#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7l s SER 2 N 0.00 5.57 -0.24 3.17 0.15 -1.26 -5.10 113.70 115.98 3i7l s SER 2 Ca 0.00 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.79 3i7l s SER 2 Cb 0.00 -1.86 0.06 0.00 -1.71 0.00 0.00 66.02 62.51 3i7l s SER 2 CO 0.00 0.24 -0.08 -0.31 1.20 0.00 0.00 173.24 174.29 3i7l s TYR 3 N -0.04 2.75 0.25 3.44 2.02 -1.26 -4.11 117.35 120.40 3i7l s TYR 3 Ca 0.06 -1.99 0.04 0.00 -0.37 0.00 0.00 57.07 54.80 3i7l s TYR 3 Cb -0.12 -1.72 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3i7l s TYR 3 CO 0.01 -0.82 0.01 -0.80 -1.57 0.00 0.00 175.55 172.38 3i7l s ASN 4 N 1.28 1.91 -0.15 2.29 0.01 -0.06 -1.43 114.94 118.79 3i7l s ASN 4 Ca -0.07 -1.25 -0.05 0.00 -0.71 0.00 0.00 52.86 50.78 3i7l s ASN 4 Cb -0.19 -0.00 0.07 0.00 0.41 0.00 0.00 41.25 41.54 3i7l s ASN 4 CO -0.06 -0.53 0.31 -0.47 -1.51 0.00 0.00 177.10 174.84 3i7l s TYR 5 N -3.40 -0.53 -0.16 2.20 5.04 -1.01 -0.43 117.35 119.06 3i7l s TYR 5 Ca 0.30 1.13 -0.01 0.00 -2.44 0.00 0.00 57.07 56.05 3i7l s TYR 5 Cb 0.06 0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 3i7l s TYR 5 CO 0.10 -0.39 -0.11 0.14 -1.34 0.00 0.00 175.55 173.95 3i7l s VAL 6 N 2.45 3.07 0.13 3.14 -7.23 0.38 -2.24 120.40 120.10 3i7l s VAL 6 Ca 0.00 -0.63 0.10 0.00 -1.81 0.00 0.00 61.98 59.64 3i7l s VAL 6 Cb -0.12 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3i7l s VAL 6 CO -0.10 0.49 -0.25 0.68 -0.31 0.00 0.00 175.10 175.62 3i7l s VAL 7 N 0.79 2.13 0.18 1.32 -7.23 -0.84 0.10 120.40 116.85 3i7l s VAL 7 Ca -0.04 -1.75 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 3i7l s VAL 7 Cb -0.15 -1.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 3i7l s VAL 7 CO 0.01 0.02 0.88 -0.89 -0.31 0.00 0.00 175.10 174.81 3i7l s THR 8 N -1.19 4.29 -0.20 5.32 2.01 -1.26 -1.22 115.64 123.40 3i7l s THR 8 Ca 0.13 1.93 0.01 0.00 0.31 0.00 0.00 61.69 64.07 3i7l s THR 8 Cb -0.10 -4.25 -0.12 0.00 0.01 0.00 0.00 72.50 68.04 3i7l s THR 8 CO 0.06 0.46 -0.18 0.00 -0.69 0.00 0.00 174.62 174.28 3i7l n ALA 9 N 1.86 1.59 -3.66 7.40 0.00 -0.48 -4.94 120.51 122.27 3i7l n ALA 9 Ca -0.02 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.41 3i7l n ALA 9 Cb 0.48 0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.83 3i7l n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i7l s GLN 10 N -2.39 0.44 0.80 0.00 2.00 -1.11 -4.97 119.66 114.42 3i7l s GLN 10 Ca -0.26 0.02 -0.12 0.00 -2.00 0.00 0.00 55.36 53.00 3i7l s GLN 10 Cb 0.07 -0.56 0.08 0.00 0.80 0.00 0.00 33.01 33.39 3i7l s GLN 10 CO 0.44 -0.11 1.13 0.15 -0.50 0.00 0.00 175.29 176.40 3i7l s LYS 11 N 0.94 1.89 0.23 1.67 1.02 -1.26 -2.36 119.74 121.86 3i7l s LYS 11 Ca -0.10 1.42 -0.32 0.00 0.02 0.00 0.00 55.97 56.99 3i7l s LYS 11 Cb -0.13 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 35.21 3i7l s LYS 11 CO -0.01 -1.96 1.45 -0.35 -0.92 0.00 0.00 175.35 173.56 3i7l n PRO 12 N -3.50 2.10 -0.00 -1.68 -0.04 -1.26 -4.40 135.00 126.22 3i7l n PRO 12 Ca 0.11 0.75 0.01 0.00 -0.04 0.00 0.00 63.50 64.33 3i7l n PRO 12 Cb 0.52 -2.44 -0.01 0.00 -0.04 0.00 0.00 33.50 31.53 3i7l n PRO 12 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i7l n THR 13 N 2.23 0.00 -2.08 0.52 -2.24 -0.93 -4.85 114.28 106.93 3i7l n THR 13 Ca 0.12 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3i7l n THR 13 Cb 0.31 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.14 3i7l n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7l s ALA 14 N -1.84 3.51 -0.21 6.98 0.00 -0.69 -4.69 121.76 124.81 3i7l s ALA 14 Ca -0.00 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 3i7l s ALA 14 Cb 0.01 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3i7l s ALA 14 CO 0.08 -0.69 0.18 0.08 0.00 0.00 0.00 175.76 175.41 3i7l s VAL 15 N -1.11 5.36 -0.02 0.00 1.01 -0.88 -4.55 120.40 120.21 3i7l s VAL 15 Ca 0.50 0.28 0.14 0.00 0.00 0.00 0.00 61.98 62.90 3i7l s VAL 15 Cb -0.41 -3.52 -0.22 0.00 0.00 0.00 0.00 36.38 32.23 3i7l s VAL 15 CO 0.54 0.39 0.31 0.59 0.00 0.00 0.00 175.10 176.92 3i7l n ASN 16 N 3.87 1.70 -3.48 3.32 4.13 0.46 -4.20 115.26 121.05 3i7l n ASN 16 Ca -0.14 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.01 3i7l n ASN 16 Cb 0.52 1.63 -0.02 0.00 -1.54 0.00 0.00 39.78 40.36 3i7l n ASN 16 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3i7l s GLY 17 N -3.70 -0.51 -0.29 7.41 0.00 -1.14 -4.89 107.32 104.20 3i7l s GLY 17 Ca -0.05 0.94 -0.15 0.00 0.00 0.00 0.00 44.72 45.46 3i7l s GLY 17 CO 0.60 0.37 0.88 0.00 0.00 0.00 0.00 173.10 174.95 3i7l s VAL 19 N 1.78 1.12 0.09 0.00 0.11 -0.47 -4.76 120.40 118.28 3i7l s VAL 19 Ca -0.08 -1.37 0.10 0.00 -2.93 0.00 0.00 61.98 57.70 3i7l s VAL 19 Cb -0.05 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 3i7l s VAL 19 CO -0.17 -0.27 -0.26 0.28 -3.33 0.00 0.00 175.10 171.35 3i7l s THR 20 N -1.45 2.28 -4.79 5.04 -1.32 -1.26 -0.23 115.64 113.90 3i7l s THR 20 Ca -0.00 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 3i7l s THR 20 Cb -0.09 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3i7l s THR 20 CO 0.02 0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 3i7l n GLY 21 N 1.27 -0.50 2.57 6.08 0.00 -0.96 -4.94 105.19 108.70 3i7l n GLY 21 Ca -0.17 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 3i7l n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i7l n HIS 22 N 8.63 2.01 -0.05 1.61 8.25 -1.26 0.15 115.22 134.56 3i7l n HIS 22 Ca 0.00 -3.96 -0.06 0.00 -0.26 0.00 0.00 57.72 53.44 3i7l n HIS 22 Cb 0.00 -0.39 -0.06 0.00 1.12 0.00 0.00 29.99 30.66 3i7l n HIS 22 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3i7l n PHE 23 N 1.75 0.00 -0.03 4.41 7.35 -1.26 -0.68 117.46 128.99 3i7l n PHE 23 Ca 0.25 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.80 3i7l n PHE 23 Cb 0.42 -0.42 -0.09 0.00 0.35 0.00 0.00 39.48 39.73 3i7l n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i7l h THR 24 N 0.00 1.44 -2.96 -2.13 2.02 -1.92 -3.39 112.91 105.97 3i7l h THR 24 Ca -0.24 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.34 3i7l h THR 24 Cb 1.45 2.33 -0.00 0.00 -1.74 0.00 0.00 68.15 70.18 3i7l h THR 24 CO -0.01 0.45 0.29 -0.94 0.37 0.00 0.00 175.52 175.68 3i7l s SER 25 N -6.20 -0.01 -0.00 4.18 1.04 -1.26 -4.94 113.70 106.50 3i7l s SER 25 Ca -0.15 -1.08 -0.19 0.00 0.48 0.00 0.00 55.95 55.01 3i7l s SER 25 Cb 0.03 0.82 -0.29 0.00 0.10 0.00 0.00 66.02 66.67 3i7l s SER 25 CO 0.74 -1.62 1.00 0.00 0.98 0.00 0.00 173.24 174.35 3i7l h ALA 26 N 2.00 -0.04 -1.47 5.32 0.00 -1.80 -3.35 119.26 119.93 3i7l h ALA 26 Ca -0.31 -0.70 -0.57 0.00 0.00 0.00 0.00 54.91 53.33 3i7l h ALA 26 Cb 1.25 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 3i7l h ALA 26 CO 0.39 0.47 0.88 -1.21 0.00 0.00 0.00 179.25 179.77 3i7l s GLU 27 N -2.77 3.16 0.00 0.00 8.01 -1.26 -4.81 118.70 121.04 3i7l s GLU 27 Ca -0.12 -0.46 0.00 0.00 0.01 0.00 0.00 54.97 54.40 3i7l s GLU 27 Cb 0.03 -4.20 0.00 0.00 -4.31 0.00 0.00 34.13 25.65 3i7l s GLU 27 CO 0.86 -2.03 0.00 -0.25 0.01 0.00 0.00 175.26 173.85 3i7l n ASP 28 N 8.77 0.00 -4.08 -0.19 9.92 -1.26 -5.07 116.55 124.64 3i7l n ASP 28 Ca 0.01 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.94 3i7l n ASP 28 Cb 0.48 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.80 3i7l n ASP 28 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i7l s LEU 29 N 0.00 2.56 0.30 0.64 2.96 -1.26 -4.45 118.68 119.42 3i7l s LEU 29 Ca 0.00 -0.92 0.07 0.00 -0.22 0.00 0.00 54.13 53.06 3i7l s LEU 29 Cb 0.00 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 3i7l s LEU 29 CO 0.00 -0.08 0.34 0.20 -1.32 0.00 0.00 176.35 175.48 3i7l s ASN 30 N 1.25 5.77 -0.12 3.68 0.01 0.41 -0.15 114.94 125.80 3i7l s ASN 30 Ca -0.00 -0.22 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 3i7l s ASN 30 Cb -0.16 -1.34 0.04 0.00 0.41 0.00 0.00 41.25 40.20 3i7l s ASN 30 CO -0.10 -0.24 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.02 3i7l s LEU 31 N -4.01 0.92 -0.28 0.60 2.96 -0.73 -2.27 118.68 115.86 3i7l s LEU 31 Ca 0.39 -0.36 -0.14 0.00 -0.22 0.00 0.00 54.13 53.80 3i7l s LEU 31 Cb -0.08 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.99 3i7l s LEU 31 CO 0.28 -0.21 0.33 -0.76 -1.32 0.00 0.00 176.35 174.67 3i7l s LEU 32 N 1.87 4.10 -0.28 -0.68 1.02 0.68 -2.04 118.68 123.35 3i7l s LEU 32 Ca 0.03 0.13 -0.11 0.00 0.02 0.00 0.00 54.13 54.21 3i7l s LEU 32 Cb -0.14 -2.34 -0.05 0.00 0.02 0.00 0.00 46.19 43.69 3i7l s LEU 32 CO -0.07 -0.18 0.17 -0.63 0.02 0.00 0.00 176.35 175.67 3i7l s ILE 33 N 1.99 5.16 -0.10 -0.59 1.01 0.12 -1.36 121.20 127.42 3i7l s ILE 33 Ca 0.13 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.70 3i7l s ILE 33 Cb -0.16 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3i7l s ILE 33 CO 0.10 0.25 0.47 0.00 0.00 0.00 0.00 174.94 175.77 3i7l s ALA 34 N 1.74 3.50 0.00 9.38 0.00 0.28 -0.34 121.76 136.32 3i7l s ALA 34 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3i7l s ALA 34 Cb -0.16 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.34 3i7l s ALA 34 CO 0.10 0.06 0.00 1.63 0.00 0.00 0.00 175.76 177.55 3i7l n LYS 35 N 3.44 0.00 0.00 0.00 4.76 -0.81 -0.41 118.16 125.15 3i7l n LYS 35 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3i7l n LYS 35 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3i7l n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3i7l n ASN 36 N 0.00 0.00 -0.62 4.39 5.15 -1.26 -3.71 115.26 119.21 3i7l n ASN 36 Ca 0.00 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.11 3i7l n ASN 36 Cb 0.00 0.00 0.28 0.00 -0.53 0.00 0.00 39.78 39.53 3i7l n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i7l n THR 37 N -1.54 0.00 -4.27 -0.44 -2.24 -1.26 -0.42 114.28 104.11 3i7l n THR 37 Ca 0.00 -0.32 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 3i7l n THR 37 Cb 0.00 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.09 3i7l n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i7l s ARG 38 N -2.14 2.34 -0.09 -0.78 1.81 -1.26 0.13 118.95 118.97 3i7l s ARG 38 Ca 0.30 -0.90 0.02 0.00 -1.72 0.00 0.00 55.73 53.43 3i7l s ARG 38 Cb 0.20 -2.41 0.01 0.00 -0.45 0.00 0.00 34.95 32.30 3i7l s ARG 38 CO 0.38 0.54 -0.15 -1.17 -0.68 0.00 0.00 175.30 174.23 3i7l s LEU 39 N -2.01 1.71 -0.18 2.53 2.96 -0.94 -1.91 118.68 120.84 3i7l s LEU 39 Ca 0.21 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 3i7l s LEU 39 Cb -0.11 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.58 3i7l s LEU 39 CO 0.13 0.04 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.45 3i7l s GLU 40 N 0.78 3.18 -0.24 1.98 2.02 0.54 -2.45 118.70 124.51 3i7l s GLU 40 Ca -0.12 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.09 3i7l s GLU 40 Cb -0.16 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.38 3i7l s GLU 40 CO 0.02 -0.11 -0.03 0.42 0.02 0.00 0.00 175.26 175.59 3i7l s ILE 41 N 1.13 3.29 0.25 -1.63 1.01 0.21 0.11 121.20 125.56 3i7l s ILE 41 Ca 0.01 -0.73 0.12 0.00 0.00 0.00 0.00 60.65 60.04 3i7l s ILE 41 Cb -0.14 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 3i7l s ILE 41 CO -0.05 0.28 -0.20 -0.31 0.00 0.00 0.00 174.94 174.66 3i7l s TYR 42 N 1.43 2.33 -0.19 3.97 1.51 -0.86 -1.01 117.35 124.53 3i7l s TYR 42 Ca 0.03 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3i7l s TYR 42 Cb -0.16 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.60 3i7l s TYR 42 CO -0.03 0.64 0.00 0.08 -1.11 0.00 0.00 175.55 175.13 3i7l s VAL 43 N -2.20 4.03 0.07 0.71 1.01 0.42 -1.78 120.40 122.66 3i7l s VAL 43 Ca 0.27 -0.29 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 3i7l s VAL 43 Cb -0.06 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.42 3i7l s VAL 43 CO 0.14 0.44 1.78 -0.69 0.00 0.00 0.00 175.10 176.77 3i7l s VAL 44 N 0.83 2.91 0.27 2.92 1.01 0.79 0.57 120.40 129.70 3i7l s VAL 44 Ca 0.01 0.26 0.11 0.00 0.00 0.00 0.00 61.98 62.35 3i7l s VAL 44 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3i7l s VAL 44 CO 0.02 -0.01 -0.17 0.42 0.00 0.00 0.00 175.10 175.36 3i7l s THR 45 N 3.19 2.30 0.38 3.92 -4.23 0.46 -4.77 115.64 116.90 3i7l s THR 45 Ca 0.79 -2.35 0.22 0.00 -1.18 0.00 0.00 61.69 59.18 3i7l s THR 45 Cb -0.42 -2.30 0.37 0.00 1.34 0.00 0.00 72.50 71.49 3i7l s THR 45 CO 0.35 -0.41 1.58 0.00 -0.54 0.00 0.00 174.62 175.61 3i7l h ALA 46 N 2.29 2.26 0.19 3.99 0.00 -1.99 -1.80 119.26 124.19 3i7l h ALA 46 Ca -0.40 0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 3i7l h ALA 46 Cb 1.25 0.32 0.02 0.00 0.00 0.00 0.00 17.79 19.38 3i7l h ALA 46 CO 0.62 -1.03 -1.33 1.05 0.00 0.00 0.00 179.25 178.56 3i7l h GLU 47 N 0.01 0.39 0.00 0.00 -0.00 -1.99 -3.51 114.58 109.48 3i7l h GLU 47 Ca 0.85 -0.67 0.00 0.00 -0.00 0.00 0.00 59.36 59.54 3i7l h GLU 47 Cb 2.32 0.25 0.00 0.00 -0.00 0.00 0.00 28.75 31.32 3i7l h GLU 47 CO -0.72 1.32 0.00 0.41 -0.00 0.00 0.00 179.01 180.02 3i7l n GLY 48 N 1.74 -0.73 3.19 1.06 0.00 -0.68 -5.12 105.19 104.65 3i7l n GLY 48 Ca -0.19 0.55 -0.31 0.00 0.00 0.00 0.00 46.02 46.07 3i7l n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7l s LEU 49 N 0.00 2.05 -0.51 0.99 2.01 -1.26 -0.40 118.68 121.55 3i7l s LEU 49 Ca 0.00 -0.54 -0.22 0.00 0.01 0.00 0.00 54.13 53.37 3i7l s LEU 49 Cb 0.00 -1.36 0.04 0.00 0.01 0.00 0.00 46.19 44.88 3i7l s LEU 49 CO 0.00 0.13 0.80 -0.60 1.01 0.00 0.00 176.35 177.69 3i7l s ARG 50 N 0.45 3.27 -0.09 1.70 3.52 0.19 -4.87 118.95 123.14 3i7l s ARG 50 Ca -0.17 -0.45 -0.34 0.00 -0.13 0.00 0.00 55.73 54.65 3i7l s ARG 50 Cb -0.17 -4.04 -0.11 0.00 -1.56 0.00 0.00 34.95 29.06 3i7l s ARG 50 CO 0.07 -1.32 1.91 -2.30 -0.81 0.00 0.00 175.30 172.85 3i7l n PRO 51 N 6.87 2.23 -0.03 5.12 -0.02 -1.26 -0.44 135.00 147.47 3i7l n PRO 51 Ca -0.01 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.21 3i7l n PRO 51 Cb 0.47 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 3i7l n PRO 51 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3i7l n VAL 52 N 5.30 1.04 -3.73 -1.45 3.14 -0.40 -4.91 118.33 117.32 3i7l n VAL 52 Ca 0.23 0.11 -0.13 0.00 -2.96 0.00 0.00 64.34 61.59 3i7l n VAL 52 Cb 0.31 -1.80 -0.13 0.00 -1.06 0.00 0.00 33.84 31.16 3i7l n VAL 52 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 3i7l s LYS 53 N -2.30 0.18 -0.13 1.45 2.47 -0.18 -5.00 119.74 116.23 3i7l s LYS 53 Ca -0.14 0.49 0.01 0.00 -1.56 0.00 0.00 55.97 54.77 3i7l s LYS 53 Cb 0.04 -0.13 0.02 0.00 -1.46 0.00 0.00 37.83 36.29 3i7l s LYS 53 CO 0.19 -0.16 -0.16 -2.00 0.16 0.00 0.00 175.35 173.38 3i7l s GLU 54 N 1.22 2.36 0.51 4.03 -6.30 -1.26 0.64 118.70 119.90 3i7l s GLU 54 Ca -0.09 -0.60 0.01 0.00 -2.50 0.00 0.00 54.97 51.79 3i7l s GLU 54 Cb -0.11 -2.04 -0.01 0.00 0.00 0.00 0.00 34.13 31.97 3i7l s GLU 54 CO -0.08 -0.12 0.02 0.14 0.02 0.00 0.00 175.26 175.24 3i7l s VAL 55 N 1.15 1.05 0.15 3.70 -7.23 -1.03 -5.00 120.40 113.20 3i7l s VAL 55 Ca -0.02 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.22 3i7l s VAL 55 Cb -0.14 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3i7l s VAL 55 CO -0.05 0.00 -0.06 -0.83 -0.31 0.00 0.00 175.10 173.85 3i7l s GLY 56 N -3.86 1.76 0.28 2.32 0.00 -1.26 -2.21 107.32 104.35 3i7l s GLY 56 Ca 0.06 -1.35 0.10 0.00 0.00 0.00 0.00 44.72 43.52 3i7l s GLY 56 CO 0.04 -1.36 -0.01 1.06 0.00 0.00 0.00 173.10 172.83 3i7l s MET 57 N -2.66 2.22 -1.01 2.90 -1.94 0.36 -4.62 119.30 114.55 3i7l s MET 57 Ca 0.25 -1.50 -0.02 0.00 -1.71 0.00 0.00 55.69 52.71 3i7l s MET 57 Cb -0.10 -2.10 0.31 0.00 2.01 0.00 0.00 34.83 34.95 3i7l s MET 57 CO 0.16 0.31 1.92 0.66 -0.01 0.00 0.00 175.02 178.06 3i7l n TYR 58 N -0.90 2.77 0.00 -0.03 4.01 -1.26 -4.79 117.16 116.96 3i7l n TYR 58 Ca -0.06 -2.53 0.00 0.00 -0.16 0.00 0.00 57.90 55.15 3i7l n TYR 58 Cb 0.60 -1.25 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 3i7l n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i7l n GLY 59 N 0.01 2.34 3.65 2.72 0.00 -1.26 -4.48 105.19 108.17 3i7l n GLY 59 Ca 0.49 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 3i7l n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7l s LYS 60 N -2.00 4.13 -0.04 1.61 1.02 -1.26 -4.19 119.74 119.00 3i7l s LYS 60 Ca 0.00 1.43 -0.30 0.00 0.02 0.00 0.00 55.97 57.12 3i7l s LYS 60 Cb 0.00 -3.78 -0.06 0.00 -0.52 0.00 0.00 37.83 33.47 3i7l s LYS 60 CO 0.00 -0.84 1.79 0.42 -0.92 0.00 0.00 175.35 175.80 3i7l s ILE 61 N 3.73 3.37 -0.04 2.17 1.01 0.44 -1.74 121.20 130.14 3i7l s ILE 61 Ca 0.52 0.44 0.04 0.00 0.00 0.00 0.00 60.65 61.65 3i7l s ILE 61 Cb -0.18 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 3i7l s ILE 61 CO 0.16 -0.06 0.03 0.00 0.00 0.00 0.00 174.94 175.07 3i7l n ALA 62 N 7.58 1.94 -3.03 9.38 0.00 -0.18 -4.92 120.51 131.28 3i7l n ALA 62 Ca 0.19 -0.25 -0.20 0.00 0.00 0.00 0.00 53.44 53.17 3i7l n ALA 62 Cb 0.42 0.11 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 3i7l n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i7l s VAL 63 N -2.14 0.80 -0.21 0.00 1.01 -1.03 -4.91 120.40 113.93 3i7l s VAL 63 Ca -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3i7l s VAL 63 Cb 0.02 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.78 3i7l s VAL 63 CO 0.18 0.25 0.21 -0.32 0.00 0.00 0.00 175.10 175.42 3i7l s MET 64 N 0.20 0.19 0.02 2.72 0.00 -1.26 -2.27 119.30 118.90 3i7l s MET 64 Ca -0.03 0.14 0.01 0.00 0.00 0.00 0.00 55.69 55.81 3i7l s MET 64 Cb -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 34.83 33.50 3i7l s MET 64 CO 0.01 -0.69 -0.05 -1.21 0.00 0.00 0.00 175.02 173.08 3i7l s GLU 65 N 2.31 0.39 -0.00 4.11 0.41 -0.80 -4.83 118.70 120.27 3i7l s GLU 65 Ca 0.07 -0.49 -0.01 0.00 -0.41 0.00 0.00 54.97 54.13 3i7l s GLU 65 Cb -0.16 -0.19 -0.04 0.00 -1.78 0.00 0.00 34.13 31.96 3i7l s GLU 65 CO -0.14 0.04 0.14 -0.51 -0.49 0.00 0.00 175.26 174.30 3i7l s LEU 66 N -0.99 4.15 0.17 1.80 1.43 -1.26 -0.21 118.68 123.77 3i7l s LEU 66 Ca -0.07 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 3i7l s LEU 66 Cb -0.07 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.70 3i7l s LEU 66 CO -0.00 0.26 0.41 0.72 0.23 0.00 0.00 176.35 177.97 3i7l s PHE 67 N -1.27 0.08 -0.32 0.29 -0.12 -0.74 -4.98 117.98 110.92 3i7l s PHE 67 Ca 0.26 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 3i7l s PHE 67 Cb -0.12 0.19 0.10 0.00 -0.63 0.00 0.00 43.02 42.56 3i7l s PHE 67 CO 0.17 -0.81 0.09 1.03 -0.05 0.00 0.00 175.22 175.65 3i7l s ARG 68 N -3.90 0.86 0.67 1.99 0.52 -1.26 -0.03 118.95 117.80 3i7l s ARG 68 Ca 0.11 -1.24 -0.13 0.00 -0.52 0.00 0.00 55.73 53.95 3i7l s ARG 68 Cb 0.01 -2.22 0.00 0.00 0.52 0.00 0.00 34.95 33.27 3i7l s ARG 68 CO -0.03 -0.98 1.08 -2.14 0.02 0.00 0.00 175.30 173.24 3i7l s PRO 69 N 1.46 2.88 -0.22 3.54 0.02 -1.26 -4.84 135.00 136.59 3i7l s PRO 69 Ca 0.10 1.16 -0.38 0.00 0.02 0.00 0.00 61.00 61.90 3i7l s PRO 69 Cb -0.18 -1.98 -0.18 0.00 0.02 0.00 0.00 34.50 32.19 3i7l s PRO 69 CO -0.22 -1.16 1.17 0.36 -0.33 0.00 0.00 177.00 176.83 3i7l n LYS 70 N -2.74 0.00 -3.36 5.54 2.85 -1.26 -2.93 118.16 116.26 3i7l n LYS 70 Ca 0.09 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.17 3i7l n LYS 70 Cb 0.53 -1.32 0.01 0.00 -0.65 0.00 0.00 35.03 33.60 3i7l n LYS 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i7l n GLY 71 N 2.41 -1.00 2.81 2.58 0.00 -1.26 -5.02 105.19 105.71 3i7l n GLY 71 Ca 0.22 0.80 -0.17 0.00 0.00 0.00 0.00 46.02 46.87 3i7l n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7l s GLU 72 N -3.47 0.26 0.19 1.61 0.41 -1.15 -5.07 118.70 111.48 3i7l s GLU 72 Ca 0.12 0.09 -0.10 0.00 -0.41 0.00 0.00 54.97 54.67 3i7l s GLU 72 Cb -0.02 -0.46 0.10 0.00 -1.78 0.00 0.00 34.13 31.97 3i7l s GLU 72 CO 0.83 -0.14 1.73 0.66 -0.49 0.00 0.00 175.26 177.84 3i7l h SER 73 N 7.28 0.95 -2.68 -0.19 4.64 -1.95 -3.46 113.55 118.14 3i7l h SER 73 Ca -0.42 -0.20 -0.54 0.00 -0.47 0.00 0.00 61.79 60.16 3i7l h SER 73 Cb 1.13 -0.25 -0.13 0.00 -0.31 0.00 0.00 62.40 62.84 3i7l h SER 73 CO 0.47 0.89 -0.57 -1.59 -0.87 0.00 0.00 176.83 175.16 3i7l s LYS 74 N -5.46 1.83 0.75 4.77 -2.85 -1.26 -4.48 119.74 113.04 3i7l s LYS 74 Ca -0.13 -2.07 -0.11 0.00 -1.00 0.00 0.00 55.97 52.67 3i7l s LYS 74 Cb 0.14 -0.97 0.04 0.00 -2.06 0.00 0.00 37.83 34.98 3i7l s LYS 74 CO 0.82 -0.27 1.08 -0.51 0.10 0.00 0.00 175.35 176.57 3i7l s ASP 75 N -3.59 4.81 0.29 0.03 -0.00 0.14 -4.88 116.67 113.47 3i7l s ASP 75 Ca 0.29 1.67 0.10 0.00 -0.00 0.00 0.00 52.55 54.62 3i7l s ASP 75 Cb 0.06 -2.45 -0.05 0.00 -0.00 0.00 0.00 42.92 40.49 3i7l s ASP 75 CO 0.14 -1.82 -0.06 -0.76 -0.00 0.00 0.00 175.17 172.68 3i7l s LEU 76 N -5.77 2.97 -0.22 1.23 1.43 0.96 -4.76 118.68 114.52 3i7l s LEU 76 Ca 0.60 -0.83 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3i7l s LEU 76 Cb -0.16 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 3i7l s LEU 76 CO 0.56 -0.04 -0.01 -0.22 0.23 0.00 0.00 176.35 176.86 3i7l s LEU 77 N -3.64 3.07 -0.16 1.79 2.96 0.61 -1.79 118.68 121.52 3i7l s LEU 77 Ca 0.32 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.83 3i7l s LEU 77 Cb -0.05 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 3i7l s LEU 77 CO 0.18 -0.01 0.12 0.12 -1.32 0.00 0.00 176.35 175.45 3i7l s PHE 78 N 1.41 3.47 -0.01 5.38 5.36 0.71 0.87 117.98 135.17 3i7l s PHE 78 Ca 0.05 0.39 -0.02 0.00 -0.96 0.00 0.00 56.93 56.39 3i7l s PHE 78 Cb -0.14 -2.05 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 3i7l s PHE 78 CO -0.01 0.48 0.04 0.42 -1.46 0.00 0.00 175.22 174.69 3i7l s ILE 79 N -0.28 0.02 -0.06 3.12 1.01 -0.93 -1.91 121.20 122.18 3i7l s ILE 79 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 3i7l s ILE 79 Cb -0.12 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 42.25 3i7l s ILE 79 CO 0.01 -0.10 -0.01 -0.22 0.00 0.00 0.00 174.94 174.62 3i7l s LEU 80 N -0.28 0.90 0.55 2.97 2.96 -0.96 -1.70 118.68 123.12 3i7l s LEU 80 Ca -0.03 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3i7l s LEU 80 Cb -0.02 -0.40 0.02 0.00 0.50 0.00 0.00 46.19 46.28 3i7l s LEU 80 CO 0.00 -0.14 0.81 0.42 -1.32 0.00 0.00 176.35 176.13 3i7l s THR 81 N 1.49 3.27 -0.01 3.68 -4.23 0.39 -1.01 115.64 119.23 3i7l s THR 81 Ca -0.02 -0.38 0.31 0.00 -1.18 0.00 0.00 61.69 60.41 3i7l s THR 81 Cb -0.13 -3.26 0.34 0.00 1.34 0.00 0.00 72.50 70.78 3i7l s THR 81 CO -0.03 -0.22 1.93 0.00 -0.54 0.00 0.00 174.62 175.76 3i7l h ALA 82 N 0.01 1.00 -0.53 3.99 0.00 -1.68 -0.78 119.26 121.27 3i7l h ALA 82 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i7l h ALA 82 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3i7l h ALA 82 CO 0.57 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.45 3i7l n LYS 83 N -2.72 2.23 -1.78 0.00 5.02 -1.26 -4.94 118.16 114.71 3i7l n LYS 83 Ca 0.00 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 3i7l n LYS 83 Cb 0.20 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3i7l n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i7l n TYR 84 N 1.05 0.00 -2.72 2.13 4.02 -0.30 -4.86 117.16 116.48 3i7l n TYR 84 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.64 3i7l n TYR 84 Cb 0.45 -0.89 -0.03 0.00 -0.02 0.00 0.00 39.34 38.85 3i7l n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i7l s ASN 85 N -2.95 6.97 -0.00 7.72 -0.87 -1.25 -0.74 114.94 123.82 3i7l s ASN 85 Ca 0.00 1.17 0.03 0.00 -1.57 0.00 0.00 52.86 52.49 3i7l s ASN 85 Cb 0.00 -2.51 -0.03 0.00 -0.02 0.00 0.00 41.25 38.69 3i7l s ASN 85 CO 0.00 -0.69 -0.06 0.00 -2.57 0.00 0.00 177.10 173.78 3i7l s ALA 86 N 3.23 3.04 -0.06 0.60 0.00 -0.11 -0.46 121.76 128.00 3i7l s ALA 86 Ca 0.42 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 51.13 3i7l s ALA 86 Cb -0.14 -1.15 0.05 0.00 0.00 0.00 0.00 23.12 21.88 3i7l s ALA 86 CO 0.09 0.61 0.54 0.00 0.00 0.00 0.00 175.76 177.01 3i7l s ILE 88 N -1.06 5.26 0.13 0.00 1.01 0.88 -2.18 121.20 125.24 3i7l s ILE 88 Ca -0.11 0.67 0.10 0.00 0.00 0.00 0.00 60.65 61.31 3i7l s ILE 88 Cb -0.02 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3i7l s ILE 88 CO 0.07 0.40 -0.20 -0.76 0.00 0.00 0.00 174.94 174.44 3i7l s LEU 89 N 0.33 2.60 0.03 2.97 1.43 0.25 -1.55 118.68 124.74 3i7l s LEU 89 Ca 0.19 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 3i7l s LEU 89 Cb -0.14 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 3i7l s LEU 89 CO 0.06 0.17 -0.13 -0.70 0.23 0.00 0.00 176.35 175.98 3i7l s GLU 90 N -2.21 0.90 -0.31 1.70 2.12 0.13 -0.28 118.70 120.75 3i7l s GLU 90 Ca 0.18 -0.70 -0.16 0.00 0.36 0.00 0.00 54.97 54.64 3i7l s GLU 90 Cb -0.10 -0.89 -0.02 0.00 0.26 0.00 0.00 34.13 33.38 3i7l s GLU 90 CO 0.09 0.22 0.44 -0.47 -0.54 0.00 0.00 175.26 175.00 3i7l s TYR 91 N -0.79 3.22 -0.11 5.30 5.04 -1.26 -0.70 117.35 128.06 3i7l s TYR 91 Ca 0.01 0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.95 3i7l s TYR 91 Cb -0.07 -2.72 0.02 0.00 0.35 0.00 0.00 41.96 39.54 3i7l s TYR 91 CO 0.01 -0.37 -0.12 0.21 -1.34 0.00 0.00 175.55 173.94 3i7l s LYS 92 N 2.20 1.88 -0.12 4.97 2.20 -0.59 -4.93 119.74 125.34 3i7l s LYS 92 Ca 0.16 -0.42 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 3i7l s LYS 92 Cb -0.16 -1.71 -0.24 0.00 -1.51 0.00 0.00 37.83 34.22 3i7l s LYS 92 CO 0.11 -0.14 0.35 0.94 -0.36 0.00 0.00 175.35 176.25 3i7l n GLN 93 N 4.45 0.69 0.00 4.03 7.27 -1.26 -1.15 117.38 131.41 3i7l n GLN 93 Ca -0.17 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.12 3i7l n GLN 93 Cb 0.51 -1.69 0.00 0.00 2.41 0.00 0.00 30.24 31.47 3i7l n GLN 93 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3i7l n SER 94 N -3.20 0.00 0.00 1.69 7.64 -1.26 -4.06 113.62 114.42 3i7l n SER 94 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3i7l n SER 94 Cb 1.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 3i7l n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i7l n GLY 95 N 0.13 -0.13 0.70 0.23 0.00 -1.26 -4.06 105.19 100.80 3i7l n GLY 95 Ca 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 44.19 3i7l n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7l n GLU 96 N 0.00 2.42 -4.25 1.61 1.02 -1.26 -4.96 120.64 115.21 3i7l n GLU 96 Ca 0.00 -1.96 -0.35 0.00 -0.02 0.00 0.00 57.16 54.84 3i7l n GLU 96 Cb 0.00 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 3i7l n GLU 96 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3i7l s SER 97 N -1.02 5.28 -0.04 1.62 1.04 -1.26 -5.11 113.70 114.21 3i7l s SER 97 Ca 0.24 0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 3i7l s SER 97 Cb 0.13 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 3i7l s SER 97 CO 0.18 0.26 0.21 -0.63 0.98 0.00 0.00 173.24 174.25 3i7l s ILE 98 N -0.19 5.39 -0.02 -1.02 1.09 -1.26 -4.34 121.20 120.85 3i7l s ILE 98 Ca 0.06 0.15 0.01 0.00 -1.10 0.00 0.00 60.65 59.76 3i7l s ILE 98 Cb -0.12 -3.51 0.02 0.00 -1.06 0.00 0.00 42.46 37.78 3i7l s ILE 98 CO 0.02 0.46 -0.01 -1.81 -0.10 0.00 0.00 174.94 173.50 3i7l s ASP 99 N -1.49 0.36 -0.53 3.58 1.01 -0.30 -5.04 116.67 114.26 3i7l s ASP 99 Ca 0.23 -0.03 -0.12 0.00 0.71 0.00 0.00 52.55 53.34 3i7l s ASP 99 Cb -0.13 -0.16 0.13 0.00 1.01 0.00 0.00 42.92 43.78 3i7l s ASP 99 CO 0.12 -0.06 0.44 -0.63 0.21 0.00 0.00 175.17 175.25 3i7l s ILE 100 N 0.69 4.65 0.07 0.77 1.01 -1.26 -1.54 121.20 125.58 3i7l s ILE 100 Ca -0.07 -1.80 -0.07 0.00 0.00 0.00 0.00 60.65 58.71 3i7l s ILE 100 Cb -0.10 -4.01 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3i7l s ILE 100 CO -0.01 -0.83 0.35 -0.51 0.00 0.00 0.00 174.94 173.93 3i7l s ILE 101 N 1.27 5.18 -0.53 2.92 1.10 0.12 -4.67 121.20 126.60 3i7l s ILE 101 Ca 0.06 0.23 -0.23 0.00 -0.51 0.00 0.00 60.65 60.21 3i7l s ILE 101 Cb -0.26 -3.62 0.04 0.00 0.15 0.00 0.00 42.46 38.78 3i7l s ILE 101 CO -0.00 0.24 0.85 -0.89 -2.11 0.00 0.00 174.94 173.03 3i7l s THR 102 N -1.44 4.53 0.18 4.00 2.01 -1.26 0.20 115.64 123.86 3i7l s THR 102 Ca 0.33 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.32 3i7l s THR 102 Cb -0.13 -4.46 0.07 0.00 0.01 0.00 0.00 72.50 67.99 3i7l s THR 102 CO 0.19 -1.01 1.67 0.03 -0.69 0.00 0.00 174.62 174.81 3i7l h ARG 103 N 9.21 1.02 -2.12 4.92 2.47 -1.63 -3.48 114.38 124.77 3i7l h ARG 103 Ca -0.26 -0.27 0.02 0.00 -1.26 0.00 0.00 59.98 58.20 3i7l h ARG 103 Cb 1.08 -0.12 -0.18 0.00 -1.65 0.00 0.00 29.97 29.10 3i7l h ARG 103 CO 1.05 0.95 0.34 0.00 0.56 0.00 0.00 179.97 182.88 3i7l s ALA 104 N -5.21 -1.79 0.20 0.04 0.00 -1.20 -4.90 121.76 108.90 3i7l s ALA 104 Ca -0.12 1.18 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 3i7l s ALA 104 Cb 0.13 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.36 3i7l s ALA 104 CO 0.84 -0.49 0.68 -3.38 0.00 0.00 0.00 175.76 173.40 3i7l s HIS 105 N -2.01 -0.37 0.00 0.00 -3.43 -0.55 -0.08 115.29 108.84 3i7l s HIS 105 Ca -0.03 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 3i7l s HIS 105 Cb -0.00 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.77 3i7l s HIS 105 CO -0.00 -1.00 0.00 0.41 -2.00 0.00 0.00 174.74 172.15 3i7l n GLY 106 N -0.41 1.85 3.62 -1.38 0.00 -0.71 -4.04 105.19 104.12 3i7l n GLY 106 Ca -0.11 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.76 3i7l n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7l s ASN 107 N 0.00 6.11 -0.61 1.61 3.84 -1.26 -0.93 114.94 123.70 3i7l s ASN 107 Ca 0.00 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.18 3i7l s ASN 107 Cb 0.00 -2.14 0.44 0.00 -0.55 0.00 0.00 41.25 39.00 3i7l s ASN 107 CO 0.00 -0.03 1.82 1.33 -2.79 0.00 0.00 177.10 177.43 3i7l n VAL 108 N 4.77 3.35 -4.06 -5.21 0.24 0.08 -4.98 118.33 112.52 3i7l n VAL 108 Ca -0.13 -3.48 -0.35 0.00 -2.04 0.00 0.00 64.34 58.34 3i7l n VAL 108 Cb 0.52 -1.17 -0.07 0.00 -1.47 0.00 0.00 33.84 31.65 3i7l n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7l s GLN 109 N -3.80 3.22 0.13 7.34 -2.07 -1.26 -5.02 119.66 118.20 3i7l s GLN 109 Ca 0.60 -0.33 0.08 0.00 -1.82 0.00 0.00 55.36 53.88 3i7l s GLN 109 Cb 0.47 -2.99 -0.04 0.00 -1.09 0.00 0.00 33.01 29.37 3i7l s GLN 109 CO -0.07 0.71 -0.10 -0.51 -1.32 0.00 0.00 175.29 174.00 3i7l s ASP 110 N -1.35 4.34 -0.03 12.60 1.01 -1.26 -5.02 116.67 126.96 3i7l s ASP 110 Ca 0.19 -0.46 -0.25 0.00 0.71 0.00 0.00 52.55 52.74 3i7l s ASP 110 Cb -0.12 -0.79 -0.19 0.00 1.01 0.00 0.00 42.92 42.83 3i7l s ASP 110 CO 0.09 0.15 1.17 0.03 0.21 0.00 0.00 175.17 176.82 3i7l h ARG 111 N 3.33 -0.10 -6.38 8.23 -0.00 -2.04 -3.40 114.38 114.03 3i7l h ARG 111 Ca -0.48 0.01 -0.57 0.00 -0.50 0.00 0.00 59.98 58.43 3i7l h ARG 111 Cb 1.18 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 31.14 3i7l h ARG 111 CO 0.53 0.36 1.16 0.96 0.00 0.00 0.00 179.97 182.98 3i7l s ILE 112 N -4.10 3.70 0.00 2.04 -4.36 -1.26 -4.93 121.20 112.28 3i7l s ILE 112 Ca -0.15 0.72 0.00 0.00 -0.26 0.00 0.00 60.65 60.96 3i7l s ILE 112 Cb 0.01 -3.88 0.00 0.00 1.25 0.00 0.00 42.46 39.84 3i7l s ILE 112 CO 0.62 -0.53 0.00 0.61 0.24 0.00 0.00 174.94 175.88 3i7l n GLY 113 N 5.14 1.41 3.26 6.27 0.00 -1.26 -5.04 105.19 114.97 3i7l n GLY 113 Ca 0.20 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 46.23 3i7l n GLY 113 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i7l s ARG 114 N 0.00 2.61 -0.58 1.61 1.70 -1.26 -5.04 118.95 117.99 3i7l s ARG 114 Ca 0.00 -1.54 -0.34 0.00 -0.47 0.00 0.00 55.73 53.38 3i7l s ARG 114 Cb 0.00 -3.86 -0.15 0.00 -0.57 0.00 0.00 34.95 30.37 3i7l s ARG 114 CO 0.00 -1.03 2.36 -2.30 -1.08 0.00 0.00 175.30 173.25 3i7l n PRO 115 N 4.95 0.56 -0.56 3.89 -0.02 -1.26 -2.50 135.00 140.05 3i7l n PRO 115 Ca -0.10 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.19 3i7l n PRO 115 Cb 0.42 -2.16 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 3i7l n PRO 115 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i7l n SER 116 N 10.51 -1.71 -4.78 2.55 3.41 -1.05 -4.88 113.62 117.67 3i7l n SER 116 Ca 0.50 -0.07 -0.34 0.00 -0.26 0.00 0.00 58.87 58.70 3i7l n SER 116 Cb 0.17 -1.21 0.02 0.00 -0.26 0.00 0.00 64.21 62.93 3i7l n SER 116 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3i7l s GLU 117 N -4.16 3.10 -0.97 4.33 2.12 -1.26 -3.10 118.70 118.77 3i7l s GLU 117 Ca 0.65 1.43 0.00 0.00 0.36 0.00 0.00 54.97 57.40 3i7l s GLU 117 Cb -0.22 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.18 3i7l s GLU 117 CO 0.65 -1.02 0.00 0.25 -0.54 0.00 0.00 175.26 174.60 3i7l n THR 118 N -1.94 0.00 -2.20 -1.70 -2.24 -1.26 -4.94 114.28 100.00 3i7l n THR 118 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3i7l n THR 118 Cb 0.52 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 3i7l n THR 118 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7l n GLY 119 N -1.00 0.88 3.72 3.38 0.00 -1.18 -4.75 105.19 106.25 3i7l n GLY 119 Ca -0.09 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3i7l n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7l s ILE 120 N 0.00 4.69 -0.09 -0.61 1.01 -1.26 -4.76 121.20 120.17 3i7l s ILE 120 Ca 0.00 2.00 0.04 0.00 0.00 0.00 0.00 60.65 62.69 3i7l s ILE 120 Cb 0.00 -4.29 -0.00 0.00 0.01 0.00 0.00 42.46 38.18 3i7l s ILE 120 CO 0.00 0.26 -0.24 -0.63 0.00 0.00 0.00 174.94 174.33 3i7l s ILE 121 N 0.42 2.02 -0.24 2.92 1.01 -1.06 -4.94 121.20 121.34 3i7l s ILE 121 Ca 0.48 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3i7l s ILE 121 Cb -0.22 -1.74 0.05 0.00 0.01 0.00 0.00 42.46 40.56 3i7l s ILE 121 CO 0.28 0.55 -0.13 -0.83 0.00 0.00 0.00 174.94 174.81 3i7l s GLY 122 N 0.29 1.59 0.17 6.18 0.00 -1.26 -1.56 107.32 112.73 3i7l s GLY 122 Ca -0.17 -1.63 0.10 0.00 0.00 0.00 0.00 44.72 43.03 3i7l s GLY 122 CO 0.08 0.53 -0.20 -0.26 0.00 0.00 0.00 173.10 173.25 3i7l s ILE 123 N 1.15 2.65 -0.08 0.90 -4.36 0.11 -4.93 121.20 116.64 3i7l s ILE 123 Ca -0.05 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.58 3i7l s ILE 123 Cb -0.18 -2.26 -0.00 0.00 1.25 0.00 0.00 42.46 41.26 3i7l s ILE 123 CO -0.07 -0.05 -0.24 -0.63 0.24 0.00 0.00 174.94 174.19 3i7l s ILE 124 N -1.50 2.03 0.53 8.37 1.01 -1.26 0.12 121.20 130.50 3i7l s ILE 124 Ca 0.20 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.63 3i7l s ILE 124 Cb -0.09 -1.74 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 3i7l s ILE 124 CO 0.11 0.56 1.15 1.51 0.00 0.00 0.00 174.94 178.27 3i7l s ASP 125 N 0.15 5.74 0.55 3.58 1.47 -1.02 -4.80 116.67 122.34 3i7l s ASP 125 Ca -0.13 2.25 0.23 0.00 1.18 0.00 0.00 52.55 56.09 3i7l s ASP 125 Cb -0.16 -2.59 1.47 0.00 -0.34 0.00 0.00 42.92 41.29 3i7l s ASP 125 CO 0.07 -1.21 2.11 -0.65 0.68 0.00 0.00 175.17 176.16 3i7l h PRO 126 N 1.36 0.00 -0.02 2.11 0.11 -1.90 -1.57 132.00 132.09 3i7l h PRO 126 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i7l h PRO 126 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3i7l h PRO 126 CO 0.57 0.00 -0.03 0.39 -0.21 0.00 0.00 178.00 178.72 3i7l n GLU 127 N -4.23 1.76 -2.53 1.05 1.02 -1.26 -4.96 120.64 111.49 3i7l n GLU 127 Ca 0.02 -1.18 -0.19 0.00 -0.02 0.00 0.00 57.16 55.79 3i7l n GLU 127 Cb 0.29 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 3i7l n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7l h ARG 129 N -0.40 0.14 -3.29 0.00 3.08 -1.91 -3.41 114.38 108.59 3i7l h ARG 129 Ca -0.44 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 59.41 3i7l h ARG 129 Cb 1.32 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 31.29 3i7l h ARG 129 CO 0.50 0.93 0.01 0.00 -1.07 0.00 0.00 179.97 180.34 3i7l s MET 130 N -3.16 1.17 -0.12 0.04 0.23 -1.26 -0.53 119.30 115.67 3i7l s MET 130 Ca -0.02 -0.68 0.01 0.00 -1.03 0.00 0.00 55.69 53.96 3i7l s MET 130 Cb 0.10 0.51 -0.02 0.00 -1.53 0.00 0.00 34.83 33.89 3i7l s MET 130 CO 0.82 -0.48 -0.14 0.42 -2.03 0.00 0.00 175.02 173.61 3i7l s ILE 131 N -3.80 2.99 -0.14 3.16 1.01 -0.86 -2.42 121.20 121.13 3i7l s ILE 131 Ca 0.04 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 3i7l s ILE 131 Cb 0.01 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3i7l s ILE 131 CO -0.11 0.53 0.08 -0.83 0.00 0.00 0.00 174.94 174.62 3i7l s GLY 132 N 0.23 1.99 -0.08 6.18 0.00 0.32 -1.63 107.32 114.32 3i7l s GLY 132 Ca -0.09 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3i7l s GLY 132 CO 0.05 -0.21 -0.11 1.08 0.00 0.00 0.00 173.10 173.91 3i7l s LEU 133 N -0.36 1.56 -0.48 0.66 1.02 -0.72 0.09 118.68 120.45 3i7l s LEU 133 Ca 0.10 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 53.93 3i7l s LEU 133 Cb -0.12 -0.85 0.13 0.00 0.02 0.00 0.00 46.19 45.37 3i7l s LEU 133 CO 0.02 0.00 0.26 -0.60 0.02 0.00 0.00 176.35 176.05 3i7l s ARG 134 N 0.90 2.09 -0.22 1.70 3.00 -0.60 -1.02 118.95 124.81 3i7l s ARG 134 Ca -0.10 -2.15 -0.16 0.00 -1.00 0.00 0.00 55.73 52.32 3i7l s ARG 134 Cb -0.15 -3.54 -0.11 0.00 0.00 0.00 0.00 34.95 31.14 3i7l s ARG 134 CO 0.01 -1.09 -0.17 1.28 0.00 0.00 0.00 175.30 175.33 3i7l n LEU 135 N 4.02 1.90 -4.50 -0.88 4.77 -1.26 -2.55 117.00 118.50 3i7l n LEU 135 Ca 0.03 0.41 -0.24 0.00 -0.03 0.00 0.00 56.01 56.17 3i7l n LEU 135 Cb 0.39 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 3i7l n LEU 135 CO 0.32 0.16 -0.46 -0.31 -1.33 0.00 0.00 177.39 175.77 3i7l s TYR 136 N -2.50 2.38 0.38 -1.77 1.51 -1.26 -2.51 117.35 113.56 3i7l s TYR 136 Ca -0.30 -0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 55.17 3i7l s TYR 136 Cb 0.08 -1.06 -0.11 0.00 -0.11 0.00 0.00 41.96 40.77 3i7l s TYR 136 CO 0.46 0.67 1.43 -0.25 -1.11 0.00 0.00 175.55 176.75 3i7l n ASP 137 N -0.53 3.45 0.00 2.29 8.00 -1.04 -3.00 116.55 125.71 3i7l n ASP 137 Ca -0.06 1.21 0.00 0.00 0.71 0.00 0.00 54.79 56.65 3i7l n ASP 137 Cb 0.59 -1.