 3i7h s THR 457 CO 0.28 0.12 1.14 0.49 -0.69 0.00 0.00 174.62 175.96 3i7h n PHE 458 N 0.45 0.23 -3.64 4.92 3.72 -0.96 -4.80 117.46 117.39 3i7h n PHE 458 Ca -0.02 -0.63 -0.06 0.00 -0.05 0.00 0.00 57.45 56.69 3i7h n PHE 458 Cb 0.52 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.90 3i7h n PHE 458 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3i7h s PHE 459 N -1.53 -0.36 -0.39 1.38 5.36 -1.23 -4.84 117.98 116.37 3i7h s PHE 459 Ca 0.17 0.84 0.11 0.00 -0.96 0.00 0.00 56.93 57.09 3i7h s PHE 459 Cb 0.12 0.38 0.36 0.00 -0.34 0.00 0.00 43.02 43.54 3i7h s PHE 459 CO 0.06 -0.17 0.91 0.00 -1.46 0.00 0.00 175.22 174.55 3i7h n GLY 461 N 0.18 2.06 3.03 0.00 0.00 -1.23 -4.30 105.19 104.93 3i7h n GLY 461 Ca 0.16 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 44.15 3i7h n GLY 461 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i7h s ASN 462 N -0.90 0.96 0.00 1.61 0.02 -1.26 -3.76 114.94 111.61 3i7h s ASN 462 Ca 0.00 -0.27 0.00 0.00 -1.02 0.00 0.00 52.86 51.57 3i7h s ASN 462 Cb 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 41.25 41.20 3i7h s ASN 462 CO 0.00 0.01 0.00 1.33 0.02 0.00 0.00 177.10 178.46 3i7h n VAL 463 N 2.42 0.00 -3.91 1.60 0.24 -1.00 -4.43 118.33 113.26 3i7h n VAL 463 Ca -0.16 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 3i7h n VAL 463 Cb 0.56 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.83 3i7h n VAL 463 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7h s ALA 464 N -2.29 -0.15 -0.56 2.33 0.00 -1.26 -4.72 121.76 115.11 3i7h s ALA 464 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 3i7h s ALA 464 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3i7h s ALA 464 CO 0.00 -0.17 0.50 0.72 0.00 0.00 0.00 175.76 176.81 3i7h n HIS 465 N 1.74 -1.51 -4.05 0.00 8.25 -1.26 -3.92 115.22 114.46 3i7h n HIS 465 Ca -0.22 0.54 -0.36 0.00 -0.26 0.00 0.00 57.72 57.43 3i7h n HIS 465 Cb 0.56 -3.33 -0.02 0.00 1.12 0.00 0.00 29.99 28.32 3i7h n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i7h n GLN 466 N -2.22 -1.21 -4.15 -0.41 6.02 -1.26 -4.81 117.38 109.34 3i7h n GLN 466 Ca -0.03 0.21 -0.15 0.00 -0.01 0.00 0.00 57.00 57.01 3i7h n GLN 466 Cb 0.55 -3.48 -0.13 0.00 1.02 0.00 0.00 30.24 28.20 3i7h n GLN 466 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i7h s GLN 467 N -7.01 0.59 -0.28 -1.09 -0.21 -1.25 0.53 119.66 110.94 3i7h s GLN 467 Ca 0.26 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 55.06 3i7h s GLN 467 Cb -0.13 -0.47 0.07 0.00 1.00 0.00 0.00 33.01 33.48 3i7h s GLN 467 CO 0.95 0.11 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.68 3i7h s LEU 468 N -1.07 3.50 0.36 2.90 1.02 0.14 -2.39 118.68 123.14 3i7h s LEU 468 Ca -0.04 -1.58 -0.26 0.00 0.02 0.00 0.00 54.13 52.27 3i7h s LEU 468 Cb -0.07 -1.42 -0.09 0.00 0.02 0.00 0.00 46.19 44.63 3i7h s LEU 468 CO 0.00 -0.28 1.14 -0.51 0.02 0.00 0.00 176.35 176.72 3i7h s ILE 469 N 1.16 3.32 -0.28 -0.59 1.10 -1.25 -2.84 121.20 121.82 3i7h s ILE 469 Ca -0.01 1.16 -0.03 0.00 -0.51 0.00 0.00 60.65 61.26 3i7h s ILE 469 Cb -0.19 -3.67 0.11 0.00 0.15 0.00 0.00 42.46 38.85 3i7h s ILE 469 CO -0.08 0.15 0.16 -1.58 -2.11 0.00 0.00 174.94 171.48 3i7h s GLN 470 N -2.09 0.21 -1.21 3.50 0.74 -1.17 -3.57 119.66 116.08 3i7h s GLN 470 Ca 0.53 -0.43 -0.14 0.00 0.05 0.00 0.00 55.36 55.37 3i7h s GLN 470 Cb -0.30 -1.09 0.17 0.00 1.10 0.00 0.00 33.01 32.89 3i7h s GLN 470 CO 0.38 -1.01 1.43 0.42 -0.55 0.00 0.00 175.29 175.96 3i7h s ILE 471 N 2.15 5.05 0.68 -2.34 1.01 -1.19 -1.77 121.20 124.79 3i7h s ILE 471 Ca 0.09 -2.65 -0.11 0.00 0.00 0.00 0.00 60.65 57.97 3i7h s ILE 471 Cb -0.16 -4.91 -0.01 0.00 0.01 0.00 0.00 42.46 37.40 3i7h s ILE 471 CO -0.35 -1.61 1.06 0.28 0.00 0.00 0.00 174.94 174.32 3i7h s THR 472 N 1.52 4.06 0.39 2.92 -1.32 -1.24 -2.26 115.64 119.72 3i7h s THR 472 Ca 0.42 0.67 0.17 0.00 -1.21 0.00 0.00 61.69 61.74 3i7h s THR 472 Cb -0.03 -3.60 0.17 0.00 -1.51 0.00 0.00 72.50 67.53 3i7h s THR 472 CO -0.00 -0.88 1.93 0.77 -2.21 0.00 0.00 174.62 174.23 3i7h h SER 473 N -0.56 0.00 0.58 8.08 4.64 -1.78 -2.59 113.55 121.92 3i7h h SER 473 Ca -0.45 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3i7h h SER 473 Cb 1.22 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.32 3i7h h SER 473 CO 0.62 0.25 -0.28 0.00 -0.87 0.00 0.00 176.83 176.55 3i7h h ALA 474 N 1.75 -0.78 -1.47 5.18 0.00 -1.91 -1.47 119.26 120.56 3i7h h ALA 474 Ca -0.00 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.86 3i7h h ALA 474 Cb 0.49 0.30 -0.28 0.00 0.00 0.00 0.00 17.79 18.30 3i7h h ALA 474 CO 0.03 -0.94 0.44 -1.54 0.00 0.00 0.00 179.25 177.24 3i7h s SER 475 N -4.51 -0.44 -0.10 0.00 1.04 -0.98 -4.71 113.70 103.99 3i7h s SER 475 Ca -0.17 0.72 -0.29 0.00 0.48 0.00 0.00 55.95 56.69 3i7h s SER 475 Cb 0.04 1.16 -0.06 0.00 0.10 0.00 0.00 66.02 67.26 3i7h s SER 475 CO 0.62 -0.11 2.00 0.54 0.98 0.00 0.00 173.24 177.27 3i7h s VAL 476 N 1.26 3.13 0.34 5.02 0.11 -1.20 -3.64 120.40 125.42 3i7h s VAL 476 Ca -0.08 0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.21 3i7h s VAL 476 Cb -0.03 -3.13 -0.06 0.00 -1.53 0.00 0.00 36.38 31.63 3i7h s VAL 476 CO -0.14 -0.05 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.43 3i7h s ARG 477 N 5.22 2.00 -0.04 1.54 0.52 -0.73 -1.38 118.95 126.08 3i7h s ARG 477 Ca 0.90 -1.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.32 3i7h s ARG 477 Cb -0.36 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.27 3i7h s ARG 477 CO 0.37 0.14 -0.05 -0.51 0.02 0.00 0.00 175.30 175.27 3i7h s LEU 478 N -3.68 1.41 -0.13 2.53 1.02 -0.90 -3.06 118.68 115.86 3i7h s LEU 478 Ca 0.34 -0.13 -0.02 0.00 0.02 0.00 0.00 54.13 54.34 3i7h s LEU 478 Cb 0.01 -0.43 0.05 0.00 0.02 0.00 0.00 46.19 45.83 3i7h s LEU 478 CO 0.18 -0.04 0.03 -0.69 0.02 0.00 0.00 176.35 175.86 3i7h s VAL 479 N 0.78 0.37 0.63 -1.59 1.01 -1.13 -1.91 120.40 118.57 3i7h s VAL 479 Ca -0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 3i7h s VAL 479 Cb -0.13 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3i7h s VAL 479 CO 0.00 -0.01 1.04 -0.94 0.00 0.00 0.00 175.10 175.19 3i7h s SER 480 N 1.95 5.93 -0.14 3.32 1.04 -0.52 0.23 113.70 125.51 3i7h s SER 480 Ca 0.02 1.55 -0.10 0.00 0.48 0.00 0.00 55.95 57.91 3i7h s SER 480 Cb -0.15 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.45 3i7h s SER 480 CO -0.07 -1.07 -0.19 1.67 0.98 0.00 0.00 173.24 174.56 3i7h n GLN 481 N -2.66 0.46 0.07 4.02 0.00 0.19 -1.98 117.38 117.48 3i7h n GLN 481 Ca 0.07 0.51 -0.13 0.00 -0.00 0.00 0.00 57.00 57.45 3i7h n GLN 481 Cb 0.54 -1.68 -0.09 0.00 0.00 0.00 0.00 30.24 29.02 3i7h n GLN 481 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3i7h h GLU 482 N -1.00 -0.20 0.00 3.69 4.22 -1.95 -2.38 114.58 116.95 3i7h h GLU 482 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 3i7h h GLU 482 Cb 0.54 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3i7h h GLU 482 CO -0.00 0.17 0.00 -2.30 -2.18 0.00 0.00 179.01 174.70 3i7h n PRO 483 N -5.00 0.03 -4.19 0.92 -0.02 -1.26 -4.88 135.00 120.60 3i7h n PRO 483 Ca -0.09 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 3i7h n PRO 483 Cb 0.24 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.06 3i7h n PRO 483 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i7h n LYS 484 N -1.65 -0.85 -4.05 -0.52 3.00 -0.84 -4.89 118.16 108.35 3i7h n LYS 484 Ca 0.01 0.10 -0.09 0.00 -0.00 0.00 0.00 58.31 58.33 3i7h n LYS 484 Cb 0.09 -3.70 -0.11 0.00 0.00 0.00 0.00 35.03 31.31 3i7h n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i7h s ALA 485 N -3.69 0.43 -1.04 3.14 0.00 -1.18 -4.86 121.76 114.56 3i7h s ALA 485 Ca 0.35 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 3i7h s ALA 485 Cb -0.20 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 3i7h s ALA 485 CO 0.91 -0.21 1.90 -1.17 0.00 0.00 0.00 175.76 177.19 3i7h s LEU 486 N -2.14 3.18 0.00 0.00 2.96 -1.26 -1.43 118.68 119.98 3i7h s LEU 486 Ca -0.04 -1.20 0.17 0.00 -0.22 0.00 0.00 54.13 52.84 3i7h s LEU 486 Cb -0.02 -2.57 1.00 0.00 0.50 0.00 0.00 46.19 45.10 3i7h s LEU 486 CO -0.04 -2.72 1.50 1.33 -1.32 0.00 0.00 176.35 175.10 3i7h n VAL 487 N 7.71 0.00 0.00 1.68 0.24 -0.80 -4.85 118.33 122.31 3i7h n VAL 487 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.72 3i7h n VAL 487 Cb 0.47 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.40 3i7h n VAL 487 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3i7h n SER 488 N -0.83 0.00 -3.19 -1.34 2.88 -1.25 -4.34 113.62 105.55 3i7h n SER 488 Ca 0.13 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.68 3i7h n SER 488 Cb 0.06 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 3i7h n SER 488 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3i7h s GLU 489 N -2.00 0.53 0.10 -1.46 2.12 -1.26 -2.12 118.70 114.61 3i7h s GLU 489 Ca 0.00 0.91 -0.11 0.00 0.36 0.00 0.00 54.97 56.12 3i7h s GLU 489 Cb 0.00 0.36 -0.06 0.00 0.26 0.00 0.00 34.13 34.69 3i7h s GLU 489 CO 0.00 -0.64 0.45 -0.46 -0.54 0.00 0.00 175.26 174.07 3i7h s TRP 490 N 2.80 3.58 0.19 5.30 -0.00 -0.48 -5.04 118.94 125.30 3i7h s TRP 490 Ca 0.19 0.87 -0.01 0.00 -0.00 0.00 0.00 56.10 57.16 3i7h s TRP 490 Cb -0.15 -2.23 -0.04 0.00 -0.00 0.00 0.00 33.47 31.05 3i7h s TRP 490 CO -0.20 0.48 0.12 0.21 -0.00 0.00 0.00 176.95 177.56 3i7h s LYS 491 N -1.96 1.17 -0.15 5.86 2.20 -1.26 -3.25 119.74 122.35 3i7h s LYS 491 Ca 0.35 -1.61 -0.25 0.00 -0.36 0.00 0.00 55.97 54.10 3i7h s LYS 491 Cb -0.14 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3i7h s LYS 491 CO 0.19 -0.37 0.81 -2.00 -0.36 0.00 0.00 175.35 173.62 3i7h s GLU 492 N -4.14 4.33 0.59 4.03 -6.30 -1.26 -4.92 118.70 111.02 3i7h s GLU 492 Ca 0.37 1.00 0.35 0.00 -2.50 0.00 0.00 54.97 54.19 3i7h s GLU 492 Cb 0.07 -3.55 1.24 0.00 0.00 0.00 0.00 34.13 31.89 3i7h s GLU 492 CO 0.11 -0.26 1.44 -1.35 0.02 0.00 0.00 175.26 175.22 3i7h h PRO 493 N 7.23 0.00 -0.42 4.30 0.11 -2.01 0.70 132.00 141.92 3i7h h PRO 493 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i7h h PRO 493 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i7h h PRO 493 CO 0.82 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.65 3i7h n GLN 494 N -3.53 2.54 -2.15 1.05 1.13 -1.26 -4.96 117.38 110.20 3i7h n GLN 494 Ca 0.30 -2.16 -0.20 0.00 -1.94 0.00 0.00 57.00 53.00 3i7h n GLN 494 Cb 1.64 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 30.58 3i7h n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7h n ALA 495 N 0.97 -0.51 -2.60 -1.58 0.00 0.24 -4.99 120.51 112.05 3i7h n ALA 495 Ca 0.16 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 3i7h n ALA 495 Cb 0.49 -2.10 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 3i7h n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i7h s LYS 496 N -4.63 4.59 0.53 0.00 1.02 -1.26 -5.01 119.74 114.98 3i7h s LYS 496 Ca 0.00 1.41 -0.21 0.00 0.02 0.00 0.00 55.97 57.19 3i7h s LYS 496 Cb 0.00 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3i7h s LYS 496 CO 0.00 0.02 1.22 -0.80 -0.92 0.00 0.00 175.35 174.87 3i7h s ASN 497 N 0.76 5.58 0.57 2.83 -0.87 -1.26 -4.52 114.94 118.03 3i7h s ASN 497 Ca 0.50 2.42 -0.13 0.00 -1.57 0.00 0.00 52.86 54.09 3i7h s ASN 497 Cb -0.21 -2.61 -0.05 0.00 -0.02 0.00 0.00 41.25 38.35 3i7h s ASN 497 CO 0.28 -1.33 1.00 -0.63 -2.57 0.00 0.00 177.10 173.85 3i7h s ILE 498 N -1.53 4.66 0.00 0.60 1.01 -0.55 -4.85 121.20 120.53 3i7h s ILE 498 Ca 0.71 0.97 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3i7h s ILE 498 Cb -0.31 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3i7h s ILE 498 CO 0.36 -0.96 0.00 -1.20 0.00 0.00 0.00 174.94 173.14 3i7h n SER 499 N -2.28 0.00 -4.53 3.58 7.64 0.35 -4.82 113.62 113.56 3i7h n SER 499 Ca 0.06 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.60 3i7h n SER 499 Cb 0.54 -0.10 -0.12 0.00 -1.01 0.00 0.00 64.21 63.52 3i7h n SER 499 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i7h s VAL 500 N -0.79 3.66 0.00 0.44 1.01 -1.14 -4.97 120.40 118.61 3i7h s VAL 500 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3i7h s VAL 500 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3i7h s VAL 500 CO 0.00 0.56 0.00 0.00 0.00 0.00 0.00 175.10 175.66 3i7h n ALA 501 N 2.74 0.00 0.00 5.51 0.00 -1.26 -1.13 120.51 126.37 3i7h n ALA 501 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i7h n ALA 501 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3i7h n ALA 501 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i7h n SER 502 N -2.94 0.00 -3.32 0.00 2.88 -1.23 -4.54 113.62 104.46 3i7h n SER 502 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 3i7h n SER 502 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3i7h n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i7h n ASN 504 N 5.38 0.00 0.00 0.00 0.23 -1.19 -5.01 115.26 114.67 3i7h n ASN 504 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 3i7h n ASN 504 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3i7h n ASN 504 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3i7h n SER 505 N -0.30 0.00 0.00 0.53 2.88 -1.26 -4.79 113.62 110.68 3i7h n SER 505 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i7h n SER 505 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i7h n SER 505 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3i7h n SER 506 N -1.32 1.27 -4.12 -3.46 7.64 -1.26 -3.99 113.62 108.38 3i7h n SER 506 Ca 0.00 -1.46 -0.09 0.00 1.01 0.00 0.00 58.87 58.33 3i7h n SER 506 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 3i7h n SER 506 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3i7h s GLN 507 N -0.46 0.69 -0.04 1.43 -0.21 -1.26 -4.43 119.66 115.38 3i7h s GLN 507 Ca 0.00 -1.24 -0.03 0.00 0.02 0.00 0.00 55.36 54.10 3i7h s GLN 507 Cb 0.00 0.04 0.01 0.00 1.00 0.00 0.00 33.01 34.06 3i7h s GLN 507 CO 0.00 -0.07 0.10 0.08 -2.12 0.00 0.00 175.29 173.28 3i7h s VAL 508 N -3.71 -0.00 -0.42 1.09 1.01 -1.26 -3.14 120.40 113.96 3i7h s VAL 508 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3i7h s VAL 508 Cb 0.06 -0.15 0.17 0.00 0.00 0.00 0.00 36.38 36.46 3i7h s VAL 508 CO -0.08 0.00 0.40 -0.69 0.00 0.00 0.00 175.10 174.74 3i7h s VAL 509 N 0.11 0.02 0.69 2.92 1.01 -0.08 -3.50 120.40 121.56 3i7h s VAL 509 Ca -0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 61.98 59.75 3i7h s VAL 509 Cb -0.01 -0.96 0.17 0.00 0.00 0.00 0.00 36.38 35.58 3i7h s VAL 509 CO -0.00 -0.94 0.64 1.33 0.00 0.00 0.00 175.10 176.13 3i7h n VAL 510 N 3.11 0.00 -3.64 2.92 0.24 -1.16 -3.58 118.33 116.22 3i7h n VAL 510 Ca 0.24 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 3i7h n VAL 510 Cb 0.48 -1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 31.59 3i7h n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7h s ALA 511 N -3.10 -1.69 -0.57 2.33 0.00 -0.28 -3.79 121.76 114.64 3i7h s ALA 511 Ca 0.41 1.90 0.06 0.00 0.00 0.00 0.00 51.96 54.34 3i7h s ALA 511 Cb -0.04 -1.07 0.26 0.00 0.00 0.00 0.00 23.12 22.27 3i7h s ALA 511 CO 0.31 -0.33 0.72 0.28 0.00 0.00 0.00 175.76 176.75 3i7h n VAL 512 N 2.63 1.75 0.00 0.00 0.31 -0.88 -0.49 118.33 121.66 3i7h n VAL 512 Ca -0.14 -5.00 0.00 0.00 -0.01 0.00 0.00 64.34 59.19 3i7h n VAL 512 Cb 0.55 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3i7h n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7h n GLY 513 N 0.82 1.00 0.00 2.92 0.00 -1.26 -3.40 105.19 105.26 3i7h n GLY 513 Ca 0.28 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.64 3i7h n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7h n ARG 514 N 0.00 5.26 -1.97 1.61 1.74 -1.26 -0.52 116.66 121.52 3i7h n ARG 514 Ca 0.00 -0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3i7h n ARG 514 Cb 0.00 -0.74 0.01 0.00 -1.02 0.00 0.00 32.46 30.71 3i7h n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i7h s ALA 515 N -1.48 2.97 -0.15 7.54 0.00 -1.22 0.31 121.76 129.73 3i7h s ALA 515 Ca 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 3i7h s ALA 515 Cb 0.04 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 20.09 3i7h s ALA 515 CO 0.20 -0.68 0.35 -0.51 0.00 0.00 0.00 175.76 175.12 3i7h s LEU 516 N -4.87 -0.00 -0.09 0.00 1.43 -0.10 -2.06 118.68 112.98 3i7h s LEU 516 Ca 0.58 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 3i7h s LEU 516 Cb -0.12 1.11 0.01 0.00 0.03 0.00 0.00 46.19 47.22 3i7h s LEU 516 CO 0.46 -0.19 -0.20 -0.31 0.23 0.00 0.00 176.35 176.34 3i7h s TYR 517 N 1.53 2.18 -0.37 0.29 1.51 -1.25 -2.74 117.35 118.50 3i7h s TYR 517 Ca -0.08 -0.89 -0.10 0.00 -1.01 0.00 0.00 57.07 55.00 3i7h s TYR 517 Cb -0.10 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 3i7h s TYR 517 CO -0.11 -0.38 0.18 -0.47 -1.11 0.00 0.00 175.55 173.65 3i7h s TYR 518 N 0.49 3.25 0.53 2.71 6.04 -1.15 -2.97 117.35 126.26 3i7h s TYR 518 Ca -0.17 -1.13 0.08 0.00 0.04 0.00 0.00 57.07 55.89 3i7h s TYR 518 Cb -0.17 -2.41 0.06 0.00 -1.04 0.00 0.00 41.96 38.39 3i7h s TYR 518 CO 0.06 -0.68 0.64 -0.51 -1.54 0.00 0.00 175.55 173.52 3i7h s LEU 519 N 1.50 3.13 -0.07 6.97 1.43 -1.23 0.54 118.68 130.95 3i7h s LEU 519 Ca 0.01 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.19 3i7h s LEU 519 Cb -0.19 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3i7h s LEU 519 CO 0.05 -1.14 0.17 -1.58 0.23 0.00 0.00 176.35 174.08 3i7h s GLN 520 N -4.49 0.19 -0.79 1.70 0.74 -0.88 -4.04 119.66 112.09 3i7h s GLN 520 Ca 0.54 0.26 -0.02 0.00 0.05 0.00 0.00 55.36 56.19 3i7h s GLN 520 Cb -0.05 0.07 0.37 0.00 1.10 0.00 0.00 33.01 34.49 3i7h s GLN 520 CO 0.33 -0.04 1.97 -0.89 -0.55 0.00 0.00 175.29 176.11 3i7h n ILE 521 N 3.14 3.53 -1.62 -2.34 2.08 -1.26 -2.58 119.36 120.31 3i7h n ILE 521 Ca -0.14 -4.10 -0.30 0.00 0.56 0.00 0.00 62.75 58.76 3i7h n ILE 521 Cb 0.58 -1.23 0.08 0.00 -0.75 0.00 0.00 39.64 38.32 3i7h n ILE 521 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3i7h s HIS 522 N -4.00 2.95 0.00 1.39 3.76 -1.25 -4.55 115.29 113.59 3i7h s HIS 522 Ca 0.54 1.16 0.00 0.00 -0.15 0.00 0.00 55.06 56.61 3i7h s HIS 522 Cb 0.45 -3.09 0.00 0.00 1.11 0.00 0.00 32.58 31.05 3i7h s HIS 522 CO -0.33 -1.61 0.00 -2.30 -0.85 0.00 0.00 174.74 169.65 3i7h n PRO 523 N -3.32 0.00 -1.80 8.40 -0.02 -1.26 -2.44 135.00 134.55 3i7h n PRO 523 Ca 0.07 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 3i7h n PRO 523 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.02 3i7h n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7h n GLN 524 N 0.00 -0.80 -3.82 -0.52 6.02 -1.26 -4.96 117.38 112.05 3i7h n GLN 524 Ca 0.00 0.67 -0.02 0.00 -0.01 0.00 0.00 57.00 57.64 3i7h n GLN 524 Cb 0.00 -4.70 0.00 0.00 1.02 0.00 0.00 30.24 26.56 3i7h n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i7h s GLU 525 N -3.80 1.07 0.15 -1.09 4.04 -1.02 -4.60 118.70 113.45 3i7h s GLU 525 Ca 0.00 -0.65 -0.01 0.00 0.04 0.00 0.00 54.97 54.35 3i7h s GLU 525 Cb 0.00 0.33 -0.04 0.00 0.02 0.00 0.00 34.13 34.43 3i7h s GLU 525 CO 0.00 -0.50 0.34 -0.51 -1.84 0.00 0.00 175.26 172.75 3i7h s LEU 526 N -3.24 4.28 -0.35 1.83 1.43 -1.26 -3.83 118.68 117.54 3i7h s LEU 526 Ca 0.18 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 3i7h s LEU 526 Cb -0.01 -3.13 0.16 0.00 0.03 0.00 0.00 46.19 43.25 3i7h s LEU 526 CO 0.03 0.03 0.43 -0.60 0.23 0.00 0.00 176.35 176.47 3i7h s ARG 527 N -3.01 0.60 -0.73 1.70 3.52 -1.06 -4.87 118.95 115.09 3i7h s ARG 527 Ca 0.38 -0.44 -0.26 0.00 -0.13 0.00 0.00 55.73 55.28 3i7h s ARG 527 Cb -0.12 -0.45 -0.09 0.00 -1.56 0.00 0.00 34.95 32.74 3i7h s ARG 527 CO 0.28 -1.14 2.24 -1.14 -0.81 0.00 0.00 175.30 174.72 3i7h s GLN 528 N 1.86 2.05 0.09 5.12 0.74 -1.26 -2.07 119.66 126.18 3i7h s GLN 528 Ca 0.14 0.51 -0.08 0.00 0.05 0.00 0.00 55.36 55.98 3i7h s GLN 528 Cb -0.12 -4.76 -0.21 0.00 1.10 0.00 0.00 33.01 29.01 3i7h s GLN 528 CO -0.13 -3.75 1.19 0.82 -0.55 0.00 0.00 175.29 172.87 3i7h h ILE 529 N 7.50 1.38 -4.08 -2.34 1.08 -0.22 -3.49 117.51 117.33 3i7h h ILE 529 Ca -0.06 -2.59 -0.19 0.00 -0.39 0.00 0.00 64.86 61.63 3i7h h ILE 529 Cb 1.08 2.64 -0.10 0.00 -3.07 0.00 0.00 36.82 37.37 3i7h h ILE 529 CO 1.11 0.78 -0.28 -0.44 -0.69 0.00 0.00 178.15 178.63 3i7h s SER 530 N -7.23 0.35 -0.30 1.72 0.01 -1.05 -4.96 113.70 102.23 3i7h s SER 530 Ca -0.07 -1.25 -0.13 0.00 1.31 0.00 0.00 55.95 55.81 3i7h s SER 530 Cb 0.07 0.56 0.18 0.00 0.21 0.00 0.00 66.02 67.03 3i7h s SER 530 CO 0.90 -1.11 1.01 -2.28 0.41 0.00 0.00 173.24 172.16 3i7h s HIS 531 N -3.73 -0.64 0.15 2.43 2.46 -1.25 -2.92 115.29 111.80 3i7h s HIS 531 Ca 0.30 0.83 0.07 0.00 0.47 0.00 0.00 55.06 56.72 3i7h s HIS 531 Cb 0.01 0.28 -0.04 0.00 -0.13 0.00 0.00 32.58 32.70 3i7h s HIS 531 CO 0.14 -0.34 -0.14 0.99 -2.47 0.00 0.00 174.74 172.92 3i7h s THR 532 N 2.72 1.49 -0.11 0.89 2.01 -1.11 -5.00 115.64 116.54 3i7h s THR 532 Ca 0.00 -1.94 0.00 0.00 0.31 0.00 0.00 61.69 60.07 3i7h s THR 532 Cb -0.09 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 3i7h s THR 532 CO -0.14 -0.50 -0.11 -0.70 -0.69 0.00 0.00 174.62 172.48 3i7h s GLU 533 N -3.12 3.19 0.47 4.92 2.12 -1.26 -0.92 118.70 124.09 3i7h s GLU 533 Ca 0.15 -0.64 -0.05 0.00 0.36 0.00 0.00 54.97 54.79 3i7h s GLU 533 Cb -0.03 -2.63 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 3i7h s GLU 533 CO 0.04 0.36 0.78 -1.64 -0.54 0.00 0.00 175.26 174.26 3i7h s MET 534 N -0.01 3.55 0.34 4.30 -1.94 0.90 -4.94 119.30 121.50 3i7h s MET 534 Ca -0.02 0.20 0.08 0.00 -1.71 0.00 0.00 55.69 54.23 3i7h s MET 534 Cb -0.14 -2.39 0.78 0.00 2.01 0.00 0.00 34.83 35.10 3i7h s MET 534 CO 0.04 -0.18 1.85 0.93 -0.01 0.00 0.00 175.02 177.64 3i7h h GLU 535 N 0.30 0.71 -4.87 2.03 5.08 -2.00 -3.45 114.58 112.38 3i7h h GLU 535 Ca -0.47 -0.04 -0.44 0.00 -1.00 0.00 0.00 59.36 57.40 3i7h h GLU 535 Cb 1.20 -0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.16 3i7h h GLU 535 CO 0.62 0.47 -0.52 -1.01 -1.00 0.00 0.00 179.01 177.57 3i7h s HIS 536 N -5.73 1.67 0.44 4.33 3.76 -1.26 -5.06 115.29 113.43 3i7h s HIS 536 Ca -0.10 -1.56 -0.24 0.00 -0.15 0.00 0.00 55.06 53.00 3i7h s HIS 536 Cb 0.23 -0.76 -0.08 0.00 1.11 0.00 0.00 32.58 33.08 3i7h s HIS 536 CO 0.79 -0.74 1.25 -2.00 -0.85 0.00 0.00 174.74 173.19 3i7h s GLU 537 N -3.61 3.80 -0.25 1.40 2.12 -1.26 -4.38 118.70 116.52 3i7h s GLU 537 Ca 0.38 2.00 -0.20 0.00 0.36 0.00 0.00 54.97 57.51 3i7h s GLU 537 Cb 0.03 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 3i7h s GLU 537 CO 0.23 -0.59 0.62 0.08 -0.54 0.00 0.00 175.26 175.06 3i7h s VAL 538 N -1.37 5.00 -0.15 3.70 1.01 0.32 -0.79 120.40 128.12 3i7h s VAL 538 Ca 0.61 1.11 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 3i7h s VAL 538 Cb -0.34 -3.92 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 3i7h s VAL 538 CO 0.43 0.04 0.60 0.00 0.00 0.00 0.00 175.10 176.17 3i7h h ALA 539 N 7.87 0.08 -2.47 5.51 0.00 -0.20 -3.45 119.26 126.60 3i7h h ALA 539 Ca -0.27 -0.77 -0.06 0.00 0.00 0.00 0.00 54.91 53.81 3i7h h ALA 539 Cb 1.13 0.26 -0.16 0.00 0.00 0.00 0.00 17.79 19.01 3i7h h ALA 539 CO 0.77 0.30 0.03 0.00 0.00 0.00 0.00 179.25 180.35 3i7h s LEU 541 N -1.90 1.82 -0.28 0.00 