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3i7l n ASP 137 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7l n GLY 138 N 0.55 1.66 3.19 0.44 0.00 -1.26 -4.77 105.19 105.01 3i7l n GLY 138 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3i7l n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7l s LEU 139 N 0.00 2.25 -0.11 0.99 1.43 -1.16 0.04 118.68 122.13 3i7l s LEU 139 Ca 0.00 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3i7l s LEU 139 Cb 0.00 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.59 3i7l s LEU 139 CO 0.00 -0.01 -0.18 0.12 0.23 0.00 0.00 176.35 176.51 3i7l s PHE 140 N -1.13 2.17 0.14 0.29 5.36 -1.23 -4.59 117.98 118.99 3i7l s PHE 140 Ca 0.01 -0.98 0.03 0.00 -0.96 0.00 0.00 56.93 55.03 3i7l s PHE 140 Cb -0.09 -1.52 -0.04 0.00 -0.34 0.00 0.00 43.02 41.03 3i7l s PHE 140 CO 0.02 -0.46 0.23 0.21 -1.46 0.00 0.00 175.22 173.76 3i7l s LYS 141 N 0.76 3.28 -0.12 10.12 2.20 -0.19 0.08 119.74 135.88 3i7l s LYS 141 Ca -0.11 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 54.81 3i7l s LYS 141 Cb -0.16 -2.88 0.06 0.00 -1.51 0.00 0.00 37.83 33.33 3i7l s LYS 141 CO 0.02 0.52 0.15 0.08 -0.36 0.00 0.00 175.35 175.76 3i7l s VAL 142 N -1.71 -0.23 -0.48 4.02 1.01 0.53 -1.75 120.40 121.79 3i7l s VAL 142 Ca 0.33 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 3i7l s VAL 142 Cb -0.11 -0.40 0.11 0.00 0.00 0.00 0.00 36.38 35.98 3i7l s VAL 142 CO 0.27 0.01 0.38 -0.63 0.00 0.00 0.00 175.10 175.13 3i7l s ILE 143 N 2.26 4.56 0.25 2.22 1.01 -0.65 -2.38 121.20 128.48 3i7l s ILE 143 Ca 0.04 -1.61 -0.30 0.00 0.00 0.00 0.00 60.65 58.78 3i7l s ILE 143 Cb -0.13 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 3i7l s ILE 143 CO -0.07 -0.76 1.38 -2.84 0.00 0.00 0.00 174.94 172.65 3i7l s PRO 144 N 1.45 4.32 -0.62 2.79 0.02 -1.26 -2.04 135.00 139.66 3i7l s PRO 144 Ca 0.05 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.26 3i7l s PRO 144 Cb -0.27 -3.13 0.38 0.00 0.02 0.00 0.00 34.50 31.51 3i7l s PRO 144 CO 0.01 -0.33 2.06 1.28 -0.33 0.00 0.00 177.00 179.69 3i7l n LEU 145 N 2.13 7.44 -4.76 -5.54 4.32 0.32 -4.95 117.00 115.95 3i7l n LEU 145 Ca 0.05 -4.18 -0.40 0.00 -0.02 0.00 0.00 56.01 51.47 3i7l n LEU 145 Cb 0.41 -1.01 -0.06 0.00 -1.62 0.00 0.00 43.42 41.14 3i7l n LEU 145 CO 0.60 1.47 0.52 1.51 -1.22 0.00 0.00 177.39 180.27 3i7l s ASP 146 N -1.32 7.42 0.50 -1.43 1.47 -1.26 -4.91 116.67 117.13 3i7l s ASP 146 Ca 0.57 1.68 0.10 0.00 1.18 0.00 0.00 52.55 56.08 3i7l s ASP 146 Cb 0.45 -2.52 0.53 0.00 -0.34 0.00 0.00 42.92 41.04 3i7l s ASP 146 CO -0.06 0.15 1.21 0.03 0.68 0.00 0.00 175.17 177.18 3i7l h ARG 147 N 4.61 0.00 0.00 2.11 2.47 -2.00 -3.32 114.38 118.25 3i7l h ARG 147 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3i7l h ARG 147 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3i7l h ARG 147 CO 0.68 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.96 3i7l n ASP 148 N -2.29 0.00 -3.80 7.04 8.00 -1.26 -4.74 116.55 119.50 3i7l n ASP 148 Ca -0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 3i7l n ASP 148 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3i7l n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i7l n ASN 149 N 0.00 -4.10 0.25 -2.24 5.15 -1.25 -4.81 115.26 108.26 3i7l n ASN 149 Ca 0.00 -0.70 0.12 0.00 -0.60 0.00 0.00 54.58 53.39 3i7l n ASN 149 Cb 0.00 -3.33 0.63 0.00 -0.53 0.00 0.00 39.78 36.55 3i7l n ASN 149 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3i7l h LYS 150 N -1.54 0.00 -0.00 1.20 1.57 -1.88 0.19 116.57 116.11 3i7l h LYS 150 Ca -0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3i7l h LYS 150 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3i7l h LYS 150 CO 0.66 0.16 -0.06 0.39 -0.57 0.00 0.00 179.45 180.03 3i7l n GLU 151 N -3.55 0.14 -3.26 3.15 1.02 -1.26 -1.49 120.64 115.39 3i7l n GLU 151 Ca -0.01 -0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 56.95 3i7l n GLU 151 Cb 0.31 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.30 3i7l n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i7l n LEU 152 N -1.42 -3.49 -4.74 -4.62 4.77 0.05 -4.12 117.00 103.43 3i7l n LEU 152 Ca 0.09 -0.49 -0.38 0.00 -0.03 0.00 0.00 56.01 55.20 3i7l n LEU 152 Cb 0.31 -2.64 0.05 0.00 -2.33 0.00 0.00 43.42 38.81 3i7l n LEU 152 CO 0.27 0.40 0.96 -0.54 -1.33 0.00 0.00 177.39 177.15 3i7l s LYS 153 N -5.47 2.94 0.06 3.23 3.01 -1.26 -4.91 119.74 117.33 3i7l s LYS 153 Ca 0.18 2.18 0.03 0.00 -1.01 0.00 0.00 55.97 57.35 3i7l s LYS 153 Cb -0.08 -2.12 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 3i7l s LYS 153 CO 0.60 -1.33 -0.09 0.00 0.51 0.00 0.00 175.35 175.04 3i7l s ALA 154 N -1.33 0.79 0.21 5.17 0.00 -1.26 -4.33 121.76 121.01 3i7l s ALA 154 Ca 0.75 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.88 3i7l s ALA 154 Cb -0.40 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 3i7l s ALA 154 CO 0.45 -0.01 -0.05 -0.59 0.00 0.00 0.00 175.76 175.56 3i7l s PHE 155 N -1.73 2.69 0.18 0.00 -0.12 -1.00 -4.95 117.98 113.05 3i7l s PHE 155 Ca -0.04 -0.20 0.04 0.00 -0.05 0.00 0.00 56.93 56.67 3i7l s PHE 155 Cb -0.08 -1.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.01 3i7l s PHE 155 CO 0.00 0.55 0.25 -0.80 -0.05 0.00 0.00 175.22 175.17 3i7l s ASN 156 N -3.13 6.01 -0.35 1.98 -0.87 -1.26 -0.34 114.94 116.98 3i7l s ASN 156 Ca 0.28 0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.58 3i7l s ASN 156 Cb -0.08 -1.71 0.12 0.00 -0.02 0.00 0.00 41.25 39.55 3i7l s ASN 156 CO 0.17 0.02 0.15 -0.63 -2.57 0.00 0.00 177.10 174.25 3i7l s ILE 157 N -1.83 0.91 -0.38 0.60 1.01 0.11 -4.95 121.20 116.67 3i7l s ILE 157 Ca 0.33 -1.75 -0.35 0.00 0.00 0.00 0.00 60.65 58.88 3i7l s ILE 157 Cb -0.10 -1.67 -0.15 0.00 0.01 0.00 0.00 42.46 40.55 3i7l s ILE 157 CO 0.27 -0.78 1.24 -1.14 0.00 0.00 0.00 174.94 174.53 3i7l n ARG 158 N 4.39 0.00 -3.49 2.79 0.63 -1.26 -3.52 116.66 116.20 3i7l n ARG 158 Ca 0.03 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.54 3i7l n ARG 158 Cb 0.39 -1.13 -0.10 0.00 0.45 0.00 0.00 32.46 32.07 3i7l n ARG 158 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 3i7l s LEU 159 N 2.46 4.74 0.52 6.15 2.96 0.11 -4.91 118.68 130.70 3i7l s LEU 159 Ca 0.80 -0.59 0.25 0.00 -0.22 0.00 0.00 54.13 54.38 3i7l s LEU 159 Cb -1.13 -2.17 1.37 0.00 0.50 0.00 0.00 46.19 44.75 3i7l s LEU 159 CO 0.61 -0.33 1.97 -0.08 -1.32 0.00 0.00 176.35 177.20 3i7l h GLU 160 N 8.55 0.05 -4.85 1.98 4.57 -1.89 -3.38 114.58 119.60 3i7l h GLU 160 Ca -0.29 -0.00 -0.69 0.00 -1.18 0.00 0.00 59.36 57.19 3i7l h GLU 160 Cb 1.14 -0.01 -0.19 0.00 -0.16 0.00 0.00 28.75 29.53 3i7l h GLU 160 CO 0.68 0.03 -0.01 -1.21 -1.18 0.00 0.00 179.01 177.32 3i7l s GLU 161 N -5.06 3.10 0.00 1.92 8.01 -1.26 -4.95 118.70 120.46 3i7l s GLU 161 Ca -0.05 -0.97 0.23 0.00 0.01 0.00 0.00 54.97 54.18 3i7l s GLU 161 Cb 0.20 -4.11 1.18 0.00 -4.31 0.00 0.00 34.13 27.10 3i7l s GLU 161 CO 0.74 -1.20 1.79 1.47 0.01 0.00 0.00 175.26 178.07 3i7l n LEU 162 N 6.02 0.59 -3.43 1.80 -0.00 -1.26 -4.42 117.00 116.30 3i7l n LEU 162 Ca -0.08 -0.23 -0.26 0.00 -0.00 0.00 0.00 56.01 55.44 3i7l n LEU 162 Cb 0.45 -0.03 -0.09 0.00 -0.00 0.00 0.00 43.42 43.76 3i7l n LEU 162 CO 0.53 0.12 -0.16 1.57 -0.00 0.00 0.00 177.39 179.45 3i7l n HIS 163 N -0.45 1.22 -2.78 1.47 -0.00 -1.26 -4.39 115.22 109.04 3i7l n HIS 163 Ca 0.17 -3.80 -0.41 0.00 -0.00 0.00 0.00 57.72 53.68 3i7l n HIS 163 Cb 0.17 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.99 29.81 3i7l n HIS 163 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3i7l s VAL 164 N -1.28 4.73 -0.13 3.57 1.01 -1.26 -1.79 120.40 125.24 3i7l s VAL 164 Ca 0.34 1.96 -0.17 0.00 0.00 0.00 0.00 61.98 64.11 3i7l s VAL 164 Cb 0.09 -4.27 -0.15 0.00 0.00 0.00 0.00 36.38 32.05 3i7l s VAL 164 CO -0.12 0.25 0.39 0.40 0.00 0.00 0.00 175.10 176.03 3i7l h ILE 165 N 4.42 0.98 -2.82 2.22 5.03 -1.55 -3.47 117.51 122.32 3i7l h ILE 165 Ca -0.42 -1.78 -0.08 0.00 -0.12 0.00 0.00 64.86 62.46 3i7l h ILE 165 Cb 1.21 1.90 -0.18 0.00 -3.03 0.00 0.00 36.82 36.72 3i7l h ILE 165 CO 0.73 0.33 -0.08 -0.62 -0.68 0.00 0.00 178.15 177.84 3i7l s ASP 166 N -6.01 -0.34 0.01 1.72 2.15 -1.23 -4.96 116.67 108.01 3i7l s ASP 166 Ca -0.13 0.17 -0.01 0.00 0.43 0.00 0.00 52.55 53.01 3i7l s ASP 166 Cb -0.01 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 43.03 3i7l s ASP 166 CO 0.41 -0.61 0.01 -0.69 -0.17 0.00 0.00 175.17 174.12 3i7l s VAL 167 N -1.95 0.07 0.03 1.11 1.01 -1.26 -2.13 120.40 117.27 3i7l s VAL 167 Ca -0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3i7l s VAL 167 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 3i7l s VAL 167 CO 0.02 -0.31 -0.00 -0.54 0.00 0.00 0.00 175.10 174.27 3i7l s LYS 168 N -0.92 0.44 0.15 2.72 -0.14 0.09 -4.95 119.74 117.13 3i7l s LYS 168 Ca -0.10 -0.78 -0.30 0.00 -1.36 0.00 0.00 55.97 53.42 3i7l s LYS 168 Cb -0.06 0.16 -0.07 0.00 -1.68 0.00 0.00 37.83 36.18 3i7l s LYS 168 CO -0.00 -0.08 1.07 -0.06 -0.76 0.00 0.00 175.35 175.51 3i7l s PHE 169 N -2.29 3.64 0.18 3.18 0.40 -1.26 -0.15 117.98 121.67 3i7l s PHE 169 Ca -0.08 1.63 -0.30 0.00 -0.60 0.00 0.00 56.93 57.58 3i7l s PHE 169 Cb -0.04 -3.22 -0.07 0.00 0.51 0.00 0.00 43.02 40.19 3i7l s PHE 169 CO -0.04 -0.43 0.99 -0.51 0.70 0.00 0.00 175.22 175.93 3i7l s LEU 170 N -0.18 4.55 0.83 -0.37 2.01 0.70 -4.81 118.68 121.41 3i7l s LEU 170 Ca 0.49 1.93 -0.12 0.00 0.01 0.00 0.00 54.13 56.45 3i7l s LEU 170 Cb -0.28 -3.60 0.09 0.00 0.01 0.00 0.00 46.19 42.41 3i7l s LEU 170 CO 0.33 -0.03 1.11 -0.31 1.01 0.00 0.00 176.35 178.46 3i7l s TYR 171 N -0.50 2.71 -1.33 0.29 1.51 -1.26 -4.38 117.35 114.39 3i7l s TYR 171 Ca 0.45 1.09 -0.01 0.00 -1.01 0.00 0.00 57.07 57.59 3i7l s TYR 171 Cb -0.26 -3.19 0.01 0.00 -0.11 0.00 0.00 41.96 38.41 3i7l s TYR 171 CO 0.32 -1.97 0.69 0.41 -1.11 0.00 0.00 175.55 173.89 3i7l n GLY 172 N -2.05 -0.29 3.15 0.71 0.00 -1.26 -4.86 105.19 100.60 3i7l n GLY 172 Ca 0.07 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3i7l n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7l h GLN 174 N 5.77 -0.16 -5.84 0.00 1.08 -1.95 -3.43 115.11 110.58 3i7l h GLN 174 Ca -0.36 0.01 -0.64 0.00 -1.45 0.00 0.00 58.65 56.21 3i7l h GLN 174 Cb 1.15 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.56 3i7l h GLN 174 CO 0.48 0.32 -0.50 0.00 -0.95 0.00 0.00 178.83 178.18 3i7l s ALA 175 N -3.66 3.92 -0.40 3.87 0.00 -1.26 -5.04 121.76 119.19 3i7l s ALA 175 Ca -0.14 -0.79 -0.37 0.00 0.00 0.00 0.00 51.96 50.67 3i7l s ALA 175 Cb 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 23.12 21.13 3i7l s ALA 175 CO 0.52 0.75 1.41 -2.30 0.00 0.00 0.00 175.76 176.15 3i7l n PRO 176 N 0.89 0.00 -4.56 0.00 -0.02 -1.26 -4.78 135.00 125.26 3i7l n PRO 176 Ca -0.10 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.14 3i7l n PRO 176 Cb 0.52 -1.19 -0.16 0.00 -0.02 0.00 0.00 33.50 32.65 3i7l n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i7l s THR 177 N 3.17 1.06 0.41 3.45 2.01 -1.26 0.17 115.64 124.65 3i7l s THR 177 Ca 0.88 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 3i7l s THR 177 Cb -1.19 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 3i7l s THR 177 CO 0.61 0.33 0.65 -0.63 -0.69 0.00 0.00 174.62 174.88 3i7l s ILE 178 N 0.37 4.72 -0.16 1.82 1.01 -0.41 -0.22 121.20 128.34 3i7l s ILE 178 Ca -0.08 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 3i7l s ILE 178 Cb -0.12 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.66 3i7l s ILE 178 CO 0.02 -0.56 0.36 0.00 0.00 0.00 0.00 174.94 174.76 3i7l s PHE 180 N 1.68 -0.48 -0.13 0.00 -0.12 -1.15 -0.73 117.98 117.04 3i7l s PHE 180 Ca -0.07 0.88 -0.08 0.00 -0.05 0.00 0.00 56.93 57.62 3i7l s PHE 180 Cb -0.10 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 3i7l s PHE 180 CO -0.12 -0.48 0.15 0.08 -0.05 0.00 0.00 175.22 174.80 3i7l s VAL 181 N -1.01 5.49 0.11 -2.49 1.01 -0.91 -2.22 120.40 120.38 3i7l s VAL 181 Ca -0.10 0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3i7l s VAL 181 Cb -0.02 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3i7l s VAL 181 CO 0.07 0.60 -0.04 -0.72 0.00 0.00 0.00 175.10 175.01 3i7l s TYR 182 N -0.85 0.90 -0.04 5.22 -0.85 -0.70 -1.29 117.35 119.74 3i7l s TYR 182 Ca 0.14 -0.99 0.07 0.00 -0.52 0.00 0.00 57.07 55.77 3i7l s TYR 182 Cb -0.12 -0.53 -0.01 0.00 0.38 0.00 0.00 41.96 41.68 3i7l s TYR 182 CO 0.03 -0.23 -0.25 -1.14 -1.52 0.00 0.00 175.55 172.44 3i7l s GLN 183 N -3.88 2.37 0.00 -3.49 0.74 -0.74 -1.71 119.66 112.95 3i7l s GLN 183 Ca 0.15 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.65 3i7l s GLN 183 Cb 0.06 -2.12 0.00 0.00 1.10 0.00 0.00 33.01 32.05 3i7l s GLN 183 CO -0.03 0.46 0.00 -0.40 -0.55 0.00 0.00 175.29 174.77 3i7l n ASP 184 N 2.73 0.31 -4.80 6.67 5.68 -1.03 -4.40 116.55 121.71 3i7l n ASP 184 Ca -0.17 -0.42 -0.34 0.00 -0.50 0.00 0.00 54.79 53.36 3i7l n ASP 184 Cb 0.52 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 3i7l n ASP 184 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 3i7l s PRO 185 N -0.27 3.79 0.00 0.11 0.02 -1.26 -3.35 135.00 134.04 3i7l s PRO 185 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.33 3i7l s PRO 185 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3i7l s PRO 185 CO 0.00 -0.43 0.00 1.04 -0.33 0.00 0.00 177.00 177.28 3i7l n GLN 186 N -1.06 0.00 0.00 5.54 3.00 -1.26 -4.97 117.38 118.62 3i7l n GLN 186 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 3i7l n GLN 186 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 30.24 30.66 3i7l n GLN 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i7l n GLY 187 N -2.00 0.23 3.49 1.08 0.00 -1.21 -5.04 105.19 101.75 3i7l n GLY 187 Ca 0.00 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 3i7l n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7l s ARG 188 N 0.00 1.78 0.26 1.61 0.52 -1.26 -2.45 118.95 119.41 3i7l s ARG 188 Ca 0.00 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 3i7l s ARG 188 Cb 0.00 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.41 3i7l s ARG 188 CO 0.00 0.44 0.25 -1.01 0.02 0.00 0.00 175.30 175.00 3i7l s HIS 189 N -1.51 1.19 -0.01 -0.53 3.76 -0.69 -1.10 115.29 116.40 3i7l s HIS 189 Ca 0.21 -1.35 0.07 0.00 -0.15 0.00 0.00 55.06 53.84 3i7l s HIS 189 Cb -0.09 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 3i7l s HIS 189 CO 0.12 -0.80 -0.22 0.14 -0.85 0.00 0.00 174.74 173.12 3i7l s VAL 190 N -3.83 1.73 0.11 -0.90 -7.23 -0.47 -1.71 120.40 108.10 3i7l s VAL 190 Ca 0.36 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3i7l s VAL 190 Cb 0.04 -1.44 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 3i7l s VAL 190 CO 0.16 0.46 -0.06 -0.75 -0.31 0.00 0.00 175.10 174.61 3i7l s LYS 191 N -0.59 0.89 0.02 4.82 2.20 -0.94 -3.02 119.74 123.11 3i7l s LYS 191 Ca 0.08 -1.37 0.03 0.00 -0.36 0.00 0.00 55.97 54.36 3i7l s LYS 191 Cb -0.08 -0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 35.98 3i7l s LYS 191 CO -0.01 -0.03 -0.10 0.95 -0.36 0.00 0.00 175.35 175.80 3i7l s THR 192 N -3.61 0.79 0.04 3.43 -4.23 -1.26 -2.95 115.64 107.85 3i7l s THR 192 Ca 0.14 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 3i7l s THR 192 Cb 0.05 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.15 3i7l s THR 192 CO -0.03 0.02 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.67 3i7l s TYR 193 N -0.64 0.77 0.25 3.99 4.12 -1.24 -2.39 117.35 122.20 3i7l s TYR 193 Ca 0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 57.07 56.56 3i7l s TYR 193 Cb -0.06 -0.45 -0.07 0.00 -1.52 0.00 0.00 41.96 39.85 3i7l s TYR 193 CO 0.00 -0.05 0.58 -1.21 0.02 0.00 0.00 175.55 174.90 3i7l s GLU 194 N -1.38 3.82 -0.27 -0.62 2.02 -0.09 -1.29 118.70 120.89 3i7l s GLU 194 Ca -0.06 0.32 -0.05 0.00 0.02 0.00 0.00 54.97 55.19 3i7l s GLU 194 Cb -0.09 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.54 3i7l s GLU 194 CO 0.01 0.28 0.03 0.08 0.02 0.00 0.00 175.26 175.68 3i7l s VAL 195 N -1.87 3.67 -0.24 2.63 1.01 0.44 -2.36 120.40 123.69 3i7l s VAL 195 Ca 0.48 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3i7l s VAL 195 Cb -0.11 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3i7l s VAL 195 CO 0.21 0.19 0.06 -0.55 0.00 0.00 0.00 175.10 175.02 3i7l s SER 196 N 1.47 5.18 0.10 3.32 0.15 -1.23 -4.27 113.70 118.41 3i7l s SER 196 Ca 0.03 -0.17 0.22 0.00 0.70 0.00 0.00 55.95 56.73 3i7l s SER 196 Cb -0.16 -1.92 -0.15 0.00 -1.71 0.00 0.00 66.02 62.08 3i7l s SER 196 CO 0.00 -0.00 0.79 0.00 1.20 0.00 0.00 173.24 175.23 3i7l n LEU 197 N 4.70 0.50 -0.25 3.45 -0.00 -1.26 -0.78 117.00 123.37 3i7l n LEU 197 Ca -0.16 0.20 -0.06 0.00 -0.00 0.00 0.00 56.01 55.99 3i7l n LEU 197 Cb 0.52 -0.02 0.05 0.00 -0.00 0.00 0.00 43.42 43.96 3i7l n LEU 197 CO 0.31 -0.09 1.10 -0.09 -0.00 0.00 0.00 177.39 178.63 3i7l h ARG 198 N 0.00 0.95 0.01 1.47 9.65 -1.98 -3.31 114.38 121.16 3i7l h ARG 198 Ca -0.02 -0.10 -0.28 0.00 -1.10 0.00 0.00 59.98 58.48 3i7l h ARG 198 Cb 1.05 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 29.40 3i7l h ARG 198 CO 0.00 0.70 -1.57 0.93 2.80 0.00 0.00 179.97 182.83 3i7l h GLU 199 N 0.93 0.02 -2.56 0.20 4.39 -1.98 -3.47 114.58 112.11 3i7l h GLU 199 Ca 0.24 -0.04 -0.41 0.00 0.34 0.00 0.00 59.36 59.49 3i7l h GLU 199 Cb 0.02 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3i7l h GLU 199 CO -0.04 0.65 -0.49 1.63 -1.16 0.00 0.00 179.01 179.60 3i7l n LYS 200 N -3.14 -1.65 -4.11 2.33 5.02 0.04 -4.99 118.16 111.66 3i7l n LYS 200 Ca -0.14 1.05 -0.25 0.00 -2.02 0.00 0.00 58.31 56.95 3i7l n LYS 200 Cb 1.03 -5.65 -0.06 0.00 -0.02 0.00 0.00 35.03 30.33 3i7l n LYS 200 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3i7l s GLU 201 N -4.74 2.24 -0.18 1.97 2.02 -1.20 -4.83 118.70 113.98 3i7l s GLU 201 Ca 0.00 -1.89 0.01 0.00 0.02 0.00 0.00 54.97 53.11 3i7l s GLU 201 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.26 3i7l s GLU 201 CO 0.00 -0.20 -0.19 -0.06 0.02 0.00 0.00 175.26 174.83 3i7l s PHE 202 N -2.63 2.80 0.18 1.61 2.99 -1.26 -3.56 117.98 118.10 3i7l s PHE 202 Ca 0.38 -1.61 0.07 0.00 0.00 0.00 0.00 56.93 55.77 3i7l s PHE 202 Cb 0.03 -1.93 -0.04 0.00 0.00 0.00 0.00 43.02 41.07 3i7l s PHE 202 CO 0.21 -0.79 0.00 -0.80 -0.00 0.00 0.00 175.22 173.84 3i7l s ASN 203 N 1.30 4.77 0.13 1.36 0.01 -1.00 -4.93 114.94 116.58 3i7l s ASN 203 Ca 0.05 -0.41 -0.34 0.00 -0.71 0.00 0.00 52.86 51.44 3i7l s ASN 203 Cb -0.13 -1.01 -0.17 0.00 0.41 0.00 0.00 41.25 40.35 3i7l s ASN 203 CO -0.12 0.08 1.10 1.17 -1.51 0.00 0.00 177.10 177.81 3i7l n LYS 204 N -0.21 0.81 -1.71 -0.60 4.81 -1.26 -0.91 118.16 119.09 3i7l n LYS 204 Ca -0.09 0.29 -0.26 0.00 -0.87 0.00 0.00 58.31 57.38 3i7l n LYS 204 Cb 0.56 -1.75 0.18 0.00 0.02 0.00 0.00 35.03 34.03 3i7l n LYS 204 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i7l n GLY 205 N 1.98 -1.36 0.03 3.14 0.00 -1.01 -4.10 105.19 103.88 3i7l n GLY 205 Ca 0.17 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.60 3i7l n GLY 205 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i7l n PRO 206 N -3.44 0.10 -3.76 1.61 -0.05 -1.26 -4.86 135.00 123.33 3i7l n PRO 206 Ca 0.15 0.06 -0.13 0.00 -0.05 0.00 0.00 63.50 63.53 3i7l n PRO 206 Cb 0.51 -1.60 -0.11 0.00 -0.05 0.00 0.00 33.50 32.26 3i7l n PRO 206 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 3i7l s TRP 207 N -3.05 -0.34 0.52 0.54 -2.14 -1.26 -4.92 118.94 108.29 3i7l s TRP 207 Ca 0.11 0.81 -0.21 0.00 2.66 0.00 0.00 56.10 59.47 3i7l s TRP 207 Cb 0.16 0.12 -0.07 0.00 -3.10 0.00 0.00 33.47 30.58 3i7l s TRP 207 CO 0.61 -0.19 1.02 1.63 -2.66 0.00 0.00 176.95 177.36 3i7l n LYS 208 N 2.78 1.20 -2.18 3.25 4.76 -1.26 -4.49 118.16 122.21 3i7l n LYS 208 Ca -0.14 0.44 -0.42 0.00 -2.87 0.00 0.00 58.31 55.33 3i7l n LYS 208 Cb 0.58 -2.16 -0.03 0.00 -1.84 0.00 0.00 35.03 31.58 3i7l n LYS 208 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3i7l s GLN 209 N -2.42 4.29 0.31 1.97 0.74 -1.26 -4.97 119.66 118.31 3i7l s GLN 209 Ca 0.69 2.03 0.08 0.00 0.05 0.00 0.00 55.36 58.21 3i7l s GLN 209 Cb -0.47 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.12 3i7l s GLN 209 CO 0.52 -0.55 0.20 -1.21 -0.55 0.00 0.00 175.29 173.71 3i7l s GLU 210 N 2.04 2.64 0.18 1.67 0.41 -1.17 -4.97 118.70 119.50 3i7l s GLU 210 Ca 0.65 -1.31 -0.16 0.00 -0.41 0.00 0.00 54.97 53.73 3i7l s GLU 210 Cb -0.34 -2.39 -0.07 0.00 -1.78 0.00 0.00 34.13 29.55 3i7l s GLU 210 CO 0.28 0.20 0.62 -0.80 -0.49 0.00 0.00 175.26 175.07 3i7l s ASN 211 N -3.89 6.91 0.45 -0.19 0.02 -1.26 -1.36 114.94 115.62 3i7l s ASN 211 Ca 0.37 1.21 0.03 0.00 -1.02 0.00 0.00 52.86 53.46 3i7l s ASN 211 Cb -0.05 -2.34 -0.01 0.00 0.02 0.00 0.00 41.25 38.86 3i7l s ASN 211 CO 0.25 0.07 0.12 0.68 0.02 0.00 0.00 177.10 178.24 3i7l s VAL 212 N -1.49 0.60 0.46 1.60 -7.23 -0.25 -4.87 120.40 109.21 3i7l s VAL 212 Ca 0.40 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.32 3i7l s VAL 212 Cb -0.16 -2.21 -0.08 0.00 0.56 0.00 0.00 36.38 34.49 3i7l s VAL 212 CO 0.20 0.00 1.34 -0.70 -0.31 0.00 0.00 175.10 175.63 3i7l s GLU 213 N -3.70 3.67 0.58 4.82 2.12 -1.26 -4.25 118.70 120.68 3i7l s GLU 213 Ca 0.17 2.22 0.34 0.00 0.36 0.00 0.00 54.97 58.06 3i7l s GLU 213 Cb 0.01 -2.57 1.38 0.00 0.26 0.00 0.00 34.13 33.20 3i7l s GLU 213 CO 0.12 -0.76 1.64 0.00 -0.54 0.00 0.00 175.26 175.72 3i7l h ALA 214 N 2.22 2.95 -0.15 6.30 0.00 -1.96 -0.03 119.26 128.58 3i7l h ALA 214 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3i7l h ALA 214 Cb 1.26 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i7l h ALA 214 CO 0.61 -1.51 0.00 0.39 0.00 0.00 0.00 179.25 178.74 3i7l n GLU 215 N -3.73 2.83 -1.67 0.00 -0.58 -1.26 -4.85 120.64 111.38 3i7l n GLU 215 Ca 0.23 -1.72 -0.45 0.00 -0.42 0.00 0.00 57.16 54.80 3i7l n GLU 215 Cb 1.30 -1.12 -0.04 0.00 -0.57 0.00 0.00 31.44 31.01 3i7l n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7l n ALA 216 N -0.03 1.40 -0.59 0.62 0.00 -0.03 -3.74 120.51 118.14 3i7l n ALA 216 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i7l n ALA 216 Cb 0.32 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3i7l n ALA 216 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i7l n SER 217 N 3.03 0.00 -4.11 0.00 3.41 0.20 -4.91 113.62 111.24 3i7l n SER 217 Ca 0.15 -0.36 -0.25 0.00 -0.26 0.00 0.00 58.87 58.16 3i7l n SER 217 Cb 0.30 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.09 3i7l n SER 217 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3i7l s MET 218 N 0.00 1.55 -0.17 4.33 1.75 -0.88 -4.55 119.30 121.33 3i7l s MET 218 Ca 0.00 -0.54 0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3i7l s MET 218 Cb 0.00 -1.38 0.03 0.00 2.84 0.00 0.00 34.83 36.32 3i7l s MET 218 CO 0.00 0.23 -0.13 0.08 -0.65 0.00 0.00 175.02 174.55 3i7l s VAL 219 N 0.01 1.61 -0.14 10.11 1.01 -1.26 -1.62 120.40 130.12 3i7l s VAL 219 Ca -0.02 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3i7l s VAL 219 Cb -0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3i7l s VAL 219 CO 0.01 0.35 -0.01 -0.63 0.00 0.00 0.00 175.10 174.82 3i7l s ILE 220 N 1.45 4.14 -0.31 2.22 1.01 -0.56 -4.77 121.20 124.38 3i7l s ILE 220 Ca 0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 3i7l s ILE 220 Cb -0.14 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 3i7l s ILE 220 CO -0.10 0.52 0.23 0.00 0.00 0.00 0.00 174.94 175.59 3i7l s ALA 221 N 0.02 3.52 0.06 9.38 0.00 -1.26 -0.67 121.76 132.81 3i7l s ALA 221 Ca 0.02 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.52 3i7l s ALA 221 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 3i7l s ALA 221 CO 0.02 -0.75 0.83 0.08 0.00 0.00 0.00 175.76 175.95 3i7l s VAL 222 N 1.78 4.68 1.16 0.00 1.01 -0.22 -4.87 120.40 123.93 3i7l s VAL 222 Ca 0.07 1.77 -0.14 0.00 0.00 0.00 0.00 61.98 63.68 3i7l s VAL 222 Cb -0.17 -4.18 0.24 0.00 0.00 0.00 0.00 36.38 32.27 3i7l s VAL 222 CO 0.11 0.34 0.74 -2.65 0.00 0.00 0.00 175.10 173.64 3i7l n PRO 223 N 2.87 -2.20 -0.31 2.72 -0.02 -1.26 -3.26 135.00 133.54 3i7l n PRO 223 Ca -0.01 -0.61 0.12 0.00 -2.02 0.00 0.00 63.50 60.98 3i7l n PRO 223 Cb 0.50 -2.04 0.29 0.00 -0.02 0.00 0.00 33.50 32.23 3i7l n PRO 223 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3i7l h GLU 224 N -2.51 0.44 -0.58 -0.52 4.81 -1.90 0.26 114.58 114.59 3i7l h GLU 224 Ca -0.59 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.73 3i7l h GLU 224 Cb 1.34 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 30.51 3i7l h GLU 224 CO 0.46 0.29 -0.19 -1.35 -0.73 0.00 0.00 179.01 177.49 3i7l h PRO 225 N 0.46 -0.05 0.00 0.92 0.11 -1.91 -3.25 132.00 128.28 3i7l h PRO 225 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3i7l h PRO 225 Cb 0.99 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i7l h PRO 225 CO -0.49 -0.03 -0.51 1.19 -0.21 0.00 0.00 178.00 177.95 3i7l n PHE 226 N -5.42 0.85 -2.83 0.65 3.01 -1.05 -4.65 117.46 108.01 3i7l n PHE 226 Ca 0.06 0.37 -0.07 0.00 1.01 0.00 0.00 57.45 58.82 3i7l n PHE 226 Cb 0.32 -0.74 0.01 0.00 -0.01 0.00 0.00 39.48 39.07 3i7l n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i7l n GLY 227 N 1.61 -1.71 0.00 1.37 0.00 0.90 -5.02 105.19 102.34 3i7l n GLY 227 Ca -0.07 1.17 0.00 0.00 0.00 0.00 0.00 46.02 47.11 3i7l n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7l n GLY 228 N -0.17 4.56 2.81 -0.02 0.00 -1.22 -4.93 105.19 106.22 3i7l n GLY 228 Ca 0.10 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.31 3i7l n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7l s ALA 229 N -1.49 -0.09 0.24 4.61 0.00 -0.74 -1.06 121.76 123.23 3i7l s ALA 229 Ca 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.34 3i7l s ALA 229 Cb 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 23.12 22.33 3i7l s ALA 229 CO 0.00 -0.48 0.60 0.42 0.00 0.00 0.00 175.76 176.30 3i7l s ILE 230 N 2.09 4.85 -0.21 0.00 1.01 0.16 -1.62 121.20 127.47 3i7l s ILE 230 Ca 0.01 0.65 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 3i7l s ILE 230 Cb -0.12 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.78 3i7l s ILE 230 CO -0.05 -0.06 0.01 -0.63 0.00 0.00 0.00 174.94 174.21 3i7l s ILE 231 N -1.81 0.82 -0.16 2.92 1.01 -0.16 -1.50 121.20 122.32 3i7l s ILE 231 Ca 0.48 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3i7l s ILE 231 Cb -0.11 -1.27 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 3i7l s ILE 231 CO 0.20 -0.18 0.19 -0.63 0.00 0.00 0.00 174.94 174.52 3i7l s ILE 232 N 1.72 5.38 0.23 2.92 1.09 -0.64 -2.71 121.20 129.19 3i7l s ILE 232 Ca -0.02 0.33 -0.08 0.00 -1.10 0.00 0.00 60.65 59.78 3i7l s ILE 232 Cb -0.18 -3.52 -0.02 0.00 -1.06 0.00 0.00 42.46 37.69 3i7l s ILE 232 CO -0.08 0.47 0.33 -0.83 -0.10 0.00 0.00 174.94 174.73 3i7l s GLY 233 N 0.03 0.91 0.36 6.18 0.00 -0.83 0.62 107.32 114.60 3i7l s GLY 233 Ca 0.13 -1.22 -0.26 0.00 0.00 0.00 0.00 44.72 43.37 3i7l s GLY 233 CO 0.02 -0.95 0.95 -1.06 0.00 0.00 0.00 173.10 172.05 3i7l n GLN 234 N -0.33 1.25 0.00 2.90 1.13 -1.25 -2.67 117.38 118.41 3i7l n GLN 234 Ca -0.00 0.44 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 3i7l n GLN 234 Cb 0.64 -1.88 0.00 0.00 0.11 0.00 0.00 30.24 29.11 3i7l n GLN 234 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3i7l n GLU 235 N 0.47 0.00 -4.06 -1.09 2.13 -1.26 -4.87 120.64 111.97 3i7l n GLU 235 Ca 0.10 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.78 3i7l n GLU 235 Cb 0.36 -1.64 -0.13 0.00 0.27 0.00 0.00 31.44 30.30 3i7l n GLU 235 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3i7l s SER 236 N -0.53 0.51 -0.01 4.31 0.15 -1.09 -4.37 113.70 112.67 3i7l s SER 236 Ca 0.00 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.42 3i7l s SER 236 Cb 0.00 -0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 3i7l s SER 236 CO 0.00 -0.06 -0.03 -0.63 1.20 0.00 0.00 173.24 173.72 3i7l s ILE 237 N -0.59 0.28 -0.14 6.45 1.01 -0.83 -1.96 121.20 125.42 3i7l s ILE 237 Ca -0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.40 3i7l s ILE 237 Cb -0.05 -0.27 0.04 0.00 0.01 0.00 0.00 42.46 42.19 3i7l s ILE 237 CO -0.00 0.11 0.37 0.42 0.00 0.00 0.00 174.94 175.83 3i7l s THR 238 N 0.24 -0.01 -0.10 2.92 -4.23 -1.10 -2.12 115.64 111.23 3i7l s THR 238 Ca -0.02 0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 3i7l s THR 238 Cb -0.05 -0.52 -0.05 0.00 1.34 0.00 0.00 72.50 73.22 3i7l s THR 238 CO -0.00 0.01 0.25 -0.47 -0.54 0.00 0.00 174.62 173.87 3i7l s TYR 239 N 0.51 3.58 0.08 3.99 5.04 -0.23 -0.99 117.35 129.33 3i7l s TYR 239 Ca -0.03 0.66 0.08 0.00 -2.44 0.00 0.00 57.07 55.34 3i7l s TYR 239 Cb -0.04 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.07 3i7l s TYR 239 CO -0.03 0.54 -0.21 -1.01 -1.34 0.00 0.00 175.55 173.50 3i7l s HIS 240 N -0.52 1.84 -0.25 4.97 3.76 -0.64 -1.01 115.29 123.43 3i7l s HIS 240 Ca 0.17 -0.40 -0.27 0.00 -0.15 0.00 0.00 55.06 54.41 3i7l s HIS 240 Cb -0.13 -1.04 0.15 0.00 1.11 0.00 0.00 32.58 32.67 3i7l s HIS 240 CO 0.06 0.17 1.18 1.21 -0.85 0.00 0.00 174.74 176.51 3i7l s ASN 241 N -1.66 -0.26 0.00 1.40 3.84 -1.04 -1.80 114.94 115.43 3i7l s ASN 241 Ca 0.07 0.40 0.00 0.00 0.21 0.00 0.00 52.86 53.54 3i7l s ASN 241 Cb -0.10 0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.97 3i7l s ASN 241 CO 0.03 -0.15 0.00 0.61 -2.79 0.00 0.00 177.10 174.80 3i7l n GLY 242 N 1.31 0.13 0.06 1.21 0.00 -1.26 0.15 105.19 106.79 3i7l n GLY 242 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3i7l n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i7l n ASP 243 N 0.46 1.74 -4.79 1.61 9.92 -1.26 -4.66 116.55 119.57 3i7l n ASP 243 Ca 0.00 -1.66 -0.35 0.00 -0.53 0.00 0.00 54.79 52.25 3i7l n ASP 243 Cb 0.00 -0.02 -0.04 0.00 -0.64 0.00 0.00 41.12 40.43 3i7l n ASP 243 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3i7l s LYS 244 N -0.68 3.91 -0.19 -1.24 1.02 0.39 -5.08 119.74 117.87 3i7l s LYS 244 Ca 0.02 1.39 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 3i7l s LYS 244 Cb 0.01 -2.21 0.06 0.00 -0.52 0.00 0.00 37.83 35.18 3i7l s LYS 244 CO 0.02 -0.35 0.47 -0.47 -0.92 0.00 0.00 175.35 174.10 3i7l s TYR 245 N -1.91 -0.69 0.01 3.18 5.04 -1.26 -2.48 117.35 119.24 3i7l s TYR 245 Ca 0.65 1.46 0.01 0.00 -2.44 0.00 0.00 57.07 56.74 3i7l s TYR 245 Cb -0.17 0.33 -0.01 0.00 0.35 0.00 0.00 41.96 42.46 3i7l s TYR 245 CO 0.22 -0.37 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.51 3i7l s LEU 246 N 1.37 2.10 -0.27 6.97 1.43 -0.18 -4.97 118.68 125.12 3i7l s LEU 246 Ca -0.09 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3i7l s LEU 246 Cb -0.07 -0.04 0.16 0.00 0.03 0.00 0.00 46.19 46.27 3i7l s LEU 246 CO -0.13 -0.10 0.45 0.00 0.23 0.00 0.00 176.35 176.80 3i7l s ALA 247 N -0.61 -1.47 0.15 4.21 0.00 -1.26 -1.07 121.76 121.70 3i7l s ALA 247 Ca -0.05 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.89 3i7l s ALA 247 Cb -0.04 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 3i7l s ALA 247 CO -0.00 -1.44 0.26 0.96 0.00 0.00 0.00 175.76 175.54 3i7l s ILE 248 N 2.63 5.21 -0.38 0.00 -4.36 -0.90 -5.00 121.20 118.39 3i7l s ILE 248 Ca 0.14 -0.73 0.09 0.00 -0.26 0.00 0.00 60.65 59.89 3i7l s ILE 248 Cb -0.14 -3.67 0.29 0.00 1.25 0.00 0.00 42.46 40.18 3i7l s ILE 248 CO -0.21 -0.08 0.60 0.00 0.24 0.00 0.00 174.94 175.48 3i7l n ALA 249 N -0.47 2.27 -1.86 2.27 0.00 -1.26 -1.96 120.51 119.50 3i7l n ALA 249 Ca -0.07 -3.40 -0.41 0.00 0.00 0.00 0.00 53.44 49.56 3i7l n ALA 249 Cb 0.54 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 3i7l n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i7l s PRO 250 N -1.64 4.42 0.00 0.00 0.04 -1.26 -4.84 135.00 131.72 3i7l s PRO 250 Ca 0.37 2.09 0.26 0.00 0.04 0.00 0.00 61.00 63.76 3i7l s PRO 250 Cb 0.24 -3.14 1.37 0.00 0.04 0.00 0.00 34.50 33.01 3i7l s PRO 250 CO -0.10 -0.15 1.90 -0.35 0.04 0.00 0.00 177.00 178.34 3i7l n PRO 251 N 1.60 0.45 -0.12 0.56 -0.05 -1.26 -2.30 135.00 133.87 3i7l n PRO 251 Ca 0.02 0.03 -0.12 0.00 -0.05 0.00 0.00 63.50 63.39 3i7l n PRO 251 Cb 0.43 -1.50 -0.02 0.00 -0.05 0.00 0.00 33.50 32.35 3i7l n PRO 251 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 175.50 176.27 3i7l h ILE 252 N 0.00 1.28 -0.14 0.52 2.04 -1.98 -3.12 117.51 116.11 3i7l h ILE 252 Ca 0.00 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.60 3i7l h ILE 252 Cb 0.21 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3i7l h ILE 252 CO 0.00 0.42 0.00 2.30 0.00 0.00 0.00 178.15 180.87 3i7l n ILE 253 N -4.32 0.43 -0.03 -0.67 -6.64 -0.97 -3.52 119.36 103.64 3i7l n ILE 253 Ca -0.02 -0.26 -0.11 0.00 -1.77 0.00 0.00 62.75 60.59 3i7l n ILE 253 Cb 0.39 -0.21 -0.14 0.00 -1.44 0.00 0.00 39.64 38.23 3i7l n ILE 253 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 3i7l n LYS 254 N 0.06 0.66 0.16 6.28 4.81 -1.18 -4.03 118.16 124.92 3i7l n LYS 254 Ca 0.06 0.26 0.19 0.00 -0.87 0.00 0.00 58.31 57.95 3i7l n LYS 254 Cb 0.32 -1.75 0.76 0.00 0.02 0.00 0.00 35.03 34.38 3i7l n LYS 254 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3i7l h GLN 255 N 0.01 0.00 -1.85 1.64 4.20 -1.75 -3.44 115.11 113.92 3i7l h GLN 255 Ca -0.34 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 3i7l h GLN 255 Cb 2.04 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 29.61 3i7l h GLN 255 CO 0.07 0.00 0.30 0.45 -0.67 0.00 0.00 178.83 178.98 3i7l s SER 256 N -5.10 -0.58 0.14 1.46 0.15 -1.26 -5.05 113.70 103.47 3i7l s SER 256 Ca -0.04 0.76 -0.30 0.00 0.70 0.00 0.00 55.95 57.07 3i7l s SER 256 Cb 0.14 0.65 -0.07 0.00 -1.71 0.00 0.00 66.02 65.03 3i7l s SER 256 CO 0.48 -0.44 1.13 -0.89 1.20 0.00 0.00 173.24 174.72 3i7l s THR 257 N -0.80 3.92 0.02 6.45 2.01 -1.26 -4.74 115.64 121.24 3i7l s THR 257 Ca -0.06 1.56 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 3i7l s THR 257 Cb -0.01 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 3i7l s THR 257 CO 0.05 0.22 1.11 -0.63 -0.69 0.00 0.00 174.62 174.69 3i7l s ILE 258 N 0.15 4.39 -0.00 1.82 1.01 -1.26 -0.68 121.20 126.63 3i7l s ILE 258 Ca 0.52 1.71 0.01 0.00 0.00 0.00 0.00 60.65 62.89 3i7l s ILE 258 Cb -0.29 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3i7l s ILE 258 CO 0.33 0.12 0.01 1.33 0.00 0.00 0.00 174.94 176.73 3i7l n VAL 259 N 4.00 0.01 -3.79 2.92 0.24 0.34 -4.95 118.33 117.10 3i7l n VAL 259 Ca 0.08 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 3i7l n VAL 259 Cb 0.48 0.18 -0.11 0.00 -1.47 0.00 0.00 33.84 32.92 3i7l n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7l s HIS 261 N -0.12 2.43 -0.18 0.00 -3.43 -1.26 0.13 115.29 112.87 3i7l s HIS 261 Ca -0.02 -0.71 -0.25 0.00 -0.80 0.00 0.00 55.06 53.28 3i7l s HIS 261 Cb -0.03 -1.69 0.06 0.00 -1.43 0.00 0.00 32.58 29.50 3i7l s HIS 261 CO 0.01 0.39 0.64 1.21 -2.00 0.00 0.00 174.74 174.99 3i7l s ASN 262 N -3.67 -0.65 -0.01 7.38 2.47 -0.56 -4.73 114.94 115.17 3i7l s ASN 262 Ca 0.35 1.08 -0.25 0.00 0.42 0.00 0.00 52.86 54.46 3i7l s ASN 262 Cb 0.10 1.06 -0.04 0.00 -1.45 0.00 0.00 41.25 40.91 3i7l s ASN 262 CO 0.18 -0.35 0.78 -0.60 -3.72 0.00 0.00 177.10 173.39 3i7l s ARG 263 N -0.18 4.49 -0.16 0.43 3.52 -1.26 -0.12 118.95 125.67 3i7l s ARG 263 Ca -0.04 1.07 -0.14 0.00 -0.13 0.00 0.00 55.73 56.49 3i7l s ARG 263 Cb -0.03 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 3i7l s ARG 263 CO 0.04 0.13 -0.27 0.28 -0.81 0.00 0.00 175.30 174.67 3i7l n VAL 264 N 3.39 1.45 -3.80 7.11 0.31 -0.19 -4.70 118.33 121.89 3i7l n VAL 264 Ca -0.00 0.18 -0.35 0.00 -0.01 0.00 0.00 64.34 64.15 3i7l n VAL 264 Cb 0.51 -2.36 -0.09 0.00 -0.91 0.00 0.00 33.84 30.98 3i7l n VAL 264 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3i7l s ASP 265 N -5.81 5.91 0.49 4.52 1.01 -1.22 -4.99 116.67 116.59 3i7l s ASP 265 Ca -0.22 0.11 0.40 0.00 0.71 0.00 0.00 52.55 53.55 3i7l s ASP 265 Cb 0.03 -2.04 1.38 0.00 1.01 0.00 0.00 42.92 43.30 3i7l s ASP 265 CO 0.33 0.13 1.31 -2.65 0.21 0.00 0.00 175.17 174.50 3i7l n PRO 266 N 3.85 0.00 0.11 8.23 -0.02 -1.26 -0.32 135.00 145.59 3i7l n PRO 266 Ca -0.16 0.93 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 3i7l n PRO 266 Cb 0.52 -2.17 0.28 0.00 -0.02 0.00 0.00 33.50 32.10 3i7l n PRO 266 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 3i7l h ASN 267 N 0.00 0.00 0.00 2.55 -1.07 -1.97 -3.44 115.58 111.65 3i7l h ASN 267 Ca 0.75 -0.07 0.00 0.00 0.07 0.00 0.00 56.30 57.05 3i7l h ASN 267 Cb 3.16 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 39.41 3i7l h ASN 267 CO -0.01 0.03 0.00 0.61 0.07 0.00 0.00 177.43 178.14 3i7l n GLY 268 N 1.28 0.91 0.19 9.14 0.00 0.56 -4.49 105.19 112.78 3i7l n GLY 268 Ca 0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3i7l n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i7l h SER 269 N 0.00 0.67 -3.86 1.61 4.64 -1.88 -3.43 113.55 111.31 3i7l h SER 269 Ca 0.00 -0.53 -0.55 0.00 -0.47 0.00 0.00 61.79 60.24 3i7l h SER 269 Cb 0.00 -0.19 -0.31 0.00 -0.31 0.00 0.00 62.40 61.59 3i7l h SER 269 CO 0.00 1.07 -0.83 -0.13 -0.87 0.00 0.00 176.83 176.06 3i7l s ARG 270 N -4.13 1.76 0.24 4.77 0.52 -1.26 0.15 118.95 120.99 3i7l s ARG 270 Ca -0.13 -0.59 0.10 0.00 -0.52 0.00 0.00 55.73 54.60 3i7l s ARG 270 Cb 0.07 -1.52 -0.05 0.00 0.52 0.00 0.00 34.95 33.97 3i7l s ARG 270 CO 0.82 0.22 -0.18 0.71 0.02 0.00 0.00 175.30 176.89 3i7l s TYR 271 N 0.08 2.06 0.04 -0.53 1.51 0.81 -1.02 117.35 120.31 3i7l s TYR 271 Ca -0.05 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.59 3i7l s TYR 271 Cb -0.12 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 3i7l s TYR 271 CO 0.02 0.55 0.18 -0.51 -1.11 0.00 0.00 175.55 174.68 3i7l s LEU 272 N -3.29 4.27 -0.08 -1.29 1.43 0.83 -0.89 118.68 119.66 3i7l s LEU 272 Ca 0.25 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 3i7l s LEU 272 Cb -0.04 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.42 3i7l s LEU 272 CO 0.11 0.20 0.04 -0.76 0.23 0.00 0.00 176.35 176.16 3i7l s LEU 273 N -2.33 0.42 -0.20 1.79 1.02 -1.09 -1.50 118.68 116.78 3i7l s LEU 273 Ca 0.32 -0.12 -0.11 0.00 0.02 0.00 0.00 54.13 54.24 3i7l s LEU 273 Cb -0.13 -0.31 -0.05 0.00 0.02 0.00 0.00 46.19 45.73 3i7l s LEU 273 CO 0.25 -0.24 0.19 -0.83 0.02 0.00 0.00 176.35 175.74 3i7l s GLY 274 N 2.06 2.08 0.13 -3.19 0.00 0.36 -1.77 107.32 106.99 3i7l s GLY 274 Ca 0.04 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.19 3i7l s GLY 274 CO -0.05 0.30 -0.07 -0.35 0.00 0.00 0.00 173.10 172.94 3i7l s ASP 275 N 0.55 4.53 0.36 1.64 2.15 -1.19 0.13 116.67 124.83 3i7l s ASP 275 Ca 0.11 -0.40 0.27 0.00 0.43 0.00 0.00 52.55 52.96 3i7l s ASP 275 Cb -0.12 -0.90 1.20 0.00 -0.30 0.00 0.00 42.92 42.80 3i7l s ASP 275 CO 0.01 0.14 1.81 -0.03 -0.17 0.00 0.00 175.17 176.93 3i7l h MET 276 N 3.25 0.00 0.00 4.34 4.05 -1.19 -1.97 114.93 123.41 3i7l h MET 276 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 3i7l h MET 276 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3i7l h MET 276 CO 0.55 0.00 -0.58 -1.91 0.23 0.00 0.00 176.91 175.20 3i7l n GLU 277 N -2.49 0.21 -0.06 0.39 4.07 -1.26 -4.94 120.64 116.56 3i7l n GLU 277 Ca 0.01 0.06 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 3i7l n GLU 277 Cb 0.20 -1.63 0.00 0.00 -0.06 0.00 0.00 31.44 29.95 3i7l n GLU 277 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i7l n GLY 278 N 1.38 0.70 3.76 8.31 0.00 -0.74 -4.85 105.19 113.75 3i7l n GLY 278 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3i7l n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i7l s ARG 279 N -0.94 4.68 -0.13 1.61 0.52 -1.26 0.57 118.95 124.00 3i7l s ARG 279 Ca 0.00 1.75 -0.02 0.00 -0.52 0.00 0.00 55.73 56.93 3i7l s ARG 279 Cb 0.00 -3.21 -0.03 0.00 0.52 0.00 0.00 34.95 32.24 3i7l s ARG 279 CO 0.00 0.27 -0.05 -1.17 0.02 0.00 0.00 175.30 174.37 3i7l s LEU 280 N -1.39 3.22 0.32 2.53 2.96 0.16 -3.17 118.68 123.32 3i7l s LEU 280 Ca 0.44 -0.09 0.09 0.00 -0.22 0.00 0.00 54.13 54.35 3i7l s LEU 280 Cb -0.31 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3i7l s LEU 280 CO 0.39 0.23 0.02 -0.36 -1.32 0.00 0.00 176.35 175.32 3i7l s PHE 281 N -0.03 2.59 -0.13 5.38 0.40 -0.73 -0.57 117.98 124.89 3i7l s PHE 281 Ca 0.01 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 3i7l s PHE 281 Cb -0.13 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 41.97 3i7l s PHE 281 CO 0.03 0.49 -0.20 1.41 0.70 0.00 0.00 175.22 177.65 3i7l s MET 282 N -3.72 3.10 -0.22 0.44 1.75 0.98 -2.67 119.30 118.95 3i7l s MET 282 Ca 0.34 -0.82 -0.10 0.00 -1.25 0.00 0.00 55.69 53.86 3i7l s MET 282 Cb -0.02 -2.47 -0.05 0.00 2.84 0.00 0.00 34.83 35.14 3i7l s MET 282 CO 0.20 0.05 0.13 -1.17 -0.65 0.00 0.00 175.02 173.58 3i7l s LEU 283 N 0.69 4.03 -0.16 4.11 2.96 -0.07 -0.00 118.68 130.24 3i7l s LEU 283 Ca -0.09 0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 3i7l s LEU 283 Cb -0.16 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3i7l s LEU 283 CO 0.01 0.10 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.19 3i7l s LEU 284 N 0.86 2.25 -0.48 -0.68 1.43 0.32 -0.13 118.68 122.24 3i7l s LEU 284 Ca 0.07 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.42 3i7l s LEU 284 Cb -0.13 -1.50 0.05 0.00 0.03 0.00 0.00 46.19 44.65 3i7l s LEU 284 CO 0.03 0.06 0.56 -0.76 0.23 0.00 0.00 176.35 176.46 3i7l s LEU 285 N 0.94 5.05 -0.50 1.79 1.02 0.40 -1.56 118.68 125.83 3i7l s LEU 285 Ca -0.03 -0.93 -0.27 0.00 0.02 0.00 0.00 54.13 52.91 3i7l s LEU 285 Cb -0.15 -2.40 -0.02 0.00 0.02 0.00 0.00 46.19 43.64 3i7l s LEU 285 CO -0.04 -0.79 1.79 -0.70 0.02 0.00 0.00 176.35 176.63 3i7l s GLU 286 N 2.38 2.96 0.21 1.70 -6.30 0.07 -4.81 118.70 114.92 3i7l s GLU 286 Ca 0.13 0.91 -0.12 0.00 -2.50 0.00 0.00 54.97 53.39 3i7l s GLU 286 Cb -0.20 -4.29 -0.07 0.00 0.00 0.00 0.00 34.13 29.57 3i7l s GLU 286 CO 0.11 -2.32 0.57 0.21 0.02 0.00 0.00 175.26 173.86 3i7l s LYS 287 N 6.36 3.89 -0.09 4.30 2.20 -1.26 0.47 119.74 135.62 3i7l s LYS 287 Ca 0.70 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 56.68 3i7l s LYS 287 Cb -0.16 -2.72 0.05 0.00 -1.51 0.00 0.00 37.83 33.48 3i7l s LYS 287 CO 0.26 0.35 0.18 -2.00 -0.36 0.00 0.00 175.35 173.79 3i7l s GLU 288 N -2.53 0.10 0.27 4.03 2.12 -1.10 -4.79 118.70 116.80 3i7l s GLU 288 Ca 0.45 0.52 -0.25 0.00 0.36 0.00 0.00 54.97 56.04 3i7l s GLU 288 Cb -0.12 -0.18 -0.09 0.00 0.26 0.00 0.00 34.13 33.99 3i7l s GLU 288 CO 0.20 -0.23 0.87 -2.00 -0.54 0.00 0.00 175.26 173.56 3i7l s GLU 289 N 1.74 4.55 0.00 4.30 2.12 -1.26 -2.30 118.70 127.85 3i7l s GLU 289 Ca -0.04 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.52 3i7l s GLU 289 Cb -0.12 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.32 3i7l s GLU 289 CO -0.07 0.38 0.00 1.04 -0.54 0.00 0.00 175.26 176.08 3i7l n GLN 290 N 0.89 2.21 0.05 4.30 6.02 -1.26 -5.02 117.38 124.56 3i7l n GLN 290 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3i7l n GLN 290 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 3i7l n GLN 290 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 3i7l n MET 291 N 0.00 0.00 -4.44 -1.09 1.56 -1.26 -5.01 117.12 106.89 3i7l n MET 291 Ca 0.00 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.11 3i7l n MET 291 Cb 0.00 -0.06 -0.16 0.00 2.15 0.00 0.00 33.22 35.14 3i7l n MET 291 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3i7l s ASP 292 N -4.72 2.98 0.00 6.12 1.01 -1.26 -4.94 116.67 115.86 3i7l s ASP 292 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.68 3i7l s ASP 292 Cb 0.00 -1.38 0.00 0.00 1.01 0.00 0.00 42.92 42.55 3i7l s ASP 292 CO 0.00 0.04 0.00 0.61 0.21 0.00 0.00 175.17 176.03 3i7l n GLY 293 N 4.30 -1.54 3.46 0.21 0.00 -1.26 -5.11 105.19 105.24 3i7l n GLY 293 Ca -0.20 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.41 3i7l n GLY 293 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7l s THR 294 N 0.00 0.00 0.25 2.61 2.01 -1.26 -5.14 115.64 114.11 3i7l s THR 294 Ca 0.00 -0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 3i7l s THR 294 Cb 0.00 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.39 3i7l s THR 294 CO 0.00 -0.00 1.63 1.33 -0.69 0.00 0.00 174.62 176.89 3i7l n VAL 295 N 0.18 0.56 -4.06 3.82 0.24 -1.26 -4.70 118.33 113.10 3i7l n VAL 295 Ca -0.18 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.34 61.82 3i7l n VAL 295 Cb 0.62 -1.91 -0.02 0.00 -1.47 0.00 0.00 33.84 31.06 3i7l n VAL 295 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i7l n THR 296 N 2.91 0.00 -3.82 3.34 5.66 -0.97 -4.66 114.28 116.74 3i7l n THR 296 Ca 0.12 -1.24 -0.36 0.00 -3.05 0.00 0.00 64.05 59.52 3i7l n THR 296 Cb 0.35 0.01 -0.13 0.00 -1.55 0.00 0.00 70.33 69.01 3i7l n THR 296 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3i7l s LEU 297 N 0.00 3.37 -0.12 1.09 2.96 -1.26 -2.69 118.68 122.02 3i7l s LEU 297 Ca 0.08 -0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3i7l s LEU 297 Cb -0.01 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3i7l s LEU 297 CO 0.05 -0.09 0.02 0.50 -1.32 0.00 0.00 176.35 175.52 3i7l h LYS 298 N 8.18 0.00 -3.68 1.98 3.64 -0.29 -3.48 116.57 122.92 3i7l h LYS 298 Ca -0.37 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.94 3i7l h LYS 298 Cb 1.15 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.84 3i7l h LYS 298 CO 0.59 0.15 -0.23 0.34 -2.27 0.00 0.00 179.45 178.04 3i7l s ASP 299 N -5.75 -0.04 -0.01 4.20 3.68 -1.18 -5.01 116.67 112.56 3i7l s ASP 299 Ca -0.08 -0.66 0.05 0.00 2.13 0.00 0.00 52.55 53.98 3i7l s ASP 299 Cb 0.01 0.45 -0.03 0.00 -1.45 0.00 0.00 42.92 41.89 3i7l s ASP 299 CO 0.17 -0.88 -0.14 -0.76 0.13 0.00 0.00 175.17 173.69 3i7l s LEU 300 N -2.90 2.78 0.03 -1.34 2.01 -1.26 -0.75 118.68 117.25 3i7l s LEU 300 Ca 0.11 -0.27 -0.10 0.00 0.01 0.00 0.00 54.13 53.88 3i7l s LEU 300 Cb 0.03 -1.60 0.01 0.00 0.01 0.00 0.00 46.19 44.63 3i7l s LEU 300 CO -0.05 0.30 0.20 -0.60 1.01 0.00 0.00 176.35 177.21 3i7l s ARG 301 N -1.13 0.68 -0.08 1.70 3.52 -0.60 -4.87 118.95 118.17 3i7l s ARG 301 Ca 0.14 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 3i7l s ARG 301 Cb -0.11 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 3i7l s ARG 301 CO 0.04 -0.20 -0.11 0.08 -0.81 0.00 0.00 175.30 174.30 3i7l s VAL 302 N -2.40 1.09 -0.21 7.11 1.01 -1.25 0.12 120.40 125.87 3i7l s VAL 302 Ca -0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 3i7l s VAL 302 Cb -0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 3i7l s VAL 302 CO -0.03 0.35 -0.04 -1.61 0.00 0.00 0.00 175.10 173.78 3i7l s GLU 303 N 0.97 3.43 -0.51 2.72 0.41 1.00 -4.92 118.70 121.79 3i7l s GLU 303 Ca -0.09 -0.60 -0.26 0.00 -0.41 0.00 0.00 54.97 53.61 3i7l s GLU 303 Cb -0.15 -3.00 -0.07 0.00 -1.78 0.00 0.00 34.13 29.13 3i7l s GLU 303 CO 0.00 -0.13 2.35 -1.17 -0.49 0.00 0.00 175.26 175.83 3i7l s LEU 304 N 1.31 3.38 0.23 1.80 2.96 -1.26 -0.02 118.68 127.08 3i7l s LEU 304 Ca 0.04 0.97 0.09 0.00 -0.22 0.00 0.00 54.13 55.01 3i7l s LEU 304 Cb -0.14 -2.50 0.21 0.00 0.50 0.00 0.00 46.19 44.25 3i7l s LEU 304 CO -0.01 -2.87 1.53 -0.07 -1.32 0.00 0.00 176.35 173.61 3i7l h LEU 305 N 19.41 0.03 0.00 -0.68 3.38 -1.15 -3.46 115.31 132.84 3i7l h LEU 305 Ca -0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3i7l h LEU 305 Cb 1.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3i7l h LEU 305 CO 1.16 0.73 0.00 0.61 0.09 0.00 0.00 178.44 181.04 3i7l n GLY 306 N 0.51 0.18 2.88 0.83 0.00 -1.16 -0.98 105.19 107.46 3i7l n GLY 306 Ca -0.01 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.69 3i7l n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7l s GLU 307 N -2.00 1.16 0.54 1.61 2.12 -1.26 -0.66 118.70 120.21 3i7l s GLU 307 Ca 0.00 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.22 3i7l s GLU 307 Cb 0.00 -1.24 0.03 0.00 0.26 0.00 0.00 34.13 33.18 3i7l s GLU 307 CO 0.00 -0.20 0.31 0.95 -0.54 0.00 0.00 175.26 175.79 3i7l s THR 308 N 1.47 1.49 0.57 -1.70 -4.23 0.19 -4.94 115.64 108.50 3i7l s THR 308 Ca -0.01 -1.61 -0.18 0.00 -1.18 0.00 0.00 61.69 58.71 3i7l s THR 308 Cb -0.13 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 3i7l s THR 308 CO -0.04 0.00 1.12 -0.94 -0.54 0.00 0.00 174.62 174.22 3i7l s SER 309 N -4.20 5.61 -0.32 3.99 1.04 -1.26 -4.60 113.70 113.96 3i7l s SER 309 Ca 0.26 2.10 -0.35 0.00 0.48 0.00 0.00 55.95 58.45 3i7l s SER 309 Cb -0.02 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.43 3i7l s SER 309 CO 0.16 -1.29 2.17 -0.38 0.98 0.00 0.00 173.24 174.88 3i7l n ILE 310 N -1.59 0.22 -3.21 -1.02 5.41 -1.26 -4.84 119.36 113.07 3i7l n ILE 310 Ca 0.11 -0.27 -0.39 0.00 1.00 0.00 0.00 62.75 63.21 3i7l n ILE 310 Cb 0.51 -1.73 -0.05 0.00 -0.71 0.00 0.00 39.64 37.66 3i7l n ILE 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i7l s ALA 311 N 7.20 3.45 -0.22 -1.39 0.00 -1.26 -4.18 121.76 125.36 3i7l s ALA 311 Ca 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 3i7l s ALA 311 Cb -0.81 -2.76 -0.13 0.00 0.00 0.00 0.00 23.12 19.42 3i7l s ALA 311 CO 0.48 0.05 -0.21 -1.91 0.00 0.00 0.00 175.76 174.18 3i7l n GLU 312 N 3.28 0.53 -4.44 0.00 0.00 0.10 -4.72 120.64 115.39 3i7l n GLU 312 Ca -0.06 0.14 -0.24 0.00 0.00 0.00 0.00 57.16 57.00 3i7l n GLU 312 Cb 0.51 -1.41 -0.10 0.00 0.00 0.00 0.00 31.44 30.44 3i7l n GLU 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i7l s LEU 314 N -3.29 -0.74 -0.19 0.00 2.96 -1.26 -1.54 118.68 114.61 3i7l s LEU 314 Ca 0.27 1.42 -0.08 0.00 -0.22 0.00 0.00 54.13 55.52 3i7l s LEU 314 Cb -0.05 2.34 0.08 0.00 0.50 0.00 0.00 46.19 49.06 3i7l s LEU 314 CO 0.13 -0.24 0.44 0.28 -1.32 0.00 0.00 176.35 175.64 3i7l s THR 315 N 0.90 -0.38 0.45 3.68 -1.32 -0.59 -4.72 115.64 113.65 3i7l s THR 315 Ca -0.04 0.13 -0.22 0.00 -1.21 0.00 0.00 61.69 60.34 3i7l s THR 315 Cb -0.05 -0.67 -0.08 0.00 -1.51 0.00 0.00 72.50 70.18 3i7l s THR 315 CO -0.08 0.05 1.07 -0.47 -2.21 0.00 0.00 174.62 172.99 3i7l s TYR 316 N 2.10 3.06 0.00 9.09 5.04 -1.26 -0.03 117.35 135.34 3i7l s TYR 316 Ca -0.05 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.17 3i7l s TYR 316 Cb -0.10 -3.16 0.00 0.00 0.35 0.00 0.00 41.96 39.05 3i7l s TYR 316 CO -0.13 -0.93 0.00 1.28 -1.34 0.00 0.00 175.55 174.43 3i7l n LEU 317 N -0.56 0.00 -4.68 6.97 4.77 0.25 -4.90 117.00 118.86 3i7l n LEU 317 Ca 0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 3i7l n LEU 317 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3i7l n LEU 317 CO 0.43 0.00 0.67 -0.62 -1.33 0.00 0.00 177.39 176.54 3i7l s ASP 318 N 1.00 7.08 -1.02 -1.43 2.15 -1.26 -4.78 116.67 118.41 3i7l s ASP 318 Ca 0.00 1.32 -0.07 0.00 0.43 0.00 0.00 52.55 54.23 3i7l s ASP 318 Cb 0.00 -2.49 -0.05 0.00 -0.30 0.00 0.00 42.92 40.08 3i7l s ASP 318 CO 0.00 -0.40 0.87 0.59 -0.17 0.00 0.00 175.17 176.06 3i7l n ASN 319 N 5.04 -6.60 0.00 -0.34 3.02 -1.26 -2.55 115.26 112.57 3i7l n ASN 319 Ca 0.06 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3i7l n ASN 319 Cb 0.49 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 3i7l n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7l n GLY 320 N -1.37 2.55 3.71 7.41 0.00 -1.26 -4.92 105.19 111.31 3i7l n GLY 320 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3i7l n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7l s VAL 321 N -2.56 5.02 -0.05 1.61 1.01 -1.06 -0.10 120.40 124.27 3i7l s VAL 321 Ca 0.00 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.53 3i7l s VAL 321 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3i7l s VAL 321 CO 0.00 0.22 -0.15 -0.69 0.00 0.00 0.00 175.10 174.48 3i7l s VAL 322 N 0.96 1.29 -0.05 2.92 1.01 -0.65 -0.58 120.40 125.31 3i7l s VAL 322 Ca 0.39 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 3i7l s VAL 322 Cb -0.18 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3i7l s VAL 322 CO 0.18 0.38 0.42 0.12 0.00 0.00 0.00 175.10 176.21 3i7l s PHE 323 N 0.28 3.64 -0.37 5.22 5.36 0.95 -1.64 117.98 131.43 3i7l s PHE 323 Ca -0.08 0.94 -0.02 0.00 -0.96 0.00 0.00 56.93 56.81 3i7l s PHE 323 Cb -0.13 -2.38 0.09 0.00 -0.34 0.00 0.00 43.02 40.26 3i7l s PHE 323 CO 0.03 0.46 0.13 0.08 -1.46 0.00 0.00 175.22 174.47 3i7l s VAL 324 N -0.44 3.11 -0.29 3.12 1.01 -0.46 -1.55 120.40 124.91 3i7l s VAL 324 Ca 0.24 -1.89 -0.22 0.00 0.00 0.00 0.00 61.98 60.10 3i7l s VAL 324 Cb -0.16 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.16 3i7l s VAL 324 CO 0.12 -0.52 0.73 -0.83 0.00 0.00 0.00 175.10 174.59 3i7l s GLY 325 N 1.57 1.75 0.03 4.51 0.00 -0.59 -1.85 107.32 112.73 3i7l s GLY 325 Ca 0.05 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.36 3i7l s GLY 325 CO -0.04 1.63 -0.07 -0.45 0.00 0.00 0.00 173.10 174.18 3i7l s SER 326 N 1.57 4.60 -0.16 1.64 0.15 -1.26 0.02 113.70 120.25 3i7l s SER 326 Ca 0.30 -0.19 0.07 0.00 0.70 0.00 0.00 55.95 56.83 3i7l s SER 326 Cb -0.15 -1.04 -0.15 0.00 -1.71 0.00 0.00 66.02 62.97 3i7l s SER 326 CO 0.11 0.26 -0.05 0.54 1.20 0.00 0.00 173.24 175.29 3i7l n ARG 327 N 1.35 1.07 0.16 5.44 1.74 -1.26 -2.07 116.66 123.09 3i7l n ARG 327 Ca -0.15 0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.10 3i7l n ARG 327 Cb 0.52 -1.37 0.20 0.00 -1.02 0.00 0.00 32.46 30.79 3i7l n ARG 327 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3i7l h LEU 328 N 0.00 0.00 0.00 0.55 4.07 -1.95 -3.33 115.31 114.64 3i7l h LEU 328 Ca -0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.52 3i7l h LEU 328 Cb 1.76 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.50 3i7l h LEU 328 CO -0.02 0.01 -0.01 0.61 -1.08 0.00 0.00 178.44 177.95 3i7l n GLY 329 N 1.19 3.29 3.74 0.83 0.00 -1.26 -3.27 105.19 109.70 3i7l n GLY 329 Ca 0.04 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3i7l n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i7l s ASP 330 N -1.10 6.64 0.62 1.61 1.11 -1.26 -4.57 116.67 119.73 3i7l s ASP 330 Ca 0.01 2.65 -0.14 0.00 0.18 0.00 0.00 52.55 55.25 3i7l s ASP 330 Cb -0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 3i7l s ASP 330 CO 0.01 -0.73 1.05 -0.44 1.18 0.00 0.00 175.17 176.24 3i7l s SER 331 N 0.55 5.70 0.24 0.27 0.01 -0.56 -4.70 113.70 115.22 3i7l s SER 331 Ca 0.62 1.72 -0.08 0.00 1.31 0.00 0.00 55.95 59.52 3i7l s SER 331 Cb -0.42 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.27 3i7l s SER 331 CO 0.40 -1.22 0.35 0.00 0.41 0.00 0.00 173.24 173.18 3i7l s GLN 332 N -4.43 1.44 -0.13 12.44 -2.07 -0.77 0.25 119.66 126.38 3i7l s GLN 332 Ca 0.61 -1.42 0.02 0.00 -1.82 0.00 0.00 55.36 52.75 3i7l s GLN 332 Cb -0.15 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.18 3i7l s GLN 332 CO 0.43 -0.56 -0.19 -1.17 -1.32 0.00 0.00 175.29 172.48 3i7l s LEU 333 N -3.08 1.95 0.16 2.60 2.96 0.23 -1.35 118.68 122.14 3i7l s LEU 333 Ca 0.29 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3i7l s LEU 333 Cb 0.02 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3i7l s LEU 333 CO 0.11 0.04 -0.17 0.68 -1.32 0.00 0.00 176.35 175.69 3i7l s VAL 334 N 0.95 1.71 -0.11 1.68 -7.23 -0.65 -0.52 120.40 116.23 3i7l s VAL 334 Ca -0.05 -1.91 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 3i7l s VAL 334 Cb -0.15 -1.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 3i7l s VAL 334 CO -0.03 -0.36 -0.00 -0.75 -0.31 0.00 0.00 175.10 173.65 3i7l s LYS 335 N -2.85 3.27 -0.23 4.82 2.47 0.21 -1.63 119.74 125.80 3i7l s LYS 335 Ca 0.15 -0.43 -0.08 0.00 -1.56 0.00 0.00 55.97 54.05 3i7l s LYS 335 Cb -0.05 -2.87 -0.04 0.00 -1.46 0.00 0.00 37.83 33.41 3i7l s LYS 335 CO 0.06 0.54 0.10 -0.51 0.16 0.00 0.00 175.35 175.69 3i7l s LEU 336 N -0.43 3.76 0.12 5.43 1.43 0.85 -0.81 118.68 129.03 3i7l s LEU 336 Ca 0.08 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 3i7l s LEU 336 Cb -0.12 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3i7l s LEU 336 CO 0.02 0.06 -0.09 0.20 0.23 0.00 0.00 176.35 176.77 3i7l s ASN 337 N 1.09 4.41 0.23 2.29 0.01 -0.59 -4.69 114.94 117.70 3i7l s ASN 337 Ca 0.05 -0.41 0.12 0.00 -0.71 0.00 0.00 52.86 51.91 3i7l s ASN 337 Cb -0.14 -0.84 0.14 0.00 0.41 0.00 0.00 41.25 40.82 3i7l s ASN 337 CO 0.04 0.16 1.47 0.58 -1.51 0.00 0.00 177.10 177.84 3i7l h VAL 338 N 3.14 1.33 -3.75 1.60 2.07 -1.99 -3.44 116.25 115.21 3i7l h VAL 338 Ca -0.49 -2.53 -0.68 0.00 0.82 0.00 0.00 66.70 63.83 3i7l h VAL 338 Cb 1.17 2.43 -0.24 0.00 -1.52 0.00 0.00 31.29 33.13 3i7l h VAL 338 CO 0.53 0.68 -0.77 -1.81 0.02 0.00 0.00 177.57 176.22 3i7l s ASP 339 N -6.64 4.04 0.73 0.57 1.01 -1.26 -5.09 116.67 110.03 3i7l s ASP 339 Ca 0.01 -0.24 -0.11 0.00 0.71 0.00 0.00 52.55 52.91 3i7l s ASP 339 Cb 0.10 -1.15 0.03 0.00 1.01 0.00 0.00 42.92 42.92 3i7l s ASP 339 CO 0.77 0.28 1.08 -0.94 0.21 0.00 0.00 175.17 176.57 3i7l s SER 340 N -0.32 4.86 0.00 0.27 1.04 -1.26 -4.77 113.70 113.52 3i7l s SER 340 Ca 0.03 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3i7l s SER 340 Cb -0.13 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3i7l s SER 340 CO 0.03 -1.79 0.00 -0.46 0.98 0.00 0.00 173.24 171.99 3i7l n ASN 341 N -3.20 0.00 -4.73 7.02 0.23 -0.91 -4.88 115.26 108.78 3i7l n ASN 341 Ca 0.09 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.73 3i7l n ASN 341 Cb 0.53 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.19 3i7l n ASN 341 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3i7l s GLU 342 N 3.09 4.64 0.00 -3.83 8.01 -1.26 -3.05 118.70 126.30 3i7l s GLU 342 Ca 0.00 1.57 0.00 0.00 0.01 0.00 0.00 54.97 56.55 3i7l s GLU 342 Cb 0.00 -3.34 0.00 0.00 -4.31 0.00 0.00 34.13 26.48 3i7l s GLU 342 CO 0.00 0.13 0.00 1.04 0.01 0.00 0.00 175.26 176.44 3i7l n GLN 343 N 2.72 0.00 -1.17 1.61 6.02 -1.26 -4.33 117.38 120.96 3i7l n GLN 343 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3i7l n GLN 343 Cb 0.48 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.21 3i7l n GLN 343 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i7l n GLY 344 N -2.11 0.47 3.59 1.08 0.00 -1.17 -5.02 105.19 102.03 3i7l n GLY 344 Ca 0.00 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 3i7l n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7l s SER 345 N -2.90 6.38 0.00 1.61 0.15 -1.26 -4.76 113.70 112.92 3i7l s SER 345 Ca 0.00 0.26 0.30 0.00 0.70 0.00 0.00 55.95 57.21 3i7l s SER 345 Cb 0.00 -2.28 1.36 0.00 -1.71 0.00 0.00 66.02 63.39 3i7l s SER 345 CO 0.00 -0.40 1.98 -1.22 1.20 0.00 0.00 173.24 174.81 3i7l n TYR 346 N 5.68 0.00 -4.02 3.44 4.02 -0.15 -2.13 117.16 124.00 3i7l n TYR 346 Ca -0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.50 3i7l n TYR 346 Cb 0.49 -0.40 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 3i7l n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i7l s VAL 347 N -2.80 4.79 -0.07 -0.72 1.01 -1.23 -1.54 120.40 119.84 3i7l s VAL 347 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3i7l s VAL 347 Cb 0.20 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.45 3i7l s VAL 347 CO 0.50 0.47 -0.05 -0.69 0.00 0.00 0.00 175.10 175.33 3i7l s VAL 348 N 0.29 0.71 0.43 2.92 1.01 0.01 -4.92 120.40 120.84 3i7l s VAL 348 Ca 0.04 -0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 3i7l s VAL 348 Cb -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 3i7l s VAL 348 CO 0.00 0.29 1.04 0.00 0.00 0.00 0.00 175.10 176.43 3i7l n ALA 349 N 4.59 0.32 0.00 5.51 0.00 -1.26 0.64 120.51 130.31 3i7l n ALA 349 Ca -0.16 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3i7l n ALA 349 Cb 0.50 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3i7l n ALA 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3i7l n MET 350 N 0.05 0.50 -3.75 0.00 2.81 0.32 -4.79 117.12 112.27 3i7l n MET 350 Ca 0.09 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.85 3i7l n MET 350 Cb 0.40 -0.89 -0.09 0.00 -0.71 0.00 0.00 33.22 31.93 3i7l n MET 350 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3i7l s GLU 351 N -1.78 0.65 -0.03 0.03 2.02 -0.91 -4.99 118.70 113.67 3i7l s GLU 351 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 54.95 3i7l s GLU 351 Cb 0.00 0.29 0.01 0.00 0.10 0.00 0.00 34.13 34.53 3i7l s GLU 351 CO 0.00 -0.17 -0.09 0.99 0.02 0.00 0.00 175.26 176.01 3i7l s THR 352 N -1.09 0.83 -0.21 3.63 2.01 -1.26 -0.60 115.64 118.95 3i7l s THR 352 Ca -0.11 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.54 3i7l s THR 352 Cb -0.05 -0.75 0.04 0.00 0.01 0.00 0.00 72.50 71.76 3i7l s THR 352 CO 0.04 0.26 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.72 3i7l s PHE 353 N 0.31 2.88 -0.45 4.92 0.40 0.68 -4.97 117.98 121.76 3i7l s PHE 353 Ca -0.05 -1.86 -0.46 0.00 -0.60 0.00 0.00 56.93 53.95 3i7l s PHE 353 Cb -0.10 -1.87 -0.20 0.00 0.51 0.00 0.00 43.02 41.35 3i7l s PHE 353 CO 0.01 -0.82 1.55 2.41 0.70 0.00 0.00 175.22 179.07 3i7l n THR 354 N 4.57 0.00 -4.13 0.64 -1.04 -1.26 -1.50 114.28 111.56 3i7l n THR 354 Ca -0.18 -0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.53 3i7l n THR 354 Cb 0.47 -0.46 -0.16 0.00 -1.82 0.00 0.00 70.33 68.36 3i7l n THR 354 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3i7l s ASN 355 N 2.70 2.66 0.00 8.00 2.47 -1.26 -4.81 114.94 124.70 3i7l s ASN 355 Ca 1.04 -0.48 0.15 0.00 0.42 0.00 0.00 52.86 53.98 3i7l s ASN 355 Cb -1.47 -1.18 0.62 0.00 -1.45 0.00 0.00 41.25 37.78 3i7l s ASN 355 CO 0.79 -0.04 1.44 0.18 -3.72 0.00 0.00 177.10 175.75 3i7l n LEU 356 N 4.63 1.01 0.00 3.21 4.77 -1.26 -4.67 117.00 124.69 3i7l n LEU 356 Ca -0.18 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 3i7l n LEU 356 Cb 0.50 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3i7l n LEU 356 CO 0.22 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3i7l n GLY 357 N 0.92 -0.72 3.69 -0.72 0.00 -1.26 -3.79 105.19 103.32 3i7l n GLY 357 Ca 0.12 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3i7l n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i7l s PRO 358 N 0.00 4.29 -0.54 1.61 0.02 -1.15 -1.68 135.00 137.55 3i7l s PRO 358 Ca 0.00 1.98 -0.20 0.00 0.02 0.00 0.00 61.00 62.80 3i7l s PRO 358 Cb 0.00 -3.52 0.07 0.00 0.02 0.00 0.00 34.50 31.07 3i7l s PRO 358 CO 0.00 -0.55 0.72 0.42 -0.33 0.00 0.00 177.00 177.26 3i7l s ILE 359 N 2.17 4.74 -0.33 2.83 1.01 -1.05 -1.63 121.20 128.94 3i7l s ILE 359 Ca 0.64 -0.47 0.22 0.00 0.00 0.00 0.00 60.65 61.04 3i7l s ILE 359 Cb -0.32 -4.41 0.17 0.00 0.01 0.00 0.00 42.46 37.91 3i7l s ILE 359 CO 0.27 -0.98 1.34 -0.37 0.00 0.00 0.00 174.94 175.20 3i7l h VAL 360 N 5.91 0.04 -1.84 2.92 -1.51 -0.96 -3.40 116.25 117.40 3i7l h VAL 360 Ca -0.28 -1.06 0.24 0.00 -1.23 0.00 0.00 66.70 64.37 3i7l h VAL 360 Cb 1.09 1.79 -0.12 0.00 -2.13 0.00 0.00 31.29 31.92 3i7l h VAL 360 CO 1.03 0.02 0.67 -0.62 -1.23 0.00 0.00 177.57 177.45 3i7l s ASP 361 N -5.84 -0.15 0.21 4.19 2.15 -1.24 -4.73 116.67 111.26 3i7l s ASP 361 Ca 0.03 -0.17 -0.22 0.00 0.43 0.00 0.00 52.55 52.62 3i7l s ASP 361 Cb 0.07 0.29 0.06 0.00 -0.30 0.00 0.00 42.92 43.04 3i7l s ASP 361 CO 0.73 -0.52 0.94 0.00 -0.17 0.00 0.00 175.17 176.15 3i7l s MET 362 N -2.79 1.45 0.18 4.34 0.23 -1.26 -0.77 119.30 120.67 3i7l s MET 362 Ca 0.11 -0.87 -0.23 0.00 -1.03 0.00 0.00 55.69 53.68 3i7l s MET 362 Cb 0.01 0.45 0.06 0.00 -1.53 0.00 0.00 34.83 33.82 3i7l s MET 362 CO -0.03 -0.67 0.62 0.00 -2.03 0.00 0.00 175.02 172.91 3i7l s VAL 364 N -3.78 3.56 0.14 0.00 1.01 -1.26 -1.32 120.40 118.75 3i7l s VAL 364 Ca 0.03 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.55 3i7l s VAL 364 Cb -0.02 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3i7l s VAL 364 CO -0.10 0.53 -0.10 0.68 0.00 0.00 0.00 175.10 176.12 3i7l s VAL 365 N 0.06 1.11 -1.10 2.92 -7.23 0.18 -4.92 120.40 111.42 3i7l s VAL 365 Ca -0.02 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 57.99 3i7l s VAL 365 Cb -0.14 -1.82 0.23 0.00 0.56 0.00 0.00 36.38 35.21 3i7l s VAL 365 CO 0.03 -0.76 1.18 -1.81 -0.31 0.00 0.00 175.10 173.44 3i7l s ASP 366 N -3.13 7.13 0.00 4.85 1.11 -1.26 0.35 116.67 125.72 3i7l s ASP 366 Ca 0.16 -3.19 -0.12 0.00 0.18 0.00 0.00 52.55 49.57 3i7l s ASP 366 Cb 0.03 -2.29 -0.07 0.00 1.07 0.00 0.00 42.92 41.66 3i7l s ASP 366 CO -0.00 -0.52 0.86 -0.07 1.18 0.00 0.00 175.17 176.62 3i7l h LEU 367 N 8.07 -0.38 -2.26 1.23 3.38 -1.87 -3.18 115.31 120.29 3i7l h LEU 367 Ca 0.22 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i7l h LEU 367 Cb 0.90 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3i7l h LEU 367 CO 1.07 -0.19 0.00 -0.62 0.09 0.00 0.00 178.44 178.79 3i7l n GLU 368 N -3.65 0.59 0.00 1.13 -0.58 -1.26 -4.78 120.64 112.10 3i7l n GLU 368 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3i7l n GLU 368 Cb 0.18 -1.