1.43 -1.26 0.20 118.68 118.69 3i7h s LEU 541 Ca -0.06 -1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 51.69 3i7h s LEU 541 Cb -0.01 0.36 0.09 0.00 0.03 0.00 0.00 46.19 46.67 3i7h s LEU 541 CO -0.01 -0.72 0.81 -0.62 0.23 0.00 0.00 176.35 176.04 3i7h s ASP 542 N -3.02 -0.71 -0.14 2.29 3.68 -0.70 -4.64 116.67 113.44 3i7h s ASP 542 Ca 0.21 1.26 -0.07 0.00 2.13 0.00 0.00 52.55 56.08 3i7h s ASP 542 Cb 0.07 1.28 0.06 0.00 -1.45 0.00 0.00 42.92 42.89 3i7h s ASP 542 CO -0.00 -0.21 0.32 0.27 0.13 0.00 0.00 175.17 175.67 3i7h s ILE 543 N 0.82 -0.18 -0.26 4.11 -4.36 -1.26 -2.33 121.20 117.74 3i7h s ILE 543 Ca -0.03 0.16 -0.16 0.00 -0.26 0.00 0.00 60.65 60.35 3i7h s ILE 543 Cb -0.05 -0.49 0.07 0.00 1.25 0.00 0.00 42.46 43.24 3i7h s ILE 543 CO -0.08 0.07 0.65 0.42 0.24 0.00 0.00 174.94 176.23 3i7h s THR 544 N 1.68 -0.00 -0.40 8.37 -4.23 -1.26 -3.93 115.64 115.87 3i7h s THR 544 Ca -0.06 0.01 -0.40 0.00 -1.18 0.00 0.00 61.69 60.06 3i7h s THR 544 Cb -0.10 -0.93 -0.15 0.00 1.34 0.00 0.00 72.50 72.65 3i7h s THR 544 CO -0.10 0.01 2.05 -0.81 -0.54 0.00 0.00 174.62 175.22 3i7h n PRO 545 N 4.00 0.63 -0.81 3.99 -0.04 -1.26 -4.81 135.00 136.70 3i7h n PRO 545 Ca -0.19 0.19 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 3i7h n PRO 545 Cb 0.58 -1.98 0.26 0.00 -0.04 0.00 0.00 33.50 32.31 3i7h n PRO 545 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i7h n LEU 546 N 7.80 5.20 0.00 1.53 4.77 -1.26 -4.94 117.00 130.09 3i7h n LEU 546 Ca 0.43 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.72 3i7h n LEU 546 Cb 0.09 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 3i7h n LEU 546 CO 0.82 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 3i7h n GLY 547 N 0.02 1.06 0.00 -0.72 0.00 -1.26 -4.93 105.19 99.37 3i7h n GLY 547 Ca 0.31 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 46.09 3i7h n GLY 547 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7h n ASP 548 N 0.00 0.00 -3.99 1.61 8.00 -1.26 -4.57 116.55 116.33 3i7h n ASP 548 Ca 0.00 -0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 3i7h n ASP 548 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 3i7h n ASP 548 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i7h s SER 549 N -1.95 0.45 -0.40 -2.24 1.04 -1.26 -5.09 113.70 104.24 3i7h s SER 549 Ca 0.04 -1.43 0.11 0.00 0.48 0.00 0.00 55.95 55.15 3i7h s SER 549 Cb 0.02 0.44 0.42 0.00 0.10 0.00 0.00 66.02 67.00 3i7h s SER 549 CO 0.03 -0.92 1.00 0.59 0.98 0.00 0.00 173.24 174.92 3i7h n ASN 550 N -0.56 3.10 0.00 7.02 3.02 -1.26 -4.70 115.26 121.89 3i7h n ASN 550 Ca 0.03 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 3i7h n ASN 550 Cb 0.65 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3i7h n ASN 550 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7h n GLY 551 N -0.23 3.36 3.57 7.41 0.00 -1.26 -4.93 105.19 113.10 3i7h n GLY 551 Ca 0.26 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3i7h n GLY 551 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7h s LEU 552 N 0.00 3.33 -0.26 0.99 1.02 -1.26 -4.18 118.68 118.32 3i7h s LEU 552 Ca 0.00 0.09 -0.29 0.00 0.02 0.00 0.00 54.13 53.95 3i7h s LEU 552 Cb 0.00 -2.86 -0.00 0.00 0.02 0.00 0.00 46.19 43.35 3i7h s LEU 552 CO 0.00 -1.82 1.26 -0.55 0.02 0.00 0.00 176.35 175.26 3i7h s SER 553 N 4.66 6.80 0.01 2.29 0.15 -1.26 -4.70 113.70 121.65 3i7h s SER 553 Ca 0.49 1.35 -0.26 0.00 0.70 0.00 0.00 55.95 58.23 3i7h s SER 553 Cb -0.10 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.51 3i7h s SER 553 CO 0.22 -0.95 1.21 -0.65 1.20 0.00 0.00 173.24 174.28 3i7h h PRO 554 N 8.76 -0.54 0.00 5.44 0.11 -1.94 -3.44 132.00 140.38 3i7h h PRO 554 Ca -0.25 0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.35 3i7h h PRO 554 Cb 1.09 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 3i7h h PRO 554 CO 1.01 -0.23 -0.29 1.28 -0.21 0.00 0.00 178.00 179.56 3i7h n LEU 555 N -5.21 0.00 -3.90 2.35 4.77 -1.26 -3.04 117.00 110.71 3i7h n LEU 555 Ca -0.10 -2.69 -0.09 0.00 -0.03 0.00 0.00 56.01 53.09 3i7h n LEU 555 Cb 0.29 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3i7h n LEU 555 CO 0.30 -0.53 -0.07 0.00 -1.33 0.00 0.00 177.39 175.77 3i7h s ALA 557 N -3.90 2.36 -0.09 0.00 0.00 -0.99 -2.31 121.76 116.83 3i7h s ALA 557 Ca 0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 3i7h s ALA 557 Cb 0.04 -0.49 0.05 0.00 0.00 0.00 0.00 23.12 22.72 3i7h s ALA 557 CO -0.07 0.54 0.20 -1.50 0.00 0.00 0.00 175.76 174.94 3i7h s ILE 558 N -0.91 -0.12 -0.12 0.00 2.07 -0.57 -1.72 121.20 119.82 3i7h s ILE 558 Ca 0.13 0.21 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 3i7h s ILE 558 Cb -0.10 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 3i7h s ILE 558 CO 0.04 0.08 0.41 -0.83 -1.91 0.00 0.00 174.94 172.73 3i7h s GLY 559 N 1.52 2.34 0.21 1.50 0.00 0.53 -1.27 107.32 112.16 3i7h s GLY 559 Ca -0.06 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3i7h s GLY 559 CO -0.07 0.59 0.29 1.04 0.00 0.00 0.00 173.10 174.95 3i7h n LEU 560 N 3.46 0.00 -0.02 0.66 4.77 -0.40 0.40 117.00 125.87 3i7h n LEU 560 Ca -0.09 -0.83 -0.03 0.00 -0.03 0.00 0.00 56.01 55.02 3i7h n LEU 560 Cb 0.52 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3i7h n LEU 560 CO 0.41 -0.59 -0.62 0.79 -1.33 0.00 0.00 177.39 176.05 3i7h n TRP 561 N -1.53 0.00 -0.11 -1.77 7.02 0.03 -4.05 117.44 117.02 3i7h n TRP 561 Ca 0.06 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.32 3i7h n TRP 561 Cb 0.21 -0.13 -0.11 0.00 -2.42 0.00 0.00 31.31 28.85 3i7h n TRP 561 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3i7h n THR 562 N -2.89 1.53 1.84 -0.99 -1.04 -1.26 -4.13 114.28 107.34 3i7h n THR 562 Ca -0.07 -0.03 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 3i7h n THR 562 Cb 0.56 -2.05 0.73 0.00 -1.82 0.00 0.00 70.33 67.75 3i7h n THR 562 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3i7h n ASP 563 N -4.43 0.00 -3.66 8.00 5.75 -1.26 -4.91 116.55 116.05 3i7h n ASP 563 Ca -0.32 -1.07 -0.23 0.00 -0.01 0.00 0.00 54.79 53.16 3i7h n ASP 563 Cb 0.68 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.77 3i7h n ASP 563 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i7h n ILE 564 N -0.92 -5.07 -4.09 2.12 -0.00 -1.26 -4.48 119.36 105.66 3i7h n ILE 564 Ca 0.18 -0.26 -0.13 0.00 -0.00 0.00 0.00 62.75 62.54 3i7h n ILE 564 Cb 0.08 -3.91 -0.11 0.00 -0.00 0.00 0.00 39.64 35.71 3i7h n ILE 564 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3i7h s SER 565 N -3.12 0.98 0.04 4.38 1.04 -1.26 -1.57 113.70 114.18 3i7h s SER 565 Ca 0.12 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.94 3i7h s SER 565 Cb -0.05 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.07 3i7h s SER 565 CO 0.87 -0.25 -0.07 0.00 0.98 0.00 0.00 173.24 174.76 3i7h s ALA 566 N -1.87 3.02 0.12 5.32 0.00 -0.08 -1.28 121.76 126.98 3i7h s ALA 566 Ca -0.05 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 3i7h s ALA 566 Cb -0.07 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3i7h s ALA 566 CO -0.01 0.63 0.17 -0.98 0.00 0.00 0.00 175.76 175.57 3i7h s ARG 567 N -1.71 0.93 -0.06 0.00 3.03 -0.39 -0.05 118.95 120.71 3i7h s ARG 567 Ca 0.19 -1.16 0.02 0.00 2.03 0.00 0.00 55.73 56.81 3i7h s ARG 567 Cb -0.11 0.32 -0.03 0.00 -1.03 0.00 0.00 34.95 34.10 3i7h s ARG 567 CO 0.10 -0.30 -0.11 0.42 -1.13 0.00 0.00 175.30 174.29 3i7h s ILE 568 N -3.94 3.38 0.02 4.99 -1.09 -0.16 -1.51 121.20 122.89 3i7h s ILE 568 Ca 0.13 -0.60 -0.02 0.00 -2.23 0.00 0.00 60.65 57.93 3i7h s ILE 568 Cb 0.05 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 3i7h s ILE 568 CO -0.05 0.59 0.02 -0.76 -1.23 0.00 0.00 174.94 173.51 3i7h s LEU 569 N -0.73 2.06 -0.34 2.97 1.43 -0.98 -2.83 118.68 120.27 3i7h s LEU 569 Ca 0.11 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 3i7h s LEU 569 Cb -0.11 0.28 -0.00 0.00 0.03 0.00 0.00 46.19 46.39 3i7h s LEU 569 CO 0.01 -0.36 0.61 -0.75 0.23 0.00 0.00 176.35 176.09 3i7h s LYS 570 N -1.71 3.73 0.20 1.70 2.20 -1.25 -1.37 119.74 123.24 3i7h s LYS 570 Ca -0.13 0.07 -0.05 0.00 -0.36 0.00 0.00 55.97 55.50 3i7h s LYS 570 Cb -0.07 -3.79 0.14 0.00 -1.51 0.00 0.00 37.83 32.60 3i7h s LYS 570 CO -0.01 -0.67 1.58 1.25 -0.36 0.00 0.00 175.35 177.14 3i7h h LEU 571 N 9.25 0.78 -0.89 5.43 6.46 -1.83 0.65 115.31 135.16 3i7h h LEU 571 Ca -0.27 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 3i7h h LEU 571 Cb 1.12 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 3i7h h LEU 571 CO 0.81 1.03 0.00 -2.65 -0.62 0.00 0.00 178.44 177.02 3i7h n PRO 572 N -4.07 0.12 0.00 5.25 -0.02 -1.26 -3.54 135.00 131.47 3i7h n PRO 572 Ca -0.01 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3i7h n PRO 572 Cb 0.48 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3i7h n PRO 572 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i7h n SER 573 N -2.06 3.71 -1.63 2.55 3.41 -1.02 -4.85 113.62 113.73 3i7h n SER 573 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 3i7h n SER 573 Cb 0.09 0.60 -0.08 0.00 -0.26 0.00 0.00 64.21 64.55 3i7h n SER 573 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i7h n PHE 574 N -1.31 -0.12 -2.29 7.33 0.99 0.23 -4.90 117.46 117.38 3i7h n PHE 574 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 3i7h n PHE 574 Cb 0.15 -3.43 -0.02 0.00 -1.00 0.00 0.00 39.48 35.17 3i7h n PHE 574 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 3i7h s GLU 575 N -3.86 3.60 -0.47 -1.08 -1.05 -1.16 -4.76 118.70 109.92 3i7h s GLU 575 Ca 0.00 1.11 -0.43 0.00 -0.15 0.00 0.00 54.97 55.50 3i7h s GLU 575 Cb 0.00 -4.03 -0.18 0.00 -0.44 0.00 0.00 34.13 29.47 3i7h s GLU 575 CO 0.00 -1.53 1.78 -0.11 0.95 0.00 0.00 175.26 176.36 3i7h n LEU 576 N 8.84 0.91 0.00 1.83 -0.00 -1.26 -3.76 117.00 123.56 3i7h n LEU 576 Ca 0.17 0.87 0.00 0.00 -0.00 0.00 0.00 56.01 57.05 3i7h n LEU 576 Cb 0.47 -0.84 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 3i7h n LEU 576 CO 0.69 -0.76 0.00 0.18 -0.00 0.00 0.00 177.39 177.50 3i7h n LEU 577 N 5.54 0.00 -4.64 -1.96 4.32 -1.13 -5.02 117.00 114.12 3i7h n LEU 577 Ca 0.41 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 56.06 3i7h n LEU 577 Cb -0.05 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.65 3i7h n LEU 577 CO 0.84 0.00 -0.31 -2.28 -1.22 0.00 0.00 177.39 174.42 3i7h s HIS 578 N 1.64 3.16 0.01 -1.77 5.65 -1.25 -5.00 115.29 117.73 3i7h s HIS 578 Ca 0.00 0.07 0.03 0.00 0.25 0.00 0.00 55.06 55.42 3i7h s HIS 578 Cb 0.00 -1.88 -0.01 0.00 -1.18 0.00 0.00 32.58 29.51 3i7h s HIS 578 CO 0.00 0.31 -0.10 -1.59 -0.65 0.00 0.00 174.74 172.71 3i7h s LYS 579 N -0.40 0.76 -0.12 2.88 -2.85 -1.26 -0.99 119.74 117.77 3i7h s LYS 579 Ca 0.08 -0.50 -0.00 0.00 -1.00 0.00 0.00 55.97 54.55 3i7h s LYS 579 Cb -0.12 -0.72 0.02 0.00 -2.06 0.00 0.00 37.83 34.95 3i7h s LYS 579 CO 0.02 0.19 -0.08 -2.00 0.10 0.00 0.00 175.35 173.57 3i7h s GLU 580 N -0.63 1.61 0.28 1.78 2.56 0.93 -5.00 118.70 120.24 3i7h s GLU 580 Ca 0.01 -0.29 -0.29 0.00 0.00 0.00 0.00 54.97 54.40 3i7h s GLU 580 Cb -0.05 -1.64 -0.09 0.00 2.00 0.00 0.00 34.13 34.34 3i7h s GLU 580 CO 0.00 -0.26 1.09 -1.64 -0.56 0.00 0.00 175.26 173.89 3i7h s MET 581 N 1.68 4.63 0.26 4.30 -1.94 -1.26 -0.91 119.30 126.06 3i7h s MET 581 Ca 0.05 1.77 0.09 0.00 -1.71 0.00 0.00 55.69 55.89 3i7h s MET 581 Cb -0.13 -3.17 -0.04 0.00 2.01 0.00 0.00 34.83 33.51 3i7h s MET 581 CO -0.08 0.21 0.04 -0.48 -0.01 0.00 0.00 175.02 174.70 3i7h s LEU 582 N -1.49 3.34 0.83 -0.03 2.34 -0.61 -4.94 118.68 118.13 3i7h s LEU 582 Ca 0.45 -0.54 -0.11 0.00 0.06 0.00 0.00 54.13 53.99 3i7h s LEU 582 Cb -0.31 -1.88 0.09 0.00 -0.56 0.00 0.00 46.19 43.54 3i7h s LEU 582 CO 0.40 0.00 1.12 -0.83 -1.06 0.00 0.00 176.35 175.98 3i7h s GLY 583 N -3.65 1.73 0.00 -3.48 0.00 -1.26 -4.80 107.32 95.85 3i7h s GLY 583 Ca 0.31 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3i7h s GLY 583 CO 0.21 0.83 0.00 0.61 0.00 0.00 0.00 173.10 174.75 3i7h n GLY 584 N -0.49 -2.03 0.55 0.20 0.00 -1.26 -4.81 105.19 97.35 3i7h n GLY 584 Ca 0.11 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3i7h n GLY 584 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7h n GLU 585 N -0.23 0.00 -3.16 1.61 0.00 -1.26 -4.75 120.64 112.85 3i7h n GLU 585 Ca 0.00 -0.81 -0.37 0.00 0.00 0.00 0.00 57.16 55.98 3i7h n GLU 585 Cb 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 31.44 31.03 3i7h n GLU 585 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3i7h s ILE 586 N 0.00 4.62 0.30 3.84 -1.09 -1.26 -5.02 121.20 122.60 3i7h s ILE 586 Ca 0.01 1.23 -0.29 0.00 -2.23 0.00 0.00 60.65 59.37 3i7h s ILE 586 Cb 0.02 -3.87 -0.10 0.00 -1.58 0.00 0.00 42.46 36.93 3i7h s ILE 586 CO -0.01 0.29 1.19 0.27 -1.23 0.00 0.00 174.94 175.45 3i7h s ILE 587 N -1.43 3.13 0.11 2.92 -0.00 -1.26 -4.80 121.20 119.87 3i7h s ILE 587 Ca 0.40 1.14 -0.31 0.00 -0.00 0.00 0.00 60.65 61.87 3i7h s ILE 587 Cb -0.17 -3.72 -0.11 0.00 -0.00 0.00 0.00 42.46 38.46 3i7h s ILE 587 CO 0.21 0.27 1.86 -2.65 -0.00 0.00 0.00 174.94 174.63 3i7h n PRO 588 N 1.00 2.81 -0.05 0.37 -0.02 -1.26 -2.38 135.00 135.47 3i7h n PRO 588 Ca -0.01 1.02 -0.18 0.00 -2.02 0.00 0.00 63.50 62.31 3i7h n PRO 588 Cb 0.43 -2.93 -0.13 0.00 -0.02 0.00 0.00 33.50 30.86 3i7h n PRO 588 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3i7h h ARG 589 N 8.81 0.08 -4.09 -0.52 1.12 -0.12 -3.42 114.38 116.25 3i7h h ARG 589 Ca -0.47 -0.14 -0.15 0.00 -1.11 0.00 0.00 59.98 58.12 3i7h h ARG 589 Cb 1.22 0.05 -0.18 0.00 -0.01 0.00 0.00 29.97 31.05 3i7h h ARG 589 CO 0.95 1.07 -0.69 0.45 -3.11 0.00 0.00 179.97 178.63 3i7h s SER 590 N -6.64 0.35 0.02 -3.80 0.15 -1.02 -4.73 113.70 98.04 3i7h s SER 590 Ca -0.21 -0.71 0.01 0.00 0.70 0.00 0.00 55.95 55.73 3i7h s SER 590 Cb 0.01 0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3i7h s SER 590 CO 0.69 -0.43 -0.05 -0.51 1.20 0.00 0.00 173.24 174.15 3i7h s ILE 591 N -2.52 0.29 -0.22 6.45 2.07 -1.26 -1.35 121.20 124.66 3i7h s ILE 591 Ca -0.06 -0.76 -0.12 0.00 -1.41 0.00 0.00 60.65 58.30 3i7h s ILE 591 Cb -0.02 -0.37 0.07 0.00 0.13 0.00 0.00 42.46 42.27 3i7h s ILE 591 CO -0.05 -0.31 0.54 -0.22 -1.91 0.00 0.00 174.94 172.99 3i7h s LEU 592 N -1.13 -0.51 -0.17 8.50 2.96 -0.98 -4.60 118.68 122.75 3i7h s LEU 592 Ca -0.09 1.18 -0.07 0.00 -0.22 0.00 0.00 54.13 54.94 3i7h s LEU 592 Cb -0.08 1.82 -0.04 0.00 0.50 0.00 0.00 46.19 48.39 3i7h s LEU 592 CO -0.00 -0.22 0.05 0.00 -1.32 0.00 0.00 176.35 174.86 3i7h s MET 593 N 1.59 3.82 0.00 1.98 0.23 -1.26 -1.63 119.30 124.04 3i7h s MET 593 Ca -0.09 -0.35 0.01 0.00 -1.03 0.00 0.00 55.69 54.22 3i7h s MET 593 Cb -0.07 -3.14 -0.01 0.00 -1.53 0.00 0.00 34.83 30.08 3i7h s MET 593 CO -0.16 0.35 -0.03 0.95 -2.03 0.00 0.00 175.02 174.10 3i7h s THR 594 N 0.15 0.21 -0.43 3.16 -4.23 -0.51 -4.93 115.64 109.06 3i7h s THR 594 Ca 0.04 -0.26 -0.22 0.00 -1.18 0.00 0.00 61.69 60.08 3i7h s THR 594 Cb -0.12 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.53 3i7h s THR 594 CO 0.01 -0.03 0.71 -0.89 -0.54 0.00 0.00 174.62 173.87 3i7h s THR 595 N -0.30 4.75 0.00 3.99 2.01 -1.26 -2.75 115.64 122.09 3i7h s THR 595 Ca -0.02 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.33 3i7h s THR 595 Cb -0.03 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.25 3i7h s THR 595 CO -0.00 -0.60 0.00 0.49 -0.69 0.00 0.00 174.62 173.81 3i7h n PHE 596 N 6.44 0.00 0.00 4.92 0.99 -1.26 -4.93 117.46 123.62 3i7h n PHE 596 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i7h n PHE 596 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.96 3i7h n PHE 596 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3i7h n GLU 597 N 0.00 0.00 -2.38 -1.08 4.71 -1.26 -5.00 120.64 115.63 3i7h n GLU 597 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 3i7h n GLU 597 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 3i7h n GLU 597 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3i7h n SER 598 N -0.87 3.54 -3.15 1.62 7.64 -1.26 -4.85 113.62 116.28 3i7h n SER 598 Ca 0.00 -3.07 0.04 0.00 1.01 0.00 0.00 58.87 56.85 3i7h n SER 598 Cb 0.00 -0.41 -0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3i7h n SER 598 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3i7h s SER 599 N -3.65 -1.37 -0.07 6.43 0.01 -1.26 -5.14 113.70 108.65 3i7h s SER 599 Ca 0.41 0.42 -0.30 0.00 1.31 0.00 0.00 55.95 57.79 3i7h s SER 599 Cb 0.38 1.97 -0.05 0.00 0.21 0.00 0.00 66.02 68.53 3i7h s SER 599 CO -0.00 -0.25 1.56 -1.00 0.41 0.00 0.00 173.24 173.96 3i7h s HIS 600 N 2.86 2.20 0.13 2.43 0.09 -1.25 -4.54 115.29 117.21 3i7h s HIS 600 Ca 0.15 0.39 0.06 0.00 -0.00 0.00 0.00 55.06 55.65 3i7h s HIS 600 Cb -0.11 -3.82 -0.04 0.00 -0.00 0.00 0.00 32.58 28.61 3i7h s HIS 600 CO -0.23 -3.35 0.02 0.71 -0.00 0.00 0.00 174.74 171.88 3i7h s TYR 601 N 3.84 2.96 -0.10 1.40 1.51 -1.11 -0.24 117.35 125.61 3i7h s TYR 601 Ca 0.69 -0.06 -0.07 0.00 -1.01 0.00 0.00 57.07 56.62 3i7h s TYR 601 Cb -0.31 -1.48 0.03 0.00 -0.11 0.00 0.00 41.96 40.10 3i7h s TYR 601 CO 0.26 0.50 0.25 -1.17 -1.11 0.00 0.00 175.55 174.28 3i7h s LEU 602 N -2.63 0.74 0.28 -1.29 2.96 0.13 -1.42 118.68 117.45 3i7h s LEU 602 Ca 0.27 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 3i7h s LEU 602 Cb -0.11 0.80 -0.06 0.00 0.50 0.00 0.00 46.19 47.33 3i7h s LEU 602 CO 0.19 -0.12 0.08 -0.76 -1.32 0.00 0.00 176.35 174.42 3i7h s LEU 603 N 0.67 1.83 -0.08 -0.68 1.43 -0.65 -1.02 118.68 120.18 3i7h s LEU 603 Ca -0.04 -1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 51.65 3i7h s LEU 603 Cb -0.06 -0.11 0.05 0.00 0.03 0.00 0.00 46.19 46.09 3i7h s LEU 603 CO -0.04 -0.68 0.15 0.00 0.23 0.00 0.00 176.35 176.01 3i7h s ALA 605 N 2.28 3.59 0.54 0.00 0.00 -0.45 -1.78 121.76 125.95 3i7h s ALA 605 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3i7h s ALA 605 Cb -0.12 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3i7h s ALA 605 CO -0.06 0.23 0.00 1.28 0.00 0.00 0.00 175.76 177.21 3i7h n LEU 606 N 2.82 0.00 0.00 0.00 4.77 -0.36 0.45 117.00 124.68 3i7h n LEU 606 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3i7h n LEU 606 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3i7h n LEU 606 CO 0.40 0.00 -0.32 0.61 -1.33 0.00 0.00 177.39 176.75 3i7h n GLY 607 N 5.00 0.25 0.20 -0.72 0.00 -1.00 -3.65 105.19 105.27 3i7h n GLY 607 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3i7h n GLY 607 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3i7h h ASP 608 N 0.00 0.00 0.00 1.61 -0.00 -1.86 -2.99 116.42 113.18 3i7h h ASP 608 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i7h h ASP 608 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3i7h h ASP 608 CO 0.00 0.29 0.00 0.61 -0.00 0.00 0.00 179.24 180.14 3i7h n GLY 609 N 0.48 0.40 3.80 7.15 0.00 -1.26 -4.16 105.19 111.61 3i7h n GLY 609 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3i7h n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7h s ALA 610 N -1.19 2.62 -0.02 4.61 0.00 -1.26 -2.83 121.76 123.69 3i7h s ALA 610 Ca 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 51.96 52.16 3i7h s ALA 610 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3i7h s ALA 610 CO 0.00 -1.19 0.08 -1.17 0.00 0.00 0.00 175.76 173.48 3i7h s LEU 611 N -5.25 1.72 0.07 0.00 0.20 -1.26 -1.22 118.68 112.94 3i7h s LEU 611 Ca 0.61 -0.04 0.07 0.00 0.69 0.00 0.00 54.13 55.46 3i7h s LEU 611 Cb -0.16 0.38 -0.03 0.00 -0.43 0.00 0.00 46.19 45.96 3i7h s LEU 611 CO 0.49 -0.17 -0.20 -0.36 -0.29 0.00 0.00 176.35 175.82 3i7h s PHE 612 N -0.62 1.70 -0.01 5.38 0.40 -0.73 -2.14 117.98 121.95 3i7h s PHE 612 Ca -0.07 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 3i7h s PHE 612 Cb -0.04 -0.97 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 3i7h s PHE 612 CO 0.00 0.13 -0.16 1.52 0.70 0.00 0.00 175.22 177.42 3i7h s TYR 613 N -0.99 1.41 -0.11 0.36 -0.00 -1.26 -1.48 117.35 115.28 3i7h s TYR 613 Ca 0.06 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.07 56.82 3i7h s TYR 613 Cb -0.09 -0.91 0.06 0.00 -0.00 0.00 0.00 41.96 41.02 3i7h s TYR 613 CO 0.03 -0.03 0.22 -0.06 -0.00 0.00 0.00 175.55 175.71 3i7h s PHE 614 N -0.36 -0.33 1.05 -3.49 0.40 -0.18 -4.30 117.98 110.77 3i7h s PHE 614 Ca 0.06 0.83 -0.15 0.00 -0.60 0.00 0.00 56.93 57.06 3i7h s PHE 614 Cb -0.06 -0.11 0.22 0.00 0.51 0.00 0.00 43.02 43.58 3i7h s PHE 614 CO -0.01 -0.31 1.14 0.20 0.70 0.00 0.00 175.22 176.94 3i7h s GLY 615 N 2.27 1.60 -0.00 4.36 0.00 -1.26 0.21 107.32 114.49 3i7h s GLY 615 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 3i7h s GLY 615 CO -0.08 -0.01 1.27 -2.27 0.00 0.00 0.00 173.10 172.02 3i7h s LEU 616 N -6.48 -0.01 -0.20 0.66 2.96 0.66 -3.73 118.68 112.55 3i7h s LEU 616 Ca 0.68 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 54.28 3i7h s LEU 616 Cb -0.13 1.37 -0.05 0.00 0.50 0.00 0.00 46.19 47.89 3i7h s LEU 616 CO 0.55 -0.33 0.12 0.20 -1.32 0.00 0.00 176.35 175.57 3i7h s ASN 617 N -3.59 6.07 0.60 3.68 0.01 -1.26 -3.86 114.94 116.59 3i7h s ASN 617 Ca 0.25 0.18 0.38 0.00 -0.71 0.00 0.00 52.86 52.96 3i7h s ASN 617 Cb 0.01 -2.07 1.85 0.00 0.41 0.00 0.00 41.25 41.45 3i7h s ASN 617 CO -0.01 0.16 2.16 0.16 -1.51 0.00 0.00 177.10 178.06 3i7h h ILE 618 N 4.78 0.04 0.05 0.60 3.07 -1.94 -2.87 117.51 121.23 3i7h h ILE 618 Ca -0.40 -0.29 -0.11 0.00 1.55 0.00 0.00 64.86 65.61 3i7h h ILE 618 Cb 1.16 1.28 0.01 0.00 -0.27 0.00 0.00 36.82 39.00 3i7h h ILE 618 CO 0.73 0.01 -0.45 -0.33 -1.05 0.00 0.00 178.15 177.05 3i7h h GLU 619 N 0.00 0.22 0.00 0.16 4.39 -1.98 -3.45 114.58 113.92 3i7h h GLU 619 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3i7h h GLU 619 Cb 0.28 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3i7h h GLU 619 CO 0.00 1.08 0.00 0.25 -1.16 0.00 0.00 179.01 179.18 3i7h n THR 620 N -4.35 0.00 0.00 1.13 -2.24 -1.08 -5.11 114.28 102.63 3i7h n THR 620 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3i7h n THR 620 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3i7h n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7h n GLY 621 N 1.91 2.08 2.95 3.38 0.00 -1.24 -4.72 105.19 109.54 3i7h n GLY 621 Ca 0.00 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3i7h n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7h s LEU 622 N 0.00 1.50 -0.47 0.99 1.02 -1.26 -4.91 118.68 115.55 3i7h s LEU 622 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 54.13 53.39 3i7h s LEU 622 Cb 0.00 -0.99 -0.10 0.00 0.02 0.00 0.00 46.19 45.12 3i7h s LEU 622 CO 0.00 -0.11 2.36 0.18 0.02 0.00 0.00 176.35 178.80 3i7h n LEU 623 N 4.86 2.19 0.00 1.79 4.77 -1.26 -4.42 117.00 124.93 3i7h n LEU 623 Ca -0.14 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3i7h n LEU 623 Cb 0.49 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3i7h n LEU 623 CO 0.18 -1.07 0.00 -1.20 -1.33 0.00 0.00 177.39 173.97 3i7h n SER 624 N 12.85 0.00 -4.72 -1.43 7.64 -1.24 -5.01 113.62 121.71 3i7h n SER 624 Ca 0.41 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.87 3i7h n SER 624 Cb 0.38 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 3i7h n SER 624 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3i7h s ASP 625 N -1.00 6.69 -0.29 6.43 1.11 -1.26 -4.91 116.67 123.44 3i7h s ASP 625 Ca 0.00 2.49 0.03 0.00 0.18 0.00 0.00 52.55 55.25 3i7h s ASP 625 Cb 0.00 -2.59 0.07 0.00 1.07 0.00 0.00 42.92 41.47 3i7h s ASP 625 CO 0.00 -0.75 -0.04 -0.60 1.18 0.00 0.00 175.17 174.97 3i7h s ARG 626 N 1.06 2.01 -0.26 8.23 3.52 -1.26 -4.20 118.95 128.05 3i7h s ARG 626 Ca 0.67 -1.53 -0.03 0.00 -0.13 0.00 0.00 55.73 54.71 3i7h s ARG 626 Cb -0.41 -3.04 0.10 0.00 -1.56 0.00 0.00 34.95 30.04 3i7h s ARG 626 CO 0.31 -0.71 0.19 0.15 -0.81 0.00 0.00 175.30 174.43 3i7h s LYS 627 N 1.05 0.21 -0.36 5.12 1.02 -1.26 -4.90 119.74 120.62 3i7h s LYS 627 Ca -0.02 -0.22 -0.34 0.00 0.02 0.00 0.00 55.97 55.42 3i7h s LYS 627 Cb -0.20 -1.10 -0.11 0.00 -0.52 0.00 0.00 37.83 35.90 3i7h s LYS 627 CO -0.06 -0.91 2.23 1.17 -0.92 0.00 0.00 175.35 176.86 3i7h n LYS 628 N 5.29 1.14 -3.80 1.68 4.81 -1.26 -4.62 118.16 121.40 3i7h n LYS 628 Ca -0.05 0.29 -0.34 0.00 -0.87 0.00 0.00 58.31 57.35 3i7h n LYS 628 Cb 0.46 -2.58 -0.11 0.00 0.02 0.00 0.00 35.03 32.82 3i7h n LYS 628 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3i7h s VAL 629 N 7.78 3.32 1.06 3.15 -7.23 -0.91 -4.99 120.40 122.58 3i7h s VAL 629 Ca 1.09 -3.19 -0.12 0.00 -1.81 0.00 0.00 61.98 57.95 3i7h s VAL 629 Cb -0.77 -3.20 0.20 0.00 0.56 0.00 0.00 36.38 33.17 3i7h s VAL 629 CO 0.46 -0.87 0.92 0.35 -0.31 0.00 0.00 175.10 175.66 3i7h n THR 630 N 3.23 0.00 0.00 5.32 -2.24 -1.26 -3.97 114.28 115.36 3i7h n THR 630 Ca 0.08 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3i7h n THR 630 Cb 0.36 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 3i7h n THR 630 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3i7h n LEU 631 N -4.11 0.00 0.00 3.22 4.77 -1.13 -4.91 117.00 114.84 3i7h n LEU 631 Ca 0.06 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.77 3i7h n LEU 631 Cb 0.54 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.86 3i7h n LEU 631 CO 0.53 0.00 0.57 0.61 -1.33 0.00 0.00 177.39 177.77 3i7h n GLY 632 N 0.00 -2.73 0.00 -0.72 0.00 -1.26 -4.88 105.19 95.61 3i7h n GLY 632 Ca 0.00 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.62 3i7h n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i7h n THR 633 N -4.67 0.00 -3.48 2.61 -2.24 -1.26 -4.22 114.28 101.02 3i7h n THR 633 Ca 0.14 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.55 3i7h n THR 633 Cb 0.54 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 3i7h n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i7h s GLN 634 N -2.95 3.83 -0.20 -0.78 -1.52 -1.26 -4.05 119.66 112.73 3i7h s GLN 634 Ca 0.07 0.28 -0.34 0.00 -1.95 0.00 0.00 55.36 53.42 3i7h s GLN 634 Cb 0.15 -2.89 -0.11 0.00 -0.22 0.00 0.00 33.01 29.95 3i7h s GLN 634 CO 0.84 0.48 2.03 -0.35 -0.25 0.00 0.00 175.29 178.04 3i7h n PRO 635 N 0.59 1.75 -2.06 2.91 -0.04 -1.13 -4.27 135.00 132.75 3i7h n PRO 635 Ca -0.05 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.57 3i7h n PRO 635 Cb 0.52 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 3i7h n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7h s THR 636 N 5.79 2.83 -0.29 0.52 2.01 -1.24 -4.72 115.64 120.55 3i7h s THR 636 Ca 1.00 0.67 0.01 0.00 0.31 0.00 0.00 61.69 63.68 3i7h s THR 636 Cb -0.70 -3.43 0.06 0.00 0.01 0.00 0.00 72.50 68.44 3i7h s THR 636 CO 0.49 0.09 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.77 3i7h s VAL 637 N 0.28 2.50 1.18 3.82 1.01 0.33 -4.21 120.40 125.31 3i7h s VAL 637 Ca 0.61 -1.63 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 3i7h s VAL 637 Cb -0.40 -2.50 0.28 0.00 0.00 0.00 0.00 36.38 33.75 3i7h s VAL 637 CO 0.39 -0.13 1.04 -0.76 0.00 0.00 0.00 175.10 175.64 3i7h s LEU 638 N 1.13 0.62 -0.27 3.92 1.02 -1.26 -2.28 118.68 121.56 3i7h s LEU 638 Ca -0.05 1.19 -0.34 0.00 0.02 0.00 0.00 54.13 54.94 3i7h s LEU 638 Cb -0.20 -3.05 0.17 0.00 0.02 0.00 0.00 46.19 43.13 3i7h s LEU 638 CO -0.04 -4.16 1.33 -0.60 0.02 0.00 0.00 176.35 172.90 3i7h s ARG 639 N -4.80 0.10 -0.03 1.70 6.06 -1.23 -4.89 118.95 115.87 3i7h s ARG 639 Ca 0.68 -0.01 0.07 0.00 -2.50 0.00 0.00 55.73 53.96 3i7h s ARG 639 Cb -0.20 0.05 -0.02 0.00 0.06 0.00 0.00 34.95 34.84 3i7h s ARG 639 CO 0.61 -0.04 -0.23 0.99 -2.50 0.00 0.00 175.30 174.13 3i7h s THR 640 N -1.66 2.35 0.37 4.11 2.01 -1.26 -2.12 115.64 119.43 3i7h s THR 640 Ca 0.10 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.15 3i7h s THR 640 Cb -0.01 -1.85 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3i7h s THR 640 CO -0.05 0.58 0.23 0.72 -0.69 0.00 0.00 174.62 175.41 3i7h s PHE 641 N -0.65 1.77 -0.00 4.92 -0.12 -1.22 -4.58 117.98 118.11 3i7h s PHE 641 Ca 0.11 -1.54 0.07 0.00 -0.05 0.00 0.00 56.93 55.51 3i7h s PHE 641 Cb -0.10 -0.88 -0.03 0.00 -0.63 0.00 0.00 43.02 41.38 3i7h s PHE 641 CO -0.00 -0.67 -0.21 0.50 -0.05 0.00 0.00 175.22 174.78 3i7h s ARG 642 N -3.53 2.15 0.00 1.99 3.52 -1.26 -4.09 118.95 117.73 3i7h s ARG 642 Ca 0.34 -0.91 0.00 0.00 -0.13 0.00 0.00 55.73 55.03 3i7h s ARG 642 Cb 0.02 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 3i7h s ARG 642 CO 0.23 0.56 0.00 -1.13 -0.81 0.00 0.00 175.30 174.15 3i7h n SER 643 N 2.11 0.00 0.00 -2.12 3.41 -1.26 -4.84 113.62 110.92 3i7h n SER 643 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3i7h n SER 643 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3i7h n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7h n LEU 644 N 0.00 0.00 0.00 1.04 -0.00 -1.26 -4.98 117.00 111.80 3i7h n LEU 644 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3i7h n LEU 644 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3i7h n LEU 644 CO 0.00 0.00 0.04 -1.54 -0.00 0.00 0.00 177.39 175.89 3i7h n SER 645 N 0.00 0.00 -4.76 1.45 3.41 -1.26 -4.85 113.62 107.62 3i7h n SER 645 Ca 0.00 0.47 -0.40 0.00 -0.26 0.00 0.00 58.87 58.68 3i7h n SER 645 Cb 0.00 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 3i7h n SER 645 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i7h s THR 646 N -1.01 3.79 0.15 6.66 -4.23 -1.26 -5.07 115.64 114.68 3i7h s THR 646 Ca 0.00 1.76 0.09 0.00 -1.18 0.00 0.00 61.69 62.36 3i7h s THR 646 Cb 0.00 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.69 3i7h s THR 646 CO 0.00 0.39 -0.14 0.42 -0.54 0.00 0.00 174.62 174.75 3i7h s THR 647 N -1.22 3.03 0.38 3.99 -4.23 -1.26 -4.62 115.64 111.70 3i7h s THR 647 Ca 0.44 -1.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.38 3i7h s THR 647 Cb -0.28 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 3i7h s THR 647 CO 0.35 -0.02 0.09 0.59 -0.54 0.00 0.00 174.62 175.09 3i7h n ASN 648 N 0.37 1.81 -4.68 3.99 3.02 -1.26 -4.93 115.26 113.58 3i7h n ASN 648 Ca -0.13 -2.89 -0.38 0.00 -0.03 0.00 0.00 54.58 51.16 3i7h n ASN 648 Cb 0.54 0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 40.35 3i7h n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7h s VAL 649 N -2.78 5.23 -0.35 2.41 1.01 -1.19 -3.37 120.40 121.36 3i7h s VAL 649 Ca 0.12 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.70 3i7h s VAL 649 Cb 0.01 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.75 3i7h s VAL 649 CO 0.09 0.28 0.11 0.12 0.00 0.00 0.00 175.10 175.71 3i7h s PHE 650 N 1.13 3.34 -0.13 5.22 5.99 -0.90 -0.97 117.98 131.65 3i7h s PHE 650 Ca 0.18 -1.79 -0.29 0.00 0.00 0.00 0.00 56.93 55.03 3i7h s PHE 650 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 43.02 40.31 3i7h s PHE 650 CO 0.07 -0.82 1.68 0.00 -0.00 0.00 0.00 175.22 176.15 3i7h s ALA 651 N 1.30 3.41 -0.27 11.12 0.00 -0.73 -3.52 121.76 133.08 3i7h s ALA 651 Ca -0.00 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 3i7h s ALA 651 Cb -0.21 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.05 3i7h s ALA 651 CO 0.00 -1.72 0.21 0.00 0.00 0.00 0.00 175.76 174.25 3i7h n SER 653 N 4.89 0.00 0.27 0.00 3.41 -0.68 -0.51 113.62 121.00 3i7h n SER 653 Ca -0.13 -0.41 0.15 0.00 -0.26 0.00 0.00 58.87 58.22 3i7h n SER 653 Cb 0.52 0.00 0.76 0.00 -0.26 0.00 0.00 64.21 65.22 3i7h n SER 653 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3i7h h ASP 654 N 0.00 0.00 -2.64 4.04 2.03 -1.83 -2.96 116.42 115.06 3i7h h ASP 654 Ca 0.00 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.66 3i7h h ASP 654 Cb 0.00 0.00 -0.39 0.00 -0.83 0.00 0.00 39.33 38.11 3i7h h ASP 654 CO 0.00 0.08 -0.35 -1.14 -1.03 0.00 0.00 179.24 176.80 3i7h n ARG 655 N -3.34 2.63 -1.61 4.15 0.63 -1.26 -4.62 116.66 113.24 3i7h n ARG 655 Ca -0.01 -4.60 -0.51 0.00 -0.92 0.00 0.00 57.85 51.81 3i7h n ARG 655 Cb 0.26 -2.32 -0.06 0.00 0.45 0.00 0.00 32.46 30.79 3i7h n ARG 655 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3i7h n PRO 656 N 1.36 1.53 -4.46 -0.14 -0.02 -1.24 -4.39 135.00 127.64 3i7h n PRO 656 Ca 0.26 0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 62.02 3i7h n PRO 656 Cb 0.38 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3i7h n PRO 656 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7h s THR 657 N 5.21 2.42 -0.04 3.45 2.01 -0.96 -0.57 115.64 127.15 3i7h s THR 657 Ca 1.00 -2.37 0.02 0.00 0.31 0.00 0.00 61.69 60.65 3i7h s THR 657 Cb -0.83 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 69.42 3i7h s THR 657 CO 0.54 -0.40 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 3i7h s VAL 658 N -2.49 0.71 -0.32 3.82 1.01 -0.63 -1.77 120.40 120.73 3i7h s VAL 658 Ca 0.29 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3i7h s VAL 658 Cb -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.67 3i7h s VAL 658 CO 0.14 0.25 0.10 -0.63 0.00 0.00 0.00 175.10 174.96 3i7h s ILE 659 N 0.69 3.93 0.00 2.22 1.01 -0.15 -2.79 121.20 126.12 3i7h s ILE 659 Ca -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3i7h s ILE 659 Cb -0.14 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.22 3i7h s ILE 659 CO 0.01 -0.04 0.00 -1.22 0.00 0.00 0.00 174.94 173.69 3i7h n TYR 660 N 4.85 0.00 -3.60 3.97 4.02 -0.22 -3.19 117.16 122.99 3i7h n TYR 660 Ca -0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.55 3i7h n TYR 660 Cb 0.47 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.63 3i7h n TYR 660 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i7h s SER 661 N -1.00 1.53 0.00 7.72 0.01 -1.26 -2.82 113.70 117.89 3i7h s SER 661 Ca 0.00 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3i7h s SER 661 Cb 0.00 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.30 3i7h s SER 661 CO 0.00 -0.30 0.00 -0.24 0.41 0.00 0.00 173.24 173.11 3i7h n SER 662 N 5.30 0.00 -0.07 2.44 2.88 0.46 -4.68 113.62 119.95 3i7h n SER 662 Ca -0.05 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.44 3i7h n SER 662 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 3i7h n SER 662 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3i7h h ASN 663 N 0.00 -0.63 0.00 -3.46 -1.24 -1.97 -3.37 115.58 104.91 3i7h h ASN 663 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3i7h h ASN 663 Cb 0.00 0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3i7h h ASN 663 CO 0.00 -0.11 -0.00 1.57 -1.29 0.00 0.00 177.43 177.60 3i7h n HIS 664 N -3.61 0.00 0.00 0.67 -0.00 -1.26 -4.95 115.22 106.07 3i7h n HIS 664 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 3i7h n HIS 664 Cb 0.10 0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 3i7h n HIS 664 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 3i7h n LYS 665 N 0.00 1.75 -4.07 1.57 4.81 -1.26 -4.92 118.16 116.04 3i7h n LYS 665 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.27 3i7h n LYS 665 Cb 0.50 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.39 3i7h n LYS 665 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i7h s LEU 666 N 0.00 1.47 0.19 3.14 1.43 -1.26 -0.40 118.68 123.24 3i7h s LEU 666 Ca 0.00 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.82 3i7h s LEU 666 Cb 0.00 -0.30 -0.08 0.00 0.03 0.00 0.00 46.19 45.84 3i7h s LEU 666 CO 0.00 -0.04 0.71 -0.69 0.23 0.00 0.00 176.35 176.56 3i7h s VAL 667 N 0.65 4.55 -0.32 -1.59 1.01 -1.13 -4.52 120.40 119.05 3i7h s VAL 667 Ca -0.07 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.28 3i7h s VAL 667 Cb -0.11 -3.92 0.08 0.00 0.00 0.00 0.00 36.38 32.43 3i7h s VAL 667 CO -0.01 0.33 0.03 -0.36 0.00 0.00 0.00 175.10 175.09 3i7h s PHE 668 N -1.38 3.50 0.07 5.22 0.40 -1.26 -1.06 117.98 123.48 3i7h s PHE 668 Ca 0.39 -2.49 0.08 0.00 -0.60 0.00 0.00 56.93 54.32 3i7h s PHE 668 Cb -0.18 -2.56 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 3i7h s PHE 668 CO 0.22 -0.91 -0.23 0.45 0.70 0.00 0.00 175.22 175.46 3i7h s SER 669 N 1.19 2.73 0.51 1.36 0.15 -1.12 -4.75 113.70 113.79 3i7h s SER 669 Ca 0.02 -0.61 -0.21 0.00 0.70 0.00 0.00 55.95 55.85 3i7h s SER 669 Cb -0.20 -0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 63.84 3i7h s SER 669 CO -0.05 0.15 1.17 0.20 1.20 0.00 0.00 173.24 175.92 3i7h s ASN 670 N -1.50 5.81 -0.19 5.45 0.01 -1.26 -1.60 114.94 121.65 3i7h s ASN 670 Ca 0.09 2.31 -0.07 0.00 -0.71 0.00 0.00 52.86 54.48 3i7h s ASN 670 Cb -0.09 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3i7h s ASN 670 CO 0.03 -1.17 0.05 -0.69 -1.51 0.00 0.00 177.10 173.81 3i7h s VAL 671 N -1.61 4.60 -1.44 1.60 1.01 0.26 0.37 120.40 125.19 3i7h s VAL 671 Ca 0.69 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 3i7h s VAL 671 Cb -0.28 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.08 3i7h s VAL 671 CO 0.33 0.45 2.18 0.59 0.00 0.00 0.00 175.10 178.64 3i7h n ASN 672 N 3.74 4.03 -4.17 3.32 3.02 0.32 -4.65 115.26 120.88 3i7h n ASN 672 Ca -0.17 -2.87 -0.10 0.00 -0.03 0.00 0.00 54.58 51.41 3i7h n ASN 672 Cb 0.52 -1.64 -0.10 0.00 -0.61 0.00 0.00 39.78 37.95 3i7h n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i7h s LEU 673 N 2.02 2.41 0.06 3.41 1.43 -1.26 -4.76 118.68 121.98 3i7h s LEU 673 Ca 0.46 -1.04 -0.35 0.00 -1.03 0.00 0.00 54.13 52.17 3i7h s LEU 673 Cb 0.13 -0.01 -0.19 0.00 0.03 0.00 0.00 46.19 46.16 3i7h s LEU 673 CO -0.07 -0.52 1.52 0.50 0.23 0.00 0.00 176.35 178.01 3i7h h LYS 674 N 2.95 -1.17 -1.07 1.70 1.63 -1.93 -3.45 116.57 115.22 3i7h h LYS 674 Ca -0.35 0.08 0.20 0.00 -0.85 0.00 0.00 60.65 59.73 3i7h h LYS 674 Cb 1.17 0.27 -0.32 0.00 -0.60 0.00 0.00 32.23 32.75 3i7h h LYS 674 CO 0.64 -0.78 0.69 -2.00 -3.45 0.00 0.00 179.45 174.55 3i7h s GLU 675 N -5.73 0.09 0.14 1.90 2.12 -1.26 -4.84 118.70 111.11 3i7h s GLU 675 Ca -0.18 0.16 0.07 0.00 0.36 0.00 0.00 54.97 55.38 3i7h s GLU 675 Cb 0.02 0.02 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 3i7h s GLU 675 CO 0.55 -0.02 -0.03 0.08 -0.54 0.00 0.00 175.26 175.30 3i7h s VAL 676 N 1.15 3.66 0.00 3.70 1.01 -1.12 -4.38 120.40 124.42 3i7h s VAL 676 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 60.59 3i7h s VAL 676 Cb -0.02 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3i7h s VAL 676 CO -0.11 -0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.57 3i7h n ASN 677 N 0.24 3.44 -4.06 3.32 3.02 -0.90 -1.69 115.26 118.62 3i7h n ASN 677 Ca -0.11 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.25 3i7h n ASN 677 Cb 0.54 0.10 -0.14 0.00 -0.61 0.00 0.00 39.78 39.67 3i7h n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i7h s TYR 678 N -1.81 0.95 -0.17 3.10 1.51 -1.25 -4.72 117.35 114.96 3i7h s TYR 678 Ca 0.00 -0.24 -0.07 0.00 -1.01 0.00 0.00 57.07 55.76 3i7h s TYR 678 Cb 0.00 -0.59 0.08 0.00 -0.11 0.00 0.00 41.96 41.33 3i7h s TYR 678 CO 0.00 -0.01 0.37 1.41 -1.11 0.00 0.00 175.55 176.21 3i7h s MET 679 N -0.56 0.28 0.07 -0.62 -2.45 -1.26 -1.66 119.30 113.09 3i7h s MET 679 Ca 0.02 0.90 0.08 0.00 -1.25 0.00 0.00 55.69 55.44 3i7h s MET 679 Cb -0.05 0.17 -0.03 0.00 1.25 0.00 0.00 34.83 36.16 3i7h s MET 679 CO 0.00 -0.24 -0.22 0.00 1.05 0.00 0.00 175.02 175.61 3i7h s PRO 681 N -1.45 0.08 0.38 0.00 0.02 -1.26 0.10 135.00 132.87 3i7h s PRO 681 Ca 0.08 -0.01 -0.09 0.00 0.02 0.00 0.00 61.00 61.00 3i7h s PRO 681 Cb -0.09 -1.74 0.04 0.00 0.02 0.00 0.00 34.50 32.72 3i7h s PRO 681 CO 0.03 -2.86 0.67 -0.11 -0.33 0.00 0.00 177.00 174.40 3i7h n LEU 682 N -4.17 0.00 -0.48 -5.54 7.94 -1.18 -4.62 117.00 108.95 3i7h n LEU 682 Ca 0.11 -2.71 -0.01 0.00 -1.11 0.00 0.00 56.01 52.29 3i7h n LEU 682 Cb 0.59 3.30 -0.01 0.00 0.53 0.00 0.00 43.42 47.83 3i7h n LEU 682 CO 0.50 -0.78 0.04 -3.20 -1.11 0.00 0.00 177.39 172.85 3i7h n ASN 683 N -1.56 -0.11 -3.05 1.96 5.15 -1.26 -3.71 115.26 112.68 3i7h n ASN 683 Ca -0.05 -0.24 -0.14 0.00 -0.60 0.00 0.00 54.58 53.55 3i7h n ASN 683 Cb 0.59 0.03 0.13 0.00 -0.53 0.00 0.00 39.78 40.00 3i7h n ASN 683 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3i7h n SER 684 N 0.00 -2.39 -1.43 1.20 3.41 -1.14 -4.19 113.62 109.08 3i7h n SER 684 Ca -0.03 -0.57 0.11 0.00 -0.26 0.00 0.00 58.87 58.12 3i7h n SER 684 Cb 0.27 -0.46 0.34 0.00 -0.26 0.00 0.00 64.21 64.09 3i7h n SER 684 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i7h n ASP 685 N -4.13 4.23 0.00 4.04 5.75 -1.26 -2.91 116.55 122.27 3i7h n ASP 685 Ca 0.07 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 3i7h n ASP 685 Cb 0.27 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 3i7h n ASP 685 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i7h n GLY 686 N 1.50 0.00 2.46 6.12 0.00 -1.23 -4.47 105.19 109.57 3i7h n GLY 686 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3i7h n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i7h n TYR 687 N -0.80 -1.77 -0.31 1.61 4.01 -1.26 -4.70 117.16 113.94 3i7h n TYR 687 Ca 0.00 -2.71 -0.18 0.00 -0.16 0.00 0.00 57.90 54.85 3i7h n TYR 687 Cb 0.07 0.58 0.18 0.00 -0.31 0.00 0.00 39.34 39.86 3i7h n TYR 687 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3i7h n PRO 688 N 1.40 -2.59 0.00 -0.72 -0.02 -1.15 -2.87 135.00 129.06 3i7h n PRO 688 Ca 0.15 -0.88 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 3i7h n PRO 688 Cb 0.59 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3i7h n PRO 688 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i7h n ASP 689 N -3.10 0.00 0.00 2.55 4.64 -1.26 -4.62 116.55 114.76 3i7h n ASP 689 Ca 0.08 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.49 3i7h n ASP 689 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.44 3i7h n ASP 689 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3i7h n SER 690 N 0.00 0.13 -3.49 1.67 2.88 -1.24 -4.79 113.62 108.78 3i7h n SER 690 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3i7h n SER 690 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3i7h n SER 690 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3i7h s LEU 691 N 0.00 -0.58 0.06 2.46 1.43 -0.72 -3.11 118.68 118.23 3i7h s LEU 691 Ca 0.00 0.37 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 3i7h s LEU 691 Cb 0.00 2.46 -0.03 0.00 0.03 0.00 0.00 46.19 48.65 3i7h s LEU 691 CO 0.00 -0.72 -0.24 0.00 0.23 0.00 0.00 176.35 175.62 3i7h s ALA 692 N -2.28 2.06 -0.18 4.21 0.00 0.29 -2.44 121.76 123.41 3i7h s ALA 692 Ca -0.04 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.59 3i7h s ALA 692 Cb -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 23.12 22.78 3i7h s ALA 692 CO -0.01 0.47 0.45 -0.51 0.00 0.00 0.00 175.76 176.16 3i7h s LEU 693 N -1.41 -0.18 -0.10 0.00 1.02 -0.10 -1.01 118.68 116.90 3i7h s LEU 693 Ca 0.10 0.97 0.03 0.00 0.02 0.00 0.00 54.13 55.25 3i7h s LEU 693 Cb -0.10 1.48 0.00 0.00 0.02 0.00 0.00 46.19 47.60 3i7h s LEU 693 CO 0.03 -0.20 -0.21 0.00 0.02 0.00 0.00 176.35 175.99 3i7h s ALA 694 N 1.37 2.00 0.01 4.21 0.00 -0.66 -0.48 121.76 128.21 3i7h s ALA 694 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3i7h s ALA 694 Cb -0.08 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3i7h s ALA 694 CO -0.13 0.19 0.00 0.27 0.00 0.00 0.00 175.76 176.09 3i7h n ASN 695 N 3.69 0.00 -0.26 0.00 6.94 -0.33 -2.12 115.26 123.18 3i7h n ASN 695 Ca -0.20 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.40 3i7h n ASN 695 Cb 0.52 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.03 3i7h n ASN 695 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3i7h n ASN 696 N 0.00 -0.29 -0.01 0.53 3.02 -1.26 -4.13 115.26 113.12 3i7h n ASN 696 Ca 0.00 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 3i7h n ASN 696 Cb 0.00 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 3i7h n ASN 696 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3i7h n SER 697 N -5.13 0.00 -4.34 6.41 3.41 -1.26 -2.55 113.62 110.16 3i7h n SER 697 Ca 0.11 -1.00 -0.27 0.00 -0.26 0.00 0.00 58.87 57.44 3i7h n SER 697 Cb 0.34 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.16 3i7h n SER 697 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i7h s THR 698 N 0.00 2.02 0.04 6.66 2.01 -1.26 -0.01 115.64 125.10 3i7h s THR 698 Ca 0.00 -1.57 0.06 0.00 0.31 0.00 0.00 61.69 60.49 3i7h s THR 698 Cb 0.00 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3i7h s THR 698 CO 0.00 0.11 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.66 3i7h s LEU 699 N -1.77 2.73 0.07 4.42 0.20 0.29 -1.19 118.68 123.43 3i7h s LEU 699 Ca 0.11 -0.38 -0.06 0.00 0.69 0.00 0.00 54.13 54.49 3i7h s LEU 699 Cb -0.10 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 44.06 3i7h s LEU 699 CO 0.04 0.25 0.12 -0.89 -0.29 0.00 0.00 176.35 175.58 3i7h s THR 700 N -0.95 0.17 -0.24 3.68 2.01 0.37 -2.65 115.64 118.01 3i7h s THR 700 Ca 0.15 -1.37 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 3i7h s THR 700 Cb -0.11 -1.36 0.13 0.00 0.01 0.00 0.00 72.50 71.17 3i7h s THR 700 CO 0.06 -0.75 0.39 0.27 -0.69 0.00 0.00 174.62 173.89 3i7h s ILE 701 N -3.79 -0.62 0.00 1.82 -0.00 -1.25 -0.93 121.20 116.44 3i7h s ILE 701 Ca 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3i7h s ILE 701 Cb 0.05 -0.80 0.00 0.00 -0.00 0.00 0.00 42.46 41.71 3i7h s ILE 701 CO -0.10 -0.10 0.00 0.61 -0.00 0.00 0.00 174.94 175.35 3i7h n GLY 702 N 5.37 3.69 3.06 6.27 0.00 -1.02 -2.85 105.19 119.71 3i7h n GLY 702 Ca -0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 3i7h n GLY 702 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i7h s THR 703 N -2.25 1.67 0.38 2.61 -4.23 -1.24 -1.75 115.64 110.82 3i7h s THR 703 Ca 0.00 -0.72 -0.24 0.00 -1.18 0.00 0.00 61.69 59.55 3i7h s THR 703 Cb 0.00 -1.53 -0.13 0.00 1.34 0.00 0.00 72.50 72.18 3i7h s THR 703 CO 0.00 0.47 0.73 -0.38 -0.54 0.00 0.00 174.62 174.91 3i7h n ILE 704 N 4.49 2.00 -0.13 2.99 2.08 -1.26 -4.10 119.36 125.44 3i7h n ILE 704 Ca -0.18 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.63 3i7h n ILE 704 Cb 0.51 -0.72 0.00 0.00 -0.75 0.00 0.00 39.64 38.67 3i7h n ILE 704 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3i7h n ASP 705 N 1.12 0.00 0.00 4.38 -0.08 -0.98 -5.01 116.55 115.97 3i7h n ASP 705 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3i7h n ASP 705 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3i7h n ASP 705 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3i7h n GLU 706 N 0.00 0.00 0.10 -0.67 4.07 -1.26 -4.98 120.64 117.89 3i7h n GLU 706 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i7h n