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 3i7l n GLU 368 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3i7l n ARG 369 N 0.89 0.00 -1.90 3.49 3.00 -1.20 -4.91 116.66 116.03 3i7l n ARG 369 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 3i7l n ARG 369 Cb 0.29 -2.63 0.02 0.00 0.00 0.00 0.00 32.46 30.14 3i7l n ARG 369 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3i7l s GLN 370 N 0.00 3.37 0.00 -0.14 -0.21 -1.26 -4.91 119.66 116.51 3i7l s GLN 370 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 55.36 56.33 3i7l s GLN 370 Cb 0.00 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.96 3i7l s GLN 370 CO 0.00 -0.75 0.27 0.41 -2.12 0.00 0.00 175.29 173.10 3i7l n GLY 371 N -1.91 0.64 3.74 3.09 0.00 -1.20 -4.71 105.19 104.84 3i7l n GLY 371 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3i7l n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i7l s GLN 372 N -0.19 4.19 0.36 1.61 1.03 -1.11 -4.20 119.66 121.34 3i7l s GLN 372 Ca 0.00 0.02 -0.28 0.00 0.04 0.00 0.00 55.36 55.14 3i7l s GLN 372 Cb 0.00 -3.41 -0.10 0.00 0.03 0.00 0.00 33.01 29.54 3i7l s GLN 372 CO 0.00 0.29 1.33 0.20 -2.54 0.00 0.00 175.29 174.57 3i7l s GLY 373 N 0.32 2.97 -0.03 2.60 0.00 -1.21 -4.56 107.32 107.40 3i7l s GLY 373 Ca 0.15 1.29 0.05 0.00 0.00 0.00 0.00 44.72 46.21 3i7l s GLY 373 CO 0.03 1.93 -0.17 1.62 0.00 0.00 0.00 173.10 176.50 3i7l s GLN 374 N -1.98 1.66 -0.15 2.90 0.74 0.15 -4.59 119.66 118.39 3i7l s GLN 374 Ca 0.52 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 55.30 3i7l s GLN 374 Cb -0.40 -1.49 -0.02 0.00 1.10 0.00 0.00 33.01 32.20 3i7l s GLN 374 CO 0.53 0.28 -0.08 -1.17 -0.55 0.00 0.00 175.29 174.30 3i7l s LEU 375 N -0.08 2.98 -0.17 3.68 2.96 -0.69 0.51 118.68 127.87 3i7l s LEU 375 Ca -0.01 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3i7l s LEU 375 Cb -0.10 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.91 3i7l s LEU 375 CO 0.01 0.14 -0.15 0.54 -1.32 0.00 0.00 176.35 175.58 3i7l s VAL 376 N 0.52 1.71 0.03 1.68 0.11 -0.43 0.69 120.40 124.70 3i7l s VAL 376 Ca -0.06 -0.78 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 3i7l s VAL 376 Cb -0.15 -1.62 -0.04 0.00 -1.53 0.00 0.00 36.38 33.04 3i7l s VAL 376 CO 0.03 0.42 0.20 0.42 -3.33 0.00 0.00 175.10 172.84 3i7l s THR 377 N 1.42 5.39 -0.40 5.04 -4.23 -0.65 -2.59 115.64 119.62 3i7l s THR 377 Ca 0.04 -0.30 -0.24 0.00 -1.18 0.00 0.00 61.69 60.00 3i7l s THR 377 Cb -0.14 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.14 3i7l s THR 377 CO -0.11 0.21 0.86 0.00 -0.54 0.00 0.00 174.62 175.05 3i7l s SER 379 N 1.99 2.44 0.22 0.00 0.01 0.02 -0.28 113.70 118.10 3i7l s SER 379 Ca 0.35 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.93 3i7l s SER 379 Cb -0.12 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.98 3i7l s SER 379 CO 0.20 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.51 3i7l n GLY 380 N 1.14 -1.79 3.59 3.44 0.00 -0.64 -0.40 105.19 110.53 3i7l n GLY 380 Ca -0.20 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3i7l n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7l s ALA 381 N -1.22 -1.47 0.00 4.61 0.00 -1.20 -4.60 121.76 117.88 3i7l s ALA 381 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3i7l s ALA 381 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3i7l s ALA 381 CO 0.00 -0.87 0.00 1.19 0.00 0.00 0.00 175.76 176.08 3i7l n PHE 382 N -0.41 0.00 0.27 0.00 3.01 -1.26 -1.16 117.46 117.91 3i7l n PHE 382 Ca -0.12 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.49 3i7l n PHE 382 Cb 0.63 0.01 0.87 0.00 -0.01 0.00 0.00 39.48 40.97 3i7l n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i7l h LYS 383 N 0.00 0.00 0.00 -1.08 2.10 -1.88 0.18 116.57 115.88 3i7l h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i7l h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i7l h LYS 383 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 3i7l n GLU 384 N -3.91 0.63 -1.36 0.07 -0.58 -0.31 -3.74 120.64 111.44 3i7l n GLU 384 Ca -0.02 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.37 3i7l n GLU 384 Cb 0.14 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.61 3i7l n GLU 384 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i7l s GLY 385 N -2.36 2.41 -0.01 0.62 0.00 0.56 -4.26 107.32 104.27 3i7l s GLY 385 Ca 0.36 0.97 -0.29 0.00 0.00 0.00 0.00 44.72 45.76 3i7l s GLY 385 CO 0.43 1.40 0.97 -1.35 0.00 0.00 0.00 173.10 174.54 3i7l s SER 386 N -1.89 -0.29 0.11 1.64 1.04 0.47 -1.38 113.70 113.41 3i7l s SER 386 Ca 0.76 -0.06 -0.08 0.00 0.48 0.00 0.00 55.95 57.05 3i7l s SER 386 Cb -0.32 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 3i7l s SER 386 CO 0.46 -0.58 0.41 -0.76 0.98 0.00 0.00 173.24 173.75 3i7l s LEU 387 N -2.52 4.31 -0.16 2.42 1.43 -0.37 -0.80 118.68 122.99 3i7l s LEU 387 Ca 0.07 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3i7l s LEU 387 Cb -0.01 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.10 3i7l s LEU 387 CO -0.07 0.11 -0.10 -0.13 0.23 0.00 0.00 176.35 176.40 3i7l s ARG 388 N -2.22 1.86 -0.29 1.70 1.81 -0.94 -0.43 118.95 120.45 3i7l s ARG 388 Ca 0.37 -0.55 -0.23 0.00 -1.72 0.00 0.00 55.73 53.61 3i7l s ARG 388 Cb -0.13 -2.04 -0.01 0.00 -0.45 0.00 0.00 34.95 32.33 3i7l s ARG 388 CO 0.20 -0.33 0.75 0.42 -0.68 0.00 0.00 175.30 175.65 3i7l s ILE 389 N 1.55 4.85 -0.17 1.52 1.09 -1.26 -1.63 121.20 127.15 3i7l s ILE 389 Ca 0.03 1.20 -0.02 0.00 -1.10 0.00 0.00 60.65 60.75 3i7l s ILE 389 Cb -0.14 -4.08 -0.01 0.00 -1.06 0.00 0.00 42.46 37.16 3i7l s ILE 389 CO -0.09 -0.15 -0.08 -0.63 -0.10 0.00 0.00 174.94 173.89 3i7l s ILE 390 N 2.81 3.33 -0.05 2.92 1.01 0.22 0.09 121.20 131.53 3i7l s ILE 390 Ca 0.31 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.45 3i7l s ILE 390 Cb -0.15 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.87 3i7l s ILE 390 CO 0.11 0.48 -0.14 -0.60 0.00 0.00 0.00 174.94 174.79 3i7l s ARG 391 N 0.79 1.62 0.29 2.79 3.52 0.72 -1.71 118.95 126.96 3i7l s ARG 391 Ca -0.03 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 54.78 3i7l s ARG 391 Cb -0.15 -1.39 -0.10 0.00 -1.56 0.00 0.00 34.95 31.75 3i7l s ARG 391 CO 0.01 0.15 1.16 1.21 -0.81 0.00 0.00 175.30 177.03 3i7l s ASN 392 N 0.26 7.12 0.00 -2.12 3.84 -1.26 0.42 114.94 123.20 3i7l s ASN 392 Ca -0.07 2.38 0.00 0.00 0.21 0.00 0.00 52.86 55.38 3i7l s ASN 392 Cb -0.12 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 37.95 3i7l s ASN 392 CO 0.02 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 3i7l n GLY 393 N 1.17 -1.01 3.84 1.21 0.00 -0.07 -4.84 105.19 105.49 3i7l n GLY 393 Ca -0.00 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 3i7l n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7l s ILE 394 N -1.76 5.46 0.26 -0.61 1.01 -0.61 -4.41 121.20 120.53 3i7l s ILE 394 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.98 3i7l s ILE 394 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3i7l s ILE 394 CO 0.00 0.57 -0.02 -0.83 0.00 0.00 0.00 174.94 174.65 3i7l s GLY 395 N -0.63 1.67 0.00 6.18 0.00 -1.26 0.16 107.32 113.45 3i7l s GLY 395 Ca 0.14 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.22 3i7l s GLY 395 CO 0.03 -1.71 -0.04 -0.26 0.00 0.00 0.00 173.10 171.12 3i7l s ILE 396 N -2.27 0.34 -0.55 0.90 -5.25 -1.26 -1.96 121.20 111.14 3i7l s ILE 396 Ca 0.31 -0.33 -0.22 0.00 -0.99 0.00 0.00 60.65 59.42 3i7l s ILE 396 Cb -0.07 -0.32 0.05 0.00 2.95 0.00 0.00 42.46 45.08 3i7l s ILE 396 CO 0.19 -0.00 0.83 -1.00 -1.79 0.00 0.00 174.94 173.17 3i7l s HIS 397 N -0.33 2.87 -0.22 1.37 3.76 -1.12 -4.96 115.29 116.66 3i7l s HIS 397 Ca -0.01 -0.31 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 3i7l s HIS 397 Cb -0.03 -3.92 -0.01 0.00 1.11 0.00 0.00 32.58 29.73 3i7l s HIS 397 CO -0.00 -1.28 1.36 -1.21 -0.85 0.00 0.00 174.74 172.76 3i7l s GLU 398 N 3.46 4.04 0.00 1.40 2.02 -1.26 -3.99 118.70 124.37 3i7l s GLU 398 Ca 0.23 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.77 3i7l s GLU 398 Cb -0.16 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.20 3i7l s GLU 398 CO 0.15 -0.96 0.00 0.72 0.02 0.00 0.00 175.26 175.18 3i7l n HIS 399 N 7.32 0.00 -1.99 1.61 8.25 -1.11 -5.02 115.22 124.28 3i7l n HIS 399 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.20 3i7l n HIS 399 Cb 0.45 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 3i7l n HIS 399 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i7l s ALA 400 N -3.15 3.56 -0.28 -1.41 0.00 -1.26 -4.91 121.76 114.31 3i7l s ALA 400 Ca 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 51.96 53.30 3i7l s ALA 400 Cb 0.00 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 19.68 3i7l s ALA 400 CO 0.00 -0.79 0.13 -1.12 0.00 0.00 0.00 175.76 173.98 3i7l s SER 401 N -0.14 3.37 -0.10 0.00 0.01 -1.26 -4.36 113.70 111.21 3i7l s SER 401 Ca 0.53 -1.22 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 3i7l s SER 401 Cb -0.42 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.48 3i7l s SER 401 CO 0.53 -0.43 1.12 -0.63 0.41 0.00 0.00 173.24 174.24 3i7l s ILE 402 N 2.11 4.50 -1.15 1.44 1.09 -1.21 -4.81 121.20 123.17 3i7l s ILE 402 Ca 0.09 1.80 -0.19 0.00 -1.10 0.00 0.00 60.65 61.24 3i7l s ILE 402 Cb -0.16 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.04 3i7l s ILE 402 CO -0.35 -0.03 1.99 0.47 -0.10 0.00 0.00 174.94 176.92 3i7l n ASP 403 N 5.40 3.45 -4.32 3.58 9.92 -1.26 -1.15 116.55 132.16 3i7l n ASP 403 Ca 0.11 -2.77 -0.38 0.00 -0.53 0.00 0.00 54.79 51.21 3i7l n ASP 403 Cb 0.47 -1.50 -0.12 0.00 -0.64 0.00 0.00 41.12 39.33 3i7l n ASP 403 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i7l s LEU 404 N 3.64 4.19 0.00 0.64 2.96 -1.26 -4.90 118.68 123.95 3i7l s LEU 404 Ca 0.55 -0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3i7l s LEU 404 Cb 0.10 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.92 3i7l s LEU 404 CO 0.05 -0.28 0.15 -2.65 -1.32 0.00 0.00 176.35 172.30 3i7l n PRO 405 N 4.87 -0.71 0.00 0.98 -0.02 -1.26 -3.49 135.00 135.37 3i7l n PRO 405 Ca -0.13 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 3i7l n PRO 405 Cb 0.46 -0.19 0.00 0.00 -0.02 0.00 0.00 33.50 33.76 3i7l n PRO 405 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7l n GLY 406 N 2.78 0.00 3.28 -1.23 0.00 -1.26 -4.91 105.19 103.84 3i7l n GLY 406 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 3i7l n GLY 406 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i7l s ILE 407 N 0.00 1.36 0.00 -0.61 1.01 -1.26 -3.41 121.20 118.29 3i7l s ILE 407 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 60.65 58.59 3i7l s ILE 407 Cb 0.00 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3i7l s ILE 407 CO 0.00 -0.66 0.00 0.29 0.00 0.00 0.00 174.94 174.57 3i7l n LYS 408 N -0.16 0.04 0.00 2.79 4.76 0.62 -4.80 118.16 121.42 3i7l n LYS 408 Ca -0.10 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3i7l n LYS 408 Cb 0.60 -0.17 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 3i7l n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7l n GLY 409 N 0.01 1.05 3.53 0.72 0.00 -1.25 -4.91 105.19 104.32 3i7l n GLY 409 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 3i7l n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i7l s LEU 410 N 0.00 -0.43 0.04 0.99 0.05 -1.26 -3.30 118.68 114.77 3i7l s LEU 410 Ca 0.00 0.27 -0.01 0.00 0.05 0.00 0.00 54.13 54.44 3i7l s LEU 410 Cb 0.00 2.09 -0.03 0.00 -2.05 0.00 0.00 46.19 46.19 3i7l s LEU 410 CO 0.00 -0.54 -0.03 0.26 -0.55 0.00 0.00 176.35 175.49 3i7l s TRP 411 N -2.11 0.42 -0.60 3.48 0.51 -1.26 -4.61 118.94 114.78 3i7l s TRP 411 Ca -0.00 -0.86 -0.28 0.00 -2.12 0.00 0.00 56.10 52.84 3i7l s TRP 411 Cb -0.01 -0.31 0.01 0.00 -0.81 0.00 0.00 33.47 32.35 3i7l s TRP 411 CO -0.02 -0.30 1.45 -1.25 -0.51 0.00 0.00 176.95 176.31 3i7l s PRO 412 N -2.96 3.20 0.10 4.98 0.04 -1.26 -4.84 135.00 134.26 3i7l s PRO 412 Ca -0.02 0.36 0.06 0.00 0.04 0.00 0.00 61.00 61.45 3i7l s PRO 412 Cb 0.01 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 3i7l s PRO 412 CO -0.06 -2.07 -0.16 -1.17 0.04 0.00 0.00 177.00 173.57 3i7l s LEU 413 N 6.37 2.33 0.00 -3.56 2.96 -1.26 -4.58 118.68 120.94 3i7l s LEU 413 Ca 0.51 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3i7l s LEU 413 Cb -0.11 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.93 3i7l s LEU 413 CO 0.23 -0.05 0.00 -1.14 -1.32 0.00 0.00 176.35 174.06 3i7l n ARG 414 N 0.96 0.00 0.00 1.98 0.63 -1.26 -4.33 116.66 114.64 3i7l n ARG 414 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 3i7l n ARG 414 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 3i7l n ARG 414 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i7l n SER 415 N 0.00 0.00 -3.99 6.15 2.88 -1.26 -3.39 113.62 114.02 3i7l n SER 415 Ca 0.00 -0.05 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 3i7l n SER 415 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3i7l n SER 415 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3i7l s ASP 416 N 0.00 0.05 -0.33 -3.46 1.11 -1.26 -5.04 116.67 107.74 3i7l s ASP 416 Ca 0.00 -0.92 0.08 0.00 0.18 0.00 0.00 52.55 51.89 3i7l s ASP 416 Cb 0.00 0.44 0.70 0.00 1.07 0.00 0.00 42.92 45.12 3i7l s ASP 416 CO 0.00 -0.90 1.78 -0.81 1.18 0.00 0.00 175.17 176.42 3i7l n PRO 417 N -0.22 3.33 0.00 8.23 -0.04 -1.26 -4.92 135.00 140.12 3i7l n PRO 417 Ca -0.06 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.51 3i7l n PRO 417 Cb 0.63 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 3i7l n PRO 417 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7l n ASN 418 N -0.29 0.00 -4.58 3.54 3.02 -1.26 -5.02 115.26 110.67 3i7l n ASN 418 Ca 0.42 0.00 -0.59 0.00 -0.03 0.00 0.00 54.58 54.38 3i7l n ASN 418 Cb 1.39 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 40.48 3i7l n ASN 418 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3i7l n ARG 419 N 0.00 0.34 0.00 3.52 1.85 -1.26 -4.82 116.66 116.29 3i7l n ARG 419 Ca 0.00 0.12 0.09 0.00 -1.00 0.00 0.00 57.85 57.06 3i7l n ARG 419 Cb 0.00 -1.67 0.53 0.00 -1.05 0.00 0.00 32.46 30.27 3i7l n ARG 419 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i7l n GLU 420 N 2.46 0.56 -2.14 2.89 1.02 -1.26 -4.62 120.64 119.55 3i7l n GLU 420 Ca 0.22 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.07 3i7l n GLU 420 Cb 0.08 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.04 3i7l n GLU 420 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i7l s THR 421 N -2.00 4.02 0.06 2.62 -4.23 -1.25 -4.75 115.64 110.10 3i7l s THR 421 Ca 0.27 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.21 3i7l s THR 421 Cb 0.12 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.32 3i7l s THR 421 CO 0.20 -0.73 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.13 3i7l s TYR 422 N -3.13 0.94 -0.10 3.99 1.51 -1.26 -4.83 117.35 114.47 3i7l s TYR 422 Ca 0.55 -0.49 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 3i7l s TYR 422 Cb -0.11 -0.54 -0.05 0.00 -0.11 0.00 0.00 41.96 41.15 3i7l s TYR 422 CO 0.49 -0.01 0.13 -0.40 -1.11 0.00 0.00 175.55 174.65 3i7l n ASP 423 N 1.34 2.00 -3.62 2.29 3.85 -1.26 -3.77 116.55 117.39 3i7l n ASP 423 Ca -0.22 -0.32 -0.13 0.00 -0.71 0.00 0.00 54.79 53.41 3i7l n ASP 423 Cb 0.54 1.09 -0.12 0.00 -1.35 0.00 0.00 41.12 41.28 3i7l n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3i7l s THR 424 N -1.80 -0.44 -1.02 2.12 2.01 -1.22 -1.44 115.64 113.86 3i7l s THR 424 Ca 0.00 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.14 3i7l s THR 424 Cb 0.03 -0.52 0.27 0.00 0.01 0.00 0.00 72.50 72.28 3i7l s THR 424 CO 0.17 0.05 1.07 -0.11 -0.69 0.00 0.00 174.62 175.11 3i7l n LEU 425 N 5.35 5.21 -4.64 4.42 7.94 -1.26 -4.07 117.00 129.95 3i7l n LEU 425 Ca -0.06 -5.13 -0.48 0.00 -1.11 0.00 0.00 56.01 49.23 3i7l n LEU 425 Cb 0.50 -1.28 -0.05 0.00 0.53 0.00 0.00 43.42 43.12 3i7l n LEU 425 CO 0.03 1.53 1.57 0.52 -1.11 0.00 0.00 177.39 179.93 3i7l n VAL 426 N 2.18 0.51 0.00 1.96 0.31 -1.26 -4.81 118.33 117.22 3i7l n VAL 426 Ca 0.24 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 3i7l n VAL 426 Cb 0.37 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 3i7l n VAL 426 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i7l n LEU 427 N 7.62 0.00 -3.15 7.52 4.32 -1.26 -4.59 117.00 127.47 3i7l n LEU 427 Ca 0.26 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.30 3i7l n LEU 427 Cb 0.30 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 3i7l n LEU 427 CO 0.73 0.00 0.40 -0.44 -1.22 0.00 0.00 177.39 176.86 3i7l s SER 428 N -0.87 -0.86 1.02 -1.43 0.01 -1.21 -4.49 113.70 105.87 3i7l s SER 428 Ca 0.00 0.53 -0.16 0.00 1.31 0.00 0.00 55.95 57.63 3i7l s SER 428 Cb 0.00 1.72 0.21 0.00 0.21 0.00 0.00 66.02 68.16 3i7l s SER 428 CO 0.00 -0.16 1.24 0.12 0.41 0.00 0.00 173.24 174.84 3i7l s PHE 429 N 2.91 1.45 -0.81 2.43 2.19 0.16 0.23 117.98 126.55 3i7l s PHE 429 Ca 0.09 0.45 -0.23 0.00 0.33 0.00 0.00 56.93 57.56 3i7l s PHE 429 Cb -0.12 -3.82 -0.19 0.00 -1.31 0.00 0.00 43.02 37.58 3i7l s PHE 429 CO -0.15 -2.92 2.43 0.28 1.83 0.00 0.00 175.22 176.68 3i7l n VAL 430 N -4.02 -0.02 -0.62 3.12 0.31 -1.22 -0.22 118.33 115.65 3i7l n VAL 430 Ca 0.13 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 3i7l n VAL 430 Cb 0.59 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 3i7l n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i7l n GLY 431 N 6.22 1.52 3.47 2.92 0.00 -1.26 -4.99 105.19 113.06 3i7l n GLY 431 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 3i7l n GLY 431 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7l s GLN 432 N -0.07 1.69 -0.07 1.61 -0.21 0.70 -4.19 119.66 119.12 3i7l s GLN 432 Ca 0.00 -1.94 0.03 0.00 0.02 0.00 0.00 55.36 53.47 3i7l s GLN 432 Cb 0.00 -0.97 0.01 0.00 1.00 0.00 0.00 33.01 33.05 3i7l s GLN 432 CO 0.00 -0.17 -0.17 0.99 -2.12 0.00 0.00 175.29 173.82 3i7l s THR 433 N -3.22 1.51 0.41 -0.19 2.01 0.32 0.38 115.64 116.85 3i7l s THR 433 Ca 0.36 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.69 3i7l s THR 433 Cb 0.09 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.24 3i7l s THR 433 CO 0.16 0.44 0.10 -0.13 -0.69 0.00 0.00 174.62 174.50 3i7l s ARG 434 N 0.44 1.93 -0.03 4.92 0.52 -1.26 -4.00 118.95 121.46 3i7l s ARG 434 Ca -0.14 -2.17 0.05 0.00 -0.52 0.00 0.00 55.73 52.95 3i7l s ARG 434 Cb -0.16 -0.77 -0.01 0.00 0.52 0.00 0.00 34.95 34.53 3i7l s ARG 434 CO 0.05 -0.42 -0.19 0.08 0.02 0.00 0.00 175.30 174.84 3i7l s VAL 435 N -3.18 1.53 -0.74 3.52 1.01 -1.26 -4.07 120.40 117.21 3i7l s VAL 435 Ca 0.23 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3i7l s VAL 435 Cb 0.03 -1.29 0.20 0.00 0.00 0.00 0.00 36.38 35.32 3i7l s VAL 435 CO 0.13 0.44 0.62 0.18 0.00 0.00 0.00 175.10 176.47 3i7l n LEU 436 N 2.83 3.48 -4.56 3.92 4.77 -1.26 -4.52 117.00 121.67 3i7l n LEU 436 Ca -0.16 -5.25 -0.39 0.00 -0.03 0.00 0.00 56.01 50.19 3i7l n LEU 436 Cb 0.53 -0.82 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3i7l n LEU 436 CO 0.24 1.78 1.68 -0.32 -1.33 0.00 0.00 177.39 179.44 3i7l s MET 437 N -1.68 2.62 -0.20 3.23 1.75 -1.19 -4.21 119.30 119.61 3i7l s MET 437 Ca 0.28 0.87 -0.01 0.00 -1.25 0.00 0.00 55.69 55.59 3i7l s MET 437 Cb -0.01 -4.40 0.05 0.00 2.84 0.00 0.00 34.83 33.31 3i7l s MET 437 CO -0.13 -2.73 -0.02 -1.17 -0.65 0.00 0.00 175.02 170.32 3i7l s LEU 438 N 9.40 1.80 0.00 4.11 0.20 -0.52 -2.83 118.68 130.85 3i7l s LEU 438 Ca 0.75 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 54.68 3i7l s LEU 438 Cb -0.15 -0.89 0.00 0.00 -0.43 0.00 0.00 46.19 44.72 3i7l s LEU 438 CO 0.23 -0.24 0.40 0.59 -0.29 0.00 0.00 176.35 177.04 3i7l n ASN 439 N 4.86 0.21 -0.18 3.68 4.13 -1.26 -4.47 115.26 122.24 3i7l n ASN 439 Ca -0.11 -1.02 -0.02 0.00 1.68 0.00 0.00 54.58 55.11 3i7l n ASN 439 Cb 0.46 -0.10 -0.01 0.00 -1.54 0.00 0.00 39.78 38.59 3i7l n ASN 439 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i7l n GLY 440 N 0.11 0.57 1.62 7.41 0.00 -1.26 -4.47 105.19 109.17 3i7l n GLY 440 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 3i7l n GLY 440 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i7l n GLU 441 N -2.78 0.00 -4.31 1.61 -0.58 -1.26 -4.03 120.64 109.28 3i7l n GLU 441 Ca -0.02 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 3i7l n GLU 441 Cb 0.09 -0.07 -0.13 0.00 -0.57 0.00 0.00 31.44 30.77 3i7l n GLU 441 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i7l s GLU 442 N -1.35 0.99 0.64 3.49 0.41 -1.26 -5.05 118.70 116.57 3i7l s GLU 442 Ca 0.00 -0.93 -0.04 0.00 -0.41 0.00 0.00 54.97 53.59 3i7l s GLU 442 Cb 0.00 -1.07 0.05 0.00 -1.78 0.00 0.00 34.13 31.33 3i7l s GLU 442 CO 0.00 0.25 0.91 0.08 -0.49 0.00 0.00 175.26 176.02 3i7l s VAL 443 N -1.05 2.58 -0.04 2.63 1.01 -1.26 -4.01 120.40 120.26 3i7l s VAL 443 Ca 0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 3i7l s VAL 443 Cb -0.09 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.27 3i7l s VAL 443 CO 0.02 -0.05 0.40 -0.70 0.00 0.00 0.00 175.10 174.77 3i7l s GLU 444 N -5.04 0.72 -0.59 2.72 2.12 -1.13 -4.95 118.70 112.56 3i7l s GLU 444 Ca 0.58 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.95 3i7l s GLU 444 Cb -0.11 0.33 0.40 0.00 0.26 0.00 0.00 34.13 35.02 3i7l s GLU 444 CO 0.42 -0.20 1.53 0.39 -0.54 0.00 0.00 175.26 176.87 3i7l n GLU 445 N 1.42 3.15 -3.21 4.30 1.02 -1.26 -3.19 120.64 122.87 3i7l n GLU 445 Ca -0.20 -4.01 -0.42 0.00 -0.02 0.00 0.00 57.16 52.51 3i7l n GLU 445 Cb 0.56 -2.26 -0.08 0.00 -0.02 0.00 0.00 31.44 29.64 3i7l n GLU 445 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i7l s THR 446 N -5.20 4.97 0.54 2.62 -4.23 -1.26 -5.04 115.64 108.04 3i7l s THR 446 Ca 0.51 0.23 -0.14 0.00 -1.18 0.00 0.00 61.69 61.12 3i7l s THR 446 Cb 0.43 -4.03 -0.06 0.00 1.34 0.00 0.00 72.50 70.17 3i7l s THR 446 CO -0.22 -0.33 0.98 -1.83 -0.54 0.00 0.00 174.62 172.68 3i7l s GLU 447 N 2.48 3.80 0.34 3.99 -1.05 -1.26 -4.75 118.70 122.25 3i7l s GLU 447 Ca 0.19 0.82 0.08 0.00 -0.15 0.00 0.00 54.97 55.92 3i7l s GLU 447 Cb -0.15 -2.14 -0.04 0.00 -0.44 0.00 0.00 34.13 31.36 3i7l s GLU 447 CO 0.15 -0.36 0.18 -1.17 0.95 0.00 0.00 175.26 175.01 3i7l s LEU 448 N -4.47 3.34 0.12 1.83 2.96 -1.26 -5.07 118.68 116.13 3i7l s LEU 448 Ca 0.57 -0.70 -0.31 0.00 -0.22 0.00 0.00 54.13 53.46 3i7l s LEU 448 Cb -0.10 -1.85 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 3i7l s LEU 448 CO 0.40 -0.31 1.60 -0.04 -1.32 0.00 0.00 176.35 176.67 3i7l s MET 449 N -3.88 4.21 0.00 1.98 -1.94 -1.26 -3.60 119.30 114.81 3i7l s MET 449 Ca 0.38 2.33 0.00 0.00 -1.71 0.00 0.00 55.69 56.70 3i7l s MET 449 Cb -0.03 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.46 3i7l s MET 449 CO 0.24 -0.65 0.00 0.41 -0.01 0.00 0.00 175.02 175.00 3i7l n GLY 450 N 3.84 1.63 2.34 -0.03 0.00 -1.26 -4.79 105.19 106.92 3i7l n GLY 450 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3i7l n GLY 450 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i7l n PHE 451 N -1.43 1.95 -1.44 1.61 3.01 -1.24 -4.93 117.46 114.99 3i7l n PHE 451 Ca 0.00 -2.56 -0.56 0.00 1.01 0.00 0.00 57.45 55.33 3i7l n PHE 451 Cb 0.00 -1.96 -0.08 0.00 -0.01 0.00 0.00 39.48 37.43 3i7l n PHE 451 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 3i7l n VAL 452 N 2.36 0.00 0.40 -4.37 0.24 -1.26 -4.71 118.33 111.00 3i7l n VAL 452 Ca 0.63 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.93 3i7l n VAL 452 Cb 0.40 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 3i7l n VAL 452 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3i7l n ASP 453 N 2.75 0.01 -0.20 -1.34 3.85 -1.26 -2.17 116.55 118.19 3i7l n ASP 453 Ca 0.24 -0.41 0.04 0.00 -0.71 0.00 0.00 54.79 53.95 3i7l n ASP 453 Cb -0.01 -0.00 0.05 0.00 -1.35 0.00 0.00 41.12 39.81 3i7l n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3i7l n ASP 454 N -0.48 1.16 -0.69 -1.12 3.85 -1.26 -4.41 116.55 113.60 3i7l n ASP 454 Ca 0.00 -2.26 0.00 0.00 -0.71 0.00 0.00 54.79 51.82 3i7l n ASP 454 Cb 0.00 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 3i7l n ASP 454 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i7l n GLN 455 N -0.60 1.58 -3.76 0.11 1.13 -0.92 -4.83 117.38 110.08 3i7l n GLN 455 Ca 0.06 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.99 3i7l n GLN 455 Cb 0.58 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.81 3i7l n GLN 455 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3i7l s GLN 456 N -0.37 0.24 0.06 -1.09 0.74 -1.26 0.12 119.66 118.09 3i7l s GLN 456 Ca 0.00 0.44 -0.19 0.00 0.05 0.00 0.00 55.36 55.66 3i7l s GLN 456 Cb 0.00 -0.01 -0.06 0.00 1.10 0.00 0.00 33.01 34.04 3i7l s GLN 456 CO 0.00 -0.10 0.56 0.99 -0.55 0.00 0.00 175.29 176.18 3i7l s THR 457 N 0.75 4.78 -0.19 -0.34 2.01 -1.26 -0.96 115.64 120.43 3i7l s THR 457 Ca -0.05 1.19 -0.05 0.00 0.31 0.00 0.00 61.69 63.08 3i7l s THR 457 Cb -0.06 -3.88 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 3i7l s THR 457 CO -0.05 0.54 -0.21 0.49 -0.69 0.00 0.00 174.62 174.71 3i7l n PHE 458 N 1.82 0.00 -4.18 4.92 3.72 0.29 -4.91 117.46 119.12 3i7l n PHE 458 Ca -0.10 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.17 3i7l n PHE 458 Cb 0.51 -0.69 -0.10 0.00 -0.94 0.00 0.00 39.48 38.25 3i7l n PHE 458 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3i7l s PHE 459 N -2.36 1.03 -0.38 1.38 5.36 -1.25 -4.92 117.98 116.84 3i7l s PHE 459 Ca -0.26 -0.76 0.08 0.00 -0.96 0.00 0.00 56.93 55.03 3i7l s PHE 459 Cb 0.09 -0.56 0.32 0.00 -0.34 0.00 0.00 43.02 42.53 3i7l s PHE 459 CO 0.37 -0.04 1.30 0.00 -1.46 0.00 0.00 175.22 175.39 3i7l s GLY 461 N -1.00 1.62 -1.00 0.00 0.00 -1.26 -4.71 107.32 100.97 3i7l s GLY 461 Ca 0.18 -0.63 -0.23 0.00 0.00 0.00 0.00 44.72 44.03 3i7l s GLY 461 CO -0.08 -0.31 1.93 0.70 0.00 0.00 0.00 173.10 175.34 3i7l n ASN 462 N -2.74 2.64 -4.68 1.64 5.03 -1.26 -4.56 115.26 111.33 3i7l n ASN 462 Ca 0.06 -2.66 -0.42 0.00 0.87 0.00 0.00 54.58 52.42 3i7l n ASN 462 Cb 0.58 -1.51 -0.03 0.00 -1.02 0.00 0.00 39.78 37.80 3i7l n ASN 462 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3i7l s VAL 463 N 9.92 4.79 0.25 2.41 -7.23 -1.26 -4.80 120.40 124.48 3i7l s VAL 463 Ca 0.67 1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 62.70 3i7l s VAL 463 Cb 0.04 -4.25 0.06 0.00 0.56 0.00 0.00 36.38 32.79 3i7l s VAL 463 CO 0.15 -0.03 0.18 0.00 -0.31 0.00 0.00 175.10 175.09 3i7l n ALA 464 N 5.38 -0.84 -2.28 1.32 0.00 -1.24 -4.15 120.51 118.70 3i7l n ALA 464 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3i7l n ALA 464 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3i7l n ALA 464 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3i7l n HIS 465 N -3.30 -0.51 -3.48 0.00 8.25 -1.26 -4.07 115.22 110.85 3i7l n HIS 465 Ca 0.03 0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.33 3i7l n HIS 465 Cb 0.11 -2.24 0.06 0.00 1.12 0.00 0.00 29.99 29.04 3i7l n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i7l n GLN 466 N -1.87 -2.19 -3.80 -0.41 6.02 -1.26 -4.59 117.38 109.29 3i7l n GLN 466 Ca -0.08 0.67 -0.13 0.00 -0.01 0.00 0.00 57.00 57.45 3i7l n GLN 466 Cb 0.57 -5.05 -0.10 0.00 1.02 0.00 0.00 30.24 26.68 3i7l n GLN 466 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i7l s GLN 467 N -5.24 0.52 -0.87 -1.09 -0.21 -1.26 -1.00 119.66 110.52 3i7l s GLN 467 Ca 0.41 -0.10 -0.06 0.00 0.02 0.00 0.00 55.36 55.63 3i7l s GLN 467 Cb -0.10 0.23 0.22 0.00 1.00 0.00 0.00 33.01 34.36 3i7l s GLN 467 CO 0.80 -0.13 0.78 -0.51 -2.12 0.00 0.00 175.29 174.11 3i7l s LEU 468 N -0.95 5.92 0.76 2.90 1.02 -0.13 -4.54 118.68 123.66 3i7l s LEU 468 Ca -0.10 -3.29 -0.15 0.00 0.02 0.00 0.00 54.13 50.60 3i7l s LEU 468 Cb -0.05 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.13 3i7l s LEU 468 CO 0.02 -0.33 0.72 0.00 0.02 0.00 0.00 176.35 176.79 3i7l n ILE 469 N 3.01 1.89 -2.69 -0.59 0.13 -1.26 -4.25 119.36 115.59 3i7l n ILE 469 Ca 0.17 -0.34 -0.08 0.00 -1.10 0.00 0.00 62.75 61.41 3i7l n ILE 469 Cb 0.40 -0.88 0.10 0.00 -0.84 0.00 0.00 39.64 38.41 3i7l n ILE 469 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 3i7l n GLN 470 N -1.47 1.18 -1.46 9.51 7.27 -1.26 -4.71 117.38 126.44 3i7l n GLN 470 Ca 0.11 -2.17 -0.45 0.00 0.07 0.00 0.00 57.00 54.56 3i7l n GLN 470 Cb 0.50 -0.36 -0.10 0.00 2.41 0.00 0.00 30.24 32.70 3i7l n GLN 470 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3i7l n ILE 471 N -0.45 0.02 -3.35 1.69 5.41 -1.22 -3.61 119.36 117.86 3i7l n ILE 471 Ca 0.00 -0.24 -0.21 0.00 1.00 0.00 0.00 62.75 63.31 3i7l n ILE 471 Cb 0.84 -1.27 0.04 0.00 -0.71 0.00 0.00 39.64 38.55 3i7l n ILE 471 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 3i7l n THR 472 N 7.41 0.00 0.37 1.39 5.66 -1.26 -0.55 114.28 127.30 3i7l n THR 472 Ca 0.53 -1.97 -0.15 0.00 -3.05 0.00 0.00 64.05 59.41 3i7l n THR 472 Cb 0.18 -0.35 -0.07 0.00 -1.55 0.00 0.00 70.33 68.54 3i7l n THR 472 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 3i7l h SER 473 N 0.29 -0.85 -0.43 1.09 4.64 -1.33 -3.22 113.55 113.74 3i7l h SER 473 Ca -0.29 0.03 0.04 0.00 -0.47 0.00 0.00 61.79 61.11 3i7l h SER 473 Cb 1.22 0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 63.47 3i7l h SER 473 CO 0.43 -0.58 -0.37 0.00 -0.87 0.00 0.00 176.83 175.43 3i7l h ALA 474 N -1.51 -0.51 0.00 5.18 0.00 -1.87 -2.40 119.26 118.16 3i7l h ALA 474 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i7l h ALA 474 Cb 0.74 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.63 3i7l h ALA 474 CO 0.14 -0.72 0.00 -1.13 0.00 0.00 0.00 179.25 177.54 3i7l n SER 475 N -4.46 0.00 -2.39 0.00 3.41 -1.22 -3.41 113.62 105.55 3i7l n SER 475 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 3i7l n SER 475 Cb 0.20 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 3i7l n SER 475 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3i7l n VAL 476 N -0.81 0.00 -3.98 -3.33 3.14 -1.26 -4.36 118.33 107.73 3i7l n VAL 476 Ca 0.00 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.13 3i7l n VAL 476 Cb 0.00 -0.12 -0.04 0.00 -1.06 0.00 0.00 33.84 32.62 3i7l n VAL 476 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3i7l s ARG 477 N 0.74 2.29 -0.09 1.45 0.52 -1.24 -1.89 118.95 120.74 3i7l s ARG 477 Ca 0.50 -1.89 -0.03 0.00 -0.52 0.00 0.00 55.73 53.79 3i7l s ARG 477 Cb -0.71 -2.06 0.05 0.00 0.52 0.00 0.00 34.95 32.74 3i7l s ARG 477 CO 0.36 -0.33 0.17 -1.17 0.02 0.00 0.00 175.30 174.35 3i7l s LEU 478 N -4.08 0.14 -0.13 2.53 2.96 -1.13 -3.98 118.68 115.00 3i7l s LEU 478 Ca 0.37 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3i7l s LEU 478 Cb 0.00 0.38 0.02 0.00 0.50 0.00 0.00 46.19 47.09 3i7l s LEU 478 CO 0.22 -0.21 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.22 3i7l s VAL 479 N 1.94 1.39 0.52 1.68 1.01 -1.26 -0.65 120.40 125.04 3i7l s VAL 479 Ca -0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 3i7l s VAL 479 Cb -0.12 -1.33 -0.07 0.00 0.00 0.00 0.00 36.38 34.87 3i7l s VAL 479 CO -0.06 0.43 1.02 -0.55 0.00 0.00 0.00 175.10 175.93 3i7l s SER 480 N 1.45 6.31 0.00 3.32 0.15 -1.13 -0.96 113.70 122.84 3i7l s SER 480 Ca 0.03 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.44 3i7l s SER 480 Cb -0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 3i7l s SER 480 CO -0.08 -0.80 0.90 0.00 1.20 0.00 0.00 173.24 174.45 3i7l n GLN 481 N -1.45 0.00 0.09 5.44 1.13 -0.17 -1.59 117.38 120.83 3i7l n GLN 481 Ca 0.08 0.46 -0.05 0.00 -1.94 0.00 0.00 57.00 55.56 3i7l n GLN 481 Cb 0.53 -1.40 -0.02 0.00 0.11 0.00 0.00 30.24 29.46 3i7l n GLN 481 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3i7l h GLU 482 N 0.00 -0.29 -0.92 -1.09 4.22 -1.95 -3.35 114.58 111.20 3i7l h GLU 482 Ca 0.00 0.02 0.18 0.00 0.08 0.00 0.00 59.36 59.64 3i7l h GLU 482 Cb 0.00 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 3i7l h GLU 482 CO 0.00 -0.19 0.59 -1.35 -2.18 0.00 0.00 179.01 175.88 3i7l h PRO 483 N -0.95 0.55 0.00 0.92 0.11 -1.91 -3.45 132.00 127.27 3i7l h PRO 483 Ca -0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3i7l h PRO 483 Cb 0.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3i7l h PRO 483 CO 0.05 0.36 0.00 1.17 -0.21 0.00 0.00 178.00 179.37 3i7l n LYS 484 N -4.58 0.00 -2.84 1.05 3.00 -0.62 -4.89 118.16 109.28 3i7l n LYS 484 Ca 0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.19 3i7l n LYS 484 Cb 0.60 -4.13 -0.04 0.00 0.00 0.00 0.00 35.03 31.46 3i7l n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i7l s ALA 485 N -1.46 3.27 -0.41 3.14 0.00 -1.26 -4.48 121.76 120.56 3i7l s ALA 485 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.66 3i7l s ALA 485 Cb 0.00 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3i7l s ALA 485 CO 0.00 0.05 2.21 -1.17 0.00 0.00 0.00 175.76 176.85 3i7l s LEU 486 N -3.62 3.41 0.00 0.00 2.96 -1.26 -2.86 118.68 117.31 3i7l s LEU 486 Ca 0.54 1.26 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 3i7l s LEU 486 Cb -0.10 -2.93 0.00 0.00 0.50 0.00 0.00 46.19 43.66 3i7l s LEU 486 CO 0.26 -2.41 0.00 0.52 -1.32 0.00 0.00 176.35 173.40 3i7l n VAL 487 N 7.76 0.00 -3.59 1.68 0.31 0.18 -5.00 118.33 119.67 3i7l n VAL 487 Ca 0.31 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.40 3i7l n VAL 487 Cb 0.51 -0.40 0.01 0.00 -0.91 0.00 0.00 33.84 33.05 3i7l n VAL 487 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3i7l s SER 488 N -1.42 4.83 0.27 4.52 1.04 -1.26 -4.98 113.70 116.70 3i7l s SER 488 Ca 0.00 -1.06 -0.17 0.00 0.48 0.00 0.00 55.95 55.20 3i7l s SER 488 Cb 0.00 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.36 3i7l s SER 488 CO 0.00 -1.10 0.60 -1.61 0.98 0.00 0.00 173.24 172.11 3i7l s GLU 489 N -4.37 1.69 0.28 4.02 2.02 -1.26 -2.83 118.70 118.25 3i7l s GLU 489 Ca 0.44 -1.13 0.08 0.00 0.02 0.00 0.00 54.97 54.38 3i7l s GLU 489 Cb -0.03 0.54 -0.06 0.00 0.10 0.00 0.00 34.13 34.68 3i7l s GLU 489 CO 0.27 -0.74 -0.11 -0.46 0.02 0.00 0.00 175.26 174.25 3i7l s TRP 490 N -3.93 2.04 -0.28 1.61 -0.00 -0.79 -4.99 118.94 112.61 3i7l s TRP 490 Ca 0.17 -0.57 -0.23 0.00 -0.00 0.00 0.00 56.10 55.47 3i7l s TRP 490 Cb -0.03 -1.08 0.12 0.00 -0.00 0.00 0.00 33.47 32.48 3i7l s TRP 490 CO 0.08 0.43 0.99 0.21 -0.00 0.00 0.00 176.95 178.66 3i7l s LYS 491 N -3.65 0.50 -0.15 5.86 2.47 -1.26 -4.66 119.74 118.84 3i7l s LYS 491 Ca 0.29 0.66 -0.29 0.00 -1.56 0.00 0.00 55.97 55.06 3i7l s LYS 491 Cb 0.01 0.21 -0.01 0.00 -1.46 0.00 0.00 37.83 36.58 3i7l s LYS 491 CO 0.12 -0.07 1.16 -1.21 0.16 0.00 0.00 175.35 175.52 3i7l s GLU 492 N 0.55 4.28 0.34 4.03 0.41 -1.22 -4.88 118.70 122.21 3i7l s GLU 492 Ca -0.00 1.55 0.30 0.00 -0.41 0.00 0.00 54.97 56.41 3i7l s GLU 492 Cb -0.05 -3.67 1.06 0.00 -1.78 0.00 0.00 34.13 29.70 3i7l s GLU 492 CO -0.09 -0.59 0.97 -2.30 -0.49 0.00 0.00 175.26 172.76 3i7l n PRO 493 N 6.08 -0.00 0.00 0.39 -0.02 -1.26 -2.79 135.00 137.39 3i7l n PRO 493 Ca 0.12 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3i7l n PRO 493 Cb 0.46 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3i7l n PRO 493 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7l n GLN 494 N -3.27 0.00 -0.72 -0.52 1.13 -1.26 -4.99 117.38 107.75 3i7l n GLN 494 Ca 0.27 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.31 3i7l n GLN 494 Cb 1.22 -0.07 -0.02 0.00 0.11 0.00 0.00 30.24 31.48 3i7l n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7l n ALA 495 N -2.49 0.26 -2.48 -1.58 0.00 -1.12 -5.16 120.51 107.95 3i7l n ALA 495 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 3i7l n ALA 495 Cb 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 3i7l n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i7l s LYS 496 N 0.00 2.31 0.09 0.00 1.02 -1.26 -5.01 119.74 116.89 3i7l s LYS 496 Ca 0.00 -1.64 0.01 0.00 0.02 0.00 0.00 55.97 54.36 3i7l s LYS 496 Cb 0.01 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 3i7l s LYS 496 CO -0.00 0.04 -0.06 0.54 -0.92 0.00 0.00 175.35 174.95 3i7l s ASN 497 N -3.86 1.01 0.26 2.83 4.22 -1.26 -3.46 114.94 114.67 3i7l s ASN 497 Ca 0.39 -1.00 -0.30 0.00 -2.14 0.00 0.00 52.86 49.81 3i7l s ASN 497 Cb -0.01 0.12 -0.10 0.00 1.28 0.00 0.00 41.25 42.54 3i7l s ASN 497 CO 0.23 -0.49 1.48 -0.63 -2.04 0.00 0.00 177.10 175.64 3i7l s ILE 498 N -3.68 2.51 -0.07 0.54 1.01 -0.90 -4.55 121.20 116.05 3i7l s ILE 498 Ca 0.11 0.43 0.09 0.00 0.00 0.00 0.00 60.65 61.27 3i7l s ILE 498 Cb 0.06 -3.27 -0.12 0.00 0.01 0.00 0.00 42.46 39.13 3i7l s ILE 498 CO -0.06 0.07 0.07 -1.54 0.00 0.00 0.00 174.94 173.48 3i7l n SER 499 N 2.26 2.74 -3.57 3.58 3.41 -0.59 -4.70 113.62 116.75 3i7l n SER 499 Ca 0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.43 3i7l n SER 499 Cb 0.39 0.88 -0.16 0.00 -0.26 0.00 0.00 64.21 65.07 3i7l n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i7l s VAL 500 N -2.32 -0.14 1.18 -3.33 1.01 -1.08 -5.03 120.40 110.69 3i7l s VAL 500 Ca -0.04 -0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 3i7l s VAL 500 Cb 0.03 -0.66 0.29 0.00 0.00 0.00 0.00 36.38 36.04 3i7l s VAL 500 CO 0.38 -0.34 1.02 0.00 0.00 0.00 0.00 175.10 176.16 3i7l n ALA 501 N 5.28 -3.38 0.00 5.51 0.00 -1.26 -2.19 120.51 124.48 3i7l n ALA 501 Ca -0.06 -1.53 0.00 0.00 0.00 0.00 0.00 53.44 51.84 3i7l n ALA 501 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.82 3i7l n ALA 501 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i7l n SER 502 N -4.84 0.00 -1.58 0.00 2.88 -1.26 -4.57 113.62 104.26 3i7l n SER 502 Ca 0.14 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.66 3i7l n SER 502 Cb 0.56 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.02 3i7l n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i7l n ASN 504 N -0.97 0.00 0.00 0.00 0.23 -1.26 -4.64 115.26 108.61 3i7l n ASN 504 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.03 3i7l n ASN 504 Cb 0.17 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 3i7l n ASN 504 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3i7l n SER 505 N -1.88 0.00 -0.04 0.53 2.88 -1.26 -4.52 113.62 109.34 3i7l n SER 505 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 3i7l n SER 505 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i7l n SER 505 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i7l n SER 506 N 0.00 0.00 -4.42 -3.46 3.41 -1.26 -3.73 113.62 104.16 3i7l n SER 506 Ca 0.00 -1.02 -0.23 0.00 -0.26 0.00 0.00 58.87 57.36 3i7l n SER 506 Cb 0.41 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 3i7l n SER 506 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3i7l s GLN 507 N 0.00 1.53 -0.49 4.33 -0.21 -1.26 -4.13 119.66 119.42 3i7l s GLN 507 Ca 0.00 -1.64 0.04 0.00 0.02 0.00 0.00 55.36 53.78 3i7l s GLN 507 Cb 0.00 -1.60 0.16 0.00 1.00 0.00 0.00 33.01 32.57 3i7l s GLN 507 CO 0.00 0.31 0.37 0.08 -2.12 0.00 0.00 175.29 173.92 3i7l s VAL 508 N -2.38 1.15 -1.08 1.09 1.01 -1.15 -4.67 120.40 114.37 3i7l s VAL 508 Ca 0.25 -3.04 -0.06 0.00 0.00 0.00 0.00 61.98 59.13 3i7l s VAL 508 Cb -0.05 -1.78 0.29 0.00 0.00 0.00 0.00 36.38 34.84 3i7l s VAL 508 CO 0.11 -1.12 1.29 0.52 0.00 0.00 0.00 175.10 175.89 3i7l n VAL 509 N 2.74 4.87 -3.02 2.92 0.31 -0.92 -0.83 118.33 124.40 3i7l n VAL 509 Ca 0.24 -5.66 0.00 0.00 -0.01 0.00 0.00 64.34 58.91 3i7l n VAL 509 Cb 0.42 -2.31 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 3i7l n VAL 509 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3i7l n VAL 510 N 1.93 0.00 -3.77 2.52 0.24 -1.26 -4.02 118.33 113.97 3i7l n VAL 510 Ca 0.25 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.42 3i7l n VAL 510 Cb 0.36 -0.71 -0.12 0.00 -1.47 0.00 0.00 33.84 31.90 3i7l n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i7l s ALA 511 N -2.00 -0.59 -0.33 2.33 0.00 -0.93 -3.02 121.76 117.21 3i7l s ALA 