GLU 706 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i7h n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i7h n ILE 707 N 0.00 0.00 -0.45 6.31 5.41 -1.26 -5.11 119.36 124.26 3i7h n ILE 707 Ca 0.00 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.47 3i7h n ILE 707 Cb 0.00 0.00 0.27 0.00 -0.71 0.00 0.00 39.64 39.20 3i7h n ILE 707 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 3i7h s GLN 708 N -2.00 -1.24 0.29 0.38 -0.21 -1.26 -4.88 119.66 110.73 3i7h s GLN 708 Ca 0.00 0.85 0.14 0.00 0.02 0.00 0.00 55.36 56.36 3i7h s GLN 708 Cb 0.00 -1.51 0.35 0.00 1.00 0.00 0.00 33.01 32.85 3i7h s GLN 708 CO 0.00 -3.94 1.58 -0.22 -2.12 0.00 0.00 175.29 170.59 3i7h h LYS 709 N -2.78 0.00 -6.14 2.91 3.64 -1.93 -3.42 116.57 108.85 3i7h h LYS 709 Ca -0.64 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.06 3i7h h LYS 709 Cb 1.34 0.00 -0.28 0.00 -0.41 0.00 0.00 32.23 32.88 3i7h h LYS 709 CO 0.50 0.56 -0.83 -0.51 -2.27 0.00 0.00 179.45 176.90 3i7h s LEU 710 N -7.08 2.38 -0.17 5.20 1.43 -1.26 -2.15 118.68 117.02 3i7h s LEU 710 Ca 0.00 -0.37 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3i7h s LEU 710 Cb 0.11 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 3i7h s LEU 710 CO 0.74 0.28 -0.02 -2.28 0.23 0.00 0.00 176.35 175.30 3i7h s HIS 711 N -0.37 3.03 -0.28 0.29 5.65 0.03 -4.96 115.29 118.67 3i7h s HIS 711 Ca 0.03 -0.37 0.02 0.00 0.25 0.00 0.00 55.06 55.00 3i7h s HIS 711 Cb -0.12 -2.01 0.07 0.00 -1.18 0.00 0.00 32.58 29.34 3i7h s HIS 711 CO 0.02 -0.12 -0.03 0.42 -0.65 0.00 0.00 174.74 174.38 3i7h s ILE 712 N 0.62 1.94 0.44 0.89 1.01 -1.26 -1.09 121.20 123.74 3i7h s ILE 712 Ca -0.02 -1.72 -0.23 0.00 0.00 0.00 0.00 60.65 58.68 3i7h s ILE 712 Cb -0.14 -2.23 -0.08 0.00 0.01 0.00 0.00 42.46 40.02 3i7h s ILE 712 CO 0.02 -0.26 1.10 -0.13 0.00 0.00 0.00 174.94 175.67 3i7h s ARG 713 N 1.16 3.94 0.01 2.79 1.81 -0.29 -4.91 118.95 123.46 3i7h s ARG 713 Ca -0.01 1.60 0.06 0.00 -1.72 0.00 0.00 55.73 55.67 3i7h s ARG 713 Cb -0.19 -2.42 -0.02 0.00 -0.45 0.00 0.00 34.95 31.87 3i7h s ARG 713 CO -0.08 -0.36 -0.20 0.99 -0.68 0.00 0.00 175.30 174.98 3i7h s THR 714 N -1.65 1.56 -0.40 0.02 2.01 -1.26 -1.67 115.64 114.25 3i7h s THR 714 Ca 0.62 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.65 3i7h s THR 714 Cb -0.24 -1.32 0.13 0.00 0.01 0.00 0.00 72.50 71.07 3i7h s THR 714 CO 0.30 0.32 0.20 -0.69 -0.69 0.00 0.00 174.62 174.05 3i7h s VAL 715 N -0.61 1.19 0.05 3.82 1.01 0.14 -4.99 120.40 121.02 3i7h s VAL 715 Ca 0.07 -2.20 -0.34 0.00 0.00 0.00 0.00 61.98 59.51 3i7h s VAL 715 Cb -0.08 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 34.32 3i7h s VAL 715 CO 0.00 -0.84 1.70 -2.65 0.00 0.00 0.00 175.10 173.31 3i7h n PRO 716 N 3.92 2.13 -0.01 2.72 -0.02 -1.26 -1.23 135.00 141.25 3i7h n PRO 716 Ca 0.06 0.77 0.07 0.00 -2.02 0.00 0.00 63.50 62.39 3i7h n PRO 716 Cb 0.37 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.17 3i7h n PRO 716 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i7h n LEU 717 N 4.74 0.14 0.00 2.45 4.77 -0.04 -4.89 117.00 124.17 3i7h n LEU 717 Ca 0.19 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i7h n LEU 717 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3i7h n LEU 717 CO 0.68 0.03 0.00 -1.22 -1.33 0.00 0.00 177.39 175.55 3i7h n TYR 718 N -1.87 0.00 -3.68 -1.77 4.02 -1.16 -1.20 117.16 111.50 3i7h n TYR 718 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 3i7h n TYR 718 Cb 0.35 -0.95 -0.01 0.00 -0.02 0.00 0.00 39.34 38.72 3i7h n TYR 718 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i7h n GLU 719 N -1.35 0.42 -3.18 -0.72 0.28 -1.05 -3.99 120.64 111.06 3i7h n GLU 719 Ca 0.00 -1.32 -0.40 0.00 -0.16 0.00 0.00 57.16 55.28 3i7h n GLU 719 Cb 0.16 1.37 -0.07 0.00 1.43 0.00 0.00 31.44 34.32 3i7h n GLU 719 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 3i7h s SER 720 N -2.07 6.47 0.03 -1.84 0.01 -0.99 -3.13 113.70 112.19 3i7h s SER 720 Ca 0.13 0.50 -0.16 0.00 1.31 0.00 0.00 55.95 57.73 3i7h s SER 720 Cb -0.01 -2.31 -0.06 0.00 0.21 0.00 0.00 66.02 63.85 3i7h s SER 720 CO 0.09 -0.37 0.47 -2.16 0.41 0.00 0.00 173.24 171.68 3i7h s PRO 721 N 2.44 4.02 -0.08 12.44 0.04 -1.26 -1.76 135.00 150.84 3i7h s PRO 721 Ca 0.23 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.83 3i7h s PRO 721 Cb -0.15 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.11 3i7h s PRO 721 CO 0.10 0.66 -0.03 0.54 0.04 0.00 0.00 177.00 178.31 3i7h n ARG 722 N 1.73 1.38 -3.79 4.56 1.74 0.24 -4.76 116.66 117.75 3i7h n ARG 722 Ca -0.12 0.03 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 3i7h n ARG 722 Cb 0.52 -1.17 -0.07 0.00 -1.02 0.00 0.00 32.46 30.71 3i7h n ARG 722 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i7h s LYS 723 N -2.16 0.79 -0.09 5.56 -0.14 -1.17 -4.49 119.74 118.03 3i7h s LYS 723 Ca -0.08 -0.61 -0.05 0.00 -1.36 0.00 0.00 55.97 53.87 3i7h s LYS 723 Cb 0.02 0.34 0.04 0.00 -1.68 0.00 0.00 37.83 36.56 3i7h s LYS 723 CO 0.23 -0.25 0.22 -1.50 -0.76 0.00 0.00 175.35 173.29 3i7h s ILE 724 N -2.80 -0.04 -0.05 2.17 2.07 -1.26 -2.42 121.20 118.87 3i7h s ILE 724 Ca -0.03 0.15 0.02 0.00 -1.41 0.00 0.00 60.65 59.38 3i7h s ILE 724 Cb -0.00 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.26 3i7h s ILE 724 CO -0.05 0.06 -0.10 0.00 -1.91 0.00 0.00 174.94 172.95 3i7h s TYR 726 N 0.63 3.92 -0.36 0.00 5.04 -1.26 -1.03 117.35 124.29 3i7h s TYR 726 Ca -0.12 1.71 0.04 0.00 -2.44 0.00 0.00 57.07 56.26 3i7h s TYR 726 Cb -0.14 -2.84 0.10 0.00 0.35 0.00 0.00 41.96 39.43 3i7h s TYR 726 CO 0.02 0.47 0.08 -1.14 -1.34 0.00 0.00 175.55 173.64 3i7h s GLN 727 N -1.04 1.47 0.12 4.97 0.74 0.04 -4.85 119.66 121.10 3i7h s GLN 727 Ca 0.38 -1.89 -0.27 0.00 0.05 0.00 0.00 55.36 53.62 3i7h s GLN 727 Cb -0.24 -3.12 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 3i7h s GLN 727 CO 0.28 -0.96 1.62 1.49 -0.55 0.00 0.00 175.29 177.17 3i7h h GLU 728 N 7.53 -0.47 0.00 1.67 4.81 -1.97 0.12 114.58 126.27 3i7h h GLU 728 Ca -0.05 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3i7h h GLU 728 Cb 1.01 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 3i7h h GLU 728 CO 0.53 -0.31 -0.03 -0.39 -0.73 0.00 0.00 179.01 178.08 3i7h h VAL 729 N -0.49 0.18 -0.01 0.32 -1.51 -1.95 0.13 116.25 112.92 3i7h h VAL 729 Ca 0.05 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3i7h h VAL 729 Cb 0.55 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3i7h h VAL 729 CO -0.23 0.03 -0.67 -1.20 -1.23 0.00 0.00 177.57 174.27 3i7h n SER 730 N -3.29 1.39 -4.02 4.19 7.64 -0.93 -4.97 113.62 113.63 3i7h n SER 730 Ca -0.02 -1.14 -0.31 0.00 1.01 0.00 0.00 58.87 58.41 3i7h n SER 730 Cb 0.16 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 3i7h n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7h n GLN 731 N -0.80 -4.41 -3.66 1.43 1.13 0.45 -4.94 117.38 106.59 3i7h n GLN 731 Ca 0.07 0.50 -0.14 0.00 -1.94 0.00 0.00 57.00 55.49 3i7h n GLN 731 Cb 0.39 -5.23 -0.04 0.00 0.11 0.00 0.00 30.24 25.47 3i7h n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7h s PHE 733 N -3.20 2.57 -0.07 0.00 0.40 0.35 -0.78 117.98 117.25 3i7h s PHE 733 Ca 0.28 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.40 3i7h s PHE 733 Cb 0.00 -1.15 -0.00 0.00 0.51 0.00 0.00 43.02 42.38 3i7h s PHE 733 CO 0.20 0.63 -0.23 0.20 0.70 0.00 0.00 175.22 176.72 3i7h s GLY 734 N -3.47 1.21 -0.04 4.36 0.00 -0.20 -1.82 107.32 107.37 3i7h s GLY 734 Ca 0.30 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 3i7h s GLY 734 CO 0.18 -0.46 0.04 0.14 0.00 0.00 0.00 173.10 172.99 3i7h s VAL 735 N 0.07 -0.00 -0.06 1.40 1.01 -0.22 -1.80 120.40 120.80 3i7h s VAL 735 Ca -0.09 0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 3i7h s VAL 735 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3i7h s VAL 735 CO 0.05 0.16 0.80 -0.76 0.00 0.00 0.00 175.10 175.35 3i7h s LEU 736 N 1.66 4.32 0.30 3.92 1.43 -1.01 -0.21 118.68 129.07 3i7h s LEU 736 Ca -0.01 1.33 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 3i7h s LEU 736 Cb -0.13 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.80 3i7h s LEU 736 CO -0.03 -0.19 0.10 -0.94 0.23 0.00 0.00 176.35 175.51 3i7h s SER 737 N 0.90 1.72 0.04 2.29 1.04 -1.03 0.81 113.70 119.48 3i7h s SER 737 Ca 0.42 -1.44 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 3i7h s SER 737 Cb -0.19 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 3i7h s SER 737 CO 0.20 -0.74 0.02 -0.94 0.98 0.00 0.00 173.24 172.77 3i7h s SER 738 N -3.40 0.30 0.04 7.02 1.04 -0.72 -0.87 113.70 117.12 3i7h s SER 738 Ca 0.36 -0.70 -0.00 0.00 0.48 0.00 0.00 55.95 56.08 3i7h s SER 738 Cb 0.07 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 3i7h s SER 738 CO 0.15 -0.50 -0.03 0.00 0.98 0.00 0.00 173.24 173.83 3i7h s ARG 739 N -2.87 0.51 -0.26 4.02 1.70 -0.30 -2.34 118.95 119.42 3i7h s ARG 739 Ca -0.03 -1.00 -0.13 0.00 -0.47 0.00 0.00 55.73 54.10 3i7h s ARG 739 Cb 0.00 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 3i7h s ARG 739 CO -0.06 -0.08 0.28 0.42 -1.08 0.00 0.00 175.30 174.78 3i7h s ILE 740 N -3.00 5.25 0.37 4.99 1.01 -1.26 -1.40 121.20 127.16 3i7h s ILE 740 Ca -0.01 0.40 0.08 0.00 0.00 0.00 0.00 60.65 61.11 3i7h s ILE 740 Cb 0.01 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3i7h s ILE 740 CO -0.06 0.24 0.19 -1.61 0.00 0.00 0.00 174.94 173.69 3i7h s GLU 741 N 1.67 2.37 0.10 2.79 2.02 -0.48 -4.09 118.70 123.09 3i7h s GLU 741 Ca 0.12 -1.60 -0.01 0.00 0.02 0.00 0.00 54.97 53.50 3i7h s GLU 741 Cb -0.15 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3i7h s GLU 741 CO 0.09 0.02 0.01 0.14 0.02 0.00 0.00 175.26 175.54 3i7h s VAL 742 N -2.46 0.24 0.44 2.63 -7.23 -1.26 -0.62 120.40 112.13 3i7h s VAL 742 Ca 0.40 -1.88 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 3i7h s VAL 742 Cb -0.01 -1.83 -0.12 0.00 0.56 0.00 0.00 36.38 34.98 3i7h s VAL 742 CO 0.23 -0.70 0.54 1.67 -0.31 0.00 0.00 175.10 176.53 3i7h n GLN 743 N -0.03 0.57 -4.51 4.82 7.27 -0.90 -0.55 117.38 124.05 3i7h n GLN 743 Ca -0.09 0.21 -0.29 0.00 0.07 0.00 0.00 57.00 56.90 3i7h n GLN 743 Cb 0.62 -1.52 -0.07 0.00 2.41 0.00 0.00 30.24 31.68 3i7h n GLN 743 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3i7h n ASP 744 N 1.22 2.33 -0.29 1.69 2.03 0.19 -4.55 116.55 119.18 3i7h n ASP 744 Ca 0.11 -3.18 0.09 0.00 0.52 0.00 0.00 54.79 52.34 3i7h n ASP 744 Cb 0.40 0.68 0.25 0.00 -0.72 0.00 0.00 41.12 41.73 3i7h n ASP 744 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3i7h h THR 745 N 1.46 0.60 0.00 5.18 1.35 -1.97 0.27 112.91 119.80 3i7h h THR 745 Ca -0.37 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3i7h h THR 745 Cb 1.23 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3i7h h THR 745 CO 0.60 0.09 0.00 -0.24 -0.25 0.00 0.00 175.52 175.71 3i7h n SER 746 N -4.99 0.00 0.00 5.36 2.88 -1.26 -4.83 113.62 110.78 3i7h n SER 746 Ca 0.18 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 3i7h n SER 746 Cb 0.52 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 3i7h n SER 746 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i7h n GLY 747 N -0.04 2.60 3.69 0.46 0.00 0.96 -5.00 105.19 107.87 3i7h n GLY 747 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3i7h n GLY 747 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i7h s GLY 748 N -0.28 1.65 0.31 -0.02 0.00 -1.26 -3.96 107.32 103.77 3i7h s GLY 748 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.73 3i7h s GLY 748 CO 0.00 0.73 0.95 -0.51 0.00 0.00 0.00 173.10 174.27 3i7h s THR 749 N -2.76 4.14 0.00 0.90 -4.23 -1.26 -0.63 115.64 111.80 3i7h s THR 749 Ca 0.65 1.84 0.00 0.00 -1.18 0.00 0.00 61.69 62.99 3i7h s THR 749 Cb -0.20 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.59 3i7h s THR 749 CO 0.58 0.21 0.00 0.41 -0.54 0.00 0.00 174.62 175.28 3i7h n THR 750 N 0.71 0.00 0.00 3.99 -1.04 0.28 -4.85 114.28 113.38 3i7h n THR 750 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3i7h n THR 750 Cb 0.49 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i7h n THR 750 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i7h n ALA 751 N -2.41 0.00 0.07 2.41 0.00 -1.26 -4.82 120.51 114.49 3i7h n ALA 751 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i7h n ALA 751 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3i7h n ALA 751 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i7h h LEU 752 N 0.00 0.14 -7.25 0.00 4.07 -1.96 -3.48 115.31 106.83 3i7h h LEU 752 Ca 0.00 -0.16 0.15 0.00 0.08 0.00 0.00 57.88 57.95 3i7h h LEU 752 Cb 0.00 -0.05 -0.13 0.00 1.08 0.00 0.00 40.66 41.57 3i7h h LEU 752 CO 0.00 1.13 0.51 0.00 -1.08 0.00 0.00 178.44 179.00 3i7h s ARG 753 N -2.68 0.93 0.46 1.13 3.03 -1.26 -5.16 118.95 115.40 3i7h s ARG 753 Ca -0.01 -0.42 -0.20 0.00 2.03 0.00 0.00 55.73 57.12 3i7h s ARG 753 Cb 0.09 0.37 -0.10 0.00 -1.03 0.00 0.00 34.95 34.29 3i7h s ARG 753 CO 0.84 -0.41 0.98 -2.14 -1.13 0.00 0.00 175.30 173.44 3i7h s PRO 754 N -3.14 4.05 0.35 3.89 0.02 -1.26 -5.03 135.00 133.89 3i7h s PRO 754 Ca 0.08 1.19 -0.00 0.00 0.02 0.00 0.00 61.00 62.28 3i7h s PRO 754 Cb -0.01 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3i7h s PRO 754 CO -0.05 -0.20 0.46 -1.54 -0.33 0.00 0.00 177.00 175.35 3i7h s SER 755 N -2.20 1.13 0.26 2.53 1.04 -1.26 -4.88 113.70 110.32 3i7h s SER 755 Ca 0.63 -1.57 -0.09 0.00 0.48 0.00 0.00 55.95 55.41 3i7h s SER 755 Cb -0.12 0.67 0.43 0.00 0.10 0.00 0.00 66.02 67.10 3i7h s SER 755 CO 0.17 -1.30 1.58 0.00 0.98 0.00 0.00 173.24 174.68 3i7h h ALA 756 N 2.08 0.65 0.00 5.32 0.00 -1.48 -0.87 119.26 124.96 3i7h h ALA 756 Ca -0.28 0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i7h h ALA 756 Cb 1.24 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3i7h h ALA 756 CO 0.38 -0.41 0.00 0.66 0.00 0.00 0.00 179.25 179.88 3i7h h SER 757 N 0.01 0.00 0.00 0.00 4.64 -1.96 -2.72 113.55 113.52 3i7h h SER 757 Ca 0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 3i7h h SER 757 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3i7h h SER 757 CO -0.91 0.00 -2.03 0.35 -0.87 0.00 0.00 176.83 173.38 3i7h n THR 758 N -2.38 0.10 -0.50 2.95 -2.24 -0.56 -4.43 114.28 107.22 3i7h n THR 758 Ca 0.04 -0.53 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 3i7h n THR 758 Cb 0.39 -0.03 0.22 0.00 -2.10 0.00 0.00 70.33 68.81 3i7h n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7h n GLN 759 N -2.29 3.03 -1.99 -0.78 6.02 -0.44 -4.91 117.38 116.01 3i7h n GLN 759 Ca -0.06 -2.45 -0.36 0.00 -0.01 0.00 0.00 57.00 54.12 3i7h n GLN 759 Cb 0.61 -1.55 0.04 0.00 1.02 0.00 0.00 30.24 30.36 3i7h n GLN 759 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i7h s ALA 760 N -1.68 2.54 0.51 -1.58 0.00 -1.03 -4.92 121.76 115.60 3i7h s ALA 760 Ca 0.34 1.04 0.23 0.00 0.00 0.00 0.00 51.96 53.57 3i7h s ALA 760 Cb 0.22 -3.46 1.45 0.00 0.00 0.00 0.00 23.12 21.33 3i7h s ALA 760 CO 0.16 -1.20 2.14 -0.07 0.00 0.00 0.00 175.76 176.78 3i7h h LEU 761 N 0.88 0.00 -7.34 0.00 3.38 -1.53 -3.43 115.31 107.27 3i7h h LEU 761 Ca -0.51 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 3i7h h LEU 761 Cb 1.30 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.89 3i7h h LEU 761 CO 0.55 0.07 -0.07 -0.94 0.09 0.00 0.00 178.44 178.14 3i7h s SER 762 N -6.52 -0.32 0.28 -0.43 1.04 -0.74 -5.00 113.70 102.01 3i7h s SER 762 Ca -0.04 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.44 3i7h s SER 762 Cb 0.15 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.71 3i7h s SER 762 CO 0.61 -0.68 0.32 -1.54 0.98 0.00 0.00 173.24 172.93 3i7h n SER 763 N 0.47 -0.86 0.00 7.02 3.41 -1.26 -0.98 113.62 121.41 3i7h n SER 763 Ca -0.18 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 3i7h n SER 763 Cb 0.60 1.73 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 3i7h n SER 763 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i7h n SER 764 N -1.82 0.00 -4.38 4.04 3.41 -0.91 -4.84 113.62 109.12 3i7h n SER 764 Ca 0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.45 3i7h n SER 764 Cb 0.48 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 3i7h n SER 764 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3i7h s VAL 765 N -2.00 0.88 -0.16 -3.33 -7.23 -1.26 -0.71 120.40 106.58 3i7h s VAL 765 Ca 0.00 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 3i7h s VAL 765 Cb 0.00 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3i7h s VAL 765 CO 0.00 -0.03 0.55 -0.55 -0.31 0.00 0.00 175.10 174.76 3i7h s SER 766 N -3.39 6.67 -0.20 4.85 0.15 -0.17 -4.81 113.70 116.80 3i7h s SER 766 Ca 0.36 0.80 0.15 0.00 0.70 0.00 0.00 55.95 57.96 3i7h s SER 766 Cb 0.08 -2.32 0.45 0.00 -1.71 0.00 0.00 66.02 62.53 3i7h s SER 766 CO 0.14 -0.15 1.34 -1.54 1.20 0.00 0.00 173.24 174.24 3i7h n SER 767 N 4.45 2.89 -4.77 5.45 3.41 -1.26 -4.81 113.62 118.98 3i7h n SER 767 Ca -0.04 -3.33 -0.41 0.00 -0.26 0.00 0.00 58.87 54.83 3i7h n SER 767 Cb 0.51 -0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3i7h n SER 767 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i7h s SER 768 N -2.47 6.50 -0.04 4.04 0.15 -1.26 -4.90 113.70 115.72 3i7h s SER 768 Ca 0.40 2.83 0.14 0.00 0.70 0.00 0.00 55.95 60.01 3i7h s SER 768 Cb 0.35 -2.65 0.42 0.00 -1.71 0.00 0.00 66.02 62.42 3i7h s SER 768 CO 0.03 -0.74 1.35 0.29 1.20 0.00 0.00 173.24 175.38 3i7h n LYS 769 N 0.52 2.95 0.19 5.44 4.76 -1.26 -4.66 118.16 126.09 3i7h n LYS 769 Ca 0.01 -2.33 0.08 0.00 -2.87 0.00 0.00 58.31 53.20 3i7h n LYS 769 Cb 0.41 -1.45 0.41 0.00 -1.84 0.00 0.00 35.03 32.56 3i7h n LYS 769 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3i7h h LEU 770 N 2.47 0.00 -8.61 -0.35 3.38 -2.03 -3.42 115.31 106.74 3i7h h LEU 770 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3i7h h LEU 770 Cb 0.94 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.44 3i7h h LEU 770 CO 0.06 0.00 -0.85 -0.36 0.09 0.00 0.00 178.44 177.38 3i7h s PHE 771 N -3.43 1.92 -0.43 1.13 0.40 -1.26 -5.00 117.98 111.32 3i7h s PHE 771 Ca -0.02 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 3i7h s PHE 771 Cb 0.04 -1.13 0.29 0.00 0.51 0.00 0.00 43.02 42.74 3i7h s PHE 771 CO 0.14 0.12 0.83 0.43 0.70 0.00 0.00 175.22 177.44 3i7h n SER 772 N 1.71 -1.04 0.00 1.36 7.64 -1.26 -5.19 113.62 116.85 3i7h n SER 772 Ca -0.17 -3.20 0.00 0.00 1.01 0.00 0.00 58.87 56.51 3i7h n SER 772 Cb 0.53 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 3i7h n SER 772 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3i7h n SER 773 N 0.86 0.00 0.00 6.43 3.41 -1.26 -5.32 113.62 117.74 3i7h n SER 773 Ca 0.15 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3i7h n SER 773 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 3i7h n SER 773 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7h n GLY 783 N 1.76 0.00 3.09 5.00 0.00 -1.26 -5.31 105.19 108.47 3i7h n GLY 783 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i7h n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7h s GLU 784 N 0.00 0.62 -0.00 1.61 2.02 -1.26 -5.00 118.70 116.69 3i7h s GLU 784 Ca 0.00 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 3i7h s GLU 784 Cb 0.00 -0.24 -0.04 0.00 0.10 0.00 0.00 34.13 33.95 3i7h s GLU 784 CO 0.00 0.02 0.10 -1.21 0.02 0.00 0.00 175.26 174.19 3i7h s GLU 785 N -2.35 3.12 0.11 1.61 2.02 -1.26 -2.11 118.70 119.84 3i7h s GLU 785 Ca -0.03 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.56 3i7h s GLU 785 Cb -0.05 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.26 3i7h s GLU 785 CO -0.02 0.65 -0.17 0.08 0.02 0.00 0.00 175.26 175.82 3i7h s VAL 786 N -1.22 1.49 -0.09 2.63 1.01 0.21 -5.00 120.40 119.43 3i7h s VAL 786 Ca 0.24 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 3i7h s VAL 786 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3i7h s VAL 786 CO 0.15 -0.22 -0.01 -1.61 0.00 0.00 0.00 175.10 173.41 3i7h s GLU 787 N -2.16 2.98 -0.16 2.72 2.02 -1.26 -1.38 118.70 121.45 3i7h s GLU 787 Ca 0.06 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.62 3i7h s GLU 787 Cb -0.08 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3i7h s GLU 787 CO 0.04 0.67 -0.18 0.08 0.02 0.00 0.00 175.26 175.88 3i7h s VAL 788 N -0.80 1.89 -0.11 2.63 1.01 -0.49 -4.64 120.40 119.89 3i7h s VAL 788 Ca 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3i7h s VAL 788 Cb -0.11 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3i7h s VAL 788 CO 0.02 0.51 0.05 -1.00 0.00 0.00 0.00 175.10 174.68 3i7h s HIS 789 N 1.27 3.29 0.21 5.22 3.76 -1.26 -1.15 115.29 126.62 3i7h s HIS 789 Ca 0.03 0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.22 3i7h s HIS 789 Cb -0.13 -1.87 -0.05 0.00 1.11 0.00 0.00 32.58 31.64 3i7h s HIS 789 CO -0.10 0.49 0.02 -0.80 -0.85 0.00 0.00 174.74 173.50 3i7h s ASN 790 N -0.74 1.44 -0.17 1.40 0.01 -0.05 -1.67 114.94 115.16 3i7h s ASN 790 Ca 0.12 -1.23 0.01 0.00 -0.71 0.00 0.00 52.86 51.05 3i7h s ASN 790 Cb -0.12 0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.64 3i7h s ASN 790 CO 0.02 -0.58 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.64 3i7h s LEU 791 N -3.25 2.28 -0.03 0.60 2.96 0.49 -2.45 118.68 119.28 3i7h s LEU 791 Ca 0.28 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3i7h s LEU 791 Cb 0.06 -1.52 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 3i7h s LEU 791 CO 0.07 0.04 0.24 -0.76 -1.32 0.00 0.00 176.35 174.62 3i7h s LEU 792 N 1.07 4.38 -0.19 -0.68 1.43 0.70 -1.78 118.68 123.62 3i7h s LEU 792 Ca -0.01 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3i7h s LEU 792 Cb -0.14 -2.50 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3i7h s LEU 792 CO -0.06 0.30 -0.05 -0.63 0.23 0.00 0.00 176.35 176.14 3i7h s ILE 793 N -1.21 3.43 -0.05 -0.59 -1.09 0.20 -1.05 121.20 120.84 3i7h s ILE 793 Ca 0.24 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 3i7h s ILE 793 Cb -0.13 -2.53 -0.00 0.00 -1.58 0.00 0.00 42.46 38.21 3i7h s ILE 793 CO 0.13 0.45 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.47 3i7h s ILE 794 N 1.09 1.58 0.04 2.92 1.01 -0.76 -0.27 121.20 126.81 3i7h s ILE 794 Ca 0.01 -0.80 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3i7h s ILE 794 Cb -0.15 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.92 3i7h s ILE 794 CO -0.00 0.45 1.18 -0.62 0.00 0.00 0.00 174.94 175.94 3i7h s ASP 795 N -0.00 7.11 0.50 3.58 -1.08 -1.02 0.13 116.67 125.89 3i7h s ASP 795 Ca -0.04 1.96 0.25 0.00 -0.52 0.00 0.00 52.55 54.20 3i7h s ASP 795 Cb -0.12 -2.58 1.32 0.00 -1.46 0.00 0.00 42.92 40.09 3i7h s ASP 795 CO 0.03 -0.46 2.03 0.06 0.52 0.00 0.00 175.17 177.34 3i7h h GLN 796 N 6.88 0.00 0.00 4.34 3.07 -1.80 0.16 115.11 127.75 3i7h h GLN 796 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 3i7h h GLN 796 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.77 3i7h h GLN 796 CO 0.81 0.15 -0.12 0.72 0.09 0.00 0.00 178.83 180.48 3i7h n HIS 797 N -3.68 0.19 0.04 0.06 8.25 -1.26 -4.55 115.22 114.26 3i7h n HIS 797 Ca -0.02 0.08 -0.02 0.00 -0.26 0.00 0.00 57.72 57.50 3i7h n HIS 797 Cb 0.27 -0.34 0.23 0.00 1.12 0.00 0.00 29.99 31.27 3i7h n HIS 797 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3i7h h THR 798 N -0.21 1.26 -0.91 1.59 1.35 -1.99 -3.46 112.91 110.54 3i7h h THR 798 Ca 0.00 -1.22 -0.30 0.00 -0.55 0.00 0.00 66.41 64.34 3i7h h THR 798 Cb 0.12 1.35 -0.10 0.00 -1.73 0.00 0.00 68.15 67.79 3i7h h THR 798 CO 0.00 0.38 -0.29 0.49 -0.25 0.00 0.00 175.52 175.86 3i7h n PHE 799 N -4.13 -0.10 -2.54 4.73 3.01 0.56 -4.99 117.46 114.00 3i7h n PHE 799 Ca -0.00 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.11 3i7h n PHE 799 Cb 0.39 -2.68 -0.03 0.00 -0.01 0.00 0.00 39.48 37.15 3i7h n PHE 799 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i7h s GLU 800 N -3.47 3.85 -1.07 -1.08 -1.05 -1.26 -4.76 118.70 109.86 3i7h s GLU 800 Ca 0.00 1.40 -0.22 0.00 -0.15 0.00 0.00 54.97 55.99 3i7h s GLU 800 Cb 0.00 -2.17 0.05 0.00 -0.44 0.00 0.00 34.13 31.57 3i7h s GLU 800 CO 0.00 -0.40 1.52 0.08 0.95 0.00 0.00 175.26 177.41 3i7h s VAL 801 N -1.92 3.94 0.13 1.83 1.01 -1.26 -2.42 120.40 121.72 3i7h s VAL 801 Ca 0.66 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3i7h s VAL 801 Cb -0.18 -5.06 -0.02 0.00 0.00 0.00 0.00 36.38 31.13 3i7h s VAL 801 CO 0.21 -1.93 1.63 -0.07 0.00 0.00 0.00 175.10 174.95 3i7h h LEU 802 N 12.90 -0.77 -7.67 3.92 3.38 -1.00 -2.52 115.31 123.55 3i7h h LEU 802 Ca 0.24 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 3i7h h LEU 802 Cb 0.98 0.34 -0.19 0.00 0.09 0.00 0.00 40.66 41.88 3i7h h LEU 802 CO 1.43 -0.30 -0.39 -2.28 0.09 0.00 0.00 178.44 176.99 3i7h s HIS 803 N -6.07 -0.02 -0.15 1.13 5.04 -1.12 -1.79 115.29 112.31 3i7h s HIS 803 Ca -0.15 -0.06 -0.04 0.00 -1.54 0.00 0.00 55.06 53.27 3i7h s HIS 803 Cb 0.10 0.00 0.06 0.00 0.04 0.00 0.00 32.58 32.79 3i7h s HIS 803 CO 0.67 -0.37 0.13 0.00 -2.34 0.00 0.00 174.74 172.83 3i7h s ALA 804 N -1.75 0.16 -0.07 1.58 0.00 -0.15 0.62 121.76 122.15 3i7h s ALA 804 Ca -0.11 -0.00 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3i7h s ALA 804 Cb -0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 3i7h s ALA 804 CO 0.01 -1.02 0.53 -1.58 0.00 0.00 0.00 175.76 173.70 3i7h s HIS 805 N 2.21 3.59 -0.19 0.00 5.04 -0.73 -2.15 115.29 123.05 3i7h s HIS 805 Ca 0.04 1.03 -0.09 0.00 -1.54 0.00 0.00 55.06 54.49 3i7h s HIS 805 Cb -0.15 -2.57 -0.05 0.00 0.04 0.00 0.00 32.58 29.85 3i7h s HIS 805 CO -0.09 0.26 0.11 -1.14 -2.34 0.00 0.00 174.74 171.55 3i7h s GLN 806 N 0.25 4.13 0.26 2.88 0.74 0.11 -0.38 119.66 127.66 3i7h s GLN 806 Ca 0.28 -0.25 -0.04 0.00 0.05 0.00 0.00 55.36 55.40 3i7h s GLN 806 Cb -0.16 -3.37 0.06 0.00 1.10 0.00 0.00 33.01 30.64 3i7h s GLN 806 CO 0.13 0.30 0.28 1.19 -0.55 0.00 0.00 175.29 176.64 3i7h n PHE 807 N 3.50 -3.53 -1.62 1.67 3.01 -0.67 -1.00 117.46 118.82 3i7h n PHE 807 Ca -0.16 -0.25 -0.30 0.00 1.01 0.00 0.00 57.45 57.75 3i7h n PHE 807 Cb 0.52 -0.26 0.09 0.00 -0.01 0.00 0.00 39.48 39.83 3i7h n PHE 807 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i7h s LEU 808 N 0.00 2.53 0.11 4.37 1.43 -1.26 -4.41 118.68 121.45 3i7h s LEU 808 Ca 0.17 1.19 -0.35 0.00 -1.03 0.00 0.00 54.13 54.11 3i7h s LEU 808 Cb -0.01 -3.77 -0.15 0.00 0.03 0.00 0.00 46.19 42.29 3i7h s LEU 808 CO 0.13 -1.99 1.49 0.00 0.23 0.00 0.00 176.35 176.21 3i7h n GLN 809 N -3.43 1.70 -1.01 1.70 6.02 -1.26 -2.02 117.38 119.09 3i7h n GLN 809 Ca 0.07 0.61 -0.00 0.00 -0.01 0.00 0.00 57.00 57.67 3i7h n GLN 809 Cb 0.57 -2.33 -0.00 0.00 1.02 0.00 0.00 30.24 29.50 3i7h n GLN 809 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3i7h n ASN 810 N 3.18 -5.26 -4.61 1.08 3.02 -1.26 -4.92 115.26 106.49 3i7h n ASN 810 Ca 0.18 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.31 3i7h n ASN 810 Cb 0.24 -2.78 -0.03 0.00 -0.61 0.00 0.00 39.78 36.60 3i7h n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i7h s GLU 811 N -1.54 3.88 -0.23 3.52 2.12 -0.86 -0.93 118.70 124.66 3i7h s GLU 811 Ca 0.00 0.75 -0.14 0.00 0.36 0.00 0.00 54.97 55.94 3i7h s GLU 811 Cb 0.00 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 3i7h s GLU 811 CO 0.00 -1.08 0.33 0.71 -0.54 0.00 0.00 175.26 174.68 3i7h s TYR 812 N 3.87 3.32 0.27 5.30 4.12 0.28 -4.30 117.35 130.23 3i7h s TYR 812 Ca 0.44 0.46 -0.24 0.00 0.02 0.00 0.00 57.07 57.75 3i7h s TYR 812 Cb -0.10 -2.47 -0.09 0.00 -1.52 0.00 0.00 41.96 37.77 3i7h s TYR 812 CO 0.22 -0.05 0.86 0.00 0.02 0.00 0.00 175.55 176.60 3i7h s ALA 813 N 1.46 3.30 0.00 3.71 0.00 -1.26 -0.83 121.76 128.14 3i7h s ALA 813 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3i7h s ALA 813 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3i7h s ALA 813 CO 0.08 0.23 0.00 1.28 0.00 0.00 0.00 175.76 177.35 3i7h n LEU 814 N 0.74 0.00 -4.22 0.00 4.77 0.23 -4.93 117.00 113.59 3i7h n LEU 814 Ca -0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3i7h n LEU 814 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3i7h n LEU 814 CO 0.44 0.00 -0.35 -0.94 -1.33 0.00 0.00 177.39 175.21 3i7h s SER 815 N -2.25 1.25 -0.17 -1.43 1.04 -0.66 -4.88 113.70 106.60 3i7h s SER 815 Ca 0.00 -1.12 -0.17 0.00 0.48 0.00 0.00 55.95 55.14 3i7h s SER 815 Cb 0.00 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.27 3i7h s SER 815 CO 0.00 -0.52 0.47 -0.22 0.98 0.00 0.00 173.24 173.95 3i7h s LEU 816 N -3.14 0.20 -0.01 2.42 2.96 -1.26 -1.17 118.68 118.67 3i7h s LEU 816 Ca 0.20 0.92 -0.07 0.00 -0.22 0.00 0.00 54.13 54.96 3i7h s LEU 816 Cb 0.06 1.63 0.00 0.00 0.50 0.00 0.00 46.19 48.38 3i7h s LEU 816 CO 0.02 -0.18 0.14 0.54 -1.32 0.00 0.00 176.35 175.54 3i7h s VAL 817 N 0.16 0.06 -0.27 1.68 0.11 0.65 -4.95 120.40 117.85 3i7h s VAL 817 Ca -0.01 -0.51 -0.00 0.00 -2.93 0.00 0.00 61.98 58.53 3i7h s VAL 817 Cb -0.03 -0.38 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3i7h s VAL 817 CO 0.01 -0.28 -0.06 -0.55 -3.33 0.00 0.00 175.10 170.90 3i7h s SER 818 N -0.99 4.53 0.29 3.54 0.15 -1.26 0.19 113.70 120.15 3i7h s SER 818 Ca -0.11 -1.16 -0.20 0.00 0.70 0.00 0.00 55.95 55.18 3i7h s SER 818 Cb -0.06 -1.65 0.02 0.00 -1.71 0.00 0.00 66.02 62.63 3i7h s SER 818 CO 0.01 -0.19 0.72 0.00 1.20 0.00 0.00 173.24 174.98 3i7h s LYS 820 N -3.76 3.70 0.11 0.00 1.02 -1.26 -0.16 119.74 119.39 3i7h s LYS 820 Ca 0.12 0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.28 3i7h s LYS 820 Cb -0.06 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3i7h s LYS 820 CO 0.07 0.30 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.10 3i7h s LEU 821 N -3.11 2.33 0.00 3.17 1.43 -1.26 -4.92 118.68 116.32 3i7h s LEU 821 Ca 0.45 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3i7h s LEU 821 Cb -0.11 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.27 3i7h s LEU 821 CO 0.25 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.47 3i7h n GLY 822 N 0.93 2.11 0.04 -3.19 0.00 0.32 -1.68 105.19 103.73 3i7h n GLY 822 Ca -0.18 0.44 0.02 0.00 0.00 0.00 0.00 46.02 46.30 3i7h n GLY 822 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7h n LYS 823 N 5.78 4.29 -1.85 1.61 5.02 -1.26 -4.98 118.16 126.78 3i7h n LYS 823 Ca 0.00 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.70 3i7h n LYS 823 Cb 0.00 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.19 3i7h n LYS 823 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i7h s ASP 824 N -1.18 6.52 0.41 4.39 -1.08 -0.67 -4.93 116.67 120.12 3i7h s ASP 824 Ca 0.02 2.65 0.21 0.00 -0.52 0.00 0.00 52.55 54.92 3i7h s ASP 824 Cb 0.03 -2.58 0.28 0.00 -1.46 0.00 0.00 42.92 39.20 3i7h s ASP 824 CO 0.15 -0.91 1.57 1.55 0.52 0.00 0.00 175.17 178.05 3i7h h PRO 825 N 7.65 0.00 -7.13 4.34 0.14 -1.94 -3.35 132.00 131.71 3i7h h PRO 825 Ca -0.43 0.00 -0.54 0.00 0.14 0.00 0.00 66.00 65.17 3i7h h PRO 825 Cb 1.21 0.00 0.19 0.00 0.14 0.00 0.00 31.00 32.53 3i7h h PRO 825 CO 0.93 0.10 0.21 0.09 0.14 0.00 0.00 178.00 179.47 3i7h n ASN 826 N -3.12 0.60 -4.49 1.44 4.13 -1.26 -4.99 115.26 107.57 3i7h n ASN 826 Ca 0.04 0.56 -0.33 0.00 1.68 0.00 0.00 54.58 56.52 3i7h n ASN 826 Cb 0.57 -1.46 -0.12 0.00 -1.54 0.00 0.00 39.78 37.22 3i7h n ASN 826 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3i7h s THR 827 N -2.16 3.59 0.47 3.41 2.01 -1.26 -4.27 115.64 117.44 3i7h s THR 827 Ca 0.71 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.27 3i7h s THR 827 Cb -0.29 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 3i7h s THR 827 CO 0.53 0.53 0.04 -0.31 -0.69 0.00 0.00 174.62 174.73 3i7h s TYR 828 N -0.01 2.13 -0.20 4.92 1.51 0.78 -4.71 117.35 121.77 3i7h s TYR 828 Ca -0.01 -0.82 -0.03 0.00 -1.01 0.00 0.00 57.07 55.20 3i7h s TYR 828 Cb -0.14 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3i7h s TYR 828 CO 0.03 0.25 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.60 3i7h s PHE 829 N -2.79 2.92 0.05 2.71 0.08 -1.02 -2.35 117.98 117.58 3i7h s PHE 829 Ca 0.20 -0.90 0.04 0.00 0.12 0.00 0.00 56.93 56.39 3i7h s PHE 829 Cb 0.04 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 3i7h s PHE 829 CO 0.11 -0.48 -0.05 0.42 -0.10 0.00 0.00 175.22 175.12 3i7h s ILE 830 N 1.19 3.71 -0.08 0.64 1.01 0.13 -1.84 121.20 125.96 3i7h s ILE 830 Ca 0.02 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.75 3i7h s ILE 830 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.66 3i7h s ILE 830 CO -0.02 0.26 -0.10 -0.69 0.00 0.00 0.00 174.94 174.39 3i7h s VAL 831 N -1.13 1.04 -0.19 2.92 1.01 -0.66 -0.25 120.40 123.15 3i7h s VAL 831 Ca 0.20 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 3i7h s VAL 831 Cb -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3i7h s VAL 831 CO 0.12 0.35 0.48 -0.83 0.00 0.00 0.00 175.10 175.22 3i7h s GLY 832 N 1.14 2.12 0.00 4.51 0.00 -0.32 -1.30 107.32 113.47 3i7h s GLY 832 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.26 3i7h s GLY 832 CO -0.02 0.97 0.00 -1.30 0.00 0.00 0.00 173.10 172.76 3i7h n THR 833 N 4.38 0.00 -3.64 0.90 -2.24 -0.60 0.77 114.28 113.84 3i7h n THR 833 Ca -0.06 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.68 3i7h n THR 833 Cb 0.51 -0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 3i7h n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7h s ALA 834 N -2.00 -2.24 -0.34 6.98 0.00 -0.01 -0.82 121.76 123.32 3i7h s ALA 834 Ca 0.00 1.95 -0.19 0.00 0.00 0.00 0.00 51.96 53.72 3i7h s ALA 834 Cb 0.00 -1.69 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 3i7h s ALA 834 CO 0.00 -0.25 0.58 -1.64 0.00 0.00 0.00 175.76 174.45 3i7h s MET 835 N 0.67 3.71 -0.59 0.00 -1.94 0.28 -0.55 119.30 120.87 3i7h s MET 835 Ca -0.02 0.01 -0.05 0.00 -1.71 0.00 0.00 55.69 53.93 3i7h s MET 835 Cb -0.04 -3.79 0.15 0.00 2.01 0.00 0.00 34.83 33.16 3i7h s MET 835 CO -0.12 -0.66 0.43 0.08 -0.01 0.00 0.00 175.02 174.74 3i7h s VAL 836 N 2.55 3.94 0.39 -6.03 1.01 -0.11 -4.64 120.40 117.51 3i7h s VAL 836 Ca 0.22 -2.59 -0.03 0.00 0.00 0.00 0.00 61.98 59.58 3i7h s VAL 836 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3i7h s VAL 836 CO 0.14 -0.85 0.65 -0.31 0.00 0.00 0.00 175.10 174.72 3i7h s TYR 837 N 0.36 3.52 0.01 5.22 4.12 -1.26 -4.89 117.35 124.43 3i7h s TYR 837 Ca 0.14 0.61 -0.02 0.00 0.02 0.00 0.00 57.07 57.82 3i7h s TYR 837 Cb -0.20 -2.11 -0.00 0.00 -1.52 0.00 0.00 41.96 38.12 3i7h s TYR 837 CO -0.04 -0.03 0.11 -2.30 0.02 0.00 0.00 175.55 173.31 3i7h n PRO 838 N -1.78 -0.03 -3.18 -1.71 -0.02 -1.26 -4.08 135.00 122.94 3i7h n PRO 838 Ca -0.02 0.10 0.02 0.00 -2.02 0.00 0.00 63.50 61.59 3i7h n PRO 838 Cb 0.55 -0.15 -0.01 0.00 -0.02 0.00 0.00 33.50 33.87 3i7h n PRO 838 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i7h s GLU 839 N -5.04 0.72 -0.30 -0.52 2.02 -1.26 -5.07 118.70 109.25 3i7h s GLU 839 Ca -0.01 0.03 -0.12 0.00 0.02 0.00 0.00 54.97 54.89 3i7h s GLU 839 Cb 0.01 0.15 0.13 0.00 0.10 0.00 0.00 34.13 34.52 3i7h s GLU 839 CO 0.04 -1.12 0.72 -1.21 0.02 0.00 0.00 175.26 173.71 3i7h s GLU 840 N 2.20 0.55 0.00 1.61 8.01 -1.26 -5.12 118.70 124.69 3i7h s GLU 840 Ca 0.14 1.27 0.00 0.00 0.01 0.00 0.00 54.97 56.39 3i7h s GLU 840 Cb -0.06 0.65 0.00 0.00 -4.31 0.00 0.00 34.13 30.41 3i7h s GLU 840 CO -0.14 -0.17 0.00 0.00 0.01 0.00 0.00 175.26 174.96 3i7h n ALA 841 N 5.11 0.00 -1.58 5.21 0.00 -1.26 -4.63 120.51 123.37 3i7h n ALA 841 Ca -0.13 0.00 -0.58 0.00 0.00 0.00 0.00 53.44 52.72 3i7h n ALA 841 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.89 3i7h n ALA 841 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i7h n GLU 842 N 0.00 0.39 -3.56 0.00 -0.58 -1.26 -4.93 120.64 110.70 3i7h n GLU 842 Ca 0.00 0.14 -0.36 0.00 -0.42 0.00 0.00 57.16 56.52 3i7h n GLU 842 Cb 0.00 -1.69 -0.06 0.00 -0.57 0.00 0.00 31.44 29.12 3i7h n GLU 842 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3i7h s PRO 843 N 0.84 3.80 0.00 3.49 0.04 -1.26 -5.00 135.00 136.91 3i7h s PRO 843 Ca 0.92 0.25 0.13 0.00 0.04 0.00 0.00 61.00 62.34 3i7h s PRO 843 Cb -1.21 -3.08 0.23 0.00 0.04 0.00 0.00 34.50 30.49 3i7h s PRO 843 CO 0.59 0.61 1.11 1.63 0.04 0.00 0.00 177.00 180.98 3i7h n LYS 844 N 1.26 1.82 -3.95 4.56 5.02 -1.26 -3.87 118.16 121.73 3i7h n LYS 844 Ca -0.10 -1.72 -0.10 0.00 -2.02 0.00 0.00 58.31 54.37 3i7h n LYS 844 Cb 0.52 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.13 3i7h n LYS 844 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3i7h s GLN 845 N -1.07 0.34 0.03 1.97 -0.21 -1.26 -1.62 119.66 117.84 3i7h s GLN 845 Ca 0.22 -0.54 -0.06 0.00 0.02 0.00 0.00 55.36 55.00 3i7h s GLN 845 Cb 0.13 0.13 0.02 0.00 1.00 0.00 0.00 33.01 34.29 3i7h s GLN 845 CO 0.18 -0.06 0.27 0.41 -2.12 0.00 0.00 175.29 173.96 3i7h n GLY 846 N 1.62 0.94 3.09 3.09 0.00 -0.92 0.99 105.19 113.99 3i7h n GLY 846 Ca -0.23 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 3i7h n GLY 846 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7h s ARG 847 N -2.01 0.60 -0.28 1.61 0.52 -1.26 -2.38 118.95 115.75 3i7h s ARG 847 Ca 0.06 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.11 3i7h s ARG 847 Cb -0.01 0.13 0.04 0.00 0.52 0.00 0.00 34.95 35.64 3i7h s ARG 847 CO 0.01 -0.09 -0.02 0.42 0.02 0.00 0.00 175.30 175.64 3i7h s ILE 848 N -3.50 2.96 -0.15 1.52 1.01 -0.92 -1.55 121.20 120.57 3i7h s ILE 848 Ca 0.04 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 59.39 3i7h s ILE 848 Cb 0.05 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3i7h s ILE 848 CO -0.08 0.00 0.03 -0.69 0.00 0.00 0.00 174.94 174.20 3i7h s VAL 849 N 1.28 4.51 -0.22 2.92 1.01 -0.42 -4.10 120.40 125.39 3i7h s VAL 849 Ca -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 3i7h s VAL 849 Cb -0.19 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 3i7h s VAL 849 CO -0.02 0.51 0.01 -0.69 0.00 0.00 0.00 175.10 174.91 3i7h s VAL 850 N 0.00 3.96 0.16 2.92 1.01 -0.79 -1.65 120.40 126.02 3i7h s VAL 850 Ca 0.04 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.80 3i7h s VAL 850 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3i7h s VAL 850 CO 0.01 0.40 -0.06 -0.36 0.00 0.00 0.00 175.10 175.10 3i7h s PHE 851 N 1.26 2.74 -0.09 5.22 0.40 -0.76 -1.00 117.98 125.75 3i7h s PHE 851 Ca 0.04 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 3i7h s PHE 851 Cb -0.15 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.05 3i7h s PHE 851 CO 0.01 0.50 -0.11 -1.14 0.70 0.00 0.00 175.22 175.19 3i7h s GLN 852 N -2.77 1.69 -0.80 0.44 -0.44 0.85 -2.44 119.66 116.20 3i7h s GLN 852 Ca 0.25 -0.37 -0.12 0.00 -2.50 0.00 0.00 55.36 52.62 3i7h s GLN 852 Cb -0.09 -1.53 0.21 0.00 -1.64 0.00 0.00 33.01 29.96 3i7h s GLN 852 CO 0.16 -0.10 0.72 -0.47 0.50 0.00 0.00 175.29 176.10 3i7h s TYR 853 N 1.10 3.71 0.11 1.67 5.04 -1.26 0.30 117.35 128.01 3i7h s TYR 853 Ca -0.06 -2.13 0.05 0.00 -2.44 0.00 0.00 57.07 52.49 3i7h s TYR 853 Cb -0.14 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.41 3i7h s TYR 853 CO -0.02 -0.96 0.01 -1.54 -1.34 0.00 0.00 175.55 171.71 3i7h s SER 854 N 1.88 5.06 0.00 4.32 1.04 -0.65 -4.90 113.70 120.45 3i7h s SER 854 Ca 0.18 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3i7h s SER 854 Cb -0.12 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.79 3i7h s SER 854 CO -0.08 0.16 0.00 -0.67 0.98 0.00 0.00 173.24 173.63 3i7h n ASP 855 N 0.40 0.00 0.00 7.02 -0.08 -1.26 -1.45 116.55 121.18 3i7h n ASP 855 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 3i7h n ASP 855 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 3i7h n ASP 855 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i7h n GLY 856 N 0.01 1.53 3.56 0.27 0.00 -1.26 -5.00 105.19 104.30 3i7h n GLY 856 Ca 0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 3i7h n GLY 856 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7h s LYS 857 N 0.00 1.85 -0.14 1.61 0.00 -0.53 -5.05 119.74 117.49 3i7h s LYS 857 Ca 0.00 -2.06 -0.25 0.00 0.00 0.00 0.00 55.97 53.67 3i7h s LYS 857 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 37.83 36.53 3i7h s LYS 857 CO 0.00 -0.14 0.80 -1.17 0.00 0.00 0.00 175.35 174.83 3i7h s LEU 858 N -3.63 4.21 -0.14 2.77 0.20 -1.26 -1.64 118.68 119.20 3i7h s LEU 858 Ca 0.33 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.33 3i7h s LEU 858 Cb 0.09 -3.20 -0.01 0.00 -0.43 0.00 0.00 46.19 42.64 3i7h s LEU 858 CO 0.16 -0.32 -0.14 -1.58 -0.29 0.00 0.00 176.35 174.17 3i7h s GLN 859 N 1.79 3.30 -0.75 1.98 0.74 0.87 -4.88 119.66 122.71 3i7h s GLN 859 Ca 0.38 -0.72 -0.27 0.00 0.05 0.00 0.00 55.36 54.80 3i7h s GLN 859 Cb -0.17 -2.63 0.03 0.00 1.10 0.00 0.00 33.01 31.35 3i7h s GLN 859 CO 0.14 0.11 1.27 0.99 -0.55 0.00 0.00 175.29 177.26 3i7h s THR 860 N 0.59 3.76 0.00 -0.34 2.01 -1.26 0.29 115.64 120.69 3i7h s THR 860 Ca -0.08 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.24 3i7h s THR 860 Cb -0.16 -4.92 0.00 0.00 0.01 0.00 0.00 72.50 67.44 3i7h s THR 860 CO 0.03 -1.84 0.30 0.52 -0.69 0.00 0.00 174.62 172.94 3i7h n VAL 861 N 6.38 0.00 -4.59 3.82 0.31 -0.17 -4.97 118.33 119.11 3i7h n VAL 861 Ca 0.04 0.79 -0.27 0.00 -0.01 0.00 0.00 64.34 64.89 3i7h n VAL 861 Cb 0.49 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.56 3i7h n VAL 861 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i7h s ALA 862 N -3.01 3.18 0.11 3.52 0.00 -0.95 -4.98 121.76 119.63 3i7h s ALA 862 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3i7h s ALA 862 Cb 0.00 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.53 3i7h s ALA 862 CO 0.00 -0.20 0.00 -1.91 0.00 0.00 0.00 175.76 173.65 3i7h n GLU 863 N -0.97 0.00 -2.08 0.00 2.13 -1.26 -1.89 120.64 116.57 3i7h n GLU 863 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3i7h n GLU 863 Cb 0.66 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 32.29 3i7h n GLU 863 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3i7h n LYS 864 N -2.95 -0.64 -1.21 5.31 3.00 -1.26 -3.07 118.16 117.34 3i7h n LYS 864 Ca 0.00 0.61 -0.31 0.00 -0.00 0.00 0.00 58.31 58.61 3i7h n LYS 864 Cb 0.05 -0.54 0.10 0.00 0.00 0.00 0.00 35.03 34.63 3i7h n LYS 864 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3i7h s GLU 865 N 0.00 2.10 -0.19 1.64 2.12 -1.26 -2.16 118.70 120.95 3i7h s GLU 865 Ca 0.00 1.26 -0.27 0.00 0.36 0.00 0.00 54.97 56.31 3i7h s GLU 865 Cb 0.00 -1.87 0.08 0.00 0.26 0.00 0.00 34.13 32.60 3i7h s GLU 865 CO 0.00 -1.77 0.77 0.54 -0.54 0.00 0.00 175.26 174.26 3i7h s VAL 866 N -2.80 0.00 -1.06 3.70 0.11 -1.00 -4.89 120.40 114.47 3i7h s VAL 866 Ca 0.63 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.65 3i7h s VAL 866 Cb -0.19 -1.00 0.31 0.00 -1.53 0.00 0.00 36.38 33.97 3i7h s VAL 866 CO 0.55 0.00 1.51 0.29 -3.33 0.00 0.00 175.10 174.12 3i7h n LYS 867 N 1.87 4.57 -2.25 1.54 5.02 -1.26 -2.16 118.16 125.48 3i7h n LYS 867 Ca -0.15 -4.58 0.00 0.00 -2.02 0.00 0.00 58.31 51.56 3i7h n LYS 867 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 3i7h n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7h n GLY 868 N 1.09 -1.03 3.72 0.72 0.00 -0.64 -4.55 105.19 104.50 3i7h n GLY 868 Ca 0.29 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 3i7h n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7h s ALA 869 N -1.44 3.36 -0.93 4.61 0.00 -1.25 -2.70 121.76 123.40 3i7h s ALA 869 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.58 3i7h s ALA 869 Cb 0.00 -3.42 0.14 0.00 0.00 0.00 0.00 23.12 19.84 3i7h s ALA 869 CO 0.00 -0.38 1.12 0.08 0.00 0.00 0.00 175.76 176.58 3i7h s VAL 870 N 0.89 4.78 0.15 0.00 1.01 -0.00 -1.44 120.40 125.79 3i7h s VAL 870 Ca 0.57 -1.66 0.22 0.00 0.00 0.00 0.00 61.98 61.11 3i7h s VAL 870 Cb -0.28 -4.77 0.20 0.00 0.00 0.00 0.00 36.38 31.53 3i7h s VAL 870 CO 0.30 -1.49 1.80 1.88 0.00 0.00 0.00 175.10 177.59 3i7h h TYR 871 N 8.73 0.00 -1.73 5.22 -1.99 -1.66 -3.35 116.97 122.18 3i7h h TYR 871 Ca 0.16 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.98 3i7h h TYR 871 Cb 1.02 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.54 3i7h h TYR 871 CO 1.16 0.27 0.53 -1.54 -0.00 0.00 0.00 178.16 178.58 3i7h s SER 872 N -6.27 -0.37 0.04 3.88 1.04 -1.24 -4.71 113.70 106.07 3i7h s SER 872 Ca 0.00 0.31 -0.20 0.00 0.48 0.00 0.00 55.95 56.55 3i7h s SER 872 Cb 0.10 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.59 3i7h s SER 872 CO 0.65 -0.41 0.46 0.00 0.98 0.00 0.00 173.24 174.92 3i7h s MET 873 N -1.59 0.95 -0.27 4.02 0.23 -1.26 -0.12 119.30 121.25 3i7h s MET 873 Ca -0.00 -0.28 -0.16 0.00 -1.03 0.00 0.00 55.69 54.21 3i7h s MET 873 Cb -0.01 0.43 0.08 0.00 -1.53 0.00 0.00 34.83 33.80 3i7h s MET 873 CO -0.01 -0.33 0.67 0.54 -2.03 0.00 0.00 175.02 173.86 3i7h s VAL 874 N -2.35 -0.00 -0.02 5.16 0.11 0.20 -4.93 120.40 118.57 3i7h s VAL 874 Ca -0.06 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 3i7h s VAL 874 Cb -0.01 -0.96 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 3i7h s VAL 874 CO -0.01 0.00 1.49 -0.70 -3.33 0.00 0.00 175.10 172.55 3i7h s GLU 875 N 1.48 4.24 0.00 1.54 -6.30 -1.26 -1.48 118.70 116.93 3i7h s GLU 875 Ca -0.09 2.05 0.00 0.00 -2.50 0.00 0.00 54.97 54.43 3i7h s GLU 875 Cb -0.05 -3.70 0.00 0.00 0.00 0.00 0.00 34.13 30.38 3i7h s GLU 875 CO -0.17 -0.68 0.00 0.34 0.02 0.00 0.00 175.26 174.77 3i7h n PHE 876 N 5.97 0.00 -2.32 5.30 7.35 -0.90 -4.90 117.46 127.96 3i7h n PHE 876 Ca 0.15 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.80 3i7h n PHE 876 Cb 0.43 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.33 3i7h n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i7h n ASN 877 N 0.00 2.29 0.00 -2.13 3.02 -1.26 -4.87 115.26 112.31 3i7h n ASN 877 Ca 0.00 -2.80 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 3i7h n ASN 877 Cb 0.