511 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3i7l s ALA 511 Cb 0.00 -0.47 0.08 0.00 0.00 0.00 0.00 23.12 22.73 3i7l s ALA 511 CO 0.00 -0.14 0.05 0.08 0.00 0.00 0.00 175.76 175.74 3i7l s VAL 512 N 0.48 2.65 0.00 0.00 1.01 0.23 -1.55 120.40 123.22 3i7l s VAL 512 Ca -0.03 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.01 3i7l s VAL 512 Cb -0.04 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3i7l s VAL 512 CO -0.02 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.28 3i7l n GLY 513 N 4.45 2.05 0.04 4.51 0.00 -1.26 0.21 105.19 115.18 3i7l n GLY 513 Ca -0.05 0.43 0.12 0.00 0.00 0.00 0.00 46.02 46.52 3i7l n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7l n ARG 514 N 3.85 0.22 -2.52 1.61 1.74 -1.26 -3.03 116.66 117.27 3i7l n ARG 514 Ca 0.00 0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.77 3i7l n ARG 514 Cb 0.00 -1.61 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 3i7l n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i7l s ALA 515 N -3.13 2.94 -0.18 7.54 0.00 0.13 -0.74 121.76 128.31 3i7l s ALA 515 Ca 0.07 0.67 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 3i7l s ALA 515 Cb 0.15 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 20.05 3i7l s ALA 515 CO 0.74 -0.32 0.04 -0.51 0.00 0.00 0.00 175.76 175.72 3i7l s LEU 516 N -3.19 1.01 0.00 0.00 1.43 -1.04 -0.60 118.68 116.30 3i7l s LEU 516 Ca 0.64 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3i7l s LEU 516 Cb -0.19 -0.53 0.00 0.00 0.03 0.00 0.00 46.19 45.50 3i7l s LEU 516 CO 0.24 -0.30 0.00 -1.22 0.23 0.00 0.00 176.35 175.29 3i7l n TYR 517 N 5.09 0.00 0.00 0.29 4.02 -1.17 -2.98 117.16 122.42 3i7l n TYR 517 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3i7l n TYR 517 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 3i7l n TYR 517 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3i7l n TYR 518 N 0.00 0.00 -3.99 -0.72 -0.00 -1.25 -4.58 117.16 106.62 3i7l n TYR 518 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.59 3i7l n TYR 518 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 3i7l n TYR 518 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3i7l s LEU 519 N 0.00 3.69 -0.28 2.98 1.43 -0.01 -2.76 118.68 123.74 3i7l s LEU 519 Ca 0.00 -1.70 -0.29 0.00 -1.03 0.00 0.00 54.13 51.11 3i7l s LEU 519 Cb 0.00 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3i7l s LEU 519 CO 0.00 -0.30 1.16 -1.10 0.23 0.00 0.00 176.35 176.33 3i7l s GLN 520 N 1.13 4.08 -1.19 1.70 -0.21 -0.64 -2.95 119.66 121.58 3i7l s GLN 520 Ca 0.02 1.25 -0.12 0.00 0.02 0.00 0.00 55.36 56.53 3i7l s GLN 520 Cb -0.19 -3.76 0.20 0.00 1.00 0.00 0.00 33.01 30.26 3i7l s GLN 520 CO -0.09 -0.89 1.38 -0.89 -2.12 0.00 0.00 175.29 172.68 3i7l n ILE 521 N 5.80 4.37 0.00 1.08 2.08 -1.26 0.16 119.36 131.60 3i7l n ILE 521 Ca 0.13 -4.92 0.00 0.00 0.56 0.00 0.00 62.75 58.52 3i7l n ILE 521 Cb 0.46 -2.48 0.00 0.00 -0.75 0.00 0.00 39.64 36.87 3i7l n ILE 521 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 3i7l n HIS 522 N 4.65 -0.08 -1.29 1.39 8.25 -1.26 -4.61 115.22 122.25 3i7l n HIS 522 Ca 0.33 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.71 3i7l n HIS 522 Cb 0.41 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.45 3i7l n HIS 522 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3i7l n PRO 523 N 0.00 0.07 -3.62 -0.41 -0.02 -1.26 -3.85 135.00 125.91 3i7l n PRO 523 Ca 0.00 -0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 60.54 3i7l n PRO 523 Cb 0.00 -2.22 0.05 0.00 -0.02 0.00 0.00 33.50 31.31 3i7l n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i7l n GLN 524 N 6.17 -1.34 0.00 -0.52 6.02 -1.26 -5.00 117.38 121.45 3i7l n GLN 524 Ca 0.24 0.53 0.00 0.00 -0.01 0.00 0.00 57.00 57.76 3i7l n GLN 524 Cb 0.45 -4.33 0.00 0.00 1.02 0.00 0.00 30.24 27.38 3i7l n GLN 524 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3i7l n GLU 525 N -4.01 0.00 -3.64 -1.09 -0.00 -1.25 -4.52 120.64 106.12 3i7l n GLU 525 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.00 3i7l n GLU 525 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 31.44 31.96 3i7l n GLU 525 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3i7l s LEU 526 N 0.00 -0.92 -0.37 -1.84 1.02 -1.19 -4.39 118.68 110.98 3i7l s LEU 526 Ca 0.00 1.49 0.02 0.00 0.02 0.00 0.00 54.13 55.66 3i7l s LEU 526 Cb 0.00 2.34 0.15 0.00 0.02 0.00 0.00 46.19 48.70 3i7l s LEU 526 CO 0.00 -0.24 0.27 -0.60 0.02 0.00 0.00 176.35 175.81 3i7l s ARG 527 N 1.71 0.65 0.75 1.70 3.52 0.43 -4.77 118.95 122.94 3i7l s ARG 527 Ca -0.10 -1.44 -0.13 0.00 -0.13 0.00 0.00 55.73 53.93 3i7l s ARG 527 Cb -0.06 -1.22 0.05 0.00 -1.56 0.00 0.00 34.95 32.17 3i7l s ARG 527 CO -0.20 -1.25 1.15 -1.14 -0.81 0.00 0.00 175.30 173.05 3i7l s GLN 528 N 0.88 2.13 0.00 5.12 0.74 -1.25 -1.62 119.66 125.66 3i7l s GLN 528 Ca 0.22 1.51 0.00 0.00 0.05 0.00 0.00 55.36 57.14 3i7l s GLN 528 Cb -0.15 -1.86 0.00 0.00 1.10 0.00 0.00 33.01 32.10 3i7l s GLN 528 CO -0.04 -1.79 0.00 -0.89 -0.55 0.00 0.00 175.29 172.02 3i7l n ILE 529 N -3.07 0.00 -4.32 -2.34 2.08 -1.11 -4.92 119.36 105.68 3i7l n ILE 529 Ca 0.11 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.19 3i7l n ILE 529 Cb 0.52 -0.14 -0.08 0.00 -0.75 0.00 0.00 39.64 39.18 3i7l n ILE 529 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3i7l s SER 530 N -3.10 4.29 -0.28 4.38 1.04 -1.26 -5.08 113.70 113.68 3i7l s SER 530 Ca 0.00 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.45 3i7l s SER 530 Cb 0.00 -0.66 0.09 0.00 0.10 0.00 0.00 66.02 65.56 3i7l s SER 530 CO 0.00 -0.07 0.76 -2.28 0.98 0.00 0.00 173.24 172.62 3i7l s HIS 531 N -2.41 -0.94 0.00 5.02 5.04 -1.26 -4.19 115.29 116.55 3i7l s HIS 531 Ca 0.32 1.90 0.00 0.00 -1.54 0.00 0.00 55.06 55.75 3i7l s HIS 531 Cb -0.04 0.55 0.00 0.00 0.04 0.00 0.00 32.58 33.13 3i7l s HIS 531 CO 0.19 -0.46 0.00 2.41 -2.34 0.00 0.00 174.74 174.54 3i7l n THR 532 N 4.06 0.00 -3.79 0.89 -1.04 -1.16 -5.04 114.28 108.20 3i7l n THR 532 Ca -0.19 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.69 3i7l n THR 532 Cb 0.58 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.98 3i7l n THR 532 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3i7l s GLU 533 N -1.82 0.28 0.19 -2.82 2.12 -1.26 -2.48 118.70 112.91 3i7l s GLU 533 Ca 0.00 0.33 -0.09 0.00 0.36 0.00 0.00 54.97 55.57 3i7l s GLU 533 Cb 0.00 0.14 -0.07 0.00 0.26 0.00 0.00 34.13 34.46 3i7l s GLU 533 CO 0.00 -0.03 0.50 -1.64 -0.54 0.00 0.00 175.26 173.54 3i7l s MET 534 N 0.12 3.78 0.50 4.30 -1.94 0.08 -4.96 119.30 121.17 3i7l s MET 534 Ca -0.00 0.21 0.26 0.00 -1.71 0.00 0.00 55.69 54.44 3i7l s MET 534 Cb -0.02 -2.76 1.31 0.00 2.01 0.00 0.00 34.83 35.38 3i7l s MET 534 CO 0.00 0.39 2.02 1.05 -0.01 0.00 0.00 175.02 178.48 3i7l h GLU 535 N 2.84 0.00 -5.13 2.03 4.11 -2.02 -3.45 114.58 112.96 3i7l h GLU 535 Ca -0.47 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.37 3i7l h GLU 535 Cb 1.17 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 3i7l h GLU 535 CO 0.69 0.15 -0.53 -1.01 0.07 0.00 0.00 179.01 178.39 3i7l s HIS 536 N -4.13 1.86 -0.06 2.06 3.76 -1.26 -5.10 115.29 112.41 3i7l s HIS 536 Ca -0.02 -1.13 -0.30 0.00 -0.15 0.00 0.00 55.06 53.46 3i7l s HIS 536 Cb 0.13 -1.34 -0.03 0.00 1.11 0.00 0.00 32.58 32.45 3i7l s HIS 536 CO 0.60 -0.07 1.17 -2.00 -0.85 0.00 0.00 174.74 173.59 3i7l s GLU 537 N -3.78 4.37 0.01 1.40 2.12 -1.26 -4.51 118.70 117.05 3i7l s GLU 537 Ca 0.19 1.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 3i7l s GLU 537 Cb 0.03 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 3i7l s GLU 537 CO 0.11 -0.42 1.33 0.08 -0.54 0.00 0.00 175.26 175.82 3i7l s VAL 538 N 2.13 3.83 -0.22 3.70 1.01 -1.17 -0.72 120.40 128.97 3i7l s VAL 538 Ca 0.55 1.23 0.07 0.00 0.00 0.00 0.00 61.98 63.83 3i7l s VAL 538 Cb -0.24 -3.79 -0.21 0.00 0.00 0.00 0.00 36.38 32.14 3i7l s VAL 538 CO 0.22 0.02 -0.04 0.00 0.00 0.00 0.00 175.10 175.30 3i7l n ALA 539 N 5.00 1.41 -3.51 5.51 0.00 0.26 -4.89 120.51 124.29 3i7l n ALA 539 Ca 0.12 -1.11 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 3i7l n ALA 539 Cb 0.44 -0.22 -0.02 0.00 0.00 0.00 0.00 19.45 19.66 3i7l n ALA 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i7l s LEU 541 N -2.72 1.55 -0.03 0.00 1.43 -1.26 -1.43 118.68 116.22 3i7l s LEU 541 Ca 0.04 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3i7l s LEU 541 Cb -0.02 0.57 0.02 0.00 0.03 0.00 0.00 46.19 46.80 3i7l s LEU 541 CO -0.09 -0.24 0.00 -0.62 0.23 0.00 0.00 176.35 175.63 3i7l s ASP 542 N -0.80 0.36 -0.15 2.29 3.68 -0.15 -4.72 116.67 117.18 3i7l s ASP 542 Ca -0.09 -0.02 -0.14 0.00 2.13 0.00 0.00 52.55 54.43 3i7l s ASP 542 Cb -0.05 -0.19 0.04 0.00 -1.45 0.00 0.00 42.92 41.27 3i7l s ASP 542 CO 0.01 -0.09 0.39 0.27 0.13 0.00 0.00 175.17 175.88 3i7l s ILE 543 N 0.91 0.00 -0.14 4.11 -5.25 -1.26 -1.75 121.20 117.82 3i7l s ILE 543 Ca -0.09 -0.00 -0.30 0.00 -0.99 0.00 0.00 60.65 59.27 3i7l s ILE 543 Cb -0.12 -0.55 0.11 0.00 2.95 0.00 0.00 42.46 44.85 3i7l s ILE 543 CO -0.02 -0.00 0.92 -0.89 -1.79 0.00 0.00 174.94 173.16 3i7l s THR 544 N 0.19 0.00 -0.60 8.37 2.01 -1.26 -4.28 115.64 120.06 3i7l s THR 544 Ca -0.00 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 3i7l s THR 544 Cb -0.03 -1.00 -0.15 0.00 0.01 0.00 0.00 72.50 71.34 3i7l s THR 544 CO 0.01 0.00 1.76 -2.65 -0.69 0.00 0.00 174.62 173.04 3i7l n PRO 545 N 0.85 0.00 -3.55 4.92 -0.02 -1.26 -4.68 135.00 131.25 3i7l n PRO 545 Ca -0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.06 3i7l n PRO 545 Cb 0.58 -1.03 -0.14 0.00 -0.02 0.00 0.00 33.50 32.88 3i7l n PRO 545 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i7l s LEU 546 N 5.67 0.89 0.00 2.45 1.43 -1.26 -4.90 118.68 122.96 3i7l s LEU 546 Ca 0.91 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3i7l s LEU 546 Cb -0.91 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 44.88 3i7l s LEU 546 CO 0.37 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3i7l n GLY 547 N 4.87 1.49 1.25 -3.19 0.00 -1.26 -4.73 105.19 103.63 3i7l n GLY 547 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 3i7l n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7l n ASP 548 N 0.00 -0.13 -4.91 1.61 3.85 -1.26 -5.13 116.55 110.58 3i7l n ASP 548 Ca 0.00 -2.00 -0.29 0.00 -0.71 0.00 0.00 54.79 51.78 3i7l n ASP 548 Cb 0.00 0.04 -0.04 0.00 -1.35 0.00 0.00 41.12 39.77 3i7l n ASP 548 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3i7l s SER 549 N -1.46 6.44 0.03 -1.12 1.04 -1.26 -5.03 113.70 112.35 3i7l s SER 549 Ca 0.15 0.53 -0.02 0.00 0.48 0.00 0.00 55.95 57.08 3i7l s SER 549 Cb 0.17 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.22 3i7l s SER 549 CO -0.07 -0.02 -0.05 0.59 0.98 0.00 0.00 173.24 174.67 3i7l n ASN 550 N -0.34 0.94 0.00 7.02 4.13 -1.26 -4.53 115.26 121.22 3i7l n ASN 550 Ca -0.03 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.36 3i7l n ASN 550 Cb 0.53 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 3i7l n ASN 550 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3i7l n GLY 551 N 3.12 0.22 3.74 7.41 0.00 -1.26 -4.74 105.19 113.69 3i7l n GLY 551 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3i7l n GLY 551 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i7l s LEU 552 N -3.04 4.54 0.09 0.99 1.02 -1.26 -4.56 118.68 116.46 3i7l s LEU 552 Ca 0.00 2.01 0.03 0.00 0.02 0.00 0.00 54.13 56.18 3i7l s LEU 552 Cb 0.00 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.57 3i7l s LEU 552 CO 0.00 -0.08 0.12 -0.44 0.02 0.00 0.00 176.35 175.97 3i7l s SER 553 N -0.43 5.71 0.00 2.29 0.01 -1.26 -4.82 113.70 115.20 3i7l s SER 553 Ca 0.46 0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.76 3i7l s SER 553 Cb -0.27 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.37 3i7l s SER 553 CO 0.34 0.16 0.10 -2.65 0.41 0.00 0.00 173.24 171.59 3i7l n PRO 554 N 0.29 0.00 -1.48 12.44 -0.02 -1.26 -4.16 135.00 140.82 3i7l n PRO 554 Ca -0.08 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.19 3i7l n PRO 554 Cb 0.52 -0.51 0.14 0.00 -0.02 0.00 0.00 33.50 33.63 3i7l n PRO 554 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i7l n LEU 555 N -0.39 0.00 -3.47 2.45 4.77 -1.26 -2.02 117.00 117.09 3i7l n LEU 555 Ca 0.00 -1.13 -0.10 0.00 -0.03 0.00 0.00 56.01 54.75 3i7l n LEU 555 Cb 0.00 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.29 3i7l n LEU 555 CO 0.00 -1.15 -0.05 0.00 -1.33 0.00 0.00 177.39 174.86 3i7l s ALA 557 N 2.53 3.68 -0.02 0.00 0.00 -0.71 0.43 121.76 127.66 3i7l s ALA 557 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3i7l s ALA 557 Cb -0.14 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.81 3i7l s ALA 557 CO -0.14 0.16 -0.00 -1.50 0.00 0.00 0.00 175.76 174.28 3i7l s ILE 558 N 0.35 0.16 -0.17 0.00 1.10 -0.93 -0.98 121.20 120.74 3i7l s ILE 558 Ca 0.09 0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.30 3i7l s ILE 558 Cb -0.11 -0.24 0.02 0.00 0.15 0.00 0.00 42.46 42.28 3i7l s ILE 558 CO -0.01 0.12 -0.16 -0.83 -2.11 0.00 0.00 174.94 171.95 3i7l s GLY 559 N 0.83 1.24 0.51 1.50 0.00 -0.51 -1.33 107.32 109.55 3i7l s GLY 559 Ca -0.08 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.66 3i7l s GLY 559 CO -0.02 0.46 0.46 1.08 0.00 0.00 0.00 173.10 175.08 3i7l s LEU 560 N 1.41 3.00 0.00 0.66 1.43 -0.17 0.89 118.68 125.89 3i7l s LEU 560 Ca 0.04 -1.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.20 3i7l s LEU 560 Cb -0.13 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3i7l s LEU 560 CO -0.11 -0.99 0.57 0.79 0.23 0.00 0.00 176.35 176.84 3i7l n TRP 561 N -1.77 0.00 0.00 0.29 7.02 0.10 -3.97 117.44 119.12 3i7l n TRP 561 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 3i7l n TRP 561 Cb 0.63 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.52 3i7l n TRP 561 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3i7l n THR 562 N -0.12 0.00 1.25 -0.99 -1.04 -1.26 -4.69 114.28 107.43 3i7l n THR 562 Ca 0.03 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.17 3i7l n THR 562 Cb 0.15 0.00 0.32 0.00 -1.82 0.00 0.00 70.33 68.98 3i7l n THR 562 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3i7l n ASP 563 N -0.71 1.73 -3.32 8.00 5.75 -1.26 -5.02 116.55 121.73 3i7l n ASP 563 Ca 0.00 -1.42 -0.14 0.00 -0.01 0.00 0.00 54.79 53.22 3i7l n ASP 563 Cb 0.00 0.11 0.01 0.00 -1.03 0.00 0.00 41.12 40.21 3i7l n ASP 563 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i7l n ILE 564 N 0.13 -7.41 -3.97 2.12 5.41 -1.26 -4.58 119.36 109.80 3i7l n ILE 564 Ca 0.15 0.05 -0.09 0.00 1.00 0.00 0.00 62.75 63.85 3i7l n ILE 564 Cb 0.42 -5.32 -0.09 0.00 -0.71 0.00 0.00 39.64 33.94 3i7l n ILE 564 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3i7l s SER 565 N -2.75 0.27 -0.07 4.38 1.04 -1.25 -0.91 113.70 114.40 3i7l s SER 565 Ca 0.08 -0.68 0.03 0.00 0.48 0.00 0.00 55.95 55.86 3i7l s SER 565 Cb -0.02 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.34 3i7l s SER 565 CO 0.82 -0.54 -0.14 0.00 0.98 0.00 0.00 173.24 174.35 3i7l s ALA 566 N -3.03 1.41 0.08 5.32 0.00 -1.07 -1.00 121.76 123.47 3i7l s ALA 566 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3i7l s ALA 566 Cb 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3i7l s ALA 566 CO -0.07 0.15 -0.07 1.03 0.00 0.00 0.00 175.76 176.80 3i7l s ARG 567 N 0.61 0.73 -0.31 0.00 3.00 -0.44 -2.08 118.95 120.45 3i7l s ARG 567 Ca -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 55.73 54.41 3i7l s ARG 567 Cb -0.16 -0.26 0.04 0.00 0.00 0.00 0.00 34.95 34.57 3i7l s ARG 567 CO 0.05 0.01 0.04 0.42 0.00 0.00 0.00 175.30 175.82 3i7l s ILE 568 N -2.77 3.34 0.00 1.52 -1.09 -1.08 -2.19 121.20 118.93 3i7l s ILE 568 Ca 0.04 -1.22 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 3i7l s ILE 568 Cb -0.01 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3i7l s ILE 568 CO -0.03 -0.10 0.00 0.18 -1.23 0.00 0.00 174.94 173.76 3i7l n LEU 569 N 4.71 0.00 -4.31 2.97 4.77 0.17 -3.32 117.00 121.99 3i7l n LEU 569 Ca -0.13 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 3i7l n LEU 569 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3i7l n LEU 569 CO 0.29 0.00 -0.34 -0.75 -1.33 0.00 0.00 177.39 175.25 3i7l s LYS 570 N 1.72 1.28 -0.29 3.23 2.20 -1.26 -1.16 119.74 125.45 3i7l s LYS 570 Ca 0.00 -1.63 -0.02 0.00 -0.36 0.00 0.00 55.97 53.97 3i7l s LYS 570 Cb 0.00 -0.61 0.19 0.00 -1.51 0.00 0.00 37.83 35.91 3i7l s LYS 570 CO 0.00 -0.06 0.78 -1.17 -0.36 0.00 0.00 175.35 174.53 3i7l s LEU 571 N -3.27 -1.12 0.00 5.43 0.20 -0.86 0.28 118.68 119.34 3i7l s LEU 571 Ca 0.26 0.20 0.00 0.00 0.69 0.00 0.00 54.13 55.28 3i7l s LEU 571 Cb 0.05 1.74 0.00 0.00 -0.43 0.00 0.00 46.19 47.55 3i7l s LEU 571 CO 0.07 -0.21 0.00 -0.81 -0.29 0.00 0.00 176.35 175.11 3i7l n PRO 572 N 5.31 0.00 0.00 0.98 -0.04 -1.26 -4.20 135.00 135.80 3i7l n PRO 572 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 3i7l n PRO 572 Cb 0.55 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3i7l n PRO 572 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i7l n SER 573 N 0.00 0.00 0.00 3.54 2.88 -0.98 -4.94 113.62 114.13 3i7l n SER 573 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i7l n SER 573 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i7l n SER 573 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3i7l n PHE 574 N -0.01 0.00 -1.15 0.66 3.72 0.14 -4.79 117.46 116.04 3i7l n PHE 574 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3i7l n PHE 574 Cb 0.00 0.00 0.10 0.00 -0.94 0.00 0.00 39.48 38.64 3i7l n PHE 574 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3i7l n GLU 575 N -1.15 0.21 -2.93 -1.08 0.28 -1.26 -4.71 120.64 109.99 3i7l n GLU 575 Ca 0.00 0.13 -0.40 0.00 -0.16 0.00 0.00 57.16 56.73 3i7l n GLU 575 Cb 0.00 -2.16 -0.05 0.00 1.43 0.00 0.00 31.44 30.66 3i7l n GLU 575 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3i7l s LEU 576 N -3.10 4.51 0.00 -1.84 1.98 -1.26 -4.27 118.68 114.69 3i7l s LEU 576 Ca 0.69 1.58 0.00 0.00 -2.89 0.00 0.00 54.13 53.51 3i7l s LEU 576 Cb -0.30 -3.32 0.00 0.00 0.66 0.00 0.00 46.19 43.23 3i7l s LEU 576 CO 0.55 0.06 0.00 0.18 -1.89 0.00 0.00 176.35 175.25 3i7l n LEU 577 N 2.40 0.40 -3.44 -0.68 4.32 -1.21 -5.05 117.00 113.74 3i7l n LEU 577 Ca -0.03 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.88 3i7l n LEU 577 Cb 0.49 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 3i7l n LEU 577 CO 0.48 -0.14 -0.03 -2.28 -1.22 0.00 0.00 177.39 174.20 3i7l s HIS 578 N -1.78 -0.83 -0.25 -1.77 2.46 -1.26 -5.00 115.29 106.86 3i7l s HIS 578 Ca 0.00 1.07 -0.11 0.00 0.47 0.00 0.00 55.06 56.49 3i7l s HIS 578 Cb 0.00 0.12 -0.05 0.00 -0.13 0.00 0.00 32.58 32.52 3i7l s HIS 578 CO 0.00 -0.65 0.19 -1.59 -2.47 0.00 0.00 174.74 170.22 3i7l s LYS 579 N 2.57 4.03 -0.33 2.88 -2.85 -1.26 -2.62 119.74 122.16 3i7l s LYS 579 Ca 0.09 -0.26 -0.07 0.00 -1.00 0.00 0.00 55.97 54.73 3i7l s LYS 579 Cb -0.14 -3.59 0.03 0.00 -2.06 0.00 0.00 37.83 32.07 3i7l s LYS 579 CO -0.15 -0.04 0.10 -2.00 0.10 0.00 0.00 175.35 173.36 3i7l s GLU 580 N 1.36 2.75 -0.10 1.78 2.56 -0.88 -5.03 118.70 121.14 3i7l s GLU 580 Ca 0.08 -1.09 -0.29 0.00 0.00 0.00 0.00 54.97 53.66 3i7l s GLU 580 Cb -0.15 -3.45 -0.04 0.00 2.00 0.00 0.00 34.13 32.50 3i7l s GLU 580 CO 0.07 -0.61 1.48 1.41 -0.56 0.00 0.00 175.26 177.05 3i7l s MET 581 N 1.43 4.21 0.15 4.30 1.75 -1.26 -2.60 119.30 127.28 3i7l s MET 581 Ca -0.00 1.96 0.24 0.00 -1.25 0.00 0.00 55.69 56.64 3i7l s MET 581 Cb -0.19 -3.88 0.38 0.00 2.84 0.00 0.00 34.83 33.98 3i7l s MET 581 CO 0.03 -0.78 1.37 -0.07 -0.65 0.00 0.00 175.02 174.92 3i7l h LEU 582 N 9.95 0.00 0.00 4.11 3.38 -1.27 -3.50 115.31 127.98 3i7l h LEU 582 Ca -0.34 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.51 3i7l h LEU 582 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3i7l h LEU 582 CO 0.96 0.08 -0.04 0.61 0.09 0.00 0.00 178.44 180.13 3i7l n GLY 583 N 1.31 -1.75 7.00 0.83 0.00 -1.25 -4.99 105.19 106.34 3i7l n GLY 583 Ca 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3i7l n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7l n GLY 584 N -0.48 1.58 0.00 -0.02 0.00 -1.26 -4.63 105.19 100.38 3i7l n GLY 584 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3i7l n GLY 584 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i7l n GLU 585 N 5.61 0.00 -3.97 1.61 0.28 -1.26 -4.99 120.64 117.92 3i7l n GLU 585 Ca 0.00 -0.36 -0.35 0.00 -0.16 0.00 0.00 57.16 56.29 3i7l n GLU 585 Cb 0.00 -0.39 -0.09 0.00 1.43 0.00 0.00 31.44 32.39 3i7l n GLU 585 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3i7l s ILE 586 N 0.00 4.93 0.44 3.84 -1.09 -1.26 -5.09 121.20 122.96 3i7l s ILE 586 Ca 0.00 0.01 -0.22 0.00 -2.23 0.00 0.00 60.65 58.21 3i7l s ILE 586 Cb 0.00 -3.21 -0.09 0.00 -1.58 0.00 0.00 42.46 37.58 3i7l s ILE 586 CO 0.00 0.48 1.04 0.27 -1.23 0.00 0.00 174.94 175.50 3i7l s ILE 587 N 0.14 3.77 0.47 2.92 -0.00 -1.26 -4.72 121.20 122.52 3i7l s ILE 587 Ca 0.06 1.24 -0.22 0.00 -0.00 0.00 0.00 60.65 61.72 3i7l s ILE 587 Cb -0.12 -3.58 -0.09 0.00 -0.00 0.00 0.00 42.46 38.67 3i7l s ILE 587 CO 0.00 -0.11 0.94 -2.65 -0.00 0.00 0.00 174.94 173.12 3i7l n PRO 588 N -0.47 1.15 -0.01 0.37 -0.02 -1.26 -2.53 135.00 132.23 3i7l n PRO 588 Ca 0.07 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.95 3i7l n PRO 588 Cb 0.51 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3i7l n PRO 588 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i7l n ARG 589 N -0.10 1.88 -3.93 -0.52 0.00 0.19 -4.72 116.66 109.46 3i7l n ARG 589 Ca 0.11 0.01 -0.10 0.00 -0.00 0.00 0.00 57.85 57.87 3i7l n ARG 589 Cb 0.42 -1.06 -0.10 0.00 0.00 0.00 0.00 32.46 31.71 3i7l n ARG 589 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 3i7l s SER 590 N -3.80 0.16 -0.02 6.15 0.01 -1.17 -4.79 113.70 110.24 3i7l s SER 590 Ca -0.03 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.84 3i7l s SER 590 Cb 0.01 0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.41 3i7l s SER 590 CO 0.09 -0.37 -0.06 -0.51 0.41 0.00 0.00 173.24 172.79 3i7l s ILE 591 N -1.71 0.55 -0.14 1.44 2.07 -1.26 -1.81 121.20 120.34 3i7l s ILE 591 Ca -0.13 -0.25 -0.09 0.00 -1.41 0.00 0.00 60.65 58.78 3i7l s ILE 591 Cb -0.07 -0.50 0.05 0.00 0.13 0.00 0.00 42.46 42.07 3i7l s ILE 591 CO -0.01 0.18 0.35 -0.22 -1.91 0.00 0.00 174.94 173.33 3i7l s LEU 592 N 0.17 0.19 -0.01 8.50 2.96 0.19 -4.46 118.68 126.22 3i7l s LEU 592 Ca -0.02 0.75 0.04 0.00 -0.22 0.00 0.00 54.13 54.68 3i7l s LEU 592 Cb -0.07 1.14 -0.03 0.00 0.50 0.00 0.00 46.19 47.74 3i7l s LEU 592 CO -0.00 -0.17 -0.12 0.00 -1.32 0.00 0.00 176.35 174.74 3i7l s MET 593 N 1.15 2.42 -0.02 1.98 0.00 -1.26 -0.31 119.30 123.25 3i7l s MET 593 Ca -0.08 -0.77 -0.11 0.00 0.00 0.00 0.00 55.69 54.73 3i7l s MET 593 Cb -0.08 -2.39 0.02 0.00 0.00 0.00 0.00 34.83 32.38 3i7l s MET 593 CO -0.09 0.60 0.24 0.95 0.00 0.00 0.00 175.02 176.72 3i7l s THR 594 N -0.89 0.06 -0.46 3.16 -4.23 -1.25 -5.02 115.64 107.01 3i7l s THR 594 Ca 0.14 -0.46 -0.28 0.00 -1.18 0.00 0.00 61.69 59.91 3i7l s THR 594 Cb -0.11 -0.51 -0.00 0.00 1.34 0.00 0.00 72.50 73.22 3i7l s THR 594 CO 0.04 -0.25 1.62 0.42 -0.54 0.00 0.00 174.62 175.91 3i7l s THR 595 N -1.08 3.64 0.00 3.99 -4.23 -1.26 -4.34 115.64 112.35 3i7l s THR 595 Ca -0.12 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3i7l s THR 595 Cb -0.05 -4.03 0.00 0.00 1.34 0.00 0.00 72.50 69.75 3i7l s THR 595 CO 0.03 -0.78 0.07 0.49 -0.54 0.00 0.00 174.62 173.89 3i7l n PHE 596 N 10.21 0.00 0.00 3.99 0.99 -1.24 -4.57 117.46 126.84 3i7l n PHE 596 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 3i7l n PHE 596 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.97 3i7l n PHE 596 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 3i7l n GLU 597 N -0.17 0.00 -3.23 -1.08 4.71 -1.26 -3.77 120.64 115.83 3i7l n GLU 597 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 3i7l n GLU 597 Cb 0.00 -0.18 -0.05 0.00 -1.01 0.00 0.00 31.44 30.20 3i7l n GLU 597 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3i7l s SER 598 N -4.15 0.16 0.00 1.62 1.04 -1.26 -5.12 113.70 105.98 3i7l s SER 598 Ca 0.00 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.81 3i7l s SER 598 Cb 0.00 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.10 3i7l s SER 598 CO 0.00 -0.19 0.00 -0.24 0.98 0.00 0.00 173.24 173.79 3i7l n SER 599 N 3.89 0.00 -4.22 7.02 2.88 -1.26 -5.07 113.62 116.86 3i7l n SER 599 Ca 0.15 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.51 3i7l n SER 599 Cb 0.50 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.85 3i7l n SER 599 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3i7l s HIS 600 N -2.00 1.32 0.19 0.66 3.76 -1.26 -3.71 115.29 114.25 3i7l s HIS 600 Ca 0.00 -0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 54.27 3i7l s HIS 600 Cb 0.00 -0.70 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 3i7l s HIS 600 CO 0.00 0.11 0.29 0.71 -0.85 0.00 0.00 174.74 175.00 3i7l s TYR 601 N -2.11 0.56 -0.02 1.40 1.51 -1.26 -3.09 117.35 114.33 3i7l s TYR 601 Ca 0.07 -0.90 0.07 0.00 -1.01 0.00 0.00 57.07 55.30 3i7l s TYR 601 Cb -0.05 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.67 3i7l s TYR 601 CO 0.02 -0.77 -0.23 -1.17 -1.11 0.00 0.00 175.55 172.29 3i7l s LEU 602 N -3.02 2.04 -0.03 -1.29 2.96 -0.96 -3.76 118.68 114.61 3i7l s LEU 602 Ca 0.23 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3i7l s LEU 602 Cb 0.03 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.51 3i7l s LEU 602 CO 0.05 0.28 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.48 3i7l s LEU 603 N -0.48 1.82 -0.03 -0.68 1.02 0.57 0.11 118.68 121.01 3i7l s LEU 603 Ca 0.07 -0.24 -0.01 0.00 0.02 0.00 0.00 54.13 53.97 3i7l s LEU 603 Cb -0.10 -0.68 0.03 0.00 0.02 0.00 0.00 46.19 45.47 3i7l s LEU 603 CO -0.00 0.09 0.06 0.00 0.02 0.00 0.00 176.35 176.52 3i7l s ALA 605 N 1.43 3.43 0.79 0.00 0.00 -0.75 -0.90 121.76 125.76 3i7l s ALA 605 Ca -0.05 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.53 3i7l s ALA 605 Cb -0.13 -2.49 0.06 0.00 0.00 0.00 0.00 23.12 20.57 3i7l s ALA 605 CO -0.04 -0.77 1.13 -0.51 0.00 0.00 0.00 175.76 175.58 3i7l s LEU 606 N 1.70 2.58 0.00 0.00 1.43 -0.98 0.56 118.68 123.97 3i7l s LEU 606 Ca 0.06 1.01 0.12 0.00 -1.03 0.00 0.00 54.13 54.29 3i7l s LEU 606 Cb -0.17 -3.60 0.74 0.00 0.03 0.00 0.00 46.19 43.20 3i7l s LEU 606 CO 0.09 -1.81 1.48 0.61 0.23 0.00 0.00 176.35 176.94 3i7l n GLY 607 N -2.86 -1.00 0.09 -3.19 0.00 -1.05 -3.56 105.19 93.62 3i7l n GLY 607 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3i7l n GLY 607 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i7l n ASP 608 N -0.70 0.84 0.00 1.61 3.85 -1.26 -2.95 116.55 117.95 3i7l n ASP 608 Ca 0.09 0.37 0.00 0.00 -0.71 0.00 0.00 54.79 54.55 3i7l n ASP 608 Cb 0.04 0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.97 3i7l n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i7l n GLY 609 N 1.43 1.50 3.78 6.12 0.00 -1.23 -4.06 105.19 112.72 3i7l n GLY 609 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3i7l n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7l s ALA 610 N -0.87 1.90 -0.07 4.61 0.00 -1.26 -0.38 121.76 125.68 3i7l s ALA 610 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 3i7l s ALA 610 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 20.05 3i7l s ALA 610 CO 0.00 -2.08 0.21 -1.17 0.00 0.00 0.00 175.76 172.72 3i7l s LEU 611 N -5.97 1.20 0.20 0.00 0.20 0.91 -2.32 118.68 112.91 3i7l s LEU 611 Ca 0.62 0.39 0.07 0.00 0.69 0.00 0.00 54.13 55.90 3i7l s LEU 611 Cb -0.15 0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 46.30 3i7l s LEU 611 CO 0.54 -0.09 0.12 -0.36 -0.29 0.00 0.00 176.35 176.27 3i7l s PHE 612 N 0.03 3.04 -0.08 5.38 0.40 -0.08 -0.92 117.98 125.75 3i7l s PHE 612 Ca -0.01 -0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 3i7l s PHE 612 Cb -0.02 -1.42 0.03 0.00 0.51 0.00 0.00 43.02 42.12 3i7l s PHE 612 CO 0.00 0.53 0.29 1.52 0.70 0.00 0.00 175.22 178.27 3i7l s TYR 613 N -1.92 -0.26 0.35 0.36 1.13 -0.85 -1.89 117.35 114.27 3i7l s TYR 613 Ca 0.31 0.59 0.03 0.00 -1.41 0.00 0.00 57.07 56.59 3i7l s TYR 613 Cb -0.09 0.10 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 3i7l s TYR 613 CO 0.23 -0.24 0.09 -0.06 -2.51 0.00 0.00 175.55 173.06 3i7l s PHE 614 N -0.38 1.85 -1.09 -3.49 0.40 0.12 -2.51 117.98 112.87 3i7l s PHE 614 Ca -0.05 -1.11 -0.13 0.00 -0.60 0.00 0.00 56.93 55.04 3i7l s PHE 614 Cb -0.03 -1.20 0.20 0.00 0.51 0.00 0.00 43.02 42.50 3i7l s PHE 614 CO 0.02 -0.14 1.22 0.20 0.70 0.00 0.00 175.22 177.21 3i7l s GLY 615 N -3.52 2.59 0.00 4.36 0.00 -1.20 -2.27 107.32 107.27 3i7l s GLY 615 Ca 0.31 -3.39 0.00 0.00 0.00 0.00 0.00 44.72 41.64 3i7l s GLY 615 CO 0.15 1.75 0.00 -0.10 0.00 0.00 0.00 173.10 174.90 3i7l n LEU 616 N 4.78 0.00 0.00 0.66 7.94 -1.18 -2.74 117.00 126.46 3i7l n LEU 616 Ca 0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 3i7l n LEU 616 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 3i7l n LEU 616 CO 0.53 0.00 0.00 -0.46 -1.11 0.00 0.00 177.39 176.35 3i7l n ASN 617 N 0.00 0.00 0.00 1.96 6.94 -1.26 -4.59 115.26 118.31 3i7l n ASN 617 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 54.58 54.62 3i7l n ASN 617 Cb 0.00 0.00 0.33 0.00 -2.36 0.00 0.00 39.78 37.75 3i7l n ASN 617 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 3i7l n ILE 618 N 0.00 0.00 -0.01 1.53 -5.35 -1.26 -3.72 119.36 110.55 3i7l n ILE 618 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 3i7l n ILE 618 Cb 0.00 -0.56 -0.01 0.00 -1.74 0.00 0.00 39.64 37.34 3i7l n ILE 618 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3i7l n GLU 619 N -0.83 0.03 0.00 6.28 -0.58 -1.26 -4.77 120.64 119.51 3i7l n GLU 619 Ca 0.08 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 3i7l n GLU 619 Cb 0.04 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 3i7l n GLU 619 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3i7l n THR 620 N -2.64 0.00 0.00 2.62 -1.04 -1.25 -5.08 114.28 106.89 3i7l n THR 620 Ca -0.02 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 3i7l n THR 620 Cb 0.52 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.44 3i7l n THR 620 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i7l n GLY 621 N 2.19 0.82 3.64 3.41 0.00 -1.24 -5.13 105.19 108.88 3i7l n GLY 621 Ca 0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 3i7l n GLY 621 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i7l s LEU 622 N 0.00 -0.50 0.54 0.99 0.05 -1.26 -4.78 118.68 113.72 3i7l s LEU 622 Ca 0.00 0.85 -0.03 0.00 0.05 0.00 0.00 54.13 55.00 3i7l s LEU 622 Cb 0.00 1.80 0.01 0.00 -2.05 0.00 0.00 46.19 45.95 3i7l s LEU 622 CO 0.00 -0.14 0.81 -0.76 -0.55 0.00 0.00 176.35 175.71 3i7l s LEU 623 N 0.95 3.37 0.00 1.48 1.43 -1.26 -4.48 118.68 120.17 3i7l s LEU 623 Ca -0.05 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 3i7l s LEU 623 Cb -0.04 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3i7l s LEU 623 CO -0.12 -0.96 0.00 -1.20 0.23 0.00 0.00 176.35 174.29 3i7l n SER 624 N -2.38 0.00 -4.63 2.29 7.64 -1.11 -4.93 113.62 110.49 3i7l n SER 624 Ca 0.04 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.55 3i7l n SER 624 Cb 0.58 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.85 3i7l n SER 624 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i7l n ASP 625 N 0.00 0.83 -4.14 6.43 9.92 -1.26 -4.61 116.55 123.72 3i7l n ASP 625 Ca 0.00 0.74 -0.23 0.00 -0.53 0.00 0.00 54.79 54.77 3i7l n ASP 625 Cb 0.00 -1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 38.91 3i7l n ASP 625 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 3i7l s ARG 626 N -3.16 1.19 0.01 -1.24 3.52 -1.26 -3.27 118.95 114.73 3i7l s ARG 626 Ca 0.76 -0.60 -0.26 0.00 -0.13 0.00 0.00 55.73 55.50 3i7l s ARG 626 Cb -0.37 -1.17 0.06 0.00 -1.56 0.00 0.00 34.95 31.91 3i7l s ARG 626 CO 0.47 0.31 0.59 0.21 -0.81 0.00 0.00 175.30 176.07 3i7l s LYS 627 N -0.54 1.04 0.00 5.12 2.47 -1.05 -4.92 119.74 121.87 3i7l s LYS 627 Ca 0.05 -0.02 0.04 0.00 -1.56 0.00 0.00 55.97 54.48 3i7l s LYS 627 Cb -0.06 0.48 -0.01 0.00 -1.46 0.00 0.00 37.83 36.78 3i7l s LYS 627 CO -0.00 -0.36 -0.12 0.21 0.16 0.00 0.00 175.35 175.25 3i7l s LYS 628 N -1.88 0.91 -0.24 4.03 2.20 -1.26 -2.00 119.74 121.49 3i7l s LYS 628 Ca -0.08 -0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 54.94 3i7l s LYS 628 Cb -0.01 -0.88 0.09 0.00 -1.51 0.00 0.00 37.83 35.53 3i7l s LYS 628 CO 0.03 0.24 0.55 0.54 -0.36 0.00 0.00 175.35 176.35 3i7l s VAL 629 N -0.41 -0.46 0.02 4.02 0.11 -0.10 -4.99 120.40 118.59 3i7l s VAL 629 Ca 0.03 0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.98 3i7l s VAL 629 Cb -0.05 -0.84 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 3i7l s VAL 629 CO -0.00 0.03 0.47 0.42 -3.33 0.00 0.00 175.10 172.69 3i7l s THR 630 N 2.21 4.93 0.00 5.04 -4.23 -1.26 -0.06 115.64 122.26 3i7l s THR 630 Ca -0.07 0.99 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 3i7l s THR 630 Cb -0.09 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3i7l s THR 630 CO -0.16 0.56 0.00 0.18 -0.54 0.00 0.00 174.62 174.65 3i7l n LEU 631 N 1.88 0.00 -4.50 4.79 4.77 0.48 -4.93 117.00 119.50 3i7l n LEU 631 Ca -0.12 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 3i7l n LEU 631 Cb 0.52 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.86 3i7l n LEU 631 CO 0.39 0.00 0.56 -0.83 -1.33 0.00 0.00 177.39 176.18 3i7l s GLY 632 N -0.25 1.53 -0.00 -0.72 0.00 -1.21 -4.88 107.32 101.78 3i7l s GLY 632 Ca 0.00 -0.93 0.16 0.00 0.00 0.00 0.00 44.72 43.96 3i7l s GLY 632 CO 0.00 0.01 0.64 -1.30 0.00 0.00 0.00 173.10 172.45 3i7l n THR 633 N -5.06 0.00 -3.99 0.90 -2.24 -1.26 -4.01 114.28 98.62 3i7l n THR 633 Ca 0.13 -0.16 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 3i7l n THR 633 Cb 0.60 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3i7l n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i7l s GLN 634 N -2.64 3.15 -0.14 -0.78 -1.52 -1.26 -4.52 119.66 111.95 3i7l s GLN 634 Ca 0.04 -0.94 -0.36 0.00 -1.95 0.00 0.00 55.36 52.16 3i7l s GLN 634 Cb 0.12 -2.72 -0.13 0.00 -0.22 0.00 0.00 33.01 30.07 3i7l s GLN 634 CO 0.68 0.37 1.87 -0.35 -0.25 0.00 0.00 175.29 177.61 3i7l n PRO 635 N -1.32 1.92 -2.61 2.91 -0.04 -1.15 -3.72 135.00 130.98 3i7l n PRO 635 Ca -0.07 0.70 -0.40 0.00 -0.04 0.00 0.00 63.50 63.68 3i7l n PRO 635 Cb 0.58 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 3i7l n PRO 635 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i7l s THR 636 N 4.13 3.92 -0.17 0.52 2.01 -1.25 -4.80 115.64 120.00 3i7l s THR 636 Ca 0.95 1.80 -0.00 0.00 0.31 0.00 0.00 61.69 64.74 3i7l s THR 636 Cb -0.78 -4.15 -0.00 0.00 0.01 0.00 0.00 72.50 67.58 3i7l s THR 636 CO 0.55 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.02 3i7l s VAL 637 N -0.75 2.71 0.36 3.82 1.01 0.76 -4.39 120.40 123.92 3i7l s VAL 637 Ca 0.45 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3i7l s VAL 637 Cb -0.28 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3i7l s VAL 637 CO 0.35 0.51 0.55 -0.76 0.00 0.00 0.00 175.10 175.74 3i7l s LEU 638 N 0.93 3.96 -0.26 3.92 1.43 -1.26 0.96 118.68 128.36 3i7l s LEU 638 Ca -0.03 