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 3i7h n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7h n GLY 878 N -0.46 1.28 3.90 7.41 0.00 -1.26 -5.00 105.19 111.06 3i7h n GLY 878 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3i7h n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7h s LYS 879 N 0.00 2.43 -0.36 1.61 1.02 -1.26 -0.52 119.74 122.65 3i7h s LYS 879 Ca 0.00 -1.68 -0.10 0.00 0.02 0.00 0.00 55.97 54.22 3i7h s LYS 879 Cb 0.00 -2.33 0.03 0.00 -0.52 0.00 0.00 37.83 35.01 3i7h s LYS 879 CO 0.00 -0.38 0.18 -1.17 -0.92 0.00 0.00 175.35 173.06 3i7h s LEU 880 N -4.23 4.60 -0.22 3.17 2.96 -0.20 -2.12 118.68 122.64 3i7h s LEU 880 Ca 0.46 -1.03 -0.21 0.00 -0.22 0.00 0.00 54.13 53.13 3i7h s LEU 880 Cb -0.03 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3i7h s LEU 880 CO 0.27 -0.37 0.64 -0.22 -1.32 0.00 0.00 176.35 175.36 3i7h s LEU 881 N 1.51 4.11 -0.04 -0.68 2.96 -0.55 -1.06 118.68 124.94 3i7h s LEU 881 Ca 0.01 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.73 3i7h s LEU 881 Cb -0.19 -2.89 0.01 0.00 0.50 0.00 0.00 46.19 43.62 3i7h s LEU 881 CO 0.06 -0.33 -0.07 0.00 -1.32 0.00 0.00 176.35 174.68 3i7h s ALA 882 N 2.22 0.81 -0.41 5.97 0.00 -0.91 0.61 121.76 130.04 3i7h s ALA 882 Ca 0.28 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 3i7h s ALA 882 Cb -0.16 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.59 3i7h s ALA 882 CO 0.09 0.07 0.54 0.45 0.00 0.00 0.00 175.76 176.91 3i7h s SER 883 N 0.59 6.27 -0.45 0.00 0.15 0.82 -2.53 113.70 118.56 3i7h s SER 883 Ca -0.09 -0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.08 3i7h s SER 883 Cb -0.12 -2.27 0.11 0.00 -1.71 0.00 0.00 66.02 62.02 3i7h s SER 883 CO 0.01 -0.65 0.29 -0.63 1.20 0.00 0.00 173.24 173.47 3i7h s ILE 884 N 2.48 3.95 -0.71 6.45 1.01 0.36 -1.80 121.20 132.94 3i7h s ILE 884 Ca 0.18 -1.81 -0.09 0.00 0.00 0.00 0.00 60.65 58.93 3i7h s ILE 884 Cb -0.15 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.73 3i7h s ILE 884 CO 0.16 -0.71 0.64 -3.20 0.00 0.00 0.00 174.94 171.82 3i7h n ASN 885 N 4.82 -5.86 0.00 3.58 2.85 -0.52 -1.27 115.26 118.87 3i7h n ASN 885 Ca -0.07 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 53.90 3i7h n ASN 885 Cb 0.41 -2.76 0.00 0.00 1.24 0.00 0.00 39.78 38.68 3i7h n ASN 885 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 3i7h n SER 886 N -1.81 -0.01 -4.20 1.20 7.64 -1.25 -4.95 113.62 110.24 3i7h n SER 886 Ca -0.17 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.48 3i7h n SER 886 Cb 0.63 -0.84 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 3i7h n SER 886 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i7h s THR 887 N -2.99 1.41 -0.17 0.44 2.01 -0.39 -1.98 115.64 113.97 3i7h s THR 887 Ca 0.00 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.87 3i7h s THR 887 Cb 0.00 -1.25 0.03 0.00 0.01 0.00 0.00 72.50 71.29 3i7h s THR 887 CO 0.00 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.22 3i7h s VAL 888 N -0.86 1.52 0.04 3.82 1.01 -1.19 -0.49 120.40 124.25 3i7h s VAL 888 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3i7h s VAL 888 Cb -0.08 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 3i7h s VAL 888 CO 0.02 0.30 -0.16 -0.13 0.00 0.00 0.00 175.10 175.13 3i7h s ARG 889 N 1.48 1.05 0.05 2.72 0.52 -1.05 -3.42 118.95 120.30 3i7h s ARG 889 Ca 0.02 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.39 3i7h s ARG 889 Cb -0.14 -1.08 -0.05 0.00 0.52 0.00 0.00 34.95 34.19 3i7h s ARG 889 CO -0.09 0.27 0.27 -0.51 0.02 0.00 0.00 175.30 175.26 3i7h s LEU 890 N -1.12 4.34 0.11 2.53 2.01 -1.26 -2.14 118.68 123.15 3i7h s LEU 890 Ca 0.03 0.49 0.07 0.00 0.01 0.00 0.00 54.13 54.73 3i7h s LEU 890 Cb -0.08 -2.88 -0.04 0.00 0.01 0.00 0.00 46.19 43.20 3i7h s LEU 890 CO 0.01 0.19 -0.17 -0.31 1.01 0.00 0.00 176.35 177.08 3i7h s TYR 891 N -1.43 1.56 -0.10 0.29 1.51 -0.22 -4.49 117.35 114.47 3i7h s TYR 891 Ca 0.32 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 3i7h s TYR 891 Cb -0.13 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3i7h s TYR 891 CO 0.21 0.18 -0.08 -2.00 -1.11 0.00 0.00 175.55 172.75 3i7h s GLU 892 N -2.27 3.03 -0.43 -0.62 2.12 0.12 -1.03 118.70 119.62 3i7h s GLU 892 Ca 0.07 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 3i7h s GLU 892 Cb -0.08 -2.64 0.07 0.00 0.26 0.00 0.00 34.13 31.74 3i7h s GLU 892 CO 0.04 0.49 0.31 -0.46 -0.54 0.00 0.00 175.26 175.09 3i7h s TRP 893 N -0.33 3.28 0.57 5.30 -0.11 -1.26 -1.25 118.94 125.13 3i7h s TRP 893 Ca 0.04 -1.16 -0.09 0.00 1.22 0.00 0.00 56.10 56.11 3i7h s TRP 893 Cb -0.13 -2.95 0.14 0.00 -1.50 0.00 0.00 33.47 29.04 3i7h s TRP 893 CO 0.02 -0.79 0.45 2.41 -4.62 0.00 0.00 176.95 174.43 3i7h n THR 894 N 5.06 0.00 0.30 5.86 -1.04 -0.24 -4.59 114.28 119.62 3i7h n THR 894 Ca -0.11 -0.16 0.11 0.00 -2.04 0.00 0.00 64.05 61.85 3i7h n THR 894 Cb 0.44 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.99 3i7h n THR 894 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i7h n THR 895 N -3.72 0.27 1.91 12.58 -2.24 -1.26 -3.45 114.28 118.38 3i7h n THR 895 Ca 0.06 -0.40 0.14 0.00 -2.27 0.00 0.00 64.05 61.59 3i7h n THR 895 Cb 0.26 -0.01 0.76 0.00 -2.10 0.00 0.00 70.33 69.25 3i7h n THR 895 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i7h n GLU 896 N -2.25 1.10 -2.81 -0.78 4.71 -1.26 -4.94 120.64 114.41 3i7h n GLU 896 Ca 0.00 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.16 56.89 3i7h n GLU 896 Cb 0.50 -1.43 0.05 0.00 -1.01 0.00 0.00 31.44 29.55 3i7h n GLU 896 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i7h n LYS 897 N -0.76 -1.66 -4.63 3.49 5.02 -1.22 -5.06 118.16 113.34 3i7h n LYS 897 Ca 0.20 0.68 -0.24 0.00 -2.02 0.00 0.00 58.31 56.93 3i7h n LYS 897 Cb 0.13 -4.75 -0.14 0.00 -0.02 0.00 0.00 35.03 30.25 3i7h n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i7h s ASP 898 N -3.27 2.13 -0.24 4.39 3.68 -1.26 -4.78 116.67 117.33 3i7h s ASP 898 Ca 0.33 -0.44 -0.08 0.00 2.13 0.00 0.00 52.55 54.49 3i7h s ASP 898 Cb -0.04 -0.19 -0.04 0.00 -1.45 0.00 0.00 42.92 41.20 3i7h s ASP 898 CO 0.56 0.15 0.09 0.68 0.13 0.00 0.00 175.17 176.78 3i7h s VAL 899 N -0.68 4.63 0.10 1.11 -7.23 -1.25 -1.08 120.40 115.99 3i7h s VAL 899 Ca 0.06 -0.07 0.03 0.00 -1.81 0.00 0.00 61.98 60.19 3i7h s VAL 899 Cb -0.08 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 3i7h s VAL 899 CO 0.01 0.35 -0.09 0.00 -0.31 0.00 0.00 175.10 175.06 3i7h s ARG 900 N 1.36 0.84 0.19 4.82 1.70 -0.38 -4.83 118.95 122.66 3i7h s ARG 900 Ca 0.06 -1.21 -0.00 0.00 -0.47 0.00 0.00 55.73 54.11 3i7h s ARG 900 Cb -0.15 -0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 3i7h s ARG 900 CO 0.05 0.05 0.08 -0.08 -1.08 0.00 0.00 175.30 174.32 3i7h s THR 901 N -2.80 0.26 -0.41 4.99 -1.32 -1.26 0.13 115.64 115.24 3i7h s THR 901 Ca 0.07 -1.98 -0.08 0.00 -1.21 0.00 0.00 61.69 58.50 3i7h s THR 901 Cb -0.00 -2.36 0.08 0.00 -1.51 0.00 0.00 72.50 68.70 3i7h s THR 901 CO -0.01 -0.19 0.23 -1.83 -2.21 0.00 0.00 174.62 170.61 3i7h s GLU 902 N -4.06 2.54 0.24 7.08 -1.05 -1.26 -4.96 118.70 117.22 3i7h s GLU 902 Ca 0.33 -1.47 0.10 0.00 -0.15 0.00 0.00 54.97 53.77 3i7h s GLU 902 Cb 0.07 -3.72 0.53 0.00 -0.44 0.00 0.00 34.13 30.57 3i7h s GLU 902 CO 0.09 -0.93 1.17 0.00 0.95 0.00 0.00 175.26 176.53 3i7h n ASN 904 N -1.86 0.85 -4.11 0.00 2.85 -1.26 -4.41 115.26 107.31 3i7h n ASN 904 Ca -0.01 -0.77 -0.36 0.00 -0.11 0.00 0.00 54.58 53.34 3i7h n ASN 904 Cb 0.29 0.08 -0.06 0.00 1.24 0.00 0.00 39.78 41.32 3i7h n ASN 904 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 3i7h s HIS 905 N -2.52 3.88 0.00 1.20 3.76 0.24 -5.01 115.29 116.85 3i7h s HIS 905 Ca 0.25 -3.00 0.00 0.00 -0.15 0.00 0.00 55.06 52.15 3i7h s HIS 905 Cb 0.19 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.63 3i7h s HIS 905 CO 0.52 -0.75 0.00 2.48 -0.85 0.00 0.00 174.74 176.14 3i7h n TYR 906 N 2.40 0.00 -3.58 1.40 0.18 -1.26 -4.49 117.16 111.81 3i7h n TYR 906 Ca 0.21 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.85 3i7h n TYR 906 Cb 0.37 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.27 3i7h n TYR 906 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 3i7h s ASN 907 N 1.00 -0.53 -0.87 9.48 3.84 -1.22 -4.81 114.94 121.82 3i7h s ASN 907 Ca 0.00 0.74 0.01 0.00 0.21 0.00 0.00 52.86 53.81 3i7h s ASN 907 Cb 0.00 0.65 0.28 0.00 -0.55 0.00 0.00 41.25 41.63 3i7h s ASN 907 CO 0.00 -0.39 1.16 0.59 -2.79 0.00 0.00 177.10 175.67 3i7h n ASN 908 N 1.32 5.24 -3.77 -4.21 3.02 -1.26 -3.20 115.26 112.40 3i7h n ASN 908 Ca -0.14 -3.44 -0.14 0.00 -0.03 0.00 0.00 54.58 50.83 3i7h n ASN 908 Cb 0.57 -0.99 -0.15 0.00 -0.61 0.00 0.00 39.78 38.60 3i7h n ASN 908 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i7h s ILE 909 N -2.73 -0.05 -0.82 2.41 1.01 -0.84 -5.01 121.20 115.17 3i7h s ILE 909 Ca 0.36 0.17 -0.08 0.00 0.00 0.00 0.00 60.65 61.09 3i7h s ILE 909 Cb 0.10 -0.18 0.21 0.00 0.01 0.00 0.00 42.46 42.61 3i7h s ILE 909 CO 0.05 0.07 0.73 -0.32 0.00 0.00 0.00 174.94 175.46 3i7h s MET 910 N 0.98 3.34 -1.27 2.79 -2.45 -1.26 -2.06 119.30 119.36 3i7h s MET 910 Ca -0.08 -2.74 -0.19 0.00 -1.25 0.00 0.00 55.69 51.43 3i7h s MET 910 Cb -0.10 -4.16 0.06 0.00 1.25 0.00 0.00 34.83 31.88 3i7h s MET 910 CO -0.04 -1.24 1.73 0.00 1.05 0.00 0.00 175.02 176.51 3i7h s ALA 911 N -0.39 3.21 0.43 4.11 0.00 -1.24 -3.84 121.76 124.04 3i7h s ALA 911 Ca 0.21 -2.84 0.17 0.00 0.00 0.00 0.00 51.96 49.50 3i7h s ALA 911 Cb -0.13 -4.64 1.08 0.00 0.00 0.00 0.00 23.12 19.43 3i7h s ALA 911 CO -0.08 -3.40 1.91 -0.07 0.00 0.00 0.00 175.76 174.13 3i7h h LEU 912 N 12.79 0.37 -8.00 0.00 3.38 -1.85 -3.40 115.31 118.60 3i7h h LEU 912 Ca 0.42 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 58.08 3i7h h LEU 912 Cb 0.88 -0.05 -0.27 0.00 0.09 0.00 0.00 40.66 41.32 3i7h h LEU 912 CO 1.45 0.18 -0.76 -0.31 0.09 0.00 0.00 178.44 179.10 3i7h s TYR 913 N -5.39 0.62 -0.16 1.13 1.51 -1.26 -4.83 117.35 108.97 3i7h s TYR 913 Ca -0.08 -0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 55.70 3i7h s TYR 913 Cb 0.21 -0.39 0.06 0.00 -0.11 0.00 0.00 41.96 41.73 3i7h s TYR 913 CO 0.77 -0.02 0.39 -1.17 -1.11 0.00 0.00 175.55 174.41 3i7h s LEU 914 N -0.47 -0.03 0.16 -1.29 2.96 -1.26 -2.26 118.68 116.49 3i7h s LEU 914 Ca -0.00 0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3i7h s LEU 914 Cb -0.04 1.28 -0.04 0.00 0.50 0.00 0.00 46.19 47.89 3i7h s LEU 914 CO -0.00 -0.19 0.07 -0.54 -1.32 0.00 0.00 176.35 174.37 3i7h s LYS 915 N 1.37 1.05 -0.01 1.98 -0.14 -0.11 -4.98 119.74 118.91 3i7h s LYS 915 Ca -0.09 -1.52 -0.02 0.00 -1.36 0.00 0.00 55.97 52.98 3i7h s LYS 915 Cb -0.09 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.22 3i7h s LYS 915 CO -0.12 -0.28 0.05 0.99 -0.76 0.00 0.00 175.35 175.22 3i7h s THR 916 N -4.01 0.01 -0.13 2.17 2.01 -1.26 -1.43 115.64 113.00 3i7h s THR 916 Ca 0.29 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 3i7h s THR 916 Cb 0.07 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.43 3i7h s THR 916 CO 0.06 -0.06 0.16 -0.54 -0.69 0.00 0.00 174.62 173.54 3i7h s LYS 917 N -0.16 3.68 0.00 4.92 1.02 -1.24 -4.94 119.74 123.03 3i7h s LYS 917 Ca -0.02 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.86 3i7h s LYS 917 Cb -0.01 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 34.04 3i7h s LYS 917 CO 0.00 0.64 0.08 0.41 -0.92 0.00 0.00 175.35 175.56 3i7h n GLY 918 N 2.40 0.00 0.00 -3.33 0.00 -1.26 -3.81 105.19 99.19 3i7h n GLY 918 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3i7h n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7h n ASP 919 N -0.40 0.00 -1.25 1.61 2.03 -1.26 -5.03 116.55 112.25 3i7h n ASP 919 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i7h n ASP 919 Cb 0.00 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.64 3i7h n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i7h n PHE 920 N 0.00 1.37 -3.12 -0.67 3.01 -1.25 -4.96 117.46 111.85 3i7h n PHE 920 Ca 0.00 -1.24 -0.19 0.00 1.01 0.00 0.00 57.45 57.03 3i7h n PHE 920 Cb 0.00 -0.48 0.02 0.00 -0.01 0.00 0.00 39.48 39.02 3i7h n PHE 920 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i7h s ILE 921 N -3.03 2.59 -0.29 4.37 1.01 -1.26 -1.34 121.20 123.25 3i7h s ILE 921 Ca 0.46 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.93 3i7h s ILE 921 Cb 0.39 -2.65 0.12 0.00 0.01 0.00 0.00 42.46 40.33 3i7h s ILE 921 CO 0.07 0.00 0.72 -0.22 0.00 0.00 0.00 174.94 175.51 3i7h s LEU 922 N -4.44 -0.98 -0.24 2.97 2.96 0.02 -3.65 118.68 115.32 3i7h s LEU 922 Ca 0.56 1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 55.77 3i7h s LEU 922 Cb -0.07 2.23 -0.05 0.00 0.50 0.00 0.00 46.19 48.80 3i7h s LEU 922 CO 0.34 -0.21 0.24 -0.69 -1.32 0.00 0.00 176.35 174.72 3i7h s VAL 923 N 2.35 5.29 0.40 1.68 1.01 -0.51 -2.18 120.40 128.43 3i7h s VAL 923 Ca -0.07 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3i7h s VAL 923 Cb -0.09 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 3i7h s VAL 923 CO -0.19 0.28 0.03 -0.83 0.00 0.00 0.00 175.10 174.39 3i7h s GLY 924 N 1.28 2.44 -0.05 4.51 0.00 -0.84 -0.93 107.32 113.73 3i7h s GLY 924 Ca 0.11 -2.06 -0.00 0.00 0.00 0.00 0.00 44.72 42.77 3i7h s GLY 924 CO 0.07 -2.02 -0.01 -0.35 0.00 0.00 0.00 173.10 170.79 3i7h s ASP 925 N -3.66 1.08 0.00 1.64 -1.08 -0.96 -1.77 116.67 111.92 3i7h s ASP 925 Ca 0.33 -0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 3i7h s ASP 925 Cb 0.09 -0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.17 3i7h s ASP 925 CO 0.16 -0.13 0.00 -0.11 0.52 0.00 0.00 175.17 175.61 3i7h n LEU 926 N 4.56 0.00 -3.73 -1.34 7.94 -1.19 -2.62 117.00 120.64 3i7h n LEU 926 Ca -0.17 0.00 -0.37 0.00 -1.11 0.00 0.00 56.01 54.35 3i7h n LEU 926 Cb 0.50 -0.07 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 3i7h n LEU 926 CO 0.17 -0.20 0.83 0.80 -1.11 0.00 0.00 177.39 177.88 3i7h n MET 927 N -1.71 4.03 -2.76 1.96 1.56 -1.26 -4.75 117.12 114.19 3i7h n MET 927 Ca 0.00 -4.63 -0.19 0.00 -0.27 0.00 0.00 57.70 52.61 3i7h n MET 927 Cb 0.00 -2.42 0.00 0.00 2.15 0.00 0.00 33.22 32.95 3i7h n MET 927 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3i7h n ARG 928 N 0.89 -3.02 -3.84 2.12 5.12 -1.26 -4.93 116.66 111.74 3i7h n ARG 928 Ca 0.30 0.76 -0.13 0.00 -1.93 0.00 0.00 57.85 56.85 3i7h n ARG 928 Cb 0.35 -5.46 -0.14 0.00 -1.16 0.00 0.00 32.46 26.04 3i7h n ARG 928 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i7h s SER 929 N -2.34 -0.00 0.20 0.55 1.04 -1.26 -0.88 113.70 111.01 3i7h s SER 929 Ca 0.15 0.05 -0.30 0.00 0.48 0.00 0.00 55.95 56.33 3i7h s SER 929 Cb -0.07 0.02 -0.08 0.00 0.10 0.00 0.00 66.02 65.98 3i7h s SER 929 CO 0.19 -0.04 1.00 -0.69 0.98 0.00 0.00 173.24 174.68 3i7h s VAL 930 N 0.26 4.05 -0.00 5.02 1.01 -1.26 -3.14 120.40 126.35 3i7h s VAL 930 Ca -0.02 1.92 0.03 0.00 0.00 0.00 0.00 61.98 63.90 3i7h s VAL 930 Cb -0.03 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3i7h s VAL 930 CO -0.01 0.40 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 3i7h s LEU 931 N -0.79 2.03 -0.13 3.92 1.43 -0.73 -2.07 118.68 122.34 3i7h s LEU 931 Ca 0.44 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3i7h s LEU 931 Cb -0.27 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3i7h s LEU 931 CO 0.33 0.11 -0.05 -0.22 0.23 0.00 0.00 176.35 176.75 3i7h s LEU 932 N -0.30 3.19 -0.08 1.79 2.96 0.19 -1.99 118.68 124.45 3i7h s LEU 932 Ca 0.03 -0.11 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 3i7h s LEU 932 Cb -0.04 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.92 3i7h s LEU 932 CO -0.00 0.22 0.23 -0.76 -1.32 0.00 0.00 176.35 174.72 3i7h s LEU 933 N 0.06 1.11 0.07 -0.68 1.02 -0.93 -1.84 118.68 117.50 3i7h s LEU 933 Ca -0.01 0.41 0.04 0.00 0.02 0.00 0.00 54.13 54.60 3i7h s LEU 933 Cb -0.14 0.83 -0.03 0.00 0.02 0.00 0.00 46.19 46.87 3i7h s LEU 933 CO 0.03 -0.12 -0.12 0.00 0.02 0.00 0.00 176.35 176.15 3i7h s ALA 934 N -0.05 1.09 -0.35 4.21 0.00 0.04 -0.80 121.76 125.90 3i7h s ALA 934 Ca -0.02 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.66 3i7h s ALA 934 Cb -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3i7h s ALA 934 CO 0.01 0.09 0.96 -0.47 0.00 0.00 0.00 175.76 176.35 3i7h s TYR 935 N -1.56 3.11 -0.46 0.00 5.04 -0.45 0.11 117.35 123.15 3i7h s TYR 935 Ca -0.01 0.92 -0.15 0.00 -2.44 0.00 0.00 57.07 55.39 3i7h s TYR 935 Cb -0.08 -3.62 0.06 0.00 0.35 0.00 0.00 41.96 38.67 3i7h s TYR 935 CO 0.02 -0.78 0.37 0.15 -1.34 0.00 0.00 175.55 173.97 3i7h s LYS 936 N 3.48 2.98 0.47 4.97 -0.14 -0.69 -4.95 119.74 125.86 3i7h s LYS 936 Ca 0.40 -1.28 0.26 0.00 -1.36 0.00 0.00 55.97 53.99 3i7h s LYS 936 Cb -0.12 -4.10 1.05 0.00 -1.68 0.00 0.00 37.83 32.98 3i7h s LYS 936 CO 0.17 -0.96 1.88 -1.35 -0.76 0.00 0.00 175.35 174.32 3i7h h PRO 937 N 8.72 0.00 -0.60 -1.68 0.11 -1.93 -0.48 132.00 136.15 3i7h h PRO 937 Ca -0.28 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.95 3i7h h PRO 937 Cb 1.11 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.11 3i7h h PRO 937 CO 0.84 0.18 -0.19 1.98 -0.21 0.00 0.00 178.00 180.60 3i7h h MET 938 N 0.00 -0.04 -0.06 1.05 4.05 -1.96 -2.64 114.93 115.33 3i7h h MET 938 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3i7h h MET 938 Cb 0.66 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3i7h h MET 938 CO 0.02 -0.03 0.00 0.39 0.23 0.00 0.00 176.91 177.53 3i7h n GLU 939 N -5.43 2.25 -1.52 0.39 1.02 -0.92 -4.94 120.64 111.50 3i7h n GLU 939 Ca 0.06 -1.92 -0.18 0.00 -0.02 0.00 0.00 57.16 55.11 3i7h n GLU 939 Cb 0.33 -1.45 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 3i7h n GLU 939 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i7h n GLY 940 N 1.32 1.71 2.60 0.62 0.00 -0.25 -4.93 105.19 106.25 3i7h n GLY 940 Ca 0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3i7h n GLY 940 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i7h n ASN 941 N -1.29 1.99 -4.56 1.61 3.02 -0.80 -4.94 115.26 110.28 3i7h n ASN 941 Ca -0.18 -2.22 -0.34 0.00 -0.03 0.00 0.00 54.58 51.81 3i7h n ASN 941 Cb 0.65 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 3i7h n ASN 941 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3i7h s PHE 942 N -1.74 2.92 -0.10 3.10 -0.12 -1.26 -1.70 117.98 119.08 3i7h s PHE 942 Ca 0.26 -0.03 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 3i7h s PHE 942 Cb -0.02 -1.72 -0.02 0.00 -0.63 0.00 0.00 43.02 40.63 3i7h s PHE 942 CO 0.17 0.29 -0.14 -2.00 -0.05 0.00 0.00 175.22 173.48 3i7h s GLU 943 N -0.71 3.03 -0.95 1.99 2.12 0.31 -4.87 118.70 119.62 3i7h s GLU 943 Ca 0.11 -0.71 -0.24 0.00 0.36 0.00 0.00 54.97 54.49 3i7h s GLU 943 Cb -0.11 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.77 3i7h s GLU 943 CO 0.02 0.36 1.69 -2.00 -0.54 0.00 0.00 175.26 174.79 3i7h s GLU 944 N -0.05 3.07 0.16 4.30 2.12 -1.26 -0.78 118.70 126.26 3i7h s GLU 944 Ca -0.03 -0.68 -0.11 0.00 0.36 0.00 0.00 54.97 54.51 3i7h s GLU 944 Cb -0.14 -5.18 0.04 0.00 0.26 0.00 0.00 34.13 29.11 3i7h s GLU 944 CO 0.04 -2.78 1.63 0.82 -0.54 0.00 0.00 175.26 174.43 3i7h h ILE 945 N 7.01 1.26 -2.48 -3.70 2.04 -1.72 -3.48 117.51 116.45 3i7h h ILE 945 Ca 0.14 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 3i7h h ILE 945 Cb 1.01 0.86 -0.17 0.00 -0.74 0.00 0.00 36.82 37.79 3i7h h ILE 945 CO 1.32 0.39 0.14 0.00 0.00 0.00 0.00 178.15 179.99 3i7h s ALA 946 N -5.07 -1.58 0.13 1.87 0.00 -1.12 -4.44 121.76 111.55 3i7h s ALA 946 Ca -0.12 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3i7h s ALA 946 Cb 0.13 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 3i7h s ALA 946 CO 0.84 -0.50 -0.02 0.50 0.00 0.00 0.00 175.76 176.58 3i7h s ARG 947 N -2.14 0.95 -0.31 0.00 3.52 0.01 0.55 118.95 121.52 3i7h s ARG 947 Ca -0.07 -1.43 0.03 0.00 -0.13 0.00 0.00 55.73 54.14 3i7h s ARG 947 Cb -0.01 -0.15 0.09 0.00 -1.56 0.00 0.00 34.95 33.32 3i7h s ARG 947 CO 0.01 -0.10 0.01 0.34 -0.81 0.00 0.00 175.30 174.74 3i7h s ASP 948 N -3.09 4.63 1.02 -2.12 2.15 -0.88 0.18 116.67 118.55 3i7h s ASP 948 Ca 0.18 -1.91 -0.02 0.00 0.43 0.00 0.00 52.55 51.24 3i7h s ASP 948 Cb 0.06 -1.56 0.02 0.00 -0.30 0.00 0.00 42.92 41.14 3i7h s ASP 948 CO -0.00 -0.33 0.09 0.49 -0.17 0.00 0.00 175.17 175.25 3i7h n PHE 949 N 4.33 -3.15 -1.39 -5.34 3.01 -1.26 -4.01 117.46 109.65 3i7h n PHE 949 Ca -0.01 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3i7h n PHE 949 Cb 0.42 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 3i7h n PHE 949 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3i7h n ASN 950 N -3.14 -5.02 -4.05 4.37 5.15 -1.26 -4.96 115.26 106.35 3i7h n ASN 950 Ca 0.01 0.69 -0.37 0.00 -0.60 0.00 0.00 54.58 54.31 3i7h n ASN 950 Cb 0.05 -2.71 0.02 0.00 -0.53 0.00 0.00 39.78 36.60 3i7h n ASN 950 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3i7h n PRO 951 N 0.77 0.00 -3.11 1.20 -0.02 -1.26 -4.82 135.00 127.76 3i7h n PRO 951 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.52 3i7h n PRO 951 Cb 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3i7h n PRO 951 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3i7h s ASN 952 N -0.97 -0.77 -0.83 2.55 0.01 -0.05 -4.99 114.94 109.89 3i7h s ASN 952 Ca 0.51 0.01 -0.25 0.00 -0.71 0.00 0.00 52.86 52.42 3i7h s ASN 952 Cb -0.40 1.40 -0.04 0.00 0.41 0.00 0.00 41.25 42.62 3i7h s ASN 952 CO 0.69 -0.13 1.91 0.86 -1.51 0.00 0.00 177.10 178.92 3i7h s TRP 953 N 2.75 1.79 0.47 2.20 -0.11 -1.26 -4.14 118.94 120.64 3i7h s TRP 953 Ca 0.21 0.63 -0.16 0.00 1.22 0.00 0.00 56.10 58.00 3i7h s TRP 953 Cb -0.03 -4.07 -0.08 0.00 -1.50 0.00 0.00 33.47 27.78 3i7h s TRP 953 CO -0.22 -1.89 0.93 -1.64 -4.62 0.00 0.00 176.95 169.51 3i7h s MET 954 N 6.97 3.97 0.00 5.86 -1.94 -1.26 -0.14 119.30 132.76 3i7h s MET 954 Ca 0.69 0.89 0.00 0.00 -1.71 0.00 0.00 55.69 55.55 3i7h s MET 954 Cb -0.08 -2.20 0.00 0.00 2.01 0.00 0.00 34.83 34.56 3i7h s MET 954 CO 0.04 -0.16 0.00 -1.13 -0.01 0.00 0.00 175.02 173.76 3i7h n SER 955 N -1.29 0.76 -3.62 3.03 3.41 -0.16 -4.78 113.62 110.97 3i7h n SER 955 Ca 0.06 -0.23 -0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3i7h n SER 955 Cb 0.54 0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 65.10 3i7h n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7h s ALA 956 N -0.77 -2.16 -0.28 7.33 0.00 -1.22 -4.58 121.76 120.08 3i7h s ALA 956 Ca 0.00 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 3i7h s ALA 956 Cb 0.00 0.29 0.11 0.00 0.00 0.00 0.00 23.12 23.52 3i7h s ALA 956 CO 0.00 -0.96 0.91 0.08 0.00 0.00 0.00 175.76 175.79 3i7h s VAL 957 N -2.50 0.00 -0.05 0.00 1.01 -1.26 -2.49 120.40 115.12 3i7h s VAL 957 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 3i7h s VAL 957 Cb 0.03 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3i7h s VAL 957 CO -0.04 0.00 0.27 -0.70 0.00 0.00 0.00 175.10 174.63 3i7h s GLU 958 N 0.79 0.52 -0.04 2.72 2.56 0.52 -4.80 118.70 120.96 3i7h s GLU 958 Ca -0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 54.97 54.63 3i7h s GLU 958 Cb -0.05 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.28 3i7h s GLU 958 CO -0.10 -0.12 1.16 0.42 -0.56 0.00 0.00 175.26 176.06 3i7h s ILE 959 N -0.80 4.34 -0.21 -3.70 1.01 -1.26 -0.04 121.20 120.53 3i7h s ILE 959 Ca -0.09 1.66 -0.12 0.00 0.00 0.00 0.00 60.65 62.10 3i7h s ILE 959 Cb -0.05 -4.07 -0.19 0.00 0.01 0.00 0.00 42.46 38.17 3i7h s ILE 959 CO 0.02 0.02 0.03 0.18 0.00 0.00 0.00 174.94 175.20 3i7h n LEU 960 N 4.94 2.24 0.00 2.97 4.77 -0.37 -4.90 117.00 126.65 3i7h n LEU 960 Ca 0.10 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3i7h n LEU 960 Cb 0.47 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3i7h n LEU 960 CO 0.55 0.59 0.00 -0.90 -1.33 0.00 0.00 177.39 176.30 3i7h n ASP 961 N -3.98 0.00 0.19 -1.43 3.85 -1.21 -5.01 116.55 108.97 3i7h n ASP 961 Ca -0.40 0.00 0.14 0.00 -0.71 0.00 0.00 54.79 53.82 3i7h n ASP 961 Cb 0.87 0.00 0.54 0.00 -1.35 0.00 0.00 41.12 41.18 3i7h n ASP 961 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3i7h h ASP 962 N 0.00 0.00 0.00 -1.12 3.32 -2.03 -3.24 116.42 113.35 3i7h h ASP 962 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i7h h ASP 962 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i7h h ASP 962 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 3i7h n ASP 963 N -2.63 0.69 -4.16 6.45 8.00 -1.26 -5.03 116.55 118.61 3i7h n ASP 963 Ca 0.02 -1.09 -0.26 0.00 0.71 0.00 0.00 54.79 54.18 3i7h n ASP 963 Cb 0.30 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.24 3i7h n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i7h s ASN 964 N -0.09 2.14 -0.13 -2.24 0.01 -1.23 -2.61 114.94 110.80 3i7h s ASN 964 Ca 0.00 -0.34 -0.03 0.00 -0.71 0.00 0.00 52.86 51.78 3i7h s ASN 964 Cb 0.00 -0.37 0.05 0.00 0.41 0.00 0.00 41.25 41.34 3i7h s ASN 964 CO 0.00 0.20 0.05 -0.36 -1.51 0.00 0.00 177.10 175.48 3i7h s PHE 965 N -0.26 0.52 0.14 2.20 0.40 0.64 -1.24 117.98 120.38 3i7h s PHE 965 Ca 0.03 -0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 55.84 3i7h s PHE 965 Cb -0.09 -0.78 -0.07 0.00 0.51 0.00 0.00 43.02 42.60 3i7h s PHE 965 CO 0.00 -0.44 0.62 -1.17 0.70 0.00 0.00 175.22 174.93 3i7h s LEU 966 N 2.02 4.44 0.02 -0.37 0.20 0.94 -0.01 118.68 125.93 3i7h s LEU 966 Ca 0.02 1.29 -0.10 0.00 0.69 0.00 0.00 54.13 56.03 3i7h s LEU 966 Cb -0.15 -3.19 0.01 0.00 -0.43 0.00 0.00 46.19 42.43 3i7h s LEU 966 CO -0.07 0.17 0.20 -0.83 -0.29 0.00 0.00 176.35 175.53 3i7h s GLY 967 N -1.40 0.00 0.01 7.98 0.00 0.36 -0.36 107.32 113.92 3i7h s GLY 967 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.93 3i7h s GLY 967 CO 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 173.10 172.96 3i7h s ALA 968 N -2.09 0.12 0.10 3.20 0.00 -1.04 -0.89 121.76 121.17 3i7h s ALA 968 Ca -0.09 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 3i7h s ALA 968 Cb -0.03 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3i7h s ALA 968 CO -0.01 -0.08 0.16 -2.00 0.00 0.00 0.00 175.76 173.83 3i7h s GLU 969 N -0.87 0.89 0.63 0.00 -6.30 -1.12 -0.99 118.70 110.93 3i7h s GLU 969 Ca -0.09 -1.10 0.18 0.00 -2.50 0.00 0.00 54.97 51.47 3i7h s GLU 969 Cb -0.06 0.32 0.73 0.00 0.00 0.00 0.00 34.13 35.12 3i7h s GLU 969 CO -0.00 -0.28 1.31 -0.97 0.02 0.00 0.00 175.26 175.33 3i7h h ASN 970 N 2.78 0.00 -0.66 -1.70 -0.73 -0.84 -0.56 115.58 113.87 3i7h h ASN 970 Ca -0.34 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.83 3i7h h ASN 970 Cb 1.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.79 3i7h h ASN 970 CO 0.56 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.62 3i7h n ALA 971 N -1.99 2.62 -1.00 1.57 0.00 -1.26 -4.92 120.51 115.53 3i7h n ALA 971 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.28 3i7h n ALA 971 Cb 1.20 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3i7h n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i7h n PHE 972 N 1.34 0.00 -3.32 0.00 3.01 -0.22 -4.86 117.46 113.41 3i7h n PHE 972 Ca 0.23 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.39 3i7h n PHE 972 Cb 0.66 -0.49 -0.04 0.00 -0.01 0.00 0.00 39.48 39.60 3i7h n PHE 972 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7h s ASN 973 N -2.01 6.52 0.28 4.37 0.01 -1.26 -0.01 114.94 122.85 3i7h s ASN 973 Ca 0.00 0.84 0.07 0.00 -0.71 0.00 0.00 52.86 53.06 3i7h s ASN 973 Cb 0.00 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.43 3i7h s ASN 973 CO 0.00 -0.17 0.22 -0.76 -1.51 0.00 0.00 177.10 174.88 3i7h s LEU 974 N -3.30 3.72 -0.13 0.60 1.43 0.23 -2.80 118.68 118.43 3i7h s LEU 974 Ca 0.46 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 3i7h s LEU 974 Cb -0.11 -2.28 0.08 0.00 0.03 0.00 0.00 46.19 43.91 3i7h s LEU 974 CO 0.27 -0.15 0.73 0.72 0.23 0.00 0.00 176.35 178.16 3i7h s PHE 975 N -2.20 -0.66 -0.16 0.29 -0.12 -0.07 -2.56 117.98 112.50 3i7h s PHE 975 Ca 0.36 1.32 -0.05 0.00 -0.05 0.00 0.00 56.93 58.50 3i7h s PHE 975 Cb -0.07 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 3i7h s PHE 975 CO 0.25 -0.50 -0.00 0.08 -0.05 0.00 0.00 175.22 175.00 3i7h s VAL 976 N -0.67 4.23 -0.01 -2.49 1.01 -0.83 -0.49 120.40 121.16 3i7h s VAL 976 Ca -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3i7h s VAL 976 Cb -0.02 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3i7h s VAL 976 CO 0.06 0.49 0.13 0.00 0.00 0.00 0.00 175.10 175.77 3i7h s GLN 978 N -1.83 0.28 0.34 0.00 0.74 0.06 -0.26 119.66 118.98 3i7h s GLN 978 Ca 0.25 -0.50 -0.19 0.00 0.05 0.00 0.00 55.36 54.96 3i7h s GLN 978 Cb -0.12 0.03 -0.10 0.00 1.10 0.00 0.00 33.01 33.92 3i7h s GLN 978 CO 0.16 -0.03 0.83 -1.59 -0.55 0.00 0.00 175.29 174.12 3i7h s LYS 979 N -1.17 4.19 0.08 1.67 -2.85 -1.07 0.14 119.74 120.73 3i7h s LYS 979 Ca -0.12 0.93 -0.31 0.00 -1.00 0.00 0.00 55.97 55.47 3i7h s LYS 979 Cb -0.08 -2.46 -0.07 0.00 -2.06 0.00 0.00 37.83 33.16 3i7h s LYS 979 CO -0.01 0.15 1.28 0.34 0.10 0.00 0.00 175.35 177.21 3i7h s ASP 980 N -2.06 6.97 -1.05 0.03 -1.08 -1.26 -4.89 116.67 113.32 3i7h s ASP 980 Ca 0.55 2.15 -0.04 0.00 -0.52 0.00 0.00 52.55 54.69 3i7h s ASP 980 Cb -0.12 -2.58 0.30 0.00 -1.46 0.00 0.00 42.92 39.06 3i7h s ASP 980 CO 0.17 -0.55 1.36 -1.20 0.52 0.00 0.00 175.17 175.47 3i7h n SER 981 N 3.96 6.06 -3.76 -0.34 7.64 -1.26 -4.87 113.62 121.05 3i7h n SER 981 Ca 0.10 -3.36 -0.10 0.00 1.01 0.00 0.00 58.87 56.52 3i7h n SER 981 Cb 0.45 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.36 3i7h n SER 981 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i7h s ALA 982 N -2.54 -0.77 1.21 -0.43 0.00 -1.26 -5.18 121.76 112.79 3i7h s ALA 982 Ca 0.32 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 3i7h s ALA 982 Cb 0.03 0.83 0.21 0.00 0.00 0.00 0.00 23.12 24.19 3i7h s ALA 982 CO 0.07 -0.75 0.62 0.00 0.00 0.00 0.00 175.76 175.70 3i7h n ALA 983 N -0.30 -2.54 -2.19 0.00 0.00 -1.26 -4.11 120.51 110.10 3i7h n ALA 983 Ca -0.11 -0.98 -0.16 0.00 0.00 0.00 0.00 53.44 52.19 3i7h n ALA 983 Cb 0.63 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 3i7h n ALA 983 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3i7h n THR 984 N -4.26 -0.67 -1.32 0.00 -1.04 -1.26 -4.65 114.28 101.08 3i7h n THR 984 Ca 0.09 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.98 3i7h n THR 984 Cb 0.36 -2.34 -0.08 0.00 -1.82 0.00 0.00 70.33 66.46 3i7h n THR 984 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i7h n THR 985 N -3.80 0.00 0.00 12.58 -2.24 -1.26 -0.56 114.28 119.00 3i7h n THR 985 Ca -0.19 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3i7h n THR 985 Cb 0.63 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 3i7h n THR 985 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i7h n ASP 986 N 14.50 0.00 0.00 3.42 4.64 -1.26 -4.94 116.55 132.91 3i7h n ASP 986 Ca 0.29 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.70 3i7h n ASP 986 Cb 0.47 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 3i7h n ASP 986 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 3i7h n GLU 987 N 0.00 0.00 0.27 -0.67 4.07 0.28 -4.89 120.64 119.69 3i7h n GLU 987 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 3i7h n GLU 987 Cb 0.00 0.00 0.75 0.00 -0.06 0.00 0.00 31.44 32.13 3i7h n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i7h h GLU 988 N 0.00 0.00 0.00 5.31 5.08 -1.78 -2.79 114.58 120.39 3i7h h GLU 988 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3i7h h GLU 988 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3i7h h GLU 988 CO 0.00 0.10 -0.61 -0.09 -1.00 0.00 0.00 179.01 177.41 3i7h h ARG 989 N 0.00 0.00 0.00 2.33 9.65 -1.82 -3.29 114.38 121.24 3i7h h ARG 989 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3i7h h ARG 989 Cb 0.27 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 3i7h h ARG 989 CO 0.01 0.61 -0.07 0.94 2.80 0.00 0.00 179.97 184.27 3i7h n GLN 990 N -3.54 0.07 -3.60 0.20 -0.06 -1.05 -4.56 117.38 104.84 3i7h n GLN 990 Ca -0.00 0.05 -0.40 0.00 -2.00 0.00 0.00 57.00 54.65 3i7h n GLN 990 Cb 0.67 -1.58 -0.09 0.00 -4.06 0.00 0.00 30.24 25.19 3i7h n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i7h s HIS 991 N -3.03 3.47 0.63 3.69 3.76 -1.24 -0.81 115.29 121.76 3i7h s HIS 991 Ca 0.13 -2.08 -0.13 0.00 -0.15 0.00 0.00 55.06 52.83 3i7h s HIS 991 Cb 0.17 -3.44 -0.02 0.00 1.11 0.00 0.00 32.58 30.40 3i7h s HIS 991 CO 0.57 -0.97 1.04 -0.48 -0.85 0.00 0.00 174.74 174.05 3i7h s LEU 992 N 1.09 3.31 0.04 0.89 0.05 0.48 -4.43 118.68 120.11 3i7h s LEU 992 Ca 0.08 1.63 0.03 0.00 0.05 0.00 0.00 54.13 55.92 3i7h s LEU 992 Cb -0.24 -4.50 -0.02 0.00 -2.05 0.00 0.00 46.19 39.38 3i7h s LEU 992 CO -0.02 -1.15 -0.10 -1.10 -0.55 0.00 0.00 176.35 173.42 3i7h s GLN 993 N -4.69 0.69 -0.85 1.48 -0.21 0.38 -4.51 119.66 111.96 3i7h s GLN 993 Ca 0.59 -0.68 -0.24 0.00 0.02 0.00 0.00 55.36 55.05 3i7h s GLN 993 Cb -0.13 -0.61 0.06 0.00 1.00 0.00 0.00 33.01 33.32 3i7h s GLN 993 CO 0.47 0.14 1.27 -1.21 -2.12 0.00 0.00 175.29 173.84 3i7h s GLU 994 N -1.19 3.37 0.18 2.91 2.02 -1.26 -0.76 118.70 123.96 3i7h s GLU 994 Ca -0.03 -0.84 0.25 0.00 0.02 0.00 0.00 54.97 54.37 3i7h s GLU 994 Cb -0.08 -4.69 0.53 0.00 0.10 0.00 0.00 34.13 29.98 3i7h s GLU 994 CO 0.01 -2.07 1.52 -0.39 0.02 0.00 0.00 175.26 174.35 3i7h h VAL 995 N 6.26 0.00 -3.11 2.63 -1.51 -1.69 -3.47 116.25 115.37 3i7h h VAL 995 Ca -0.06 -0.54 -0.16 0.00 -1.23 0.00 0.00 66.70 64.71 3i7h h VAL 995 Cb 1.04 1.32 -0.25 0.00 -2.13 0.00 0.00 31.29 31.26 3i7h h VAL 995 CO 1.29 0.00 -0.42 -0.83 -1.23 0.00 0.00 177.57 176.39 3i7h s GLY 996 N -3.69 -0.19 0.07 5.19 0.00 -1.20 -4.30 107.32 103.20 3i7h s GLY 996 Ca 0.08 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3i7h s GLY 996 CO 0.67 0.62 -0.05 1.08 0.00 0.00 0.00 173.10 175.43 3i7h s LEU 997 N 0.13 2.49 -0.30 0.66 1.43 0.25 -1.97 118.68 121.38 3i7h s LEU 997 Ca -0.00 -0.98 -0.17 0.00 -1.03 0.00 0.00 54.13 51.94 3i7h s LEU 997 Cb -0.02 0.08 0.20 0.00 0.03 0.00 0.00 46.19 46.48 3i7h s LEU 997 CO 0.00 -0.53 1.25 0.12 0.23 0.00 0.00 176.35 177.42 3i7h s PHE 998 N -3.69 -0.12 -0.49 0.29 5.36 -1.06 -1.45 117.98 116.82 3i7h s PHE 998 Ca 0.08 0.23 -0.24 0.00 -0.96 0.00 0.00 56.93 56.04 3i7h s PHE 998 Cb 0.06 0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.85 3i7h s PHE 998 CO -0.07 -0.06 0.87 -1.58 -1.46 0.00 0.00 175.22 172.92 3i7h s HIS 999 N 1.54 2.90 0.08 10.12 5.65 0.58 0.77 115.29 136.93 3i7h s HIS 999 Ca -0.04 0.13 -0.13 0.00 0.25 0.00 0.00 55.06 55.27 3i7h s HIS 999 Cb -0.02 -3.89 -0.22 0.00 -1.18 0.00 0.00 32.58 27.27 3i7h s HIS 999 CO -0.13 -1.15 1.20 1.25 -0.65 0.00 0.00 174.74 175.26 3i7h h LEU 1000N 10.53 0.88 0.00 8.88 6.46 -0.75 -3.42 115.31 137.90 3i7h h LEU 1000Ca -0.25 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 56.80 3i7h h LEU 1000Cb 1.08 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3i7h h LEU 1000CO 1.02 1.51 0.00 0.61 -0.62 0.00 0.00 178.44 180.96 3i7h n GLY 1001N 1.08 0.97 3.61 3.75 0.00 -0.80 -5.04 105.19 108.75 3i7h n GLY 1001Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 3i7h n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7h s GLU 1002N -0.40 1.95 -0.34 1.61 0.41 -1.26 -5.00 118.70 115.67 3i7h s GLU 1002Ca 0.00 -2.10 -0.01 0.00 -0.41 0.00 0.00 54.97 52.45 3i7h s GLU 1002Cb 0.00 -1.64 0.07 0.00 -1.78 0.00 0.00 34.13 30.78 3i7h s GLU 1002CO 0.00 -0.03 0.06 0.12 -0.49 0.00 0.00 175.26 174.92 3i7h s PHE 1003N -2.70 3.41 -0.05 1.61 5.36 -1.26 -4.26 117.98 120.09 3i7h s PHE 1003Ca 0.35 -2.15 -0.27 0.00 -0.96 0.00 0.00 56.93 53.90 3i7h s PHE 1003Cb 0.09 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 40.23 3i7h s PHE 1003CO 0.18 -0.87 0.86 0.08 -1.46 0.00 0.00 175.22 174.01 3i7h s VAL 1004N 1.18 4.93 -0.03 3.12 1.01 -1.26 -1.77 120.40 127.58 3i7h s VAL 1004Ca 0.00 1.79 0.15 0.00 0.00 0.00 0.00 61.98 63.92 3i7h s VAL 1004Cb -0.21 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 31.74 3i7h s VAL 1004CO -0.03 0.17 0.32 0.59 0.00 0.00 0.00 175.10 176.15 3i7h n ASN 1005N 4.04 1.48 -3.64 3.32 3.02 -0.64 -4.22 115.26 118.62 3i7h n ASN 1005Ca 0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.50 3i7h n ASN 1005Cb 0.51 1.65 -0.07 0.00 -0.61 0.00 0.00 39.78 41.26 3i7h n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i7h s VAL 1006N -3.02 0.00 0.13 2.41 0.11 -1.24 -4.84 120.40 113.95 3i7h s VAL 1006Ca -0.06 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 3i7h s VAL 1006Cb 0.09 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3i7h s VAL 1006CO 0.64 0.00 0.05 -0.36 -3.33 0.00 0.00 175.10 172.10 3i7h s PHE 1007N 1.01 3.03 -0.11 1.54 0.40 -1.26 -1.92 117.98 120.67 3i7h s PHE 1007Ca -0.05 -0.04 -0.28 0.00 -0.60 0.00 0.00 56.93 55.96 3i7h s PHE 1007Cb -0.05 -1.50 0.07 0.00 0.51 0.00 0.00 43.02 42.05 3i7h s PHE 1007CO -0.11 0.51 0.66 0.00 0.70 0.00 0.00 175.22 176.97 3i7h s HIS 1009N -0.75 2.28 0.04 0.00 3.76 -1.26 -1.30 115.29 118.07 3i7h s HIS 1009Ca -0.08 0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 55.16 3i7h s HIS 1009Cb -0.02 -4.36 0.07 0.00 1.11 0.00 0.00 32.58 29.38 3i7h s HIS 1009CO 0.07 -2.00 0.94 0.41 -0.85 0.00 0.00 174.74 173.31 3i7h n GLY 1010N 5.23 0.46 3.29 -2.22 0.00 -1.04 -4.92 105.19 106.00 3i7h n GLY 1010Ca 0.14 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 3i7h n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7h s SER 1011N -3.12 -0.21 0.00 1.61 0.15 -1.26 -4.34 113.70 106.52 3i7h s SER 1011Ca 0.22 -0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.84 3i7h s SER 1011Cb -0.01 0.40 0.20 0.00 -1.71 0.00 0.00 66.02 64.90 3i7h s SER 1011CO 0.01 -0.66 1.13 0.18 1.20 0.00 0.00 173.24 175.10 3i7h n LEU 1012N 0.49 2.54 0.00 3.45 4.77 -1.26 -3.64 117.00 123.35 3i7h n LEU 1012Ca -0.18 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 53.93 3i7h n LEU 1012Cb 0.60 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3i7h n LEU 1012CO 0.20 0.62 0.00 0.52 -1.33 0.00 0.00 177.39 177.41 3i7h n VAL 1013N 0.26 0.00 0.00 4.08 0.31 -1.26 -4.23 118.33 117.48 3i7h n VAL 1013Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3i7h n VAL 1013Cb 0.35 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.25 3i7h n VAL 1013CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3i7h n MET 1014N 0.00 0.00 -0.12 5.55 0.00 -1.26 -4.51 117.12 116.78 3i7h n MET 1014Ca 0.00 0.00 0.26 0.00 -0.00 0.00 0.00 57.70 57.96 3i7h n MET 1014Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 33.22 33.94 3i7h n MET 1014CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i7h h GLN 1015N 0.00 0.00 0.00 2.12 -0.00 -1.97 -3.37 115.11 111.89 3i7h h GLN 1015Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3i7h h GLN 1015Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 3i7h h GLN 1015CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 178.83 178.48 3i7h n PRO 1023N -4.22 0.00 -3.72 -2.39 -0.04 -1.26 -3.67 135.00 119.70 3i7h n PRO 1023Ca 0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3i7h n PRO 1023Cb 0.87 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.33 3i7h n PRO 1023CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i7h s THR 1024N -0.66 0.00 -0.04 0.52 -4.23 -1.26 -5.02 115.64 104.95 3i7h s THR 1024Ca 0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.14 3i7h s THR 1024Cb 0.00 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.66 3i7h s THR 1024CO 0.00 0.00 -0.01 -1.58 -0.54 0.00 0.00 174.62 172.49 3i7h s GLN 1025N -2.57 0.55 0.04 3.99 2.00 -1.02 -5.03 119.66 117.62 3i7h s GLN 1025Ca 0.16 0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.55 3i7h s GLN 1025Cb 0.02 -0.72 0.00 0.00 0.80 0.00 0.00 33.01 33.11 3i7h s GLN 1025CO -0.01 -0.16 0.00 0.41 -0.50 0.00 0.00 175.29 175.03 3i7h n GLY 1026N 4.37 -2.47 3.57 2.59 0.00 -1.26 -0.95 105.19 111.04 3i7h n GLY 1026Ca -0.21 -1.44 -0.00 0.00 0.00 0.00 0.00 46.02 44.37 3i7h n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7h s SER 1027N -4.49 -1.15 -0.16 1.61 0.15 -1.26 -4.43 113.70 103.97 3i7h s SER 1027Ca 0.00 1.45 0.01 0.00 0.70 0.00 0.00 55.95 58.11 3i7h s SER 1027Cb 0.00 2.26 0.02 0.00 -1.71 0.00 0.00 66.02 66.59 3i7h s SER 1027CO 0.00 -0.22 -0.19 -0.69 1.20 0.00 0.00 173.24 173.34 3i7h s VAL 1028N 2.88 1.92 0.11 4.45 1.01 -0.75 -2.49 120.40 127.53 3i7h s VAL 1028Ca -0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 3i7h s VAL 1028Cb -0.12 -1.74 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 3i7h s VAL 1028CO -0.19 0.52 0.53 -0.76 0.00 0.00 0.00 175.10 175.20 3i7h s LEU 1029N 1.16 4.40 0.09 3.92 1.43 -0.42 -1.09 118.68 128.17 3i7h s LEU 1029Ca 0.00 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 3i7h s LEU 1029Cb -0.14 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 3i7h s LEU 1029CO -0.08 0.17 -0.09 0.72 0.23 0.00 0.00 176.35 177.30 3i7h s PHE 1030N -1.33 0.99 -0.07 0.29 -0.12 -1.00 -0.66 117.98 116.08 3i7h s PHE 1030Ca 0.34 -0.66 0.05 0.00 -0.05 0.00 0.00 56.93 56.60 3i7h s PHE 1030Cb -0.16 -0.55 -0.00 0.00 -0.63 0.00 0.00 43.02 41.68 3i7h s PHE 1030CO 0.18 -0.03 -0.22 0.20 -0.05 0.00 0.00 175.22 175.31 3i7h s GLY 1031N -2.38 1.16 0.47 1.99 0.00 -0.81 -1.43 107.32 106.32 3i7h s GLY 1031Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3i7h s GLY 1031CO -0.01 -0.42 0.68 -1.59 0.00 0.00 0.00 173.10 171.76 3i7h s THR 1032N 0.09 3.69 0.29 0.90 2.01 -0.43 -1.62 115.64 120.58 3i7h s THR 1032Ca -0.09 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3i7h s THR 1032Cb -0.14 -3.36 0.10 0.00 0.01 0.00 0.00 72.50 69.10 3i7h s THR 1032CO 0.05 -0.25 1.77 0.58 -0.69 0.00 0.00 174.62 176.08 3i7h h VAL 1033N 0.36 1.24 -0.10 3.82 2.07 -1.60 -0.43 116.25 121.61 3i7h h VAL 1033Ca -0.45 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 65.98 3i7h h VAL 1033Cb 1.26 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3i7h h VAL 1033CO 0.56 0.36 0.00 0.59 0.02 0.00 0.00 177.57 179.09 3i7h n ASN 1034N -4.18 0.55 -0.65 0.57 5.03 -1.26 -3.04 115.26 112.27 3i7h n ASN 1034Ca 0.00 -2.00 -0.06 0.00 0.87 0.00 0.00 54.58 53.39 3i7h n ASN 1034Cb 0.35 -0.08 -0.01 0.00 -1.02 0.00 0.00 39.78 39.02 3i7h n ASN 1034CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i7h n GLY 1035N 0.64 0.26 3.79 7.41 0.00 -1.07 -2.22 105.19 114.01 3i7h n GLY 1035Ca 0.03 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3i7h n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i7h s MET 1036N -3.95 3.94 -0.09 1.61 0.00 -1.26 -4.12 119.30 115.44 3i7h s MET 1036Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 55.69 55.71 3i7h s MET 1036Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 34.83 31.48 3i7h s MET 1036CO 0.00 0.49 -0.06 0.42 0.00 0.00 0.00 175.02 175.87 3i7h s ILE 1037N -0.26 3.78 0.38 10.11 1.01 -0.98 -1.31 121.20 133.93 3i7h s ILE 1037Ca 0.16 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.40 3i7h s ILE 1037Cb -0.13 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3i7h s ILE 1037CO 0.04 0.58 0.14 -0.83 0.00 0.00 0.00 174.94 174.87 3i7h s GLY 1038N -0.59 2.48 -0.07 6.18 0.00 -0.52 -0.31 107.32 114.50 3i7h s GLY 1038Ca 0.09 -1.42 -0.11 0.00 0.00 0.00 0.00 44.72 43.28 3i7h s GLY 1038CO 0.02 -1.77 0.27 -2.27 0.00 0.00 0.00 173.10 169.35 3i7h s LEU 1039N -3.55 0.98 -0.04 0.66 2.96 -0.77 -2.37 118.68 116.54 3i7h s LEU 1039Ca 0.27 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.58 3i7h s LEU 1039Cb 0.03 1.00 0.00 0.00 0.50 0.00 0.00 46.19 47.73 3i7h s LEU 1039CO 0.16 -0.21 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.17 3i7h s VAL 1040N -0.36 1.09 0.33 1.68 1.01 -0.25 -2.31 120.40 121.59 3i7h s VAL 1040Ca -0.05 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.49 3i7h s VAL 1040Cb -0.03 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 3i7h s VAL 1040CO 0.01 0.33 -0.00 -0.89 0.00 0.00 0.00 175.10 174.55 3i7h s THR 1041N 0.30 1.60 0.09 3.92 2.01 -0.23 -1.80 115.64 121.53 3i7h s THR 1041Ca -0.07 -2.05 0.02 0.00 0.31 0.00 0.00 61.69 59.90 3i7h s THR 1041Cb -0.12 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3i7h s THR 1041CO 0.02 -0.11 0.18 -0.44 -0.69 0.00 0.00 174.62 173.58 3i7h s SER 1042N -3.53 6.04 0.23 3.53 0.01 -0.13 -1.96 113.70 117.89 3i7h s SER 1042Ca 0.34 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.73 3i7h s SER 1042Cb 0.07 -1.77 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 3i7h s SER 1042CO 0.15 0.14 0.00 0.18 0.41 0.00 0.00 173.24 174.12 3i7h n LEU 1043N 0.13 0.00 0.00 2.44 4.77 -0.17 -2.43 117.00 121.73 3i7h n LEU 1043Ca -0.07 -1.44 -0.21 0.00 -0.03 0.00 0.00 56.01 54.27 3i7h n LEU 1043Cb 0.52 0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.84 3i7h n LEU 1043CO 0.48 -0.20 0.32 -1.20 -1.33 0.00 0.00 177.39 175.46 3i7h n SER 1044N -1.18 2.27 0.26 -1.43 7.64 -1.26 -4.77 113.62 115.15 3i7h n SER 1044Ca -0.09 -2.63 -0.17 0.00 1.01 0.00 0.00 58.87 56.99 3i7h n SER 1044Cb 0.29 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 63.04 3i7h n SER 1044CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3i7h h GLU 1045N 0.00 -0.85 -0.70 1.43 9.09 -1.99 -2.56 114.58 118.99 3i7h h GLU 1045Ca -0.29 0.06 0.02 0.00 0.05 0.00 0.00 59.36 59.20 3i7h h GLU 1045Cb 1.27 0.19 -0.04 0.00 -1.65 0.00 0.00 28.75 28.53 3i7h h GLU 1045CO 0.42 -0.57 0.45 0.66 0.05 0.00 0.00 179.01 180.02 3i7h h SER 1046N -0.89 0.74 0.21 3.06 4.64 -1.98 -1.86 113.55 117.47 3i7h h SER 1046Ca -0.04 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3i7h h SER 1046Cb 0.78 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3i7h h SER 1046CO -0.07 0.52 -0.10 -0.50 -0.87 0.00 0.00 176.83 175.82 3i7h h TRP 1047N 0.88 -0.26 -0.76 4.77 4.06 -1.97 0.75 115.95 123.42 3i7h h TRP 1047Ca 0.27 -0.01 0.18 0.00 2.06 0.00 0.00 58.89 61.40 3i7h h TRP 1047Cb -0.02 0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3i7h h TRP 1047CO -0.04 0.14 0.52 -0.92 -3.56 0.00 0.00 178.44 174.59 3i7h h TYR 1048N -0.81 0.30 0.01 0.49 3.20 -1.35 1.16 116.97 119.97 3i7h h TYR 1048Ca -0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3i7h h TYR 1048Cb 0.51 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3i7h h TYR 1048CO 0.06 0.10 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.73 3i7h h ASN 1049N 0.25 0.03 -0.31 -2.11 2.35 -1.14 -0.50 115.58 114.15 3i7h h ASN 1049Ca 0.38 -0.98 0.07 0.00 -0.55 0.00 0.00 56.30 55.21 3i7h h ASN 1049Cb 1.11 -0.01 -0.08 0.00 0.05 0.00 0.00 38.32 39.39 3i7h h ASN 1049CO -0.09 1.01 -0.34 0.25 -1.65 0.00 0.00 177.43 176.61 3i7h h LEU 1050N -0.95 -1.10 -0.59 1.61 6.46 0.16 -0.32 115.31 120.58 3i7h h LEU 1050Ca -0.01 0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 3i7h h LEU 1050Cb 1.02 0.49 -0.02 0.00 -0.73 0.00 0.00 40.66 41.42 3i7h h LEU 1050CO 0.01 -0.34 0.12 -0.07 -0.62 0.00 0.00 178.44 177.54 3i7h h LEU 1051N -0.31 0.92 -0.69 2.25 3.38 0.12 0.38 115.31 121.37 3i7h h LEU 1051Ca 0.14 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3i7h h LEU 1051Cb 0.55 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3i7h h LEU 1051CO -0.48 0.93 0.42 0.25 0.09 0.00 0.00 178.44 179.65 3i7h h LEU 1052N 0.87 0.66 0.00 1.67 6.46 -0.85 0.55 115.31 124.68 3i7h h LEU 1052Ca 0.18 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3i7h h LEU 1052Cb 0.39 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3i7h h LEU 1052CO 0.01 0.45 0.00 -0.67 -0.62 0.00 0.00 178.44 177.60 3i7h n ASP 1053N -4.71 0.00 -0.15 1.25 -0.08 -0.15 -2.32 116.55 110.40 3i7h n ASP 1053Ca 0.08 0.74 0.06 0.00 -1.51 0.00 0.00 54.79 54.16 3i7h n ASP 1053Cb 0.12 -0.24 0.11 0.00 2.34 0.00 0.00 41.12 43.45 3i7h n ASP 1053CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3i7h n MET 1054N -1.51 -0.03 0.14 -0.67 2.81 0.13 0.10 117.12 118.09 3i7h n MET 1054Ca 0.00 0.63 -0.14 0.00 -1.81 0.00 0.00 57.70 56.39 3i7h n MET 1054Cb 0.00 -1.00 -0.08 0.00 -0.71 0.00 0.00 33.22 31.44 3i7h n MET 1054CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 3i7h h GLN 1055N 0.00 -0.26 -0.70 0.03 4.20 -0.67 0.35 115.11 118.07 3i7h h GLN 1055Ca 0.25 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 3i7h h GLN 1055Cb 0.49 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 3i7h h GLN 1055CO -0.40 -0.16 0.27 -0.91 -0.67 0.00 0.00 178.83 176.96 3i7h h ASN 1056N -0.29 0.95 -0.26 1.46 4.21 0.11 0.46 115.58 122.23 3i7h h ASN 1056Ca -0.03 -0.14 -0.01 0.00 1.21 0.00 0.00 56.30 57.33 3i7h h ASN 1056Cb 0.22 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 3i7h h ASN 1056CO 0.04 0.85 0.11 0.03 -1.29 0.00 0.00 177.43 177.18 3i7h h ARG 1057N 1.01 0.38 -0.64 0.81 3.08 -1.26 -3.21 114.38 114.54 3i7h h ARG 1057Ca 0.23 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.27 3i7h h ARG 1057Cb 0.20 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3i7h h ARG 1057CO -0.02 0.39 0.43 -0.07 -1.07 0.00 0.00 179.97 179.63 3i7h h LEU 1058N 0.27 0.62 -0.63 3.04 3.38 0.12 -1.98 115.31 120.13 3i7h h LEU 1058Ca 0.09 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3i7h h LEU 1058Cb 0.