0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 53.09 3i7l s LEU 638 Cb -0.15 -3.16 0.17 0.00 0.03 0.00 0.00 46.19 43.08 3i7l s LEU 638 CO -0.02 -0.38 1.25 -0.60 0.23 0.00 0.00 176.35 176.83 3i7l s ARG 639 N -4.32 0.25 0.17 1.70 6.06 -0.76 -4.94 118.95 117.11 3i7l s ARG 639 Ca 0.42 0.13 -0.06 0.00 -2.50 0.00 0.00 55.73 53.73 3i7l s ARG 639 Cb -0.10 0.12 -0.06 0.00 0.06 0.00 0.00 34.95 34.98 3i7l s ARG 639 CO 0.35 -0.06 0.43 0.99 -2.50 0.00 0.00 175.30 174.50 3i7l s THR 640 N -0.64 5.11 -0.01 4.11 2.01 -1.26 0.05 115.64 125.01 3i7l s THR 640 Ca 0.05 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 3i7l s THR 640 Cb -0.02 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.87 3i7l s THR 640 CO -0.07 -0.02 0.23 0.72 -0.69 0.00 0.00 174.62 174.78 3i7l s PHE 641 N -1.73 -0.08 -0.22 4.92 -0.12 0.01 -4.70 117.98 116.06 3i7l s PHE 641 Ca 0.42 0.10 -0.04 0.00 -0.05 0.00 0.00 56.93 57.37 3i7l s PHE 641 Cb -0.12 0.03 -0.01 0.00 -0.63 0.00 0.00 43.02 42.30 3i7l s PHE 641 CO 0.24 -0.33 -0.05 0.50 -0.05 0.00 0.00 175.22 175.54 3i7l s ARG 642 N -1.27 3.36 -0.13 1.99 3.52 -1.26 -0.71 118.95 124.44 3i7l s ARG 642 Ca -0.13 -0.63 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 3i7l s ARG 642 Cb -0.06 -2.99 -0.05 0.00 -1.56 0.00 0.00 34.95 30.29 3i7l s ARG 642 CO 0.03 -0.20 -0.27 -1.13 -0.81 0.00 0.00 175.30 172.92 3i7l n SER 643 N 4.79 1.73 0.00 -2.12 3.41 -1.19 -5.01 113.62 115.23 3i7l n SER 643 Ca -0.18 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3i7l n SER 643 Cb 0.51 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 3i7l n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7l n LEU 644 N -4.22 0.00 0.09 1.04 -0.00 -1.26 -4.95 117.00 107.70 3i7l n LEU 644 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.80 3i7l n LEU 644 Cb 0.44 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.88 3i7l n LEU 644 CO 0.15 0.00 0.30 0.77 -0.00 0.00 0.00 177.39 178.61 3i7l h SER 645 N 0.00 0.20 -2.77 1.45 4.64 -2.02 -3.47 113.55 111.58 3i7l h SER 645 Ca 0.00 -0.15 -0.46 0.00 -0.47 0.00 0.00 61.79 60.70 3i7l h SER 645 Cb 0.00 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3i7l h SER 645 CO 0.00 0.94 -0.11 0.42 -0.87 0.00 0.00 176.83 177.20 3i7l s THR 646 N -3.27 4.29 -0.20 2.95 -4.23 -1.26 -5.03 115.64 108.88 3i7l s THR 646 Ca -0.02 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.01 3i7l s THR 646 Cb 0.11 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.38 3i7l s THR 646 CO 0.82 -0.40 -0.15 0.42 -0.54 0.00 0.00 174.62 174.76 3i7l s THR 647 N -2.50 2.41 0.47 3.99 -4.23 -1.25 -3.18 115.64 111.36 3i7l s THR 647 Ca 0.46 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.11 3i7l s THR 647 Cb -0.10 -2.07 0.02 0.00 1.34 0.00 0.00 72.50 71.69 3i7l s THR 647 CO 0.38 0.46 0.18 0.59 -0.54 0.00 0.00 174.62 175.69 3i7l n ASN 648 N 4.65 2.92 -4.24 3.99 3.02 0.11 -4.59 115.26 121.11 3i7l n ASN 648 Ca -0.20 -2.85 -0.34 0.00 -0.03 0.00 0.00 54.58 51.17 3i7l n ASN 648 Cb 0.50 0.14 -0.15 0.00 -0.61 0.00 0.00 39.78 39.65 3i7l n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7l s VAL 649 N -2.54 2.72 -0.17 2.41 1.01 -1.18 -0.81 120.40 121.84 3i7l s VAL 649 Ca 0.14 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 3i7l s VAL 649 Cb -0.01 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3i7l s VAL 649 CO 0.09 0.50 0.75 0.12 0.00 0.00 0.00 175.10 176.56 3i7l s PHE 650 N 1.09 3.42 -0.25 5.22 5.36 0.11 0.04 117.98 132.97 3i7l s PHE 650 Ca 0.00 1.14 -0.09 0.00 -0.96 0.00 0.00 56.93 57.03 3i7l s PHE 650 Cb -0.14 -2.92 -0.04 0.00 -0.34 0.00 0.00 43.02 39.57 3i7l s PHE 650 CO -0.04 -0.19 0.11 0.00 -1.46 0.00 0.00 175.22 173.64 3i7l s ALA 651 N 1.96 3.34 -0.15 11.12 0.00 -0.46 -1.84 121.76 135.73 3i7l s ALA 651 Ca 0.35 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 3i7l s ALA 651 Cb -0.16 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 3i7l s ALA 651 CO 0.12 -0.41 0.31 0.00 0.00 0.00 0.00 175.76 175.78 3i7l n SER 653 N 3.55 0.00 0.04 0.00 3.41 -0.32 -0.17 113.62 120.14 3i7l n SER 653 Ca -0.11 -0.94 0.12 0.00 -0.26 0.00 0.00 58.87 57.67 3i7l n SER 653 Cb 0.52 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.95 3i7l n SER 653 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i7l n ASP 654 N -0.23 0.28 -3.43 4.04 5.75 -1.26 -2.63 116.55 119.06 3i7l n ASP 654 Ca 0.00 0.54 -0.26 0.00 -0.01 0.00 0.00 54.79 55.06 3i7l n ASP 654 Cb 0.00 -0.61 -0.09 0.00 -1.03 0.00 0.00 41.12 39.39 3i7l n ASP 654 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3i7l n ARG 655 N -1.78 0.79 -1.89 0.11 0.63 -1.26 -4.58 116.66 108.68 3i7l n ARG 655 Ca 0.05 -3.54 -0.42 0.00 -0.92 0.00 0.00 57.85 53.02 3i7l n ARG 655 Cb 0.30 -1.72 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 3i7l n ARG 655 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3i7l s PRO 656 N -0.72 4.19 0.32 -0.14 0.02 -1.23 -4.54 135.00 132.92 3i7l s PRO 656 Ca 0.33 2.41 0.03 0.00 0.02 0.00 0.00 61.00 63.79 3i7l s PRO 656 Cb 0.07 -3.20 -0.06 0.00 0.02 0.00 0.00 34.50 31.33 3i7l s PRO 656 CO -0.16 -0.65 0.07 0.95 -0.33 0.00 0.00 177.00 176.87 3i7l s THR 657 N 1.35 1.09 -0.05 0.99 -4.23 -0.95 -0.22 115.64 113.62 3i7l s THR 657 Ca 0.72 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3i7l s THR 657 Cb -0.45 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.64 3i7l s THR 657 CO 0.32 0.00 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.55 3i7l s VAL 658 N -3.34 1.32 -0.19 2.29 1.01 -0.38 -1.36 120.40 119.75 3i7l s VAL 658 Ca 0.36 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 3i7l s VAL 658 Cb 0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3i7l s VAL 658 CO 0.15 0.39 0.45 -0.63 0.00 0.00 0.00 175.10 175.46 3i7l s ILE 659 N 0.22 5.16 0.00 2.22 1.01 0.11 -2.17 121.20 127.75 3i7l s ILE 659 Ca -0.07 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.41 3i7l s ILE 659 Cb -0.13 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3i7l s ILE 659 CO 0.03 0.23 0.00 -1.22 0.00 0.00 0.00 174.94 173.98 3i7l n TYR 660 N 4.50 0.00 -3.62 3.97 0.53 0.18 -3.07 117.16 119.64 3i7l n TYR 660 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 3i7l n TYR 660 Cb 0.51 0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.76 3i7l n TYR 660 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3i7l s SER 661 N 0.16 -0.29 0.00 7.72 0.15 -1.26 -1.85 113.70 118.33 3i7l s SER 661 Ca 0.00 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3i7l s SER 661 Cb 0.00 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 3i7l s SER 661 CO 0.00 -0.07 0.00 -1.54 1.20 0.00 0.00 173.24 172.83 3i7l n SER 662 N 3.51 0.00 0.00 5.45 3.41 -0.15 -4.82 113.62 121.01 3i7l n SER 662 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3i7l n SER 662 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3i7l n SER 662 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i7l n ASN 663 N 0.00 0.00 -0.28 4.04 5.15 -1.26 -4.80 115.26 118.11 3i7l n ASN 663 Ca 0.00 0.30 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 3i7l n ASN 663 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3i7l n ASN 663 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3i7l n HIS 664 N -0.31 0.00 -2.81 1.20 8.25 -1.26 -5.09 115.22 115.21 3i7l n HIS 664 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 3i7l n HIS 664 Cb 0.00 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.03 3i7l n HIS 664 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3i7l s LYS 665 N 0.00 4.33 0.00 -0.41 2.47 -1.26 -5.00 119.74 119.87 3i7l s LYS 665 Ca 0.00 1.18 -0.29 0.00 -1.56 0.00 0.00 55.97 55.30 3i7l s LYS 665 Cb 0.00 -2.35 -0.03 0.00 -1.46 0.00 0.00 37.83 33.99 3i7l s LYS 665 CO 0.00 0.05 0.95 -0.51 0.16 0.00 0.00 175.35 176.00 3i7l s LEU 666 N -2.87 4.37 0.00 5.43 1.43 -1.26 -0.98 118.68 124.80 3i7l s LEU 666 Ca 0.59 1.62 0.08 0.00 -1.03 0.00 0.00 54.13 55.39 3i7l s LEU 666 Cb -0.12 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3i7l s LEU 666 CO 0.16 -0.23 -0.25 -0.69 0.23 0.00 0.00 176.35 175.57 3i7l s VAL 667 N 0.90 2.20 -0.29 -1.59 1.01 -0.77 -4.88 120.40 116.98 3i7l s VAL 667 Ca 0.50 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3i7l s VAL 667 Cb -0.21 -1.81 0.08 0.00 0.00 0.00 0.00 36.38 34.45 3i7l s VAL 667 CO 0.27 0.50 0.02 -0.36 0.00 0.00 0.00 175.10 175.53 3i7l s PHE 668 N -0.70 2.80 -0.09 5.22 0.40 -1.26 0.48 117.98 124.84 3i7l s PHE 668 Ca 0.11 -2.25 -0.01 0.00 -0.60 0.00 0.00 56.93 54.18 3i7l s PHE 668 Cb -0.10 -2.13 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 3i7l s PHE 668 CO 0.00 -0.87 -0.04 -1.12 0.70 0.00 0.00 175.22 173.89 3i7l s SER 669 N 1.24 4.85 0.78 1.36 0.01 -0.92 -4.97 113.70 116.06 3i7l s SER 669 Ca 0.04 0.01 -0.14 0.00 1.31 0.00 0.00 55.95 57.17 3i7l s SER 669 Cb -0.19 -1.36 0.07 0.00 0.21 0.00 0.00 66.02 64.75 3i7l s SER 669 CO -0.11 0.34 1.21 0.20 0.41 0.00 0.00 173.24 175.29 3i7l s ASN 670 N -0.64 3.78 -0.09 2.44 0.01 -1.26 -1.25 114.94 117.93 3i7l s ASN 670 Ca 0.10 2.38 0.02 0.00 -0.71 0.00 0.00 52.86 54.64 3i7l s ASN 670 Cb -0.12 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.93 3i7l s ASN 670 CO 0.02 -2.54 -0.13 -0.69 -1.51 0.00 0.00 177.10 172.25 3i7l s VAL 671 N -2.07 3.12 -1.49 1.60 1.01 0.69 -1.58 120.40 121.69 3i7l s VAL 671 Ca 0.74 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 3i7l s VAL 671 Cb -0.29 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3i7l s VAL 671 CO 0.49 0.56 2.52 0.59 0.00 0.00 0.00 175.10 179.26 3i7l n ASN 672 N 2.88 6.69 -4.17 3.32 3.02 0.43 -4.63 115.26 122.81 3i7l n ASN 672 Ca -0.18 -2.80 -0.14 0.00 -0.03 0.00 0.00 54.58 51.43 3i7l n ASN 672 Cb 0.52 -1.55 -0.11 0.00 -0.61 0.00 0.00 39.78 38.03 3i7l n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i7l s LEU 673 N 0.43 2.40 0.00 3.41 1.43 -1.26 -4.75 118.68 120.34 3i7l s LEU 673 Ca 0.57 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3i7l s LEU 673 Cb 0.16 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.10 3i7l s LEU 673 CO -0.07 -0.27 0.74 1.17 0.23 0.00 0.00 176.35 178.15 3i7l n LYS 674 N 0.57 0.00 -3.87 1.70 3.00 -1.26 -4.68 118.16 113.62 3i7l n LYS 674 Ca -0.16 0.42 -0.10 0.00 -0.00 0.00 0.00 58.31 58.47 3i7l n LYS 674 Cb 0.58 -1.24 -0.08 0.00 0.00 0.00 0.00 35.03 34.28 3i7l n LYS 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3i7l s GLU 675 N -1.96 0.71 -0.15 1.64 2.12 -1.26 -4.67 118.70 115.12 3i7l s GLU 675 Ca 0.00 -0.73 -0.05 0.00 0.36 0.00 0.00 54.97 54.55 3i7l s GLU 675 Cb 0.00 0.29 0.07 0.00 0.26 0.00 0.00 34.13 34.75 3i7l s GLU 675 CO 0.00 -0.20 0.30 0.08 -0.54 0.00 0.00 175.26 174.90 3i7l s VAL 676 N -2.87 -0.48 -0.22 3.70 1.01 -1.08 -4.44 120.40 116.02 3i7l s VAL 676 Ca -0.03 0.25 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 3i7l s VAL 676 Cb 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 36.38 35.76 3i7l s VAL 676 CO -0.06 0.11 -0.12 0.59 0.00 0.00 0.00 175.10 175.62 3i7l n ASN 677 N 5.36 1.90 -4.31 3.32 3.02 0.93 -1.17 115.26 124.31 3i7l n ASN 677 Ca -0.07 0.41 -0.17 0.00 -0.03 0.00 0.00 54.58 54.72 3i7l n ASN 677 Cb 0.50 -0.87 -0.10 0.00 -0.61 0.00 0.00 39.78 38.69 3i7l n ASN 677 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i7l s TYR 678 N -2.47 1.54 -0.20 3.10 1.51 -0.54 -4.76 117.35 115.54 3i7l s TYR 678 Ca -0.31 -0.66 -0.28 0.00 -1.01 0.00 0.00 57.07 54.82 3i7l s TYR 678 Cb 0.09 -0.75 0.11 0.00 -0.11 0.00 0.00 41.96 41.30 3i7l s TYR 678 CO 0.49 0.24 0.95 1.41 -1.11 0.00 0.00 175.55 177.52 3i7l s MET 679 N -3.69 0.64 0.03 -0.62 -2.45 -1.26 0.48 119.30 112.43 3i7l s MET 679 Ca 0.21 0.38 -0.11 0.00 -1.25 0.00 0.00 55.69 54.92 3i7l s MET 679 Cb 0.01 0.31 0.01 0.00 1.25 0.00 0.00 34.83 36.41 3i7l s MET 679 CO 0.05 -0.16 0.24 0.00 1.05 0.00 0.00 175.02 176.20 3i7l s PRO 681 N -2.21 1.77 0.00 0.00 0.02 -1.26 0.81 135.00 134.12 3i7l s PRO 681 Ca -0.08 0.96 0.00 0.00 0.02 0.00 0.00 61.00 61.91 3i7l s PRO 681 Cb -0.02 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3i7l s PRO 681 CO -0.02 -1.93 0.00 -0.11 -0.33 0.00 0.00 177.00 174.62 3i7l n LEU 682 N -3.69 0.00 -2.24 -5.54 7.94 -0.77 -4.58 117.00 108.12 3i7l n LEU 682 Ca 0.08 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.96 3i7l n LEU 682 Cb 0.54 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 3i7l n LEU 682 CO 0.55 0.00 0.51 0.59 -1.11 0.00 0.00 177.39 177.92 3i7l n ASN 683 N -2.26 -0.65 -1.95 1.96 3.02 -1.26 -3.75 115.26 110.36 3i7l n ASN 683 Ca 0.00 -1.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3i7l n ASN 683 Cb 0.00 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 3i7l n ASN 683 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3i7l n SER 684 N -0.33 0.00 -0.02 6.41 2.88 -1.21 -3.80 113.62 117.56 3i7l n SER 684 Ca -0.20 -0.64 -0.01 0.00 -1.33 0.00 0.00 58.87 56.69 3i7l n SER 684 Cb 0.57 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.03 3i7l n SER 684 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 3i7l h ASP 685 N 0.00 0.00 0.85 -3.46 1.82 -1.90 -3.22 116.42 110.50 3i7l h ASP 685 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3i7l h ASP 685 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 3i7l h ASP 685 CO 0.00 0.21 -0.18 0.61 -1.61 0.00 0.00 179.24 178.27 3i7l n GLY 686 N 1.75 -1.42 2.32 -0.78 0.00 -1.26 -4.48 105.19 101.33 3i7l n GLY 686 Ca -0.02 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3i7l n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i7l n TYR 687 N -1.53 -0.87 -0.35 1.61 4.01 -1.26 -4.92 117.16 113.85 3i7l n TYR 687 Ca 0.06 -3.24 -0.29 0.00 -0.16 0.00 0.00 57.90 54.27 3i7l n TYR 687 Cb 0.34 0.10 0.27 0.00 -0.31 0.00 0.00 39.34 39.74 3i7l n TYR 687 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3i7l n PRO 688 N 0.99 -3.79 0.00 -0.72 -0.02 -1.22 -3.29 135.00 126.96 3i7l n PRO 688 Ca 0.19 -1.11 0.00 0.00 -2.02 0.00 0.00 63.50 60.56 3i7l n PRO 688 Cb 0.60 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3i7l n PRO 688 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i7l n ASP 689 N -4.97 0.00 -0.34 2.55 4.64 -1.26 -4.52 116.55 112.65 3i7l n ASP 689 Ca 0.08 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.49 3i7l n ASP 689 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.64 3i7l n ASP 689 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3i7l n SER 690 N 0.00 0.00 -3.66 1.67 2.88 -1.25 -4.63 113.62 108.63 3i7l n SER 690 Ca 0.00 -0.34 -0.07 0.00 -1.33 0.00 0.00 58.87 57.12 3i7l n SER 690 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3i7l n SER 690 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3i7l s LEU 691 N 0.00 -0.67 0.21 2.46 1.43 -0.97 -1.85 118.68 119.29 3i7l s LEU 691 Ca 0.00 1.22 -0.21 0.00 -1.03 0.00 0.00 54.13 54.11 3i7l s LEU 691 Cb 0.00 1.81 -0.08 0.00 0.03 0.00 0.00 46.19 47.95 3i7l s LEU 691 CO 0.00 -0.22 0.73 0.00 0.23 0.00 0.00 176.35 177.09 3i7l s ALA 692 N 2.08 3.42 -0.14 4.21 0.00 0.24 -3.03 121.76 128.54 3i7l s ALA 692 Ca -0.07 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 3i7l s ALA 692 Cb -0.09 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.23 3i7l s ALA 692 CO -0.16 0.32 0.03 -0.51 0.00 0.00 0.00 175.76 175.44 3i7l s LEU 693 N -1.81 0.78 -0.26 0.00 1.02 0.92 -2.40 118.68 116.93 3i7l s LEU 693 Ca 0.42 -0.47 -0.22 0.00 0.02 0.00 0.00 54.13 53.88 3i7l s LEU 693 Cb -0.18 -0.46 -0.01 0.00 0.02 0.00 0.00 46.19 45.56 3i7l s LEU 693 CO 0.22 -0.27 0.69 0.00 0.02 0.00 0.00 176.35 177.01 3i7l s ALA 694 N 1.96 3.60 0.35 4.21 0.00 0.18 -1.84 121.76 130.22 3i7l s ALA 694 Ca 0.02 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3i7l s ALA 694 Cb -0.15 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3i7l s ALA 694 CO -0.07 -0.90 0.07 0.27 0.00 0.00 0.00 175.76 175.13 3i7l n ASN 695 N 5.84 2.76 0.00 0.00 6.94 -1.17 -0.05 115.26 129.58 3i7l n ASN 695 Ca 0.01 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 3i7l n ASN 695 Cb 0.49 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 3i7l n ASN 695 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3i7l n ASN 696 N -1.37 0.00 -2.70 0.53 2.85 -1.26 -3.77 115.26 109.53 3i7l n ASN 696 Ca -0.11 0.29 -0.09 0.00 -0.11 0.00 0.00 54.58 54.57 3i7l n ASN 696 Cb 0.43 -0.12 0.07 0.00 1.24 0.00 0.00 39.78 41.39 3i7l n ASN 696 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3i7l n SER 697 N -1.83 -0.00 -3.00 1.20 3.41 -1.26 -4.50 113.62 107.64 3i7l n SER 697 Ca 0.00 -2.65 -0.15 0.00 -0.26 0.00 0.00 58.87 55.81 3i7l n SER 697 Cb 0.00 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 3i7l n SER 697 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i7l n THR 698 N -0.25 0.00 -4.15 6.66 -1.04 -1.23 -4.19 114.28 110.08 3i7l n THR 698 Ca 0.05 -1.84 -0.10 0.00 -2.04 0.00 0.00 64.05 60.12 3i7l n THR 698 Cb 0.82 1.10 -0.10 0.00 -1.82 0.00 0.00 70.33 70.33 3i7l n THR 698 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i7l s LEU 699 N 0.00 1.94 0.08 -4.42 2.96 -0.30 -3.06 118.68 115.88 3i7l s LEU 699 Ca 0.30 -1.17 -0.24 0.00 -0.22 0.00 0.00 54.13 52.81 3i7l s LEU 699 Cb -0.01 0.25 0.06 0.00 0.50 0.00 0.00 46.19 46.99 3i7l s LEU 699 CO 0.22 -0.69 0.57 -0.89 -1.32 0.00 0.00 176.35 174.24 3i7l s THR 700 N -3.99 0.01 -0.17 3.68 2.01 -0.77 -3.35 115.64 113.07 3i7l s THR 700 Ca 0.21 -0.12 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 3i7l s THR 700 Cb 0.07 -1.01 0.05 0.00 0.01 0.00 0.00 72.50 71.63 3i7l s THR 700 CO -0.00 -0.07 0.43 0.27 -0.69 0.00 0.00 174.62 174.56 3i7l s ILE 701 N -2.86 -0.01 -0.09 1.82 -0.00 -1.26 -0.05 121.20 118.75 3i7l s ILE 701 Ca -0.03 0.02 -0.31 0.00 -0.00 0.00 0.00 60.65 60.33 3i7l s ILE 701 Cb -0.00 -0.62 0.12 0.00 -0.00 0.00 0.00 42.46 41.96 3i7l s ILE 701 CO -0.05 0.01 1.39 -0.83 -0.00 0.00 0.00 174.94 175.46 3i7l s GLY 702 N 0.56 -0.32 0.59 6.27 0.00 -1.17 -2.73 107.32 110.52 3i7l s GLY 702 Ca -0.03 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.16 3i7l s GLY 702 CO -0.03 4.32 0.81 -1.30 0.00 0.00 0.00 173.10 176.90 3i7l n THR 703 N -0.80 0.00 -4.15 0.90 -2.24 -1.26 -2.29 114.28 104.45 3i7l n THR 703 Ca 0.00 -1.38 -0.16 0.00 -2.27 0.00 0.00 64.05 60.24 3i7l n THR 703 Cb 0.60 -0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 67.81 3i7l n THR 703 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3i7l s ILE 704 N -2.48 0.79 1.24 2.28 2.07 -1.26 -2.79 121.20 121.05 3i7l s ILE 704 Ca 0.55 -1.07 -0.21 0.00 -1.41 0.00 0.00 60.65 58.52 3i7l s ILE 704 Cb -0.03 -0.79 0.30 0.00 0.13 0.00 0.00 42.46 42.07 3i7l s ILE 704 CO 0.36 -0.23 1.12 -0.62 -1.91 0.00 0.00 174.94 173.66 3i7l s ASP 705 N -1.44 0.63 0.00 4.50 2.15 -0.83 -5.03 116.67 116.65 3i7l s ASP 705 Ca -0.05 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.45 3i7l s ASP 705 Cb -0.09 -0.67 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 3i7l s ASP 705 CO 0.01 -4.29 0.00 1.21 -0.17 0.00 0.00 175.17 171.93 3i7l n GLU 706 N -4.86 0.00 0.06 4.34 4.07 -1.26 -4.94 120.64 118.06 3i7l n GLU 706 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3i7l n GLU 706 Cb 0.60 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.98 3i7l n GLU 706 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 3i7l n ILE 707 N 0.00 0.00 -0.49 6.31 -0.00 -1.26 -5.09 119.36 118.82 3i7l n ILE 707 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.57 3i7l n ILE 707 Cb 0.00 -0.03 0.02 0.00 -0.00 0.00 0.00 39.64 39.63 3i7l n ILE 707 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3i7l n GLN 708 N -2.78 0.00 -0.21 0.38 10.64 -1.26 -4.86 117.38 119.29 3i7l n GLN 708 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 3i7l n GLN 708 Cb 0.00 -0.49 0.04 0.00 -0.86 0.00 0.00 30.24 28.92 3i7l n GLN 708 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3i7l h LYS 709 N -0.49 0.81 -5.50 2.61 3.64 -1.96 -3.43 116.57 112.24 3i7l h LYS 709 Ca -0.21 -0.06 -0.64 0.00 -1.27 0.00 0.00 60.65 58.47 3i7l h LYS 709 Cb 0.66 -0.18 -0.12 0.00 -0.41 0.00 0.00 32.23 32.17 3i7l h LYS 709 CO 0.11 0.55 -0.54 -0.51 -2.27 0.00 0.00 179.45 176.80 3i7l s LEU 710 N -10.11 4.02 -0.04 5.20 1.02 -1.26 -0.89 118.68 116.61 3i7l s LEU 710 Ca -0.13 0.23 -0.18 0.00 0.02 0.00 0.00 54.13 54.07 3i7l s LEU 710 Cb 0.13 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 44.30 3i7l s LEU 710 CO 0.76 0.28 0.50 -2.28 0.02 0.00 0.00 176.35 175.63 3i7l s HIS 711 N -0.26 3.64 -0.10 0.29 5.65 0.17 -4.93 115.29 119.75 3i7l s HIS 711 Ca 0.09 1.03 -0.00 0.00 0.25 0.00 0.00 55.06 56.43 3i7l s HIS 711 Cb -0.12 -2.49 0.02 0.00 -1.18 0.00 0.00 32.58 28.81 3i7l s HIS 711 CO 0.01 0.38 -0.06 0.42 -0.65 0.00 0.00 174.74 174.84 3i7l s ILE 712 N -0.19 0.90 -0.08 0.89 1.01 -1.26 -0.20 121.20 122.27 3i7l s ILE 712 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.69 3i7l s ILE 712 Cb -0.17 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.36 3i7l s ILE 712 CO 0.14 0.34 0.04 -0.09 0.00 0.00 0.00 174.94 175.37 3i7l h ARG 713 N 8.09 -0.03 -2.76 2.79 1.12 -0.68 -3.47 114.38 119.43 3i7l h ARG 713 Ca -0.28 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 3i7l h ARG 713 Cb 1.13 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.10 3i7l h ARG 713 CO 0.39 -0.02 -0.08 2.41 -3.11 0.00 0.00 179.97 179.55 3i7l n THR 714 N -4.26 -3.26 -3.93 0.20 -1.04 -1.25 -4.89 114.28 95.85 3i7l n THR 714 Ca -0.00 0.18 -0.32 0.00 -2.04 0.00 0.00 64.05 61.86 3i7l n THR 714 Cb 0.01 -3.50 -0.14 0.00 -1.82 0.00 0.00 70.33 64.89 3i7l n THR 714 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i7l s VAL 715 N -0.04 2.65 0.55 12.58 1.01 0.43 -4.98 120.40 132.60 3i7l s VAL 715 Ca -0.01 -2.44 -0.22 0.00 0.00 0.00 0.00 61.98 59.31 3i7l s VAL 715 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3i7l s VAL 715 CO 0.03 -0.67 1.37 -2.65 0.00 0.00 0.00 175.10 173.18 3i7l n PRO 716 N 4.14 1.68 0.00 2.72 -0.02 -1.26 -1.24 135.00 141.02 3i7l n PRO 716 Ca 0.03 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3i7l n PRO 716 Cb 0.40 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3i7l n PRO 716 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i7l n LEU 717 N -1.05 0.00 -1.16 2.45 4.77 -0.48 -4.86 117.00 116.67 3i7l n LEU 717 Ca 0.11 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 3i7l n LEU 717 Cb 0.45 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3i7l n LEU 717 CO 0.53 0.00 -0.14 -1.22 -1.33 0.00 0.00 177.39 175.23 3i7l n TYR 718 N -1.17 -0.01 -3.86 -1.77 4.02 -1.21 -1.94 117.16 111.22 3i7l n TYR 718 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3i7l n TYR 718 Cb 0.05 -3.05 -0.04 0.00 -0.02 0.00 0.00 39.34 36.29 3i7l n TYR 718 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3i7l s GLU 719 N -3.26 1.53 -0.52 -0.72 -1.05 -0.81 -4.19 118.70 109.69 3i7l s GLU 719 Ca 0.00 -1.03 -0.27 0.00 -0.15 0.00 0.00 54.97 53.51 3i7l s GLU 719 Cb 0.00 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.21 3i7l s GLU 719 CO 0.00 -0.66 1.67 -1.12 0.95 0.00 0.00 175.26 176.10 3i7l s SER 720 N -2.94 5.76 0.18 0.83 0.01 -0.71 -3.91 113.70 112.92 3i7l s SER 720 Ca 0.14 0.55 -0.30 0.00 1.31 0.00 0.00 55.95 57.66 3i7l s SER 720 Cb -0.02 -2.53 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 3i7l s SER 720 CO 0.04 -1.95 0.97 -2.16 0.41 0.00 0.00 173.24 170.54 3i7l s PRO 721 N 6.10 4.76 0.00 12.44 0.04 -1.26 -1.62 135.00 155.45 3i7l s PRO 721 Ca 0.64 1.50 0.00 0.00 0.04 0.00 0.00 61.00 63.19 3i7l s PRO 721 Cb -0.14 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3i7l s PRO 721 CO 0.26 0.34 0.00 0.54 0.04 0.00 0.00 177.00 178.17 3i7l n ARG 722 N 2.12 2.55 -3.94 4.56 1.74 0.17 -4.67 116.66 119.20 3i7l n ARG 722 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 3i7l n ARG 722 Cb 0.48 -0.95 -0.08 0.00 -1.02 0.00 0.00 32.46 30.88 3i7l n ARG 722 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3i7l s LYS 723 N -1.90 0.72 -0.10 5.56 -0.14 -1.20 -4.51 119.74 118.17 3i7l s LYS 723 Ca 0.00 -0.99 -0.08 0.00 -1.36 0.00 0.00 55.97 53.54 3i7l s LYS 723 Cb 0.00 0.28 0.03 0.00 -1.68 0.00 0.00 37.83 36.46 3i7l s LYS 723 CO 0.00 -0.19 0.27 -1.50 -0.76 0.00 0.00 175.35 173.16 3i7l s ILE 724 N -3.59 -0.01 0.01 2.17 2.07 -1.26 -1.31 121.20 119.28 3i7l s ILE 724 Ca 0.03 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 3i7l s ILE 724 Cb 0.04 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3i7l s ILE 724 CO -0.09 0.02 -0.04 0.00 -1.91 0.00 0.00 174.94 172.91 3i7l s TYR 726 N -0.36 3.47 -0.37 0.00 5.04 -1.26 0.66 117.35 124.53 3i7l s TYR 726 Ca -0.01 0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 55.37 3i7l s TYR 726 Cb -0.03 -2.51 0.08 0.00 0.35 0.00 0.00 41.96 39.85 3i7l s TYR 726 CO -0.00 0.14 0.14 -1.14 -1.34 0.00 0.00 175.55 173.36 3i7l s GLN 727 N 0.74 2.22 0.19 4.97 0.74 -0.42 -4.89 119.66 123.21 3i7l s GLN 727 Ca 0.23 -1.58 -0.11 0.00 0.05 0.00 0.00 55.36 53.94 3i7l s GLN 727 Cb -0.15 -3.48 0.11 0.00 1.10 0.00 0.00 33.01 30.60 3i7l s GLN 727 CO 0.09 -0.90 1.81 0.93 -0.55 0.00 0.00 175.29 176.66 3i7l h GLU 728 N 8.08 0.94 -0.00 1.67 5.08 -1.96 0.13 114.58 128.52 3i7l h GLU 728 Ca -0.17 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3i7l h GLU 728 Cb 1.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3i7l h GLU 728 CO 0.65 0.70 -0.28 -0.39 -1.00 0.00 0.00 179.01 178.69 3i7l h VAL 729 N 0.92 1.20 0.00 3.13 -1.51 -1.95 0.17 116.25 118.22 3i7l h VAL 729 Ca 0.24 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3i7l h VAL 729 Cb 0.04 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3i7l h VAL 729 CO -0.04 0.27 -0.71 0.28 -1.23 0.00 0.00 177.57 176.15 3i7l h SER 730 N 0.01 0.00 -6.03 4.19 0.02 -1.83 -3.48 113.55 106.42 3i7l h SER 730 Ca -0.00 -0.08 -0.41 0.00 -0.84 0.00 0.00 61.79 60.46 3i7l h SER 730 Cb 0.50 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.10 3i7l h SER 730 CO 0.04 0.04 -0.82 0.00 -1.14 0.00 0.00 176.83 174.95 3i7l n GLN 731 N -2.50 -5.16 -3.92 3.45 1.13 0.61 -4.98 117.38 106.01 3i7l n GLN 731 Ca 0.02 0.65 -0.08 0.00 -1.94 0.00 0.00 57.00 55.65 3i7l n GLN 731 Cb 0.50 -5.28 -0.03 0.00 0.11 0.00 0.00 30.24 25.54 3i7l n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i7l s PHE 733 N -3.82 3.20 -0.12 0.00 0.40 0.66 -1.31 117.98 116.99 3i7l s PHE 733 Ca 0.17 0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 56.48 3i7l s PHE 733 Cb -0.04 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 3i7l s PHE 733 CO 0.09 0.42 0.51 0.20 0.70 0.00 0.00 175.22 177.13 3i7l s GLY 734 N -0.67 2.38 -0.03 4.36 0.00 0.21 -0.43 107.32 113.14 3i7l s GLY 734 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.66 3i7l s GLY 734 CO 0.02 0.85 -0.02 0.14 0.00 0.00 0.00 173.10 174.10 3i7l s VAL 735 N 0.76 0.29 -0.19 1.40 1.01 -0.21 -1.11 120.40 122.36 3i7l s VAL 735 Ca 0.27 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 3i7l s VAL 735 Cb -0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3i7l s VAL 735 CO 0.11 0.16 0.56 -0.76 0.00 0.00 0.00 175.10 175.16 3i7l s LEU 736 N 0.83 4.16 0.25 3.92 1.43 -0.42 0.09 118.68 128.94 3i7l s LEU 736 Ca -0.09 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.79 3i7l s LEU 736 Cb -0.12 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.27 3i7l s LEU 736 CO -0.01 -0.20 0.02 -0.94 0.23 0.00 0.00 176.35 175.46 3i7l s SER 737 N 1.13 1.79 -0.00 2.29 1.04 -0.69 0.42 113.70 119.68 3i7l s SER 737 Ca 0.26 -1.27 0.01 0.00 0.48 0.00 0.00 55.95 55.42 3i7l s SER 737 Cb -0.16 0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3i7l s SER 737 CO 0.10 -0.57 -0.02 -0.55 0.98 0.00 0.00 173.24 173.18 3i7l s SER 738 N -3.33 0.26 0.09 7.02 0.15 -0.64 -1.06 113.70 116.19 3i7l s SER 738 Ca 0.31 -0.04 0.08 0.00 0.70 0.00 0.00 55.95 57.00 3i7l s SER 738 Cb 0.07 -0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 3i7l s SER 738 CO 0.11 0.02 -0.20 0.00 1.20 0.00 0.00 173.24 174.36 3i7l s ARG 739 N 0.03 1.08 0.02 5.44 1.70 0.10 -1.75 118.95 125.58 3i7l s ARG 739 Ca 0.00 -1.12 -0.13 0.00 -0.47 0.00 0.00 55.73 54.01 3i7l s ARG 739 Cb -0.02 -1.30 -0.06 0.00 -0.57 0.00 0.00 34.95 33.00 3i7l s ARG 739 CO -0.00 0.30 0.40 0.42 -1.08 0.00 0.00 175.30 175.34 3i7l s ILE 740 N -1.16 5.05 0.03 4.99 1.01 -1.26 0.00 121.20 129.86 3i7l s ILE 740 Ca 0.05 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3i7l s ILE 740 Cb -0.10 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3i7l s ILE 740 CO 0.04 0.51 -0.08 -1.61 0.00 0.00 0.00 174.94 173.80 3i7l s GLU 741 N -1.28 0.54 0.54 2.79 2.02 0.14 -4.12 118.70 119.34 3i7l s GLU 741 Ca 0.26 -0.56 0.07 0.00 0.02 0.00 0.00 54.97 54.76 3i7l s GLU 741 Cb -0.16 -0.41 0.06 0.00 0.10 0.00 0.00 34.13 33.72 3i7l s GLU 741 CO 0.14 0.09 0.75 0.14 0.02 0.00 0.00 175.26 176.41 3i7l s VAL 742 N -0.87 2.47 0.37 2.63 -7.23 -1.26 -0.74 120.40 115.76 3i7l s VAL 742 Ca -0.04 -0.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.94 3i7l s VAL 742 Cb -0.07 -2.56 -0.11 0.00 0.56 0.00 0.00 36.38 34.20 3i7l s VAL 742 CO 0.00 0.00 1.45 -1.58 -0.31 0.00 0.00 175.10 174.67 3i7l s GLN 743 N -4.65 4.15 0.53 4.82 0.74 0.11 -3.51 119.66 121.87 3i7l s GLN 743 Ca 0.60 2.51 0.00 0.00 0.05 0.00 0.00 55.36 58.52 3i7l s GLN 743 Cb -0.07 -2.99 0.02 0.00 1.10 0.00 0.00 33.01 31.07 3i7l s GLN 743 CO 0.38 -0.47 0.76 0.34 -0.55 0.00 0.00 175.29 175.75 3i7l s ASP 744 N -0.20 5.41 0.32 6.67 2.15 0.21 -4.65 116.67 126.57 3i7l s ASP 744 Ca 0.52 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.61 3i7l s ASP 744 Cb -0.45 -1.07 0.52 0.00 -0.30 0.00 0.00 42.92 41.61 3i7l s ASP 744 CO 0.61 -1.05 1.95 0.71 -0.17 0.00 0.00 175.17 177.23 3i7l h THR 745 N 0.12 1.19 -0.84 1.71 1.35 -1.96 -2.60 112.91 111.89 3i7l h THR 745 Ca -0.43 -0.45 -0.50 0.00 -0.55 0.00 0.00 66.41 64.48 3i7l h THR 745 Cb 1.28 0.26 -0.25 0.00 -1.73 0.00 0.00 68.15 67.71 3i7l h THR 745 CO 0.54 0.21 0.65 -0.24 -0.25 0.00 0.00 175.52 176.42 3i7l n SER 746 N -4.39 5.52 0.00 5.36 2.88 -1.26 -4.89 113.62 116.84 3i7l n SER 746 Ca 0.07 -3.46 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 3i7l n SER 746 Cb 0.08 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 3i7l n SER 746 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i7l n GLY 747 N -0.70 1.11 0.03 0.46 0.00 -0.98 -4.94 105.19 100.17 3i7l n GLY 747 Ca 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.53 3i7l n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i7l n GLY 748 N -1.93 -2.29 3.05 -0.02 0.00 -1.26 -4.36 105.19 98.38 3i7l n GLY 748 Ca 0.00 -1.47 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 3i7l n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i7l s THR 749 N -1.02 0.81 0.01 2.61 -4.23 -1.26 0.67 115.64 113.24 3i7l s THR 749 Ca 0.01 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3i7l s THR 749 Cb -0.00 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.14 3i7l s THR 749 CO 0.00 0.17 0.00 0.35 -0.54 0.00 0.00 174.62 174.60 3i7l n THR 750 N 2.66 0.09 0.00 3.99 -2.24 -1.23 -4.97 114.28 112.58 3i7l n THR 750 Ca -0.15 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3i7l n THR 750 Cb 0.56 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 3i7l n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7l n ALA 751 N -2.58 0.00 0.53 6.98 0.00 -1.26 -4.90 120.51 119.27 3i7l n ALA 751 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3i7l n ALA 751 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 3i7l n ALA 751 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i7l h LEU 752 N 0.00 0.00 -7.23 0.00 4.07 -1.98 -3.48 115.31 106.70 3i7l h LEU 752 Ca 0.00 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.14 3i7l h LEU 752 Cb 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.61 3i7l h LEU 752 CO 0.00 0.00 0.58 0.00 -1.08 0.00 0.00 178.44 177.94 3i7l s ARG 753 N -3.19 0.81 -0.01 1.13 1.70 -1.26 -5.14 118.95 112.99 3i7l s ARG 753 Ca 0.08 -0.37 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 3i7l s ARG 753 Cb 0.11 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 3i7l s ARG 753 CO 0.54 -0.36 1.33 -2.14 -1.08 0.00 0.00 175.30 173.59 3i7l s PRO 754 N -2.98 4.31 0.31 3.89 0.02 -1.26 -5.01 135.00 134.28 3i7l s PRO 754 Ca 0.09 1.88 0.09 0.00 0.02 0.00 0.00 61.00 63.08 3i7l s PRO 754 Cb -0.00 -3.54 -0.05 0.00 0.02 0.00 0.00 34.50 30.93 3i7l s PRO 754 CO -0.04 -0.51 0.01 -1.12 -0.33 0.00 0.00 177.00 175.01 3i7l s SER 755 N 1.68 4.33 0.52 2.53 0.01 -1.26 -4.85 113.70 116.66 3i7l s SER 755 Ca 0.61 -0.86 0.34 0.00 1.31 0.00 0.00 55.95 57.35 3i7l s SER 755 Cb -0.30 -0.64 1.48 0.00 0.21 0.00 0.00 66.02 66.78 3i7l s SER 755 CO 0.26 -0.16 1.80 0.00 0.41 0.00 0.00 173.24 175.55 3i7l h ALA 756 N 1.82 2.98 -0.00 1.44 0.00 -1.70 -0.26 119.26 123.54 3i7l h ALA 756 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3i7l h ALA 756 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3i7l h ALA 756 CO 0.64 -1.32 -0.25 -1.13 0.00 0.00 0.00 179.25 177.18 3i7l n SER 757 N -4.26 0.30 -0.01 0.00 3.41 -1.26 -2.95 113.62 108.85 3i7l n SER 757 Ca 0.25 0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.97 3i7l n SER 757 Cb 1.18 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 64.90 3i7l n SER 757 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i7l n THR 758 N -1.44 0.00 -0.57 6.66 -2.24 -0.24 -4.39 114.28 112.07 3i7l n THR 758 Ca 0.07 -0.41 0.07 0.00 -2.27 0.00 0.00 64.05 61.51 3i7l n THR 758 Cb 0.33 0.11 0.18 0.00 -2.10 0.00 0.00 70.33 68.85 3i7l n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7l n GLN 759 N -2.11 2.76 -2.30 -0.78 6.02 -0.45 -4.92 117.38 115.60 3i7l n GLN 759 Ca -0.03 -2.36 -0.38 0.00 -0.01 0.00 0.00 57.00 54.22 3i7l n GLN 759 Cb 0.47 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.22 3i7l n GLN 759 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i7l s ALA 760 N -1.91 3.13 0.07 -1.58 0.00 -1.15 -4.96 121.76 115.36 3i7l s ALA 760 Ca 0.29 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 3i7l s ALA 760 Cb 0.21 -3.38 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 3i7l s ALA 760 CO 0.10 -0.53 1.64 -0.07 0.00 0.00 0.00 175.76 176.90 3i7l h LEU 761 N 2.55 0.02 -9.15 0.00 3.38 -1.24 -3.42 115.31 107.45 3i7l h LEU 761 Ca -0.49 -0.10 -0.66 0.00 0.09 0.00 0.00 57.88 56.72 3i7l h LEU 761 Cb 1.24 -0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.81 3i7l h LEU 761 CO 0.62 0.12 -0.78 -0.44 0.09 0.00 0.00 178.44 178.05 3i7l s SER 762 N -5.31 3.92 0.17 -0.43 0.01 -0.26 -5.01 113.70 106.77 3i7l s SER 762 Ca -0.14 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.47 3i7l s SER 762 Cb 0.05 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.70 3i7l s SER 762 CO 0.67 0.15 0.15 -0.94 0.41 0.00 0.00 173.24 173.67 3i7l s SER 763 N -2.43 0.18 0.02 2.44 1.04 -1.26 -1.61 113.70 112.08 3i7l s SER 763 Ca 0.20 -1.19 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 3i7l s SER 763 Cb -0.10 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.49 3i7l s SER 763 CO 0.12 -0.83 0.91 -0.94 0.98 0.00 0.00 173.24 173.48 3i7l s SER 764 N -3.07 -0.32 0.19 7.02 1.04 0.14 -4.90 113.70 113.80 3i7l s SER 764 Ca 0.28 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3i7l s SER 764 Cb 0.06 0.40 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 3i7l s SER 764 CO 0.06 -0.66 0.03 -0.69 0.98 0.00 0.00 173.24 172.95 3i7l s VAL 765 N -3.13 0.57 -0.36 5.02 1.01 -1.26 0.05 120.40 122.28 3i7l s VAL 765 Ca 0.06 -1.98 -0.20 0.00 0.00 0.00 0.00 61.98 59.87 3i7l s VAL 765 Cb -0.01 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3i7l s VAL 765 CO -0.07 -0.36 0.60 -0.44 0.00 0.00 0.00 175.10 174.84 3i7l s SER 766 N -3.19 6.39 -0.30 3.32 0.01 -1.09 -4.83 113.70 114.02 3i7l s SER 766 Ca 0.27 0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.63 3i7l s SER 766 Cb 0.07 -2.31 0.54 0.00 0.21 0.00 0.00 66.02 64.52 3i7l s SER 766 CO 0.06 -0.58 1.63 -1.20 0.41 0.00 0.00 173.24 173.55 3i7l n SER 767 N 5.99 3.86 -4.80 2.44 7.64 -1.26 -4.86 113.62 122.62 3i7l n SER 767 Ca -0.02 -3.07 -0.35 0.00 1.01 0.00 0.00 58.87 56.43 3i7l n SER 767 Cb 0.49 -0.72 -0.07 0.00 -1.01 0.00 0.00 64.21 62.89 3i7l n SER 767 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i7l s SER 768 N -0.69 7.13 -0.07 6.43 0.15 -1.26 -4.98 113.70 120.40 3i7l s SER 768 Ca 0.43 1.78 0.11 0.00 0.70 0.00 0.00 55.95 58.96 3i7l s SER 768 Cb 0.35 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 62.30 3i7l s SER 768 CO 0.09 -0.22 1.10 0.29 1.20 0.00 0.00 173.24 175.70 3i7l n LYS 769 N -0.03 0.66 0.00 5.44 4.76 -1.26 -4.91 118.16 122.82 3i7l n LYS 769 Ca 0.04 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.53 3i7l n LYS 769 Cb 0.52 -0.95 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 3i7l n LYS 769 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i7l n LEU 770 N -0.62 0.29 -4.54 -0.35 4.77 -1.26 -4.57 117.00 110.73 3i7l n LEU 770 Ca 0.09 0.03 -0.14 0.00 -0.03 0.00 0.00 56.01 55.96 3i7l n LEU 770 Cb 0.72 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 3i7l n LEU 770 CO -0.00 0.00 1.24 0.49 -1.33 0.00 0.00 177.39 177.78 3i7l n PHE 771 N -0.08 0.93 -3.32 -1.77 3.01 -1.26 -4.75 117.46 110.22 3i7l n PHE 771 Ca 0.00 -0.06 -0.12 0.00 1.01 0.00 0.00 57.45 58.28 3i7l n PHE 771 Cb 0.00 -2.34 -0.06 0.00 -0.01 0.00 0.00 39.48 37.07 3i7l n PHE 771 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i7l s SER 772 N 8.78 0.56 0.00 4.37 1.04 -1.26 -5.12 113.70 122.07 3i7l s SER 772 Ca 0.89 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3i7l s SER 772 Cb -0.17 0.92 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3i7l s SER 772 CO 0.15 -0.27 0.00 -1.54 0.98 0.00 0.00 173.24 172.56 3i7l n SER 773 N 4.58 0.00 0.00 7.02 3.41 -1.26 -5.20 113.62 122.17 3i7l n SER 773 Ca 0.08 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 3i7l n SER 773 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3i7l n SER 773 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i7l n GLY 783 N 0.00 0.00 2.95 5.00 0.00 -1.26 -5.33 105.19 106.56 3i7l n GLY 783 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i7l n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7l s GLU 784 N 0.00 0.12 -0.04 1.61 2.02 -1.26 -4.90 118.70 116.25 3i7l s GLU 784 Ca 0.00 0.46 -0.06 0.00 0.02 0.00 0.00 54.97 55.39 3i7l s GLU 784 Cb 0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 3i7l s GLU 784 CO 0.00 -0.19 0.21 -1.21 0.02 0.00 0.00 175.26 174.09 3i7l s GLU 785 N 1.39 3.51 -0.06 1.61 2.02 -1.26 0.09 118.70 125.99 3i7l s GLU 785 Ca -0.07 -0.14 -0.08 0.00 0.02 0.00 0.00 54.97 54.69 3i7l s GLU 785 Cb -0.11 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 31.01 3i7l s GLU 785 CO -0.07 0.70 0.21 0.54 0.02 0.00 0.00 175.26 176.67 3i7l s VAL 786 N -1.21 0.02 -0.32 2.63 0.11 0.08 -5.00 120.40 116.71 3i7l s VAL 786 Ca 0.23 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.92 3i7l s VAL 786 Cb -0.13 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3i7l s VAL 786 CO 0.13 -0.11 0.42 -1.61 -3.33 0.00 0.00 175.10 170.60 3i7l s GLU 787 N -0.36 3.75 -0.10 1.54 2.02 -1.26 -0.69 118.70 123.60 3i7l s GLU 787 Ca -0.05 -0.16 -0.16 0.00 0.02 0.00 0.00 54.97 54.63 3i7l s GLU 787 Cb -0.03 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 3i7l s GLU 787 CO 0.01 -0.48 0.42 0.08 0.02 0.00 0.00 175.26 175.31 3i7l s VAL 788 N 2.17 5.18 -0.03 2.63 1.01 0.10 -4.65 120.40 126.80 3i7l s VAL 788 Ca 0.15 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3i7l s VAL 788 Cb -0.16 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3i7l s VAL 788 CO 0.11 0.40 -0.07 -1.00 0.00 0.00 0.00 175.10 174.55 3i7l s HIS 789 N 0.16 2.91 0.13 5.22 3.76 -1.26 0.02 115.29 126.23 3i7l s HIS 789 Ca 0.23 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 3i7l s HIS 789 Cb -0.15 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 3i7l s HIS 789 CO 0.09 0.35 -0.02 -0.80 -0.85 0.00 0.00 174.74 173.51 3i7l s ASN 790 N -1.10 1.02 -0.28 1.40 0.01 -0.22 -1.68 114.94 114.10 3i7l s ASN 790 Ca 0.15 -1.10 0.01 0.00 -0.71 0.00 0.00 52.86 51.21 3i7l s ASN 790 Cb -0.11 0.14 0.06 0.00 0.41 0.00 0.00 41.25 41.74 3i7l s ASN 790 CO 0.04 -0.55 -0.06 -0.22 -1.51 0.00 0.00 177.10 174.81 3i7l s LEU 791 N -3.09 3.65 0.21 0.60 2.96 -0.64 -1.71 118.68 120.67 3i7l s LEU 791 Ca 0.18 -1.34 -0.21 0.00 -0.22 0.00 0.00 54.13 52.54 3i7l s LEU 791 Cb 0.06 -1.62 -0.08 0.00 0.50 0.00 0.00 46.19 45.04 3i7l s LEU 791 CO -0.01 -0.22 0.74 -0.76 -1.32 0.00 0.00 176.35 174.78 3i7l s LEU 792 N 1.17 4.39 -0.37 -0.68 1.43 0.11 -2.54 118.68 122.19 3i7l s LEU 792 Ca -0.07 1.48 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 3i7l s LEU 792 Cb -0.20 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.57 3i7l s LEU 792 CO -0.03 0.06 0.13 -0.63 0.23 0.00 0.00 176.35 176.11 3i7l s ILE 793 N -1.45 3.15 -0.17 -0.59 -1.09 0.43 -1.04 121.20 120.43 3i7l s ILE 793 Ca 0.42 -1.86 -0.09 0.00 -2.23 0.00 0.00 60.65 56.89 3i7l s ILE 793 Cb -0.18 -3.06 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3i7l s ILE 793 CO 0.22 -0.50 0.13 -0.63 -1.23 0.00 0.00 174.94 172.92 3i7l s ILE 794 N 1.16 5.40 0.60 2.92 1.09 0.43 -0.13 121.20 132.67 3i7l s ILE 794 Ca 0.04 0.18 -0.17 0.00 -1.10 0.00 0.00 60.65 59.60 3i7l s ILE 794 Cb -0.22 -3.42 -0.03 0.00 -1.06 0.00 0.00 42.46 37.73 3i7l s ILE 794 CO -0.03 0.51 1.12 -0.62 -0.10 0.00 0.00 174.94 175.81 3i7l s ASP 795 N -0.14 5.43 0.07 3.58 -1.08 -0.31 -0.25 116.67 123.98 3i7l s ASP 795 Ca 0.10 2.07 -0.10 0.00 -0.52 0.00 0.00 52.55 54.11 3i7l s ASP 795 Cb -0.11 -2.56 -0.27 0.00 -1.46 0.00 0.00 42.92 38.51 3i7l s ASP 795 CO 0.00 -1.41 1.13 -0.61 0.52 0.00 0.00 175.17 174.80 3i7l h GLN 796 N 0.61 0.45 0.03 4.34 4.15 -1.90 -2.78 115.11 120.01 3i7l h GLN 796 Ca -0.48 -0.66 -0.38 0.00 0.77 0.00 0.00 58.65 57.89 3i7l h GLN 796 Cb 1.25 0.23 -0.05 0.00 0.21 0.00 0.00 27.48 29.12 3i7l h GLN 796 CO 0.56 1.29 -2.26 0.72 -1.93 0.00 0.00 178.83 177.20 3i7l n HIS 797 N -3.67 0.42 0.32 3.99 -0.00 -1.26 -4.58 115.22 110.44 3i7l n HIS 797 Ca -0.11 0.11 0.12 0.00 -0.00 0.00 0.00 57.72 57.83 3i7l n HIS 797 Cb 1.00 -1.05 0.05 0.00 -0.00 0.00 0.00 29.99 29.99 3i7l n HIS 797 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 3i7l n THR 798 N -3.57 0.43 -2.88 1.59 -2.24 -1.26 -4.95 114.28 101.39 3i7l n THR 798 Ca -0.43 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 60.76 3i7l n THR 798 Cb 0.96 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 3i7l n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i7l n PHE 799 N -2.36 -1.63 -3.18 4.78 3.01 -1.05 -4.98 117.46 112.05 3i7l n PHE 799 Ca 0.01 0.26 -0.32 0.00 1.01 0.00 0.00 57.45 58.41 3i7l n PHE 799 Cb 0.50 -3.09 -0.05 0.00 -0.01 0.00 0.00 39.48 36.83 3i7l n PHE 799 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i7l s GLU 800 N -5.51 3.87 -0.87 -1.08 -1.05 -1.26 -4.75 118.70 108.05 3i7l s GLU 800 Ca 0.20 0.46 -0.25 0.00 -0.15 0.00 0.00 54.97 55.23 3i7l s GLU 800 Cb -0.10 -2.50 0.03 0.00 -0.44 0.00 0.00 34.13 31.12 3i7l s GLU 800 CO 0.24 0.17 1.40 0.08 0.95 0.00 0.00 175.26 178.11 3i7l s VAL 801 N -2.02 3.79 0.15 1.83 1.01 -1.26 -1.16 120.40 122.74 3i7l s VAL 801 Ca 0.51 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 3i7l s VAL 801 Cb -0.11 -4.91 0.01 0.00 0.00 0.00 0.00 36.38 31.37 3i7l s VAL 801 CO 0.22 -1.83 1.56 -0.07 0.00 0.00 0.00 175.10 174.98 3i7l h LEU 802 N 13.23 0.96 -7.59 3.92 3.38 -0.89 -0.84 115.31 127.48 3i7l h LEU 802 Ca -0.05 -0.37 -0.13 0.00 0.09 0.00 0.00 57.88 57.42 3i7l h LEU 802 Cb 1.03 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 41.31 3i7l h LEU 802 CO 1.34 1.11 -0.36 -2.28 0.09 0.00 0.00 178.44 178.34 3i7l s HIS 803 N -4.77 -0.11 -0.14 1.13 5.04 -1.17 -1.11 115.29 114.16 3i7l s HIS 803 Ca -0.12 0.15 -0.02 0.00 -1.54 0.00 0.00 55.06 53.54 3i7l s HIS 803 Cb 0.12 0.04 0.04 0.00 0.04 0.00 0.00 32.58 32.83 3i7l s HIS 803 CO 0.85 -0.33 0.00 0.00 -2.34 0.00 0.00 174.74 172.92 3i7l s ALA 804 N -1.23 1.01 -0.22 1.58 0.00 -0.63 -0.43 121.76 121.84 3i7l s ALA 804 Ca -0.13 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 3i7l s ALA 804 Cb -0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 3i7l s ALA 804 CO 0.03 -0.83 0.13 -1.58 0.00 0.00 0.00 175.76 173.51 3i7l s HIS 805 N 1.85 3.33 0.21 0.00 5.04 -1.05 -0.69 115.29 123.97 3i7l s HIS 805 Ca 0.02 0.21 -0.05 0.00 -1.54 0.00 0.00 55.06 53.70 3i7l s HIS 805 Cb -0.15 -2.20 -0.05 0.00 0.04 0.00 0.00 32.58 30.22 3i7l s HIS 805 CO -0.07 0.14 0.45 -1.14 -2.34 0.00 0.00 174.74 171.78 3i7l s GLN 806 N 0.73 3.62 0.51 2.88 0.74 0.11 -1.62 119.66 126.63 3i7l s GLN 806 Ca 0.07 -0.07 0.09 0.00 0.05 0.00 0.00 55.36 55.50 3i7l s GLN 806 Cb -0.13 -2.76 0.05 0.00 1.10 0.00 0.00 33.01 31.27 3i7l s GLN 806 CO 0.02 0.36 0.67 -0.06 -0.55 0.00 0.00 175.29 175.73 3i7l s PHE 807 N -1.84 1.98 0.79 1.67 0.40 -0.67 -2.66 117.98 117.64 3i7l s PHE 807 Ca 0.42 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 3i7l s PHE 807 Cb -0.11 -2.25 0.07 0.00 0.51 0.00 0.00 43.02 41.24 3i7l s PHE 807 CO 0.26 -0.81 1.20 1.28 0.70 0.00 0.00 175.22 177.86 3i7l n LEU 808 N -2.04 4.58 -4.67 -0.37 4.77 -1.26 -4.71 117.00 113.30 3i7l n LEU 808 Ca 0.11 0.62 -0.46 0.00 -0.03 0.00 0.00 56.01 56.25 3i7l n LEU 808 Cb 0.61 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.14 3i7l n LEU 808 CO 0.40 -1.63 1.19 1.67 -1.33 0.00 0.00 177.39 177.69 3i7l n GLN 809 N -3.07 2.11 -1.12 3.23 7.27 -1.26 -1.93 117.38 122.60 3i7l n GLN 809 Ca 0.14 0.76 -0.04 0.00 0.07 0.00 0.00 57.00 57.93 3i7l n GLN 809 Cb 0.50 -2.53 -0.02 0.00 2.41 0.00 0.00 30.24 30.61 3i7l n GLN 809 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3i7l n ASN 810 N 3.44 -3.96 -4.51 1.69 3.02 -1.26 -4.98 115.26 108.69 3i7l n ASN 810 Ca 0.17 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.41 3i7l n ASN 810 Cb 0.28 -1.84 -0.10 0.00 -0.61 0.00 0.00 39.78 37.52 3i7l n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i7l s GLU 811 N -1.81 3.37 -0.05 3.52 2.12 -0.82 -1.01 118.70 124.03 3i7l s GLU 811 Ca 0.00 -0.69 -0.17 0.00 0.36 0.00 0.00 54.97 54.47 3i7l s GLU 811 Cb 0.00 -3.85 -0.05 0.00 0.26 0.00 0.00 34.13 30.48 3i7l s GLU 811 CO 0.00 -0.55 0.45 0.71 -0.54 0.00 0.00 175.26 175.33 3i7l s TYR 812 N 1.79 3.64 -0.24 5.30 4.12 0.95 -4.46 117.35 128.45 3i7l s TYR 812 Ca 0.07 0.97 -0.17 0.00 0.02 0.00 0.00 57.07 57.96 3i7l s TYR 812 Cb -0.18 -2.42 -0.03 0.00 -1.52 0.00 0.00 41.96 37.81 3i7l s TYR 812 CO 0.11 0.43 0.45 0.00 0.02 0.00 0.00 175.55 176.56 3i7l s ALA 813 N -0.32 3.57 -0.14 3.71 0.00 -1.26 -0.04 121.76 127.27 3i7l s ALA 813 Ca 0.25 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.63 3i7l s ALA 813 Cb -0.16 -2.77 -0.10 0.00 0.00 0.00 0.00 23.12 20.08 3i7l s ALA 813 CO 0.12 -0.57 -0.10 1.28 0.00 0.00 0.00 175.76 176.50 3i7l n LEU 814 N 5.11 2.47 -4.24 0.00 4.77 -0.04 -4.99 117.00 120.08 3i7l n LEU 814 Ca -0.06 -0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 3i7l n LEU 814 Cb 0.50 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3i7l n LEU 814 CO 0.40 0.67 -0.46 -0.94 -1.33 0.00 0.00 177.39 175.72 3i7l s SER 815 N -5.23 2.04 -0.15 -1.43 1.04 -0.97 -4.86 113.70 104.13 3i7l s SER 815 Ca -0.17 -0.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.41 3i7l s SER 815 Cb 0.05 -0.08 0.06 0.00 0.10 0.00 0.00 66.02 66.15 3i7l s SER 815 CO 0.36 -0.11 0.34 -0.22 0.98 0.00 0.00 173.24 174.58 3i7l s LEU 816 N -2.34 -0.03 0.15 2.42 2.96 -1.26 -1.80 118.68 118.78 3i7l s LEU 816 Ca 0.08 0.75 0.04 0.00 -0.22 0.00 0.00 54.13 54.78 3i7l s LEU 816 Cb -0.06 1.06 -0.04 0.00 0.50 0.00 0.00 46.19 47.65 3i7l s LEU 816 CO 0.03 -0.20 -0.10 0.54 -1.32 0.00 0.00 176.35 175.31 3i7l s VAL 817 N 1.65 1.18 -0.15 1.68 0.11 -0.49 -4.87 120.40 119.51 3i7l s VAL 817 Ca -0.07 -2.06 -0.01 0.00 -2.93 0.00 0.00 61.98 56.91 3i7l s VAL 817 Cb -0.10 -1.85 0.04 0.00 -1.53 0.00 0.00 36.38 32.94 3i7l s VAL 817 CO -0.11 -0.74 -0.03 -0.55 -3.33 0.00 0.00 175.10 170.34 3i7l s SER 818 N -3.17 2.61 0.20 3.54 0.15 -1.26 -0.62 113.70 115.15 3i7l s SER 818 Ca 0.17 -0.58 -0.23 0.00 0.70 0.00 0.00 55.95 56.01 3i7l s SER 818 Cb 0.03 -0.77 0.05 0.00 -1.71 0.00 0.00 66.02 63.61 3i7l s SER 818 CO 0.01 -0.21 0.76 0.00 1.20 0.00 0.00 173.24 175.00 3i7l s LYS 820 N -3.67 3.79 -0.06 0.00 1.02 -1.26 -1.61 119.74 117.95 3i7l s LYS 820 Ca 0.08 0.43 0.01 0.00 0.02 0.00 0.00 55.97 56.52 3i7l s LYS 820 Cb -0.03 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 3i7l s LYS 820 CO -0.00 0.03 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.88 3i7l s LEU 821 N -3.66 1.31 0.00 3.17 1.43 -1.26 -4.79 118.68 114.88 3i7l s LEU 821 Ca 0.51 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3i7l s LEU 821 Cb -0.10 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.52 3i7l s LEU 821 CO 0.29 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3i7l n GLY 822 N 4.21 2.21 0.00 -3.19 0.00 -0.54 -2.40 105.19 105.48 3i7l n GLY 822 Ca -0.21 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3i7l n GLY 822 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7l n LYS 823 N 14.00 0.27 -2.71 1.61 4.01 -1.26 -4.77 118.16 129.30 3i7l n LYS 823 Ca 0.00 0.05 -0.41 0.00 -0.51 0.00 0.00 58.31 57.43 3i7l n LYS 823 Cb 0.00 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 32.98 3i7l n LYS 823 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3i7l s ASP 824 N -2.69 7.43 0.00 4.39 2.15 -1.01 -4.96 116.67 121.99 3i7l s ASP 824 Ca 0.21 1.75 0.21 0.00 0.43 0.00 0.00 52.55 55.15 3i7l s ASP 824 Cb 0.17 -2.58 0.54 0.00 -0.30 0.00 0.00 42.92 40.75 3i7l s ASP 824 CO 0.42 -0.16 1.44 -0.81 -0.17 0.00 0.00 175.17 175.89 3i7l n PRO 825 N 3.26 2.22 -2.28 4.34 -0.04 -1.26 -4.16 135.00 137.09 3i7l n PRO 825 Ca 0.04 -1.86 -0.31 0.00 -0.04 0.00 0.00 63.50 61.33 3i7l n PRO 825 Cb 0.50 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 3i7l n PRO 825 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i7l s ASN 826 N -1.36 6.42 -0.29 3.54 -0.87 -1.26 -5.03 114.94 116.09 3i7l s ASN 826 Ca 0.36 1.39 -0.09 0.00 -1.57 0.00 0.00 52.86 52.96 3i7l s ASN 826 Cb 0.20 -2.44 -0.01 0.00 -0.02 0.00 0.00 41.25 38.97 3i7l s ASN 826 CO 0.28 -0.67 0.12 0.42 -2.57 0.00 0.00 177.10 174.68 3i7l s THR 827 N -2.82 4.49 0.16 1.60 -4.23 -1.26 -4.23 115.64 109.34 3i7l s THR 827 Ca 0.55 -0.35 0.04 0.00 -1.18 0.00 0.00 61.69 60.75 3i7l s THR 827 Cb -0.10 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 3i7l s THR 827 CO 0.41 0.15 0.19 -0.31 -0.54 0.00 0.00 174.62 174.52 3i7l s TYR 828 N 1.61 3.27 0.02 3.99 1.51 -0.63 -4.60 117.35 122.51 3i7l s TYR 828 Ca 0.05 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.16 3i7l s TYR 828 Cb -0.16 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 3i7l s TYR 828 CO 0.05 0.52 0.02 -0.06 -1.11 0.00 0.00 175.55 174.98 3i7l s PHE 829 N -1.74 3.11 -0.01 2.71 0.08 -1.01 -1.55 117.98 119.58 3i7l s PHE 829 Ca 0.32 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.47 3i7l s PHE 829 Cb -0.10 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3i7l s PHE 829 CO 0.25 0.49 -0.05 0.42 -0.10 0.00 0.00 175.22 176.23 3i7l s ILE 830 N -1.18 0.40 0.05 0.64 1.01 0.21 -0.42 121.20 121.91 3i7l s ILE 830 Ca 0.22 -0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.75 3i7l s ILE 830 Cb -0.12 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.98 3i7l s ILE 830 CO 0.14 0.12 -0.18 -0.69 0.00 0.00 0.00 174.94 174.33 3i7l s VAL 831 N 0.03 1.46 -0.10 2.92 1.01 -0.59 -1.39 120.40 123.74 3i7l s VAL 831 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.82 3i7l s VAL 831 Cb -0.04 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3i7l s VAL 831 CO -0.00 0.08 -0.16 -0.83 0.00 0.00 0.00 175.10 174.18 3i7l s GLY 832 N -1.30 1.05 0.45 4.51 0.00 -0.75 -0.33 107.32 110.95 3i7l s GLY 832 Ca 0.05 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3i7l s GLY 832 CO 0.02 0.08 0.10 -1.30 0.00 0.00 0.00 173.10 172.00 3i7l n THR 833 N 3.96 0.00 -3.58 0.90 -2.24 0.15 -0.86 114.28 112.61 3i7l n THR 833 Ca -0.20 -2.42 -0.16 0.00 -2.27 0.00 0.00 64.05 59.00 3i7l n THR 833 Cb 0.52 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3i7l n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7l s ALA 834 N -3.05 -1.67 -0.48 6.98 0.00 0.94 -3.09 121.76 121.39 3i7l s ALA 834 Ca 0.14 1.49 -0.22 0.00 0.00 0.00 0.00 51.96 53.38 3i7l s ALA 834 Cb 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.73 3i7l s ALA 834 CO 0.10 -0.34 0.74 -1.64 0.00 0.00 0.00 175.76 174.61 3i7l s MET 835 N -0.59 3.29 -0.22 0.00 -1.94 -0.87 -0.04 119.30 118.94 3i7l s MET 835 Ca -0.07 -0.39 -0.06 0.00 -1.71 0.00 0.00 55.69 53.46 3i7l s MET 835 Cb -0.02 -4.00 -0.03 0.00 2.01 0.00 0.00 34.83 32.79 3i7l s MET 835 CO 0.06 -1.18 0.03 0.08 -0.01 0.00 0.00 175.02 174.01 3i7l s VAL 836 N 3.13 4.16 -0.07 -6.03 1.01 -0.18 -4.49 120.40 117.93 3i7l s VAL 836 Ca 0.24 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.04 3i7l s VAL 836 Cb -0.14 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3i7l s VAL 836 CO 0.19 0.39 -0.24 -0.31 0.00 0.00 0.00 175.10 175.13 3i7l s TYR 837 N 1.20 2.42 0.27 5.22 1.51 -1.26 -4.81 117.35 121.91 3i7l s TYR 837 Ca 0.04 -0.84 -0.04 0.00 -1.01 0.00 0.00 57.07 55.23 3i7l s TYR 837 Cb -0.14 -1.60 0.57 0.00 -0.11 0.00 0.00 41.96 40.67 3i7l s TYR 837 CO 0.02 -0.30 1.60 -1.35 -1.11 0.00 0.00 175.55 174.42 3i7l h PRO 838 N 6.35 0.06 0.42 -1.71 0.11 -2.00 -1.22 132.00 134.00 3i7l h PRO 838 Ca -0.27 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3i7l h PRO 838 Cb 1.20 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3i7l h PRO 838 CO 0.47 0.04 -0.37 1.05 -0.21 0.00 0.00 178.00 178.98 3i7l h GLU 839 N 0.06 -0.77 -6.27 1.05 4.11 -2.04 -3.44 114.58 107.29 3i7l h GLU 839 Ca 0.49 0.05 -0.54 0.00 0.07 0.00 0.00 59.36 59.43 3i7l h GLU 839 Cb 0.93 0.17 0.02 0.00 0.50 0.00 0.00 28.75 30.36 3i7l h GLU 839 CO -0.81 -0.51 1.30 0.39 0.07 0.00 0.00 179.01 179.45 3i7l n GLU 840 N -5.48 2.67 0.08 1.06 1.02 -0.46 -4.90 120.64 114.63 3i7l n GLU 840 Ca -0.11 0.93 0.03 0.00 -0.02 0.00 0.00 57.16 58.00 3i7l n GLU 840 Cb 0.38 -3.07 0.42 0.00 -0.02 0.00 0.00 31.44 29.15 3i7l n GLU 840 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7l h ALA 841 N 11.70 1.61 -3.49 0.62 0.00 -1.85 -3.43 119.26 124.43 3i7l h ALA 841 Ca -0.48 -0.12 -0.38 0.00 0.00 0.00 0.00 54.91 53.93 3i7l h ALA 841 Cb 1.24 -0.11 -0.34 0.00 0.00 0.00 0.00 17.79 18.58 3i7l h ALA 841 CO 0.94 0.29 -0.76 -1.21 0.00 0.00 0.00 179.25 178.51 3i7l s GLU 842 N -5.05 0.65 0.01 0.00 2.02 -1.26 -5.12 118.70 109.94 3i7l s GLU 842 Ca -0.07 -0.05 -0.33 0.00 0.02 0.00 0.00 54.97 54.54 3i7l s GLU 842 Cb 0.16 -0.70 -0.11 0.00 0.10 0.00 0.00 34.13 33.57 3i7l s GLU 842 CO 0.73 -0.09 1.84 -2.30 0.02 0.00 0.00 175.26 175.46 3i7l n PRO 843 N 4.03 2.40 -0.01 0.39 -0.02 -1.26 -4.86 135.00 135.66 3i7l n PRO 843 Ca -0.26 0.88 -0.05 0.00 -2.02 0.00 0.00 63.50 62.04 3i7l n PRO 843 Cb 0.51 -2.74 -0.12 0.00 -0.02 0.00 0.00 33.50 31.13 3i7l n PRO 843 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i7l n LYS 844 N 6.11 0.63 -4.50 -0.52 3.00 -1.26 -4.00 118.16 117.62 3i7l n LYS 844 Ca 0.21 0.25 -0.24 0.00 -0.00 0.00 0.00 58.31 58.52 3i7l n LYS 844 Cb 0.33 -1.78 -0.11 0.00 0.00 0.00 0.00 35.03 33.47 3i7l n LYS 844 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3i7l s GLN 845 N -2.72 1.73 0.00 1.64 -0.21 -1.26 -3.03 119.66 115.82 3i7l s GLN 845 Ca -0.04 -1.94 0.00 0.00 0.02 0.00 0.00 55.36 53.40 3i7l s GLN 845 Cb 0.08 -1.28 0.00 0.00 1.00 0.00 0.00 33.01 32.81 3i7l s GLN 845 CO 0.82 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 174.36 3i7l n GLY 846 N -0.75 0.89 3.18 3.09 0.00 -1.03 -2.05 105.19 108.52 3i7l n GLY 846 Ca -0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 3i7l n GLY 846 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i7l s ARG 847 N -2.00 0.83 -0.19 1.61 1.70 -1.23 0.28 118.95 119.96 3i7l s ARG 847 Ca 0.00 -1.14 -0.04 0.00 -0.47 0.00 0.00 55.73 54.08 3i7l s ARG 847 Cb 0.00 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.65 3i7l s ARG 847 CO 0.00 -0.24 -0.04 0.42 -1.08 0.00 0.00 175.30 174.36 3i7l s ILE 848 N -3.92 3.65 -0.06 4.99 1.01 -0.93 0.29 121.20 126.24 3i7l s ILE 848 Ca 0.10 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3i7l s ILE 848 Cb 0.06 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 3i7l s ILE 848 CO -0.07 0.45 -0.24 -0.69 0.00 0.00 0.00 174.94 174.39 3i7l s VAL 849 N 0.90 2.17 -0.43 2.92 1.01 0.56 -1.81 120.40 125.72 3i7l s VAL 849 Ca -0.00 -1.03 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 3i7l s VAL 849 Cb -0.15 -1.79 0.11 0.00 0.00 0.00 0.00 36.38 34.55 3i7l s VAL 849 CO 0.01 0.57 0.27 -0.69 0.00 0.00 0.00 175.10 175.26 3i7l s VAL 850 N -0.19 3.83 0.39 2.92 1.01 0.10 -1.54 120.40 126.91 3i7l s VAL 850 Ca -0.02 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 3i7l s VAL 850 Cb -0.14 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3i7l s VAL 850 CO 0.03 -0.67 0.62 -0.36 0.00 0.00 0.00 175.10 174.72 3i7l s PHE 851 N 1.29 3.51 -0.04 5.22 0.40 0.44 0.15 117.98 128.95 3i7l s PHE 851 Ca 0.06 0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 3i7l s PHE 851 Cb -0.24 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.29 3i7l s PHE 851 CO -0.02 -0.01 -0.02 -1.14 0.70 0.00 0.00 175.22 174.73 3i7l s GLN 852 N -4.44 0.59 -0.67 0.44 0.74 0.10 -2.39 119.66 114.03 3i7l s GLN 852 Ca 0.42 -0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.86 3i7l s GLN 852 Cb -0.10 -0.67 0.27 0.00 1.10 0.00 0.00 33.01 33.61 3i7l s GLN 852 CO 0.39 -0.10 0.86 0.98 -0.55 0.00 0.00 175.29 176.86 3i7l n TYR 853 N 4.07 3.61 -0.16 1.67 9.36 -1.26 0.24 117.16 134.69 3i7l n TYR 853 Ca -0.26 -3.98 0.00 0.00 3.32 0.00 0.00 57.90 56.98 3i7l n TYR 853 Cb 0.51 -0.61 0.25 0.00 -0.63 0.00 0.00 39.34 38.86 3i7l n TYR 853 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3i7l h SER 854 N 4.06 0.78 0.00 2.98 4.64 -1.91 -3.46 113.55 120.64 3i7l h SER 854 Ca 0.19 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3i7l h SER 854 Cb 0.62 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3i7l h SER 854 CO 0.88 0.63 0.00 -0.67 -0.87 0.00 0.00 176.83 176.80 3i7l n ASP 855 N -4.38 0.00 0.00 4.97 2.03 -1.26 -5.04 116.55 112.86 3i7l n ASP 855 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3i7l n ASP 855 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 3i7l n ASP 855 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i7l n GLY 856 N -0.21 1.11 3.36 0.27 0.00 -1.26 -4.80 105.19 103.66 3i7l n GLY 856 Ca 0.00 -0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 3i7l n GLY 856 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i7l s LYS 857 N 0.00 1.40 -0.33 1.61 -2.85 -1.26 -4.91 119.74 113.40 3i7l s LYS 857 Ca 0.00 -1.70 -0.19 0.00 -1.00 0.00 0.00 55.97 53.08 3i7l s LYS 857 Cb 0.00 -0.78 -0.01 0.00 -2.06 0.00 0.00 37.83 34.98 3i7l s LYS 857 CO 0.00 -0.05 0.55 -0.51 0.10 0.00 0.00 175.35 175.44 3i7l s LEU 858 N -3.35 4.23 -0.14 2.77 1.43 -1.26 -4.25 118.68 118.12 3i7l s LEU 858 Ca 0.28 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 3i7l s LEU 858 Cb 0.05 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 3i7l s LEU 858 CO 0.09 -0.46 0.05 -1.58 0.23 0.00 0.00 176.35 174.69 3i7l s GLN 859 N 2.46 3.57 -0.19 1.70 0.74 0.14 -4.89 119.66 123.19 3i7l s GLN 859 Ca 0.21 -0.34 -0.29 0.00 0.05 0.00 0.00 55.36 54.99 3i7l s GLN 859 Cb -0.15 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 30.88 3i7l s GLN 859 CO 0.12 0.49 1.29 0.99 -0.55 0.00 0.00 175.29 177.64 3i7l s THR 860 N -0.26 4.22 -0.06 -0.34 2.01 -1.26 0.00 115.64 119.96 3i7l s THR 860 Ca 0.08 1.45 0.14 0.00 0.31 0.00 0.00 61.69 63.67 3i7l s THR 860 Cb -0.12 -4.01 -0.21 0.00 0.01 0.00 0.00 72.50 68.18 3i7l s THR 860 CO 0.02 -0.21 0.23 0.52 -0.69 0.00 0.00 174.62 174.49 3i7l n VAL 861 N 5.57 0.31 -3.64 3.82 0.31 0.12 -4.97 118.33 119.86 3i7l n VAL 861 Ca 0.14 -0.41 -0.09 0.00 -0.01 0.00 0.00 64.34 63.97 3i7l n VAL 861 Cb 0.45 -0.10 -0.07 0.00 -0.91 0.00 0.00 33.84 33.21 3i7l n VAL 861 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i7l s ALA 862 N -2.78 -1.99 -0.00 3.52 0.00 -1.19 -4.96 121.76 114.36 3i7l s ALA 862 Ca -0.06 1.94 0.02 0.00 0.00 0.00 0.00 51.96 53.86 3i7l s ALA 862 Cb 0.08 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 3i7l s ALA 862 CO 0.59 -0.26 -0.07 -2.00 0.00 0.00 0.00 175.76 174.02 3i7l s GLU 863 N 0.40 0.52 -0.14 0.00 2.12 -1.26 0.00 118.70 120.33 3i7l s GLU 863 Ca 0.01 -0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.03 3i7l s GLU 863 Cb -0.05 -0.48 0.06 0.00 0.26 0.00 0.00 34.13 33.92 3i7l s GLU 863 CO -0.07 0.13 0.13 0.21 -0.54 0.00 0.00 175.26 175.12 3i7l s LYS 864 N -0.28 0.07 0.33 4.30 2.47 -0.75 -4.98 119.74 120.89 3i7l s LYS 864 Ca 0.01 0.17 -0.29 0.00 -1.56 0.00 0.00 55.97 54.31 3i7l s LYS 864 Cb -0.03 -1.21 -0.10 0.00 -1.46 0.00 0.00 37.83 35.03 3i7l s LYS 864 CO -0.00 -0.55 1.25 -2.00 0.16 0.00 0.00 175.35 174.21 3i7l s GLU 865 N 2.22 4.39 0.32 4.03 2.12 -1.26 -2.18 118.70 128.34 3i7l s GLU 865 Ca 0.04 2.10 0.04 0.00 0.36 0.00 0.00 54.97 57.50 3i7l s GLU 865 Cb -0.15 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 3i7l s GLU 865 CO -0.08 -0.11 0.16 0.14 -0.54 0.00 0.00 175.26 174.83 3i7l s VAL 866 N -1.16 0.37 -0.54 3.70 -7.23 0.14 -4.93 120.40 110.74 3i7l s VAL 866 Ca 0.49 -2.00 0.16 0.00 -1.81 0.00 0.00 61.98 58.81 3i7l s VAL 866 Cb -0.37 -2.50 0.58 0.00 0.56 0.00 0.00 36.38 34.64 3i7l s VAL 866 CO 0.49 0.00 1.49 0.29 -0.31 0.00 0.00 175.10 177.06 3i7l n LYS 867 N -0.63 3.41 -3.10 4.82 4.76 -1.26 -2.48 118.16 123.68 3i7l n LYS 867 Ca 0.00 -2.76 0.02 0.00 -2.87 0.00 0.00 58.31 52.71 3i7l n LYS 867 Cb 0.65 -1.81 0.01 0.00 -1.84 0.00 0.00 35.03 32.03 3i7l n LYS 867 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i7l n GLY 868 N 0.22 0.38 3.60 0.72 0.00 -1.17 -4.39 105.19 104.55 3i7l n GLY 868 Ca 0.21 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 3i7l n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i7l s ALA 869 N -1.58 3.07 -1.02 4.61 0.00 -1.26 -3.94 121.76 121.64 3i7l s ALA 869 Ca 0.18 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 3i7l s ALA 869 Cb -0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 3i7l s ALA 869 CO -0.01 -2.38 1.89 0.08 0.00 0.00 0.00 175.76 175.34 3i7l s VAL 870 N 5.14 3.55 0.02 0.00 1.01 -1.18 -2.24 120.40 126.71 3i7l s VAL 870 Ca 0.56 -0.65 0.32 0.00 0.00 0.00 0.00 61.98 62.21 3i7l s VAL 870 Cb -0.11 -4.33 0.38 0.00 0.00 0.00 0.00 36.38 32.31 3i7l s VAL 870 CO 0.32 -1.10 1.92 1.88 0.00 0.00 0.00 175.10 178.12 3i7l h TYR 871 N 10.49 0.00 -1.33 5.22 -1.99 -1.83 -3.37 116.97 124.17 3i7l h TYR 871 Ca 0.16 0.00 0.25 0.00 2.00 0.00 0.00 58.73 61.14 3i7l h TYR 871 Cb 0.98 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.50 3i7l h TYR 871 CO 1.23 0.01 0.85 -1.54 -0.00 0.00 0.00 178.16 178.71 3i7l s SER 872 N -5.79 -0.11 -0.23 3.88 1.04 -1.26 -4.59 113.70 106.64 3i7l s SER 872 Ca 0.02 0.03 -0.20 0.00 0.48 0.00 0.00 55.95 56.28 3i7l s SER 872 Cb 0.08 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.37 3i7l s SER 872 CO 0.57 -0.16 0.60 0.00 0.98 0.00 0.00 173.24 175.22 3i7l s MET 873 N -2.00 0.70 0.13 4.02 0.23 -1.26 -1.07 119.30 120.05 3i7l s MET 873 Ca 0.09 0.85 0.09 0.00 -1.03 0.00 0.00 55.69 55.69 3i7l s MET 873 Cb -0.01 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 3i7l s MET 873 CO -0.04 -0.09 -0.22 0.54 -2.03 0.00 0.00 175.02 173.18 3i7l s VAL 874 N 0.39 1.92 0.39 5.16 0.11 -0.68 -4.74 120.40 122.95 3i7l s VAL 874 Ca -0.01 -1.73 -0.25 0.00 -2.93 0.00 0.00 61.98 57.06 3i7l s VAL 874 Cb -0.04 -1.78 -0.09 0.00 -1.53 0.00 0.00 36.38 32.94 3i7l s VAL 874 CO -0.00 -0.10 1.18 -0.70 -3.33 0.00 0.00 175.10 172.14 3i7l s GLU 875 N -2.25 4.08 0.00 1.54 -6.30 -1.26 -2.32 118.70 112.19 3i7l s GLU 875 Ca 0.12 1.86 0.00 0.00 -2.50 0.00 0.00 54.97 54.45 3i7l s GLU 875 Cb -0.09 -2.71 0.00 0.00 0.00 0.00 0.00 34.13 31.34 3i7l s GLU 875 CO 0.06 -0.31 0.00 0.34 0.02 0.00 0.00 175.26 175.37 3i7l n PHE 876 N 0.13 0.00 -2.68 5.30 7.35 -1.03 -4.84 117.46 121.68 3i7l n PHE 876 Ca 0.04 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.48 3i7l n PHE 876 Cb 0.46 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.28 3i7l n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i7l n ASN 877 N 0.00 4.21 -0.60 -2.13 3.02 -1.26 -4.74 115.26 113.76 3i7l n ASN 877 Ca 0.00 -3.60 -0.07 0.00 -0.03 0.00 0.00 54.58 50.88 3i7l n ASN 877 Cb 0.00 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 3i7l n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i7l n GLY 878 N -0.34 0.77 3.76 7.41 0.00 -1.26 -4.90 105.19 110.63 3i7l n GLY 878 Ca 0.33 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3i7l n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i7l s LYS 879 N -2.94 2.17 -0.38 1.61 1.02 -1.26 -1.47 119.74 118.49 3i7l s LYS 879 Ca 0.00 -2.33 -0.02 0.00 0.02 0.00 0.00 55.97 53.63 3i7l s LYS 879 Cb 0.00 -1.59 0.10 0.00 -0.52 0.00 0.00 37.83 35.82 3i7l s LYS 879 CO 0.00 -0.34 0.15 -1.17 -0.92 0.00 0.00 175.35 173.07 3i7l s LEU 880 N -3.89 4.96 0.16 3.17 2.96 0.17 -2.48 118.68 123.73 3i7l s LEU 880 Ca 0.11 -1.89 -0.30 0.00 -0.22 0.00 0.00 54.13 51.83 3i7l s LEU 880 Cb 0.02 -1.79 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 3i7l s LEU 880 CO 0.06 -0.48 0.96 -0.22 -1.32 0.00 0.00 176.35 175.35 3i7l s LEU 881 N 1.15 4.56 -0.05 -0.68 2.96 -0.98 -0.27 118.68 125.36 3i7l s LEU 881 Ca 0.06 1.87 -0.31 0.00 -0.22 0.00 0.00 54.13 55.53 3i7l s LEU 881 Cb -0.22 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 42.95 3i7l s LEU 881 CO -0.04 0.02 0.69 0.00 -1.32 0.00 0.00 176.35 175.71 3i7l s ALA 882 N -0.48 -1.78 0.11 5.97 0.00 -0.20 -1.68 121.76 123.69 3i7l s ALA 882 Ca 0.45 1.33 0.06 0.00 0.00 0.00 0.00 51.96 53.80 3i7l s ALA 882 Cb -0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3i7l s ALA 882 CO 0.31 -0.37 -0.05 -1.54 0.00 0.00 0.00 175.76 174.11 3i7l s SER 883 N -1.19 4.66 -0.13 0.00 1.04 -0.23 -0.38 113.70 117.46 3i7l s SER 883 Ca -0.11 -0.32 -0.04 0.00 0.48 0.00 0.00 55.95 55.97 3i7l s SER 883 Cb -0.00 -0.98 0.05 0.00 0.10 0.00 0.00 66.02 65.19 3i7l s SER 883 CO 0.10 0.17 0.08 -0.63 0.98 0.00 0.00 173.24 173.93 3i7l s ILE 884 N -1.31 -0.06 -0.16 -1.02 1.09 0.75 -3.11 121.20 117.37 3i7l s ILE 884 Ca 0.24 -0.00 -0.14 0.00 -1.10 0.00 0.00 60.65 59.64 3i7l s ILE 884 Cb -0.11 -0.47 0.02 0.00 -1.06 0.00 0.00 42.46 40.84 3i7l s ILE 884 CO 0.16 -0.13 0.24 0.59 -0.10 0.00 0.00 174.94 175.70 3i7l n ASN 885 N 5.27 -2.20 -3.56 3.58 3.02 -0.95 -1.53 115.26 118.89 3i7l n ASN 885 Ca -0.06 -0.05 -0.17 0.00 -0.03 0.00 0.00 54.58 54.27 3i7l n ASN 885 Cb 0.49 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3i7l n ASN 885 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3i7l n SER 886 N 0.61 -5.78 -3.64 6.41 3.41 -1.26 -4.88 113.62 108.48 3i7l n SER 886 Ca -0.03 -0.69 -0.06 0.00 -0.26 0.00 0.00 58.87 57.82 3i7l n SER 886 Cb 0.27 -2.87 -0.07 0.00 -0.26 0.00 0.00 64.21 61.28 3i7l n SER 886 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i7l s THR 887 N -3.02 0.00 -0.37 6.66 2.01 -0.58 -4.85 115.64 115.49 3i7l s THR 887 Ca 0.02 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.06 3i7l s THR 887 Cb -0.01 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.61 3i7l s THR 887 CO 0.85 0.00 0.08 -0.69 -0.69 0.00 0.00 174.62 174.17 3i7l s VAL 888 N 0.25 2.28 0.40 3.82 1.01 0.25 -0.18 120.40 128.23 3i7l s VAL 888 Ca 0.04 -2.47 -0.01 0.00 0.00 0.00 0.00 61.98 59.53 3i7l s VAL 888 Cb -0.05 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3i7l s VAL 888 CO -0.10 -0.63 0.64 -0.13 0.00 0.00 0.00 175.10 174.87 3i7l s ARG 889 N 0.74 3.46 -0.42 2.72 0.52 0.49 -1.80 118.95 124.66 3i7l s ARG 889 Ca 0.12 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 3i7l s ARG 889 Cb -0.20 -2.56 0.15 0.00 0.52 0.00 0.00 34.95 32.86 3i7l s ARG 889 CO -0.07 -0.00 0.26 -1.17 0.02 0.00 0.00 175.30 174.34 3i7l s LEU 890 N -4.48 1.93 0.46 2.53 2.96 -1.11 -1.03 118.68 119.94 3i7l s LEU 890 Ca 0.43 -2.61 -0.22 0.00 -0.22 0.00 0.00 54.13 51.51 3i7l s LEU 890 Cb -0.10 -0.72 -0.08 0.00 0.50 0.00 0.00 46.19 45.80 3i7l s LEU 890 CO 0.39 -0.25 1.09 -0.31 -1.32 0.00 0.00 176.35 175.95 3i7l s TYR 891 N 0.46 2.99 0.23 5.38 1.51 0.63 -2.58 117.35 125.97 3i7l s TYR 891 Ca 0.21 1.58 0.07 0.00 -1.01 0.00 0.00 57.07 57.92 3i7l s TYR 891 Cb -0.17 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.43 3i7l s TYR 891 CO -0.04 -1.08 0.11 -2.00 -1.11 0.00 0.00 175.55 171.43 3i7l s GLU 892 N -2.89 2.69 -0.36 -0.62 2.12 0.30 -0.66 118.70 119.28 3i7l s GLU 892 Ca 0.65 -1.11 0.02 0.00 0.36 0.00 0.00 54.97 54.89 3i7l s GLU 892 Cb -0.22 -2.46 0.10 0.00 0.26 0.00 0.00 34.13 31.81 3i7l s GLU 892 CO 0.27 0.42 0.10 -0.46 -0.54 0.00 0.00 175.26 175.05 3i7l s TRP 893 N -2.03 3.71 0.67 5.30 -0.00 -1.26 -1.75 118.94 123.58 3i7l s TRP 893 Ca 0.31 -2.81 -0.17 0.00 -0.00 0.00 0.00 56.10 53.43 3i7l s TRP 893 Cb -0.08 -3.03 -0.02 0.00 -0.00 0.00 0.00 33.47 30.34 3i7l s TRP 893 CO 0.22 -0.96 0.89 0.25 -0.00 0.00 0.00 176.95 177.36 3i7l n THR 894 N 4.36 3.09 0.80 5.86 -2.24 -0.71 -4.75 114.28 120.69 3i7l n THR 894 Ca 0.02 -0.44 0.07 0.00 -2.27 0.00 0.00 64.05 61.43 3i7l n THR 894 Cb 0.42 -1.06 0.39 0.00 -2.10 0.00 0.00 70.33 67.98 3i7l n THR 894 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3i7l n THR 895 N -2.16 0.17 -0.95 4.28 -1.04 -1.26 -2.34 114.28 110.97 3i7l n THR 895 Ca 0.13 0.04 0.08 0.00 -2.04 0.00 0.00 64.05 62.26 3i7l n THR 895 Cb 0.49 -0.83 0.31 0.00 -1.82 0.00 0.00 70.33 68.48 3i7l n THR 895 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3i7l n GLU 896 N -1.07 3.59 -3.52 -2.82 4.71 -1.26 -5.01 120.64 115.27 3i7l n GLU 896 Ca 0.09 -2.94 -0.24 0.00 -0.01 0.00 0.00 57.16 54.06 3i7l n GLU 896 Cb 0.06 -1.98 0.04 0.00 -1.01 0.00 0.00 31.44 28.55 3i7l n GLU 896 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i7l n LYS 897 N -0.09 -1.47 -3.69 3.49 4.76 -0.99 -5.06 118.16 115.11 3i7l n LYS 897 Ca 0.23 0.70 -0.14 0.00 -2.87 0.00 0.00 58.31 56.23 3i7l n LYS 897 Cb 0.99 -4.56 -0.07 0.00 -1.84 0.00 0.00 35.03 29.54 3i7l n LYS 897 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3i7l s ASP 898 N -3.35 -0.28 -0.37 4.39 -1.08 -1.26 -4.79 116.67 109.93 3i7l s ASP 898 Ca 0.38 0.12 -0.18 0.00 -0.52 0.00 0.00 52.55 52.35 3i7l s ASP 898 Cb -0.11 0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.74 3i7l s ASP 898 CO 0.82 -0.56 0.50 0.68 0.52 0.00 0.00 175.17 177.13 3i7l s VAL 899 N -1.83 5.02 -0.00 1.11 -7.23 -1.26 -1.73 120.40 114.47 3i7l s VAL 899 Ca -0.09 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 3i7l s VAL 899 Cb -0.02 -3.99 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 3i7l s VAL 899 CO 0.02 -0.28 0.04 0.00 -0.31 0.00 0.00 175.10 174.58 3i7l s ARG 900 N 2.37 2.93 0.34 4.82 1.70 -0.72 -4.91 118.95 125.49 3i7l s ARG 900 Ca 0.18 -0.55 -0.29 0.00 -0.47 0.00 0.00 55.73 54.60 3i7l s ARG 900 Cb -0.16 -2.77 -0.10 0.00 -0.57 0.00 0.00 34.95 31.35 3i7l s ARG 900 CO 0.14 0.64 1.36 0.99 -1.08 0.00 0.00 175.30 177.34 3i7l s THR 901 N -1.14 2.54 0.00 4.99 2.01 -1.26 -0.54 115.64 122.24 3i7l s THR 901 Ca 0.21 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.76 3i7l s THR 901 Cb -0.12 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.05 3i7l s THR 901 CO 0.12 0.13 0.00 -0.62 -0.69 0.00 0.00 174.62 173.56 3i7l n GLU 902 N 0.78 0.00 -4.16 4.92 -0.58 -1.06 -4.78 120.64 115.75 3i7l n GLU 902 Ca 0.01 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.65 3i7l n GLU 902 Cb 0.41 -0.20 -0.10 0.00 -0.57 0.00 0.00 31.44 30.98 3i7l n GLU 902 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i7l s ASN 904 N -3.05 0.03 0.39 0.00 2.20 -1.26 -2.76 114.94 110.48 3i7l s ASN 904 Ca 0.22 0.34 -0.25 0.00 -0.94 0.00 0.00 52.86 52.23 3i7l s ASN 904 Cb 0.07 0.25 -0.09 0.00 -2.00 0.00 0.00 41.25 39.48 3i7l s ASN 904 CO 0.01 -0.17 1.09 -2.28 -2.94 0.00 0.00 177.10 172.81 3i7l s HIS 905 N 1.41 3.24 0.00 1.54 5.65 -0.75 -4.86 115.29 121.52 3i7l s HIS 905 Ca -0.07 1.62 0.00 0.00 0.25 0.00 0.00 55.06 56.87 3i7l s HIS 905 Cb -0.12 -3.23 0.00 0.00 -1.18 0.00 0.00 32.58 28.06 3i7l s HIS 905 CO -0.06 -0.83 0.41 0.98 -0.65 0.00 0.00 174.74 174.58 3i7l n TYR 906 N 0.11 0.00 -2.09 3.88 9.36 -1.26 -0.58 117.16 126.57 3i7l n TYR 906 Ca 0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.84 3i7l n TYR 906 Cb 0.48 0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 3i7l n TYR 906 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3i7l n ASN 907 N 0.00 4.36 -3.58 2.98 5.15 -1.26 -4.80 115.26 118.11 3i7l n ASN 907 Ca 0.00 -2.89 -0.11 0.00 -0.60 0.00 0.00 54.58 50.98 3i7l n ASN 907 Cb 0.47 -1.67 -0.05 0.00 -0.53 0.00 0.00 39.78 38.00 3i7l n ASN 907 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3i7l s ASN 908 N 3.31 -0.37 -0.34 1.20 6.03 -1.26 -5.11 114.94 118.41 3i7l s ASN 908 Ca 0.48 0.40 -0.16 0.00 -1.03 0.00 0.00 52.86 52.55 3i7l s ASN 908 Cb 0.10 0.30 -0.01 0.00 -3.03 0.00 0.00 41.25 38.61 3i7l s ASN 908 CO -0.03 -0.35 0.42 -0.63 -2.03 0.00 0.00 177.10 174.48 3i7l s ILE 909 N -1.15 5.12 -0.06 0.54 1.01 -1.26 -4.71 121.20 120.68 3i7l s ILE 909 Ca -0.02 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 3i7l s ILE 909 Cb -0.00 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.62 3i7l s ILE 909 CO 0.01 -0.11 0.07 0.80 0.00 0.00 0.00 174.94 175.72 3i7l n MET 910 N 5.50 -2.24 -2.83 2.79 1.56 -1.26 -3.04 117.12 117.60 3i7l n MET 910 Ca -0.07 1.88 -0.43 0.00 -0.27 0.00 0.00 57.70 58.81 3i7l n MET 910 Cb 0.49 -2.07 -0.03 0.00 2.15 0.00 0.00 33.22 33.76 3i7l n MET 910 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i7l s ALA 911 N -0.23 3.15 -0.16 -5.12 0.00 -1.26 -0.44 121.76 117.70 3i7l s ALA 911 Ca -0.08 -2.30 0.17 0.00 0.00 0.00 0.00 51.96 49.74 3i7l s ALA 911 Cb 0.01 -4.