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3i7h h LEU 1058CO -0.01 0.42 0.28 0.78 0.09 0.00 0.00 178.44 180.00 3i7h h ASN 1059N 0.72 0.84 -0.13 -0.43 4.21 -0.98 -1.35 115.58 118.46 3i7h h ASN 1059Ca 0.27 -0.15 0.04 0.00 1.21 0.00 0.00 56.30 57.67 3i7h h ASN 1059Cb 0.15 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.09 3i7h h ASN 1059CO -0.08 0.75 -0.17 0.11 -1.29 0.00 0.00 177.43 176.75 3i7h h LYS 1060N 0.87 -0.21 0.00 0.81 1.79 -1.40 -3.26 116.57 115.17 3i7h h LYS 1060Ca 0.21 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 3i7h h LYS 1060Cb 0.15 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3i7h h LYS 1060CO -0.02 -0.14 0.00 0.28 -1.08 0.00 0.00 179.45 178.49 3i7h n VAL 1061N -5.32 0.00 -1.63 0.50 0.31 -1.11 -4.91 118.33 106.17 3i7h n VAL 1061Ca -0.03 1.14 -0.49 0.00 -0.01 0.00 0.00 64.34 64.94 3i7h n VAL 1061Cb 0.23 -2.10 -0.05 0.00 -0.91 0.00 0.00 33.84 31.01 3i7h n VAL 1061CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3i7h n ILE 1062N -1.84 0.03 -1.56 2.52 5.41 -0.51 -4.96 119.36 118.44 3i7h n ILE 1062Ca 0.00 -0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.41 3i7h n ILE 1062Cb 0.00 -1.17 0.07 0.00 -0.71 0.00 0.00 39.64 37.83 3i7h n ILE 1062CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3i7h s LYS 1063N 0.86 2.46 -0.25 0.38 1.02 -1.26 -4.88 119.74 118.07 3i7h s LYS 1063Ca 0.83 1.48 -0.02 0.00 0.02 0.00 0.00 55.97 58.28 3i7h s LYS 1063Cb -0.83 -1.90 0.12 0.00 -0.52 0.00 0.00 37.83 34.70 3i7h s LYS 1063CO 0.44 -1.53 0.28 0.45 -0.92 0.00 0.00 175.35 174.07 3i7h s SER 1064N -2.50 1.31 0.00 2.83 0.15 -1.26 -5.10 113.70 109.13 3i7h s SER 1064Ca 0.68 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.95 3i7h s SER 1064Cb -0.23 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 3i7h s SER 1064CO 0.45 -0.35 0.59 0.52 1.20 0.00 0.00 173.24 175.64 3i7h n VAL 1065N 5.32 0.00 -0.60 4.45 0.31 -1.26 0.46 118.33 127.01 3i7h n VAL 1065Ca -0.04 0.93 -0.16 0.00 -0.01 0.00 0.00 64.34 65.06 3i7h n VAL 1065Cb 0.48 -1.27 0.07 0.00 -0.91 0.00 0.00 33.84 32.21 3i7h n VAL 1065CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7h n GLY 1066N -0.95 3.87 3.49 2.92 0.00 -1.26 -4.43 105.19 108.83 3i7h n GLY 1066Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 3i7h n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7h n LYS 1067N -0.09 -1.43 -4.90 1.61 4.01 0.17 -4.80 118.16 112.73 3i7h n LYS 1067Ca 0.33 1.04 -0.28 0.00 -0.51 0.00 0.00 58.31 58.90 3i7h n LYS 1067Cb 0.85 -3.79 -0.16 0.00 -0.51 0.00 0.00 35.03 31.41 3i7h n LYS 1067CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3i7h s ILE 1068N -3.02 1.56 -0.26 -0.18 1.01 -1.24 -4.93 121.20 114.14 3i7h s ILE 1068Ca 0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.63 3i7h s ILE 1068Cb -0.01 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 41.11 3i7h s ILE 1068CO 0.84 0.45 1.22 -1.61 0.00 0.00 0.00 174.94 175.84 3i7h s GLU 1069N 0.24 4.06 0.65 2.79 8.01 -1.26 -4.86 118.70 128.34 3i7h s GLU 1069Ca -0.10 1.34 0.17 0.00 0.01 0.00 0.00 54.97 56.39 3i7h s GLU 1069Cb -0.14 -3.80 0.84 0.00 -4.31 0.00 0.00 34.13 26.72 3i7h s GLU 1069CO 0.04 -0.92 1.45 1.25 0.01 0.00 0.00 175.26 177.09 3i7h h HIS 1070N 8.59 0.00 0.20 1.61 -0.00 -1.98 0.20 115.15 123.78 3i7h h HIS 1070Ca -0.24 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 59.81 3i7h h HIS 1070Cb 1.09 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.52 3i7h h HIS 1070CO 0.84 0.00 -1.47 1.03 -0.00 0.00 0.00 177.93 178.32 3i7h h SER 1071N 0.00 0.67 -0.66 3.26 0.87 -1.98 -1.17 113.55 114.55 3i7h h SER 1071Ca 0.09 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 3i7h h SER 1071Cb 1.58 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 63.29 3i7h h SER 1071CO -0.00 1.69 0.43 0.15 -0.53 0.00 0.00 176.83 178.56 3i7h h PHE 1072N 0.01 0.84 0.31 2.24 3.57 -1.03 -2.97 116.94 119.90 3i7h h PHE 1072Ca -0.28 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 3i7h h PHE 1072Cb 2.03 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.49 3i7h h PHE 1072CO 0.13 0.54 -0.15 2.35 -2.23 0.00 0.00 178.31 178.95 3i7h h TRP 1073N 0.89 -0.38 0.00 0.41 -0.00 -1.25 -2.89 115.95 112.73 3i7h h TRP 1073Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.12 3i7h h TRP 1073Cb -0.08 0.13 0.00 0.00 -0.00 0.00 0.00 29.16 29.20 3i7h h TRP 1073CO -0.02 -0.03 0.00 0.54 -0.00 0.00 0.00 178.44 178.92 3i7h n ARG 1074N -5.10 0.09 -2.48 2.65 5.12 -0.45 -4.70 116.66 111.79 3i7h n ARG 1074Ca -0.09 0.16 -0.41 0.00 -1.93 0.00 0.00 57.85 55.57 3i7h n ARG 1074Cb 0.27 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 3i7h n ARG 1074CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i7h s SER 1075N -2.86 7.21 0.20 0.55 1.04 -1.09 -0.31 113.70 118.44 3i7h s SER 1075Ca 0.12 2.08 -0.33 0.00 0.48 0.00 0.00 55.95 58.31 3i7h s SER 1075Cb 0.12 -2.60 -0.13 0.00 0.10 0.00 0.00 66.02 63.51 3i7h s SER 1075CO 0.32 -0.29 1.61 0.33 0.98 0.00 0.00 173.24 176.19 3i7h n PHE 1076N 2.73 2.47 -3.65 5.02 7.35 -0.70 -4.40 117.46 126.28 3i7h n PHE 1076Ca 0.04 0.21 -0.25 0.00 -0.76 0.00 0.00 57.45 56.70 3i7h n PHE 1076Cb 0.46 -2.58 -0.17 0.00 0.35 0.00 0.00 39.48 37.54 3i7h n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i7h s HIS 1077N 0.80 0.30 0.00 -5.13 5.65 -1.26 -2.60 115.29 113.05 3i7h s HIS 1077Ca 0.75 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.81 3i7h s HIS 1077Cb -0.60 -0.69 0.00 0.00 -1.18 0.00 0.00 32.58 30.10 3i7h s HIS 1077CO 0.38 -0.45 0.00 0.25 -0.65 0.00 0.00 174.74 174.28 3i7h n THR 1078N 5.25 0.00 -0.02 0.89 -2.24 -0.60 -4.87 114.28 112.69 3i7h n THR 1078Ca -0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.78 3i7h n THR 1078Cb 0.49 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 3i7h n THR 1078CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i7h n GLU 1079N 0.00 0.67 -0.37 -0.78 4.07 -1.26 -4.47 120.64 118.50 3i7h n GLU 1079Ca 0.00 -0.14 0.12 0.00 -0.06 0.00 0.00 57.16 57.08 3i7h n GLU 1079Cb 0.00 -1.42 0.32 0.00 -0.06 0.00 0.00 31.44 30.28 3i7h n GLU 1079CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3i7h n ARG 1080N -2.20 2.70 0.00 5.31 0.63 -1.26 -5.01 116.66 116.83 3i7h n ARG 1080Ca -0.07 -2.64 0.00 0.00 -0.92 0.00 0.00 57.85 54.21 3i7h n ARG 1080Cb 0.56 -1.57 0.00 0.00 0.45 0.00 0.00 32.46 31.90 3i7h n ARG 1080CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3i7h n LYS 1081N 1.66 0.00 -3.41 -0.14 2.85 -1.26 -5.10 118.16 112.76 3i7h n LYS 1081Ca 0.25 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.26 3i7h n LYS 1081Cb 0.62 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.90 3i7h n LYS 1081CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3i7h s THR 1082N -2.00 0.02 0.16 0.58 2.01 -1.26 -1.56 115.64 113.59 3i7h s THR 1082Ca 0.00 -1.67 0.01 0.00 0.31 0.00 0.00 61.69 60.35 3i7h s THR 1082Cb 0.00 -0.99 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 3i7h s THR 1082CO 0.00 -0.91 0.31 -1.61 -0.69 0.00 0.00 174.62 171.72 3i7h s GLU 1083N 0.99 3.46 0.88 4.92 0.41 -1.07 -4.96 118.70 123.34 3i7h s GLU 1083Ca 0.21 -0.51 -0.11 0.00 -0.41 0.00 0.00 54.97 54.15 3i7h s GLU 1083Cb -0.16 -2.93 0.12 0.00 -1.78 0.00 0.00 34.13 29.38 3i7h s GLU 1083CO -0.03 0.49 1.10 -1.25 -0.49 0.00 0.00 175.26 175.07 3i7h s PRO 1084N -3.20 1.34 0.25 0.39 0.04 -1.26 -1.73 135.00 130.83 3i7h s PRO 1084Ca 0.36 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 3i7h s PRO 1084Cb -0.11 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 3i7h s PRO 1084CO 0.29 -2.25 1.59 0.00 0.04 0.00 0.00 177.00 176.67 3i7h s ALA 1085N -2.84 3.77 -0.02 8.56 0.00 -1.26 -4.55 121.76 125.42 3i7h s ALA 1085Ca 0.64 1.51 0.05 0.00 0.00 0.00 0.00 51.96 54.16 3i7h s ALA 1085Cb -0.19 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 3i7h s ALA 1085CO 0.57 -0.91 -0.17 0.99 0.00 0.00 0.00 175.76 176.24 3i7h s THR 1086N 0.37 1.39 -1.70 0.00 2.01 -0.53 -4.85 115.64 112.32 3i7h s THR 1086Ca 0.66 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3i7h s THR 1086Cb -0.47 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 70.88 3i7h s THR 1086CO 0.42 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 3i7h n GLY 1087N 2.72 0.91 3.25 4.40 0.00 -1.26 0.88 105.19 116.09 3i7h n GLY 1087Ca -0.15 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 3i7h n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7h s PHE 1088N -2.73 1.27 -0.23 1.61 0.40 -1.26 -0.34 117.98 116.71 3i7h s PHE 1088Ca 0.00 -1.08 -0.19 0.00 -0.60 0.00 0.00 56.93 55.06 3i7h s PHE 1088Cb 0.00 -0.73 0.06 0.00 0.51 0.00 0.00 43.02 42.86 3i7h s PHE 1088CO 0.00 -0.27 0.59 0.42 0.70 0.00 0.00 175.22 176.65 3i7h s ILE 1089N -3.72 -0.00 -0.55 0.64 1.01 -0.81 -4.85 121.20 112.92 3i7h s ILE 1089Ca 0.28 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 3i7h s ILE 1089Cb 0.07 -0.83 0.14 0.00 0.01 0.00 0.00 42.46 41.85 3i7h s ILE 1089CO 0.07 0.00 0.45 1.51 0.00 0.00 0.00 174.94 176.97 3i7h s ASP 1090N 0.65 5.90 0.44 3.58 3.84 -1.26 -0.49 116.67 129.33 3i7h s ASP 1090Ca -0.03 -2.11 0.39 0.00 -0.00 0.00 0.00 52.55 50.80 3i7h s ASP 1090Cb -0.05 -2.06 1.38 0.00 -1.38 0.00 0.00 42.92 40.81 3i7h s ASP 1090CO -0.04 -0.67 1.26 0.61 -0.00 0.00 0.00 175.17 176.33 3i7h n GLY 1091N 4.68 -0.79 0.31 2.12 0.00 -0.44 0.16 105.19 111.23 3i7h n GLY 1091Ca -0.04 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.43 3i7h n GLY 1091CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i7h h ASP 1092N 0.00 -0.84 -0.43 1.61 5.19 -1.90 0.96 116.42 121.02 3i7h h ASP 1092Ca 0.76 0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 57.15 3i7h h ASP 1092Cb 2.96 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 42.80 3i7h h ASP 1092CO -0.06 -0.35 -0.23 0.25 -3.12 0.00 0.00 179.24 175.73 3i7h h LEU 1093N -0.43 0.97 -0.62 1.55 7.12 0.13 -2.84 115.31 121.19 3i7h h LEU 1093Ca 0.06 -0.37 0.00 0.00 0.13 0.00 0.00 57.88 57.71 3i7h h LEU 1093Cb 0.51 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.35 3i7h h LEU 1093CO -0.25 1.15 0.40 0.40 -0.13 0.00 0.00 178.44 180.01 3i7h h ILE 1094N 0.81 1.17 0.00 4.05 2.04 -0.82 -3.05 117.51 121.70 3i7h h ILE 1094Ca 0.10 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 3i7h h ILE 1094Cb 0.80 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3i7h h ILE 1094CO 0.07 0.16 -0.11 -0.33 0.00 0.00 0.00 178.15 177.94 3i7h h GLU 1095N 0.84 0.00 -0.27 2.37 5.08 0.12 -1.47 114.58 121.24 3i7h h GLU 1095Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3i7h h GLU 1095Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3i7h h GLU 1095CO -0.05 0.11 0.00 -1.13 -1.00 0.00 0.00 179.01 176.94 3i7h n SER 1096N -3.76 0.27 0.08 1.42 3.41 -1.15 -2.22 113.62 111.67 3i7h n SER 1096Ca -0.02 -1.41 -0.12 0.00 -0.26 0.00 0.00 58.87 57.06 3i7h n SER 1096Cb 0.22 -0.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3i7h n SER 1096CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i7h h PHE 1097N 0.11 0.41 0.00 7.33 3.57 -1.43 -3.18 116.94 123.75 3i7h h PHE 1097Ca 0.00 -0.25 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 3i7h h PHE 1097Cb 0.14 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3i7h h PHE 1097CO 0.00 1.11 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.83 3i7h h LEU 1098N 0.12 0.00 -5.97 0.59 3.38 -1.68 -3.28 115.31 108.47 3i7h h LEU 1098Ca -0.08 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.14 3i7h h LEU 1098Cb 1.67 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.27 3i7h h LEU 1098CO 0.16 0.29 2.16 0.47 0.09 0.00 0.00 178.44 181.61 3i7h n ASP 1099N -3.28 7.04 -3.86 -0.43 10.43 -1.20 -4.91 116.55 120.34 3i7h n ASP 1099Ca 0.01 -3.17 -0.12 0.00 2.57 0.00 0.00 54.79 54.09 3i7h n ASP 1099Cb 0.55 -1.38 -0.12 0.00 1.84 0.00 0.00 41.12 42.01 3i7h n ASP 1099CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3i7h s ILE 1100N -0.91 0.04 0.07 0.53 1.01 -1.24 -4.99 121.20 115.71 3i7h s ILE 1100Ca 0.48 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 3i7h s ILE 1100Cb 0.15 -0.25 -0.09 0.00 0.01 0.00 0.00 42.46 42.29 3i7h s ILE 1100CO -0.06 -0.16 1.69 -0.94 0.00 0.00 0.00 174.94 175.48 3i7h s SER 1101N -0.51 6.57 0.32 3.58 1.04 -1.26 -4.87 113.70 118.57 3i7h s SER 1101Ca -0.06 2.53 0.09 0.00 0.48 0.00 0.00 55.95 58.99 3i7h s SER 1101Cb -0.04 -2.56 0.94 0.00 0.10 0.00 0.00 66.02 64.46 3i7h s SER 1101CO 0.00 -0.91 1.63 0.03 0.98 0.00 0.00 173.24 174.97 3i7h h ARG 1102N 8.50 0.17 -0.72 4.02 3.08 -1.96 0.45 114.38 127.91 3i7h h ARG 1102Ca -0.43 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.70 3i7h h ARG 1102Cb 1.20 -0.04 -0.11 0.00 0.08 0.00 0.00 29.97 31.10 3i7h h ARG 1102CO 0.93 0.11 -0.50 -1.35 -1.07 0.00 0.00 179.97 178.09 3i7h h PRO 1103N 0.17 -0.16 0.00 0.04 0.11 -2.00 0.32 132.00 130.48 3i7h h PRO 1103Ca 0.67 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.76 3i7h h PRO 1103Cb 1.50 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.64 3i7h h PRO 1103CO -0.70 -0.11 -0.13 0.87 -0.21 0.00 0.00 178.00 177.71 3i7h h LYS 1104N -0.17 0.00 0.00 1.05 1.57 -1.35 -2.55 116.57 115.12 3i7h h LYS 1104Ca 0.17 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3i7h h LYS 1104Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3i7h h LYS 1104CO -0.78 0.13 -0.27 1.98 -0.57 0.00 0.00 179.45 179.94 3i7h h MET 1105N 0.00 0.00 0.00 3.15 4.05 0.64 -2.38 114.93 120.38 3i7h h MET 1105Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3i7h h MET 1105Cb 0.24 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3i7h h MET 1105CO 0.02 0.27 -0.48 1.04 0.23 0.00 0.00 176.91 178.00 3i7h n GLN 1106N -3.41 0.16 0.06 0.39 6.02 0.57 -4.13 117.38 117.03 3i7h n GLN 1106Ca 0.00 0.05 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3i7h n GLN 1106Cb 0.47 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 30.11 3i7h n GLN 1106CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i7h h GLU 1107N 0.00 -0.17 -6.61 -1.09 4.81 -1.35 -3.39 114.58 106.78 3i7h h GLU 1107Ca 0.00 0.01 -0.59 0.00 -0.13 0.00 0.00 59.36 58.66 3i7h h GLU 1107Cb 0.63 0.04 0.13 0.00 0.63 0.00 0.00 28.75 30.18 3i7h h GLU 1107CO 0.00 -0.11 0.10 0.28 -0.73 0.00 0.00 179.01 178.55 3i7h n VAL 1108N -3.07 2.41 -2.31 0.32 0.31 -1.13 -3.01 118.33 111.84 3i7h n VAL 1108Ca -0.02 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.75 3i7h n VAL 1108Cb 0.07 -1.09 0.03 0.00 -0.91 0.00 0.00 33.84 31.94 3i7h n VAL 1108CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i7h n VAL 1109N -0.55 -2.83 -1.20 2.52 0.31 -1.26 -4.76 118.33 110.56 3i7h n VAL 1109Ca 0.10 -0.30 -0.10 0.00 -0.01 0.00 0.00 64.34 64.03 3i7h n VAL 1109Cb 0.39 -3.73 0.24 0.00 -0.91 0.00 0.00 33.84 29.82 3i7h n VAL 1109CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i7h n ALA 1110N -2.08 4.69 0.00 3.52 0.00 -1.17 -4.74 120.51 120.74 3i7h n ALA 1110Ca -0.07 -2.72 0.00 0.00 0.00 0.00 0.00 53.44 50.65 3i7h n ALA 1110Cb 0.55 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3i7h n ALA 1110CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i7h n ASN 1111N -0.75 0.00 -1.20 0.00 0.23 -1.26 -5.13 115.26 107.14 3i7h n ASN 1111Ca 0.43 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.48 3i7h n ASN 1111Cb 1.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 39.05 3i7h n ASN 1111CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3i7h n ARG 1122N -1.62 -3.29 0.00 -3.83 -4.01 -1.26 -4.68 116.66 97.97 3i7h n ARG 1122Ca 0.00 2.50 0.00 0.00 -1.04 0.00 0.00 57.85 59.31 3i7h n ARG 1122Cb 0.00 -2.96 0.00 0.00 -3.04 0.00 0.00 32.46 26.46 3i7h n ARG 1122CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 3i7h n GLU 1123N -1.63 0.00 0.00 2.89 4.71 -1.26 -5.08 120.64 120.28 3i7h n GLU 1123Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i7h n GLU 1123Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.61 3i7h n GLU 1123CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i7h n ALA 1124N -3.00 0.00 -3.10 0.62 0.00 -1.26 -5.18 120.51 108.60 3i7h n ALA 1124Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3i7h n ALA 1124Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3i7h n ALA 1124CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i7h s THR 1125N 0.00 0.06 0.18 0.00 2.01 -1.26 -4.78 115.64 111.85 3i7h s THR 1125Ca 0.00 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 3i7h s THR 1125Cb 0.00 -0.38 0.09 0.00 0.01 0.00 0.00 72.50 72.22 3i7h s THR 1125CO 0.00 -0.26 1.85 0.00 -0.69 0.00 0.00 174.62 175.52 3i7h h ALA 1126N 4.75 0.74 -0.05 7.40 0.00 -1.89 -2.67 119.26 127.54 3i7h h ALA 1126Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i7h h ALA 1126Cb 1.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i7h h ALA 1126CO 0.40 0.16 0.00 -0.25 0.00 0.00 0.00 179.25 179.56 3i7h n ASP 1127N -4.69 0.48 0.00 0.00 8.00 -1.26 -0.28 116.55 118.80 3i7h n ASP 1127Ca 0.04 -1.54 0.03 0.00 0.71 0.00 0.00 54.79 54.03 3i7h n ASP 1127Cb 0.03 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 3i7h n ASP 1127CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3i7h n ASP 1128N -0.45 0.39 -0.10 -2.24 2.03 -1.06 -4.54 116.55 110.58 3i7h n ASP 1128Ca 0.14 0.16 -0.21 0.00 0.52 0.00 0.00 54.79 55.40 3i7h n ASP 1128Cb 0.14 1.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.47 3i7h n ASP 1128CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3i7h n LEU 1129N -2.61 1.42 0.07 -2.67 -0.00 -0.67 -3.56 117.00 108.98 3i7h n LEU 1129Ca -0.11 0.24 0.15 0.00 -0.00 0.00 0.00 56.01 56.28 3i7h n LEU 1129Cb 0.77 -0.58 0.29 0.00 -0.00 0.00 0.00 43.42 43.90 3i7h n LEU 1129CO 0.44 0.42 1.13 -0.29 -0.00 0.00 0.00 177.39 179.09 3i7h h ILE 1130N -0.70 0.02 0.10 1.96 2.10 -0.92 0.29 117.51 120.36 3i7h h ILE 1130Ca -0.50 0.00 -0.34 0.00 1.08 0.00 0.00 64.86 65.10 3i7h h ILE 1130Cb 1.44 0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 37.24 3i7h h ILE 1130CO -0.30 0.00 -1.84 1.17 -1.08 0.00 0.00 178.15 176.10 3i7h n LYS 1131N -2.93 0.72 -0.08 2.19 4.81 -1.26 -3.79 118.16 117.82 3i7h n LYS 1131Ca 0.11 0.33 -0.07 0.00 -0.87 0.00 0.00 58.31 57.81 3i7h n LYS 1131Cb 1.18 -1.72 -0.00 0.00 0.02 0.00 0.00 35.03 34.51 3i7h n LYS 1131CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i7h h VAL 1132N -0.17 0.57 -0.76 3.15 2.07 -0.51 -2.38 116.25 118.23 3i7h h VAL 1132Ca -0.41 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3i7h h VAL 1132Cb 1.88 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3i7h h VAL 1132CO 0.02 0.00 0.45 0.58 0.02 0.00 0.00 177.57 178.64 3i7h h VAL 1133N -0.08 1.22 -0.97 2.57 2.07 -1.56 -2.73 116.25 116.77 3i7h h VAL 1133Ca 0.16 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3i7h h VAL 1133Cb 0.32 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3i7h h VAL 1133CO -0.36 0.23 0.64 -0.33 0.02 0.00 0.00 177.57 177.77 3i7h h GLU 1134N 1.04 1.23 -0.25 1.57 5.08 -1.54 0.20 114.58 121.91 3i7h h GLU 1134Ca 0.27 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3i7h h GLU 1134Cb -0.02 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 3i7h h GLU 1134CO -0.05 0.82 0.24 0.93 -1.00 0.00 0.00 179.01 179.95 3i7h h GLU 1135N 1.27 0.00 0.08 2.33 5.08 -1.14 -1.88 114.58 120.31 3i7h h GLU 1135Ca 0.37 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.43 3i7h h GLU 1135Cb -0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3i7h h GLU 1135CO -0.10 0.00 -1.56 -0.07 -1.00 0.00 0.00 179.01 176.29 3i7h h LEU 1136N 0.00 0.26 -1.92 1.33 3.38 -0.67 -3.26 115.31 114.44 3i7h h LEU 1136Ca 0.12 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.73 3i7h h LEU 1136Cb 0.60 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3i7h h LEU 1136CO -0.00 1.34 0.16 0.71 0.09 0.00 0.00 178.44 180.74 3i7h h THR 1137N 0.05 0.94 0.00 0.22 1.35 -0.45 0.26 112.91 115.28 3i7h h THR 1137Ca -0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3i7h h THR 1137Cb 1.99 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 3i7h h THR 1137CO 0.13 0.02 0.00 0.54 -0.25 0.00 0.00 175.52 175.96 3i7h n ARG 1138N -4.49 0.41 0.12 4.72 1.74 -0.90 -3.32 116.66 114.94 3i7h n ARG 1138Ca 0.02 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 3i7h n ARG 1138Cb 0.24 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.63 3i7h n ARG 1138CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3i7h n ILE 1139N -1.22 0.71 -1.54 0.55 3.06 0.92 -4.93 119.36 116.91 3i7h n ILE 1139Ca 0.12 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.37 3i7h n ILE 1139Cb 0.15 -0.90 0.00 0.00 0.54 0.00 0.00 39.64 39.44 3i7h n ILE 1139CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05