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 3i7l s ALA 911 CO 0.23 -3.02 1.10 -0.07 0.00 0.00 0.00 175.76 174.01 3i7l h LEU 912 N 11.23 0.00 -7.64 0.00 3.38 -1.90 -3.44 115.31 116.95 3i7l h LEU 912 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 3i7l h LEU 912 Cb 1.04 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.49 3i7l h LEU 912 CO 1.19 0.46 -0.70 -0.31 0.09 0.00 0.00 178.44 179.18 3i7l s TYR 913 N -3.00 -0.02 -0.00 1.13 1.51 -1.26 -4.45 117.35 111.27 3i7l s TYR 913 Ca 0.00 0.11 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3i7l s TYR 913 Cb 0.08 -0.07 -0.01 0.00 -0.11 0.00 0.00 41.96 41.86 3i7l s TYR 913 CO 0.78 -0.04 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.61 3i7l s LEU 914 N 0.39 2.03 0.12 -1.29 1.02 -1.26 -3.29 118.68 116.40 3i7l s LEU 914 Ca -0.03 -0.13 -0.08 0.00 0.02 0.00 0.00 54.13 53.91 3i7l s LEU 914 Cb -0.05 -0.26 -0.01 0.00 0.02 0.00 0.00 46.19 45.90 3i7l s LEU 914 CO -0.01 0.04 0.22 -0.54 0.02 0.00 0.00 176.35 176.08 3i7l s LYS 915 N -0.23 0.99 -0.06 1.70 -0.14 -1.26 -4.89 119.74 115.85 3i7l s LYS 915 Ca 0.01 -1.09 0.01 0.00 -1.36 0.00 0.00 55.97 53.53 3i7l s LYS 915 Cb -0.03 0.35 0.02 0.00 -1.68 0.00 0.00 37.83 36.50 3i7l s LYS 915 CO -0.00 -0.33 -0.05 0.99 -0.76 0.00 0.00 175.35 175.20 3i7l s THR 916 N -3.92 0.62 -1.21 2.17 2.01 -1.26 -2.78 115.64 111.27 3i7l s THR 916 Ca 0.12 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 3i7l s THR 916 Cb 0.04 -0.66 0.04 0.00 0.01 0.00 0.00 72.50 71.93 3i7l s THR 916 CO -0.05 0.26 1.71 -0.75 -0.69 0.00 0.00 174.62 175.10 3i7l s LYS 917 N 1.18 3.65 0.00 4.92 2.36 -0.21 -4.79 119.74 126.86 3i7l s LYS 917 Ca -0.07 -1.63 0.00 0.00 -2.55 0.00 0.00 55.97 51.72 3i7l s LYS 917 Cb -0.14 -5.44 0.00 0.00 -1.05 0.00 0.00 37.83 31.20 3i7l s LYS 917 CO -0.01 -2.51 0.00 0.41 1.55 0.00 0.00 175.35 174.78 3i7l n GLY 918 N 5.83 0.00 0.00 5.54 0.00 -1.26 -2.73 105.19 112.58 3i7l n GLY 918 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3i7l n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7l n ASP 919 N 0.00 0.00 0.00 1.61 2.03 -1.26 -4.79 116.55 114.14 3i7l n ASP 919 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i7l n ASP 919 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i7l n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i7l n PHE 920 N 0.00 0.00 -3.11 -0.67 3.01 -1.10 -4.84 117.46 110.75 3i7l n PHE 920 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.19 3i7l n PHE 920 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 3i7l n PHE 920 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3i7l s ILE 921 N -0.14 4.99 0.10 4.37 1.01 -1.25 -0.08 121.20 130.20 3i7l s ILE 921 Ca 0.00 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.43 3i7l s ILE 921 Cb 0.00 -3.80 0.08 0.00 0.01 0.00 0.00 42.46 38.75 3i7l s ILE 921 CO 0.00 -0.54 0.67 -1.48 0.00 0.00 0.00 174.94 173.59 3i7l s LEU 922 N -4.09 -0.53 0.50 2.97 0.05 0.19 -1.04 118.68 116.73 3i7l s LEU 922 Ca 0.45 0.07 0.07 0.00 0.05 0.00 0.00 54.13 54.76 3i7l s LEU 922 Cb -0.10 2.46 0.02 0.00 -2.05 0.00 0.00 46.19 46.52 3i7l s LEU 922 CO 0.36 -0.86 0.43 -0.69 -0.55 0.00 0.00 176.35 175.04 3i7l s VAL 923 N -3.36 2.05 0.00 1.48 1.01 -1.12 -1.54 120.40 118.93 3i7l s VAL 923 Ca 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.59 3i7l s VAL 923 Cb -0.01 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3i7l s VAL 923 CO -0.10 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3i7l n GLY 924 N -1.73 4.55 0.00 4.51 0.00 -1.19 -4.07 105.19 107.26 3i7l n GLY 924 Ca 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3i7l n GLY 924 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i7l n ASP 925 N 0.00 0.00 -4.98 1.61 2.03 -1.26 -3.38 116.55 110.57 3i7l n ASP 925 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 3i7l n ASP 925 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3i7l n ASP 925 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3i7l s LEU 926 N 0.00 3.87 0.00 -2.67 2.96 0.41 -4.15 118.68 119.11 3i7l s LEU 926 Ca 0.00 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3i7l s LEU 926 Cb 0.00 -2.66 0.00 0.00 0.50 0.00 0.00 46.19 44.03 3i7l s LEU 926 CO 0.00 -0.48 0.00 0.80 -1.32 0.00 0.00 176.35 175.35 3i7l n MET 927 N -1.64 0.00 0.00 1.98 1.56 -1.26 -4.16 117.12 113.60 3i7l n MET 927 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 3i7l n MET 927 Cb 0.58 -0.95 0.00 0.00 2.15 0.00 0.00 33.22 35.00 3i7l n MET 927 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 3i7l n ARG 928 N -0.08 0.00 0.00 2.12 0.63 -1.26 -4.08 116.66 113.99 3i7l n ARG 928 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i7l n ARG 928 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i7l n ARG 928 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3i7l n SER 929 N 0.00 0.00 -4.31 6.15 2.88 -1.25 -2.03 113.62 115.05 3i7l n SER 929 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3i7l n SER 929 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3i7l n SER 929 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3i7l s VAL 930 N 0.84 0.58 -0.15 2.46 1.01 -1.26 -4.37 120.40 119.51 3i7l s VAL 930 Ca 0.00 -2.00 -0.25 0.00 0.00 0.00 0.00 61.98 59.73 3i7l s VAL 930 Cb 0.00 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.84 3i7l s VAL 930 CO 0.00 -0.03 0.63 -1.48 0.00 0.00 0.00 175.10 174.22 3i7l s LEU 931 N -3.31 -0.44 0.01 3.92 0.05 -1.22 -2.60 118.68 115.10 3i7l s LEU 931 Ca 0.37 0.98 0.02 0.00 0.05 0.00 0.00 54.13 55.55 3i7l s LEU 931 Cb 0.08 2.27 -0.04 0.00 -2.05 0.00 0.00 46.19 46.45 3i7l s LEU 931 CO 0.13 -0.39 0.02 -0.22 -0.55 0.00 0.00 176.35 175.34 3i7l s LEU 932 N -0.38 3.59 -0.28 1.48 2.96 -0.93 -3.17 118.68 121.95 3i7l s LEU 932 Ca -0.05 0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 53.69 3i7l s LEU 932 Cb -0.03 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.64 3i7l s LEU 932 CO 0.05 0.26 0.71 -0.22 -1.32 0.00 0.00 176.35 175.83 3i7l s LEU 933 N -1.71 -0.90 0.15 -0.68 2.96 -0.59 -2.39 118.68 115.52 3i7l s LEU 933 Ca 0.21 1.47 0.07 0.00 -0.22 0.00 0.00 54.13 55.67 3i7l s LEU 933 Cb -0.12 2.36 -0.04 0.00 0.50 0.00 0.00 46.19 48.89 3i7l s LEU 933 CO 0.12 -0.23 -0.04 0.00 -1.32 0.00 0.00 176.35 174.88 3i7l s ALA 934 N 1.49 3.11 -0.29 5.97 0.00 -0.75 0.55 121.76 131.83 3i7l s ALA 934 Ca -0.09 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.45 3i7l s ALA 934 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 3i7l s ALA 934 CO -0.18 0.54 0.15 -0.47 0.00 0.00 0.00 175.76 175.81 3i7l s TYR 935 N -1.56 3.17 -0.49 0.00 5.04 0.89 -1.62 117.35 122.79 3i7l s TYR 935 Ca 0.25 -0.37 -0.24 0.00 -2.44 0.00 0.00 57.07 54.27 3i7l s TYR 935 Cb -0.10 -2.35 0.03 0.00 0.35 0.00 0.00 41.96 39.90 3i7l s TYR 935 CO 0.17 -0.37 0.90 0.15 -1.34 0.00 0.00 175.55 175.06 3i7l s LYS 936 N 1.65 3.44 0.09 4.97 1.02 0.33 -4.86 119.74 126.38 3i7l s LYS 936 Ca 0.06 -0.03 -0.34 0.00 0.02 0.00 0.00 55.97 55.67 3i7l s LYS 936 Cb -0.16 -3.97 -0.16 0.00 -0.52 0.00 0.00 37.83 33.02 3i7l s LYS 936 CO 0.07 -1.28 1.53 -1.35 -0.92 0.00 0.00 175.35 173.41 3i7l h PRO 937 N 9.13 -0.84 -0.44 -1.68 0.11 -1.97 -0.29 132.00 136.02 3i7l h PRO 937 Ca -0.25 0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.97 3i7l h PRO 937 Cb 1.08 0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 3i7l h PRO 937 CO 1.03 -0.56 0.17 0.52 -0.21 0.00 0.00 178.00 178.95 3i7l h MET 938 N -0.87 0.35 0.00 1.05 2.86 -1.96 0.15 114.93 116.50 3i7l h MET 938 Ca -0.04 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3i7l h MET 938 Cb 0.80 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 3i7l h MET 938 CO -0.15 0.23 -0.01 0.93 1.06 0.00 0.00 176.91 178.97 3i7l h GLU 939 N 0.36 0.00 -5.75 1.72 4.39 -1.95 -3.46 114.58 109.88 3i7l h GLU 939 Ca 0.20 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.54 3i7l h GLU 939 Cb 0.17 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 28.97 3i7l h GLU 939 CO -0.19 0.01 -0.74 0.41 -1.16 0.00 0.00 179.01 177.34 3i7l n GLY 940 N -0.26 -0.42 3.29 -3.84 0.00 0.53 -4.98 105.19 99.50 3i7l n GLY 940 Ca -0.00 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3i7l n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7l s ASN 941 N -3.98 0.04 -0.12 1.61 3.04 -0.76 -4.71 114.94 110.06 3i7l s ASN 941 Ca 0.22 -0.71 -0.16 0.00 0.04 0.00 0.00 52.86 52.25 3i7l s ASN 941 Cb -0.10 0.40 -0.05 0.00 -1.54 0.00 0.00 41.25 39.97 3i7l s ASN 941 CO 0.74 -0.83 0.39 0.72 -3.04 0.00 0.00 177.10 175.08 3i7l s PHE 942 N -3.90 3.52 -0.14 0.43 -0.12 -1.26 0.12 117.98 116.63 3i7l s PHE 942 Ca 0.10 0.78 0.00 0.00 -0.05 0.00 0.00 56.93 57.76 3i7l s PHE 942 Cb 0.04 -2.42 0.03 0.00 -0.63 0.00 0.00 43.02 40.03 3i7l s PHE 942 CO -0.06 0.27 -0.11 -2.00 -0.05 0.00 0.00 175.22 173.27 3i7l s GLU 943 N 0.30 2.01 -0.42 1.99 2.12 -0.64 -4.95 118.70 119.12 3i7l s GLU 943 Ca 0.22 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.78 3i7l s GLU 943 Cb -0.14 -1.96 0.00 0.00 0.26 0.00 0.00 34.13 32.29 3i7l s GLU 943 CO 0.08 -0.27 1.49 -2.00 -0.54 0.00 0.00 175.26 174.02 3i7l s GLU 944 N 1.56 3.48 -0.12 4.30 2.12 -1.26 -1.82 118.70 126.96 3i7l s GLU 944 Ca 0.04 0.96 -0.10 0.00 0.36 0.00 0.00 54.97 56.24 3i7l s GLU 944 Cb -0.13 -4.08 -0.08 0.00 0.26 0.00 0.00 34.13 30.10 3i7l s GLU 944 CO -0.10 -1.69 0.24 0.82 -0.54 0.00 0.00 175.26 173.99 3i7l h ILE 945 N 6.53 0.57 -4.51 -3.70 2.04 -1.83 -3.49 117.51 113.13 3i7l h ILE 945 Ca -0.28 -1.44 -0.38 0.00 1.00 0.00 0.00 64.86 63.76 3i7l h ILE 945 Cb 1.12 1.09 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 3i7l h ILE 945 CO 1.09 0.19 -0.33 0.00 0.00 0.00 0.00 178.15 179.10 3i7l s ALA 946 N -2.45 1.33 -0.10 1.87 0.00 -1.22 -4.54 121.76 116.66 3i7l s ALA 946 Ca -0.07 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.83 3i7l s ALA 946 Cb -0.01 1.31 0.06 0.00 0.00 0.00 0.00 23.12 24.48 3i7l s ALA 946 CO 0.23 -0.73 0.59 0.50 0.00 0.00 0.00 175.76 176.35 3i7l s ARG 947 N -3.20 0.88 -0.13 0.00 6.06 -0.80 -2.18 118.95 119.59 3i7l s ARG 947 Ca 0.36 0.34 -0.11 0.00 -2.50 0.00 0.00 55.73 53.82 3i7l s ARG 947 Cb 0.01 0.42 -0.05 0.00 0.06 0.00 0.00 34.95 35.39 3i7l s ARG 947 CO 0.24 -0.23 0.23 0.34 -2.50 0.00 0.00 175.30 173.39 3i7l s ASP 948 N -0.78 6.43 -0.83 -2.12 -1.08 -1.07 -1.61 116.67 115.61 3i7l s ASP 948 Ca -0.08 0.51 0.02 0.00 -0.52 0.00 0.00 52.55 52.47 3i7l s ASP 948 Cb -0.02 -2.14 0.29 0.00 -1.46 0.00 0.00 42.92 39.59 3i7l s ASP 948 CO 0.06 0.23 1.18 0.49 0.52 0.00 0.00 175.17 177.66 3i7l n PHE 949 N 2.86 3.14 -4.19 -5.34 3.01 -1.26 -4.26 117.46 111.42 3i7l n PHE 949 Ca -0.15 -3.39 -0.17 0.00 1.01 0.00 0.00 57.45 54.75 3i7l n PHE 949 Cb 0.53 -0.86 -0.11 0.00 -0.01 0.00 0.00 39.48 39.02 3i7l n PHE 949 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i7l s ASN 950 N -2.28 1.68 -1.49 4.37 -0.87 -1.26 -5.05 114.94 110.05 3i7l s ASN 950 Ca 0.39 -0.74 -0.08 0.00 -1.57 0.00 0.00 52.86 50.85 3i7l s ASN 950 Cb 0.15 -0.03 0.01 0.00 -0.02 0.00 0.00 41.25 41.35 3i7l s ASN 950 CO -0.01 -0.17 2.69 -0.81 -2.57 0.00 0.00 177.10 176.23 3i7l n PRO 951 N 0.79 4.09 -2.90 -0.60 -0.04 -1.26 -3.96 135.00 131.11 3i7l n PRO 951 Ca -0.18 -2.78 -0.42 0.00 -0.04 0.00 0.00 63.50 60.09 3i7l n PRO 951 Cb 0.56 -2.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.24 3i7l n PRO 951 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i7l s ASN 952 N 1.38 6.80 -0.52 3.54 0.01 -0.86 -4.98 114.94 120.31 3i7l s ASN 952 Ca 0.62 0.97 -0.26 0.00 -0.71 0.00 0.00 52.86 53.48 3i7l s ASN 952 Cb 0.18 -2.43 0.03 0.00 0.41 0.00 0.00 41.25 39.44 3i7l s ASN 952 CO -0.08 -0.53 1.02 0.26 -1.51 0.00 0.00 177.10 176.26 3i7l s TRP 953 N 2.86 2.80 0.49 2.20 0.52 -1.26 -3.93 118.94 122.62 3i7l s TRP 953 Ca 0.34 0.30 -0.21 0.00 0.02 0.00 0.00 56.10 56.55 3i7l s TRP 953 Cb -0.15 -4.19 -0.07 0.00 -1.15 0.00 0.00 33.47 27.91 3i7l s TRP 953 CO 0.08 -1.31 1.11 -1.64 0.02 0.00 0.00 176.95 175.21 3i7l s MET 954 N 4.17 3.67 0.00 4.98 -1.94 -1.26 0.13 119.30 129.05 3i7l s MET 954 Ca 0.38 1.61 0.00 0.00 -1.71 0.00 0.00 55.69 55.96 3i7l s MET 954 Cb -0.10 -2.22 0.00 0.00 2.01 0.00 0.00 34.83 34.53 3i7l s MET 954 CO 0.25 -0.59 0.00 -1.13 -0.01 0.00 0.00 175.02 173.54 3i7l n SER 955 N -0.83 3.42 -3.59 3.03 3.41 0.10 -4.67 113.62 114.49 3i7l n SER 955 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3i7l n SER 955 Cb 0.50 0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 64.88 3i7l n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7l s ALA 956 N -1.57 -1.09 -0.10 7.33 0.00 -0.90 -4.72 121.76 120.71 3i7l s ALA 956 Ca 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 3i7l s ALA 956 Cb 0.00 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.88 3i7l s ALA 956 CO 0.00 -0.66 0.41 0.08 0.00 0.00 0.00 175.76 175.59 3i7l s VAL 957 N -3.73 0.02 -0.20 0.00 1.01 -1.26 -1.51 120.40 114.73 3i7l s VAL 957 Ca 0.02 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 3i7l s VAL 957 Cb 0.01 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3i7l s VAL 957 CO -0.12 -0.08 0.59 -0.70 0.00 0.00 0.00 175.10 174.79 3i7l s GLU 958 N -0.39 0.73 -0.42 2.72 2.56 0.13 -4.74 118.70 119.29 3i7l s GLU 958 Ca -0.05 0.72 -0.20 0.00 0.00 0.00 0.00 54.97 55.44 3i7l s GLU 958 Cb -0.03 0.35 0.02 0.00 2.00 0.00 0.00 34.13 36.47 3i7l s GLU 958 CO 0.03 -0.11 0.59 0.42 -0.56 0.00 0.00 175.26 175.62 3i7l s ILE 959 N 0.09 4.90 0.03 -3.70 1.01 -1.26 -0.30 121.20 121.97 3i7l s ILE 959 Ca -0.02 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 3i7l s ILE 959 Cb -0.04 -4.14 -0.18 0.00 0.01 0.00 0.00 42.46 38.12 3i7l s ILE 959 CO 0.02 -0.50 1.23 -0.07 0.00 0.00 0.00 174.94 175.62 3i7l h LEU 960 N 9.48 0.53 0.00 2.97 3.38 -1.45 -3.49 115.31 126.73 3i7l h LEU 960 Ca -0.26 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.08 3i7l h LEU 960 Cb 1.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3i7l h LEU 960 CO 0.86 1.07 0.00 -0.90 0.09 0.00 0.00 178.44 179.55 3i7l n ASP 961 N -4.33 0.00 -0.22 -0.43 5.75 -0.90 -4.97 116.55 111.46 3i7l n ASP 961 Ca -0.08 -0.81 0.02 0.00 -0.01 0.00 0.00 54.79 53.91 3i7l n ASP 961 Cb 0.54 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.76 3i7l n ASP 961 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3i7l h ASP 962 N 0.00 0.04 -0.07 -1.12 3.32 -2.00 -3.03 116.42 113.56 3i7l h ASP 962 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i7l h ASP 962 Cb 0.00 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3i7l h ASP 962 CO 0.00 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 178.00 3i7l n ASP 963 N -5.12 1.96 -4.22 6.45 8.00 -1.26 -4.94 116.55 117.42 3i7l n ASP 963 Ca 0.11 -1.51 -0.34 0.00 0.71 0.00 0.00 54.79 53.76 3i7l n ASP 963 Cb 0.36 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.27 3i7l n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i7l s ASN 964 N -0.80 3.65 -0.13 -2.24 0.02 -1.14 -4.00 114.94 110.29 3i7l s ASN 964 Ca 0.12 -0.52 0.02 0.00 -1.02 0.00 0.00 52.86 51.47 3i7l s ASN 964 Cb 0.08 -1.59 0.01 0.00 0.02 0.00 0.00 41.25 39.78 3i7l s ASN 964 CO 0.12 0.02 -0.20 -0.36 0.02 0.00 0.00 177.10 176.69 3i7l s PHE 965 N 1.21 2.51 -0.06 2.20 0.40 -0.75 -1.03 117.98 122.46 3i7l s PHE 965 Ca 0.02 -1.26 -0.01 0.00 -0.60 0.00 0.00 56.93 55.08 3i7l s PHE 965 Cb -0.14 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 3i7l s PHE 965 CO -0.06 -0.59 0.02 -1.17 0.70 0.00 0.00 175.22 174.13 3i7l s LEU 966 N 0.87 3.67 -0.11 -0.37 1.98 0.59 -0.65 118.68 124.66 3i7l s LEU 966 Ca -0.07 0.14 -0.20 0.00 -2.89 0.00 0.00 54.13 51.11 3i7l s LEU 966 Cb -0.15 -1.93 0.05 0.00 0.66 0.00 0.00 46.19 44.82 3i7l s LEU 966 CO -0.02 0.35 0.50 -0.83 -1.89 0.00 0.00 176.35 174.46 3i7l s GLY 967 N -1.12 -0.37 0.01 7.98 0.00 -1.05 0.21 107.32 112.98 3i7l s GLY 967 Ca 0.16 1.11 0.08 0.00 0.00 0.00 0.00 44.72 46.07 3i7l s GLY 967 CO 0.05 0.87 -0.24 0.00 0.00 0.00 0.00 173.10 173.78 3i7l s ALA 968 N -0.54 2.05 0.07 3.20 0.00 -0.57 -1.74 121.76 124.24 3i7l s ALA 968 Ca -0.07 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3i7l s ALA 968 Cb -0.03 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3i7l s ALA 968 CO 0.04 0.49 -0.08 -2.00 0.00 0.00 0.00 175.76 174.21 3i7l s GLU 969 N -0.87 0.67 0.00 0.00 -6.30 -1.12 0.01 118.70 111.09 3i7l s GLU 969 Ca 0.10 -0.99 0.00 0.00 -2.50 0.00 0.00 54.97 51.58 3i7l s GLU 969 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 34.13 33.71 3i7l s GLU 969 CO 0.00 0.04 0.14 0.09 0.02 0.00 0.00 175.26 175.55 3i7l n ASN 970 N 0.89 0.00 -0.62 -1.70 4.13 0.12 -2.13 115.26 115.95 3i7l n ASN 970 Ca -0.19 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.13 3i7l n ASN 970 Cb 0.57 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.96 3i7l n ASN 970 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i7l n ALA 971 N -0.57 3.05 -2.12 5.41 0.00 -1.26 -4.97 120.51 120.05 3i7l n ALA 971 Ca 0.00 -2.87 -0.18 0.00 0.00 0.00 0.00 53.44 50.39 3i7l n ALA 971 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3i7l n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i7l n PHE 972 N -0.86 -0.62 -4.17 0.00 0.99 -0.90 -4.86 117.46 107.03 3i7l n PHE 972 Ca 0.15 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.29 3i7l n PHE 972 Cb 0.75 -3.42 -0.08 0.00 -1.00 0.00 0.00 39.48 35.73 3i7l n PHE 972 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3i7l s ASN 973 N -2.36 5.05 0.23 4.37 0.01 -1.25 -0.45 114.94 120.53 3i7l s ASN 973 Ca 0.00 -0.14 0.07 0.00 -0.71 0.00 0.00 52.86 52.09 3i7l s ASN 973 Cb 0.00 -1.23 -0.04 0.00 0.41 0.00 0.00 41.25 40.39 3i7l s ASN 973 CO 0.00 0.20 0.11 -0.76 -1.51 0.00 0.00 177.10 175.14 3i7l s LEU 974 N -2.12 3.58 0.17 0.60 1.43 0.82 -2.80 118.68 120.36 3i7l s LEU 974 Ca 0.24 -0.35 -0.19 0.00 -1.03 0.00 0.00 54.13 52.81 3i7l s LEU 974 Cb -0.12 -2.14 0.04 0.00 0.03 0.00 0.00 46.19 44.00 3i7l s LEU 974 CO 0.16 0.01 0.51 0.72 0.23 0.00 0.00 176.35 177.99 3i7l s PHE 975 N -2.05 -0.25 -0.04 0.29 -0.12 -0.71 -2.47 117.98 112.63 3i7l s PHE 975 Ca 0.31 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 3i7l s PHE 975 Cb -0.08 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 3i7l s PHE 975 CO 0.22 -0.85 -0.12 0.08 -0.05 0.00 0.00 175.22 174.50 3i7l s VAL 976 N -3.82 1.07 0.08 -2.49 1.01 -0.21 -2.52 120.40 113.52 3i7l s VAL 976 Ca 0.05 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3i7l s VAL 976 Cb -0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3i7l s VAL 976 CO -0.08 0.33 -0.06 0.00 0.00 0.00 0.00 175.10 175.28 3i7l s GLN 978 N -2.10 0.26 0.29 0.00 0.74 -0.50 -1.80 119.66 116.54 3i7l s GLN 978 Ca 0.22 -0.25 -0.28 0.00 0.05 0.00 0.00 55.36 55.10 3i7l s GLN 978 Cb -0.11 0.10 -0.09 0.00 1.10 0.00 0.00 33.01 34.01 3i7l s GLN 978 CO 0.14 -0.05 0.97 -1.59 -0.55 0.00 0.00 175.29 174.21 3i7l s LYS 979 N -0.79 4.69 0.57 1.67 -2.85 -1.26 -0.47 119.74 121.30 3i7l s LYS 979 Ca -0.09 1.48 -0.21 0.00 -1.00 0.00 0.00 55.97 56.15 3i7l s LYS 979 Cb -0.05 -3.05 -0.04 0.00 -2.06 0.00 0.00 37.83 32.63 3i7l s LYS 979 CO 0.00 0.35 1.33 0.34 0.10 0.00 0.00 175.35 177.47 3i7l s ASP 980 N -1.32 5.15 -0.62 0.03 2.15 -1.25 -4.89 116.67 115.91 3i7l s ASP 980 Ca 0.46 2.70 0.02 0.00 0.43 0.00 0.00 52.55 56.16 3i7l s ASP 980 Cb -0.24 -2.63 0.38 0.00 -0.30 0.00 0.00 42.92 40.14 3i7l s ASP 980 CO 0.30 -1.65 1.46 -0.24 -0.17 0.00 0.00 175.17 174.88 3i7l n SER 981 N -1.23 5.84 -4.02 -0.34 2.88 -1.26 -4.78 113.62 110.70 3i7l n SER 981 Ca 0.12 -3.76 -0.10 0.00 -1.33 0.00 0.00 58.87 53.80 3i7l n SER 981 Cb 0.46 -0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 63.13 3i7l n SER 981 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i7l s ALA 982 N -3.77 0.19 1.32 -1.46 0.00 -1.26 -5.18 121.76 111.61 3i7l s ALA 982 Ca 0.49 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.21 3i7l s ALA 982 Cb 0.40 0.97 0.33 0.00 0.00 0.00 0.00 23.12 24.82 3i7l s ALA 982 CO -0.27 -0.66 0.98 0.00 0.00 0.00 0.00 175.76 175.81 3i7l s ALA 983 N -4.01 -0.46 -0.57 0.00 0.00 -1.26 -4.59 121.76 110.87 3i7l s ALA 983 Ca 0.22 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3i7l s ALA 983 Cb 0.03 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 3i7l s ALA 983 CO 0.03 -4.25 0.50 0.25 0.00 0.00 0.00 175.76 172.29 3i7l n THR 984 N -5.32 -4.88 0.16 0.00 -2.24 -1.26 -4.57 114.28 96.18 3i7l n THR 984 Ca 0.10 -0.62 0.01 0.00 -2.27 0.00 0.00 64.05 61.27 3i7l n THR 984 Cb 0.59 -4.65 0.05 0.00 -2.10 0.00 0.00 70.33 64.21 3i7l n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i7l n THR 985 N -2.47 0.00 -0.00 4.28 -2.24 -1.26 -0.88 114.28 111.70 3i7l n THR 985 Ca -0.06 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 3i7l n THR 985 Cb 0.57 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 3i7l n THR 985 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3i7l h ASP 986 N 0.00 0.00 0.00 3.42 5.19 -1.94 -3.40 116.42 119.69 3i7l h ASP 986 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i7l h ASP 986 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3i7l h ASP 986 CO 0.00 0.89 0.00 1.21 -3.12 0.00 0.00 179.24 178.22 3i7l n GLU 987 N -3.02 0.00 0.10 3.56 4.07 -0.06 -4.47 120.64 120.81 3i7l n GLU 987 Ca -0.14 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 56.96 3i7l n GLU 987 Cb 0.99 -0.25 0.29 0.00 -0.06 0.00 0.00 31.44 32.40 3i7l n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i7l h GLU 988 N 0.00 0.26 -0.00 5.31 5.08 -1.78 -0.34 114.58 123.10 3i7l h GLU 988 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3i7l h GLU 988 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3i7l h GLU 988 CO 0.00 0.53 -0.00 -2.13 -1.00 0.00 0.00 179.01 176.41 3i7l n ARG 989 N -4.13 0.85 -0.06 2.33 3.00 -1.26 -3.45 116.66 113.94 3i7l n ARG 989 Ca -0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.85 57.76 3i7l n ARG 989 Cb 0.39 -1.50 -0.15 0.00 0.00 0.00 0.00 32.46 31.20 3i7l n ARG 989 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3i7l n GLN 990 N -1.06 0.67 -3.72 -0.14 -0.06 -0.17 -4.65 117.38 108.24 3i7l n GLN 990 Ca 0.21 0.05 -0.31 0.00 -2.00 0.00 0.00 57.00 54.95 3i7l n GLN 990 Cb 0.15 -1.60 -0.04 0.00 -4.06 0.00 0.00 30.24 24.69 3i7l n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i7l s HIS 991 N -2.66 3.48 -0.09 3.69 3.76 -1.02 -1.90 115.29 120.55 3i7l s HIS 991 Ca -0.08 0.47 0.04 0.00 -0.15 0.00 0.00 55.06 55.34 3i7l s HIS 991 Cb 0.07 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.83 3i7l s HIS 991 CO 0.84 0.46 -0.21 -0.48 -0.85 0.00 0.00 174.74 174.49 3i7l s LEU 992 N -2.70 1.98 -0.08 0.89 0.05 -0.63 -3.96 118.68 114.22 3i7l s LEU 992 Ca 0.40 -0.50 -0.25 0.00 0.05 0.00 0.00 54.13 53.83 3i7l s LEU 992 Cb -0.12 -1.27 -0.03 0.00 -2.05 0.00 0.00 46.19 42.72 3i7l s LEU 992 CO 0.26 0.13 0.78 -1.10 -0.55 0.00 0.00 176.35 175.87 3i7l s GLN 993 N 0.44 4.42 -0.80 1.48 1.11 0.38 -4.60 119.66 122.09 3i7l s GLN 993 Ca -0.17 1.01 -0.25 0.00 0.01 0.00 0.00 55.36 55.95 3i7l s GLN 993 Cb -0.17 -3.49 -0.06 0.00 -1.01 0.00 0.00 33.01 28.28 3i7l s GLN 993 CO 0.07 -0.06 2.07 -1.21 0.01 0.00 0.00 175.29 176.17 3i7l s GLU 994 N 1.21 2.32 0.00 2.91 2.02 -1.26 -1.41 118.70 124.49 3i7l s GLU 994 Ca 0.40 0.15 0.28 0.00 0.02 0.00 0.00 54.97 55.82 3i7l s GLU 994 Cb -0.18 -4.85 1.10 0.00 0.10 0.00 0.00 34.13 30.30 3i7l s GLU 994 CO 0.18 -3.51 1.78 1.33 0.02 0.00 0.00 175.26 175.07 3i7l n VAL 995 N 7.98 0.00 -3.81 2.63 0.24 0.19 -4.83 118.33 120.73 3i7l n VAL 995 Ca 0.38 -0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.46 3i7l n VAL 995 Cb 0.47 0.08 -0.14 0.00 -1.47 0.00 0.00 33.84 32.79 3i7l n VAL 995 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3i7l s GLY 996 N -2.42 -0.04 -0.09 7.63 0.00 -0.90 -4.13 107.32 107.36 3i7l s GLY 996 Ca 0.29 0.34 -0.06 0.00 0.00 0.00 0.00 44.72 45.30 3i7l s GLY 996 CO 0.47 0.42 0.23 1.08 0.00 0.00 0.00 173.10 175.30 3i7l s LEU 997 N 0.37 0.72 -0.28 0.66 1.43 -0.59 -1.04 118.68 119.95 3i7l s LEU 997 Ca -0.03 0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 53.32 3i7l s LEU 997 Cb -0.04 0.71 0.11 0.00 0.03 0.00 0.00 46.19 47.00 3i7l s LEU 997 CO -0.01 -0.13 0.92 0.12 0.23 0.00 0.00 176.35 177.48 3i7l s PHE 998 N 0.82 -0.61 -0.44 0.29 5.36 -1.03 0.53 117.98 122.90 3i7l s PHE 998 Ca -0.06 1.42 -0.15 0.00 -0.96 0.00 0.00 56.93 57.18 3i7l s PHE 998 Cb -0.07 0.36 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 3i7l s PHE 998 CO -0.05 -0.30 0.35 -1.58 -1.46 0.00 0.00 175.22 172.18 3i7l s HIS 999 N 0.55 3.24 0.04 10.12 5.65 -0.18 -0.12 115.29 134.59 3i7l s HIS 999 Ca -0.00 -0.75 -0.21 0.00 0.25 0.00 0.00 55.06 54.34 3i7l s HIS 999 Cb -0.05 -2.88 -0.14 0.00 -1.18 0.00 0.00 32.58 28.33 3i7l s HIS 999 CO -0.07 -0.69 1.38 1.25 -0.65 0.00 0.00 174.74 175.96 3i7l h LEU 1000N 8.70 0.31 0.00 8.88 6.46 -1.09 -3.43 115.31 135.15 3i7l h LEU 1000Ca -0.28 -0.43 0.00 0.00 -0.12 0.00 0.00 57.88 57.06 3i7l h LEU 1000Cb 1.12 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 3i7l h LEU 1000CO 0.80 0.67 0.00 0.61 -0.62 0.00 0.00 178.44 179.91 3i7l n GLY 1001N 0.04 0.47 3.14 3.75 0.00 -0.71 -5.05 105.19 106.84 3i7l n GLY 1001Ca -0.06 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 3i7l n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7l s GLU 1002N -0.94 0.74 -0.18 1.61 0.41 -1.26 -4.94 118.70 114.13 3i7l s GLU 1002Ca 0.00 -0.93 -0.21 0.00 -0.41 0.00 0.00 54.97 53.42 3i7l s GLU 1002Cb 0.00 -0.62 -0.03 0.00 -1.78 0.00 0.00 34.13 31.71 3i7l s GLU 1002CO 0.00 0.13 0.62 0.12 -0.49 0.00 0.00 175.26 175.64 3i7l s PHE 1003N -1.52 3.40 -0.28 1.61 5.36 -1.26 -4.44 117.98 120.86 3i7l s PHE 1003Ca -0.03 0.95 -0.10 0.00 -0.96 0.00 0.00 56.93 56.78 3i7l s PHE 1003Cb -0.09 -2.78 -0.05 0.00 -0.34 0.00 0.00 43.02 39.76 3i7l s PHE 1003CO 0.01 -0.13 0.17 0.08 -1.46 0.00 0.00 175.22 173.89 3i7l s VAL 1004N 1.74 5.15 -0.09 3.12 1.01 -1.26 -1.92 120.40 128.15 3i7l s VAL 1004Ca 0.29 0.11 0.12 0.00 0.00 0.00 0.00 61.98 62.50 3i7l s VAL 1004Cb -0.16 -3.45 -0.24 0.00 0.00 0.00 0.00 36.38 32.53 3i7l s VAL 1004CO 0.11 0.26 0.47 0.59 0.00 0.00 0.00 175.10 176.53 3i7l n ASN 1005N 5.04 0.81 -3.72 3.32 5.03 -0.30 -4.05 115.26 121.38 3i7l n ASN 1005Ca -0.14 0.28 -0.14 0.00 0.87 0.00 0.00 54.58 55.45 3i7l n ASN 1005Cb 0.52 0.11 -0.14 0.00 -1.02 0.00 0.00 39.78 39.25 3i7l n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i7l s VAL 1006N -2.57 -0.10 -0.04 2.41 0.11 -1.23 -4.74 120.40 114.25 3i7l s VAL 1006Ca -0.08 0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 3i7l s VAL 1006Cb 0.07 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 3i7l s VAL 1006CO 0.81 0.08 0.15 -0.36 -3.33 0.00 0.00 175.10 172.45 3i7l s PHE 1007N 1.43 3.50 -0.20 1.54 0.40 -1.26 -1.50 117.98 121.89 3i7l s PHE 1007Ca -0.07 0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 56.37 3i7l s PHE 1007Cb -0.11 -1.84 0.07 0.00 0.51 0.00 0.00 43.02 41.64 3i7l s PHE 1007CO -0.07 0.65 0.70 0.00 0.70 0.00 0.00 175.22 177.20 3i7l s HIS 1009N -0.09 2.95 -3.47 0.00 3.76 -1.26 -1.41 115.29 115.76 3i7l s HIS 1009Ca -0.03 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3i7l s HIS 1009Cb -0.04 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.92 3i7l s HIS 1009CO 0.04 -2.70 0.00 0.41 -0.85 0.00 0.00 174.74 171.64 3i7l n GLY 1010N 3.65 -2.12 3.26 -2.22 0.00 -0.41 -4.87 105.19 102.48 3i7l n GLY 1010Ca 0.13 -1.20 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 3i7l n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7l s SER 1011N -1.01 -0.25 0.01 1.61 0.15 -1.26 -4.29 113.70 108.66 3i7l s SER 1011Ca 0.00 0.21 0.25 0.00 0.70 0.00 0.00 55.95 57.12 3i7l s SER 1011Cb 0.00 0.38 0.56 0.00 -1.71 0.00 0.00 66.02 65.25 3i7l s SER 1011CO 0.00 -0.42 1.45 0.18 1.20 0.00 0.00 173.24 175.65 3i7l n LEU 1012N 1.44 0.47 -0.05 3.45 4.77 -1.26 -3.30 117.00 122.51 3i7l n LEU 1012Ca -0.20 0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 3i7l n LEU 1012Cb 0.56 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3i7l n LEU 1012CO 0.21 0.10 0.00 -0.37 -1.33 0.00 0.00 177.39 176.01 3i7l h VAL 1013N 0.00 0.15 -0.49 4.08 -1.51 -1.82 -3.39 116.25 113.26 3i7l h VAL 1013Ca 0.00 -1.11 -0.41 0.00 -1.23 0.00 0.00 66.70 63.95 3i7l h VAL 1013Cb 0.52 0.28 0.02 0.00 -2.13 0.00 0.00 31.29 29.97 3i7l h VAL 1013CO 0.00 0.05 0.17 0.80 -1.23 0.00 0.00 177.57 177.36 3i7l n MET 1014N -4.75 0.00 -0.12 5.19 0.00 -1.26 -4.80 117.12 111.37 3i7l n MET 1014Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.70 57.80 3i7l n MET 1014Cb 0.06 -0.74 0.46 0.00 0.00 0.00 0.00 33.22 33.01 3i7l n MET 1014CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i7l h GLN 1015N 1.92 0.48 0.00 2.12 4.15 -1.92 -3.20 115.11 118.66 3i7l h GLN 1015Ca -0.24 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3i7l h GLN 1015Cb 0.69 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3i7l h GLN 1015CO 0.39 0.32 0.00 -0.35 -1.93 0.00 0.00 178.83 177.26 3i7l n PRO 1023N -4.48 0.00 -4.41 -2.39 -0.04 -1.26 -2.76 135.00 119.66 3i7l n PRO 1023Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 3i7l n PRO 1023Cb 0.37 -0.51 -0.11 0.00 -0.04 0.00 0.00 33.50 33.21 3i7l n PRO 1023CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3i7l s THR 1024N 0.00 2.17 -0.09 0.52 -4.23 -1.26 -4.70 115.64 108.05 3i7l s THR 1024Ca 0.00 -2.20 0.03 0.00 -1.18 0.00 0.00 61.69 58.34 3i7l s THR 1024Cb 0.00 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.73 3i7l s THR 1024CO 0.00 -0.37 -0.17 -1.58 -0.54 0.00 0.00 174.62 171.96 3i7l s GLN 1025N -3.23 2.32 0.00 3.99 0.74 -0.98 -4.96 119.66 117.53 3i7l s GLN 1025Ca 0.24 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 55.03 3i7l s GLN 1025Cb -0.05 -1.86 0.00 0.00 1.10 0.00 0.00 33.01 32.20 3i7l s GLN 1025CO 0.11 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.30 3i7l n GLY 1026N 3.86 -1.16 2.77 2.59 0.00 -1.26 -0.43 105.19 111.55 3i7l n GLY 1026Ca -0.20 -1.54 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 3i7l n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i7l s SER 1027N -2.53 1.34 -0.24 1.61 0.15 -1.26 -4.50 113.70 108.27 3i7l s SER 1027Ca 0.00 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3i7l s SER 1027Cb 0.00 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.83 3i7l s SER 1027CO 0.00 -0.34 -0.11 -0.69 1.20 0.00 0.00 173.24 173.30 3i7l s VAL 1028N 2.35 2.38 0.32 4.45 1.01 0.02 -1.29 120.40 129.65 3i7l s VAL 1028Ca 0.08 -1.29 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 3i7l s VAL 1028Cb -0.15 -2.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.90 3i7l s VAL 1028CO -0.17 0.16 0.66 -0.76 0.00 0.00 0.00 175.10 174.99 3i7l s LEU 1029N 1.22 4.01 -0.08 3.92 1.43 -0.50 -0.77 118.68 127.89 3i7l s LEU 1029Ca -0.03 1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.97 3i7l s LEU 1029Cb -0.17 -3.82 0.02 0.00 0.03 0.00 0.00 46.19 42.25 3i7l s LEU 1029CO -0.07 -0.24 0.27 0.72 0.23 0.00 0.00 176.35 177.26 3i7l s PHE 1030N -2.10 -0.26 0.13 0.29 -0.12 -0.85 -0.83 117.98 114.24 3i7l s PHE 1030Ca 0.49 0.62 0.10 0.00 -0.05 0.00 0.00 56.93 58.08 3i7l s PHE 1030Cb -0.11 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3i7l s PHE 1030CO 0.26 -0.18 -0.22 0.20 -0.05 0.00 0.00 175.22 175.22 3i7l s GLY 1031N -0.14 1.64 0.18 1.99 0.00 -0.57 -0.89 107.32 109.54 3i7l s GLY 1031Ca -0.03 -1.43 0.07 0.00 0.00 0.00 0.00 44.72 43.33 3i7l s GLY 1031CO 0.01 -1.41 -0.14 -0.51 0.00 0.00 0.00 173.10 171.05 3i7l s THR 1032N -1.15 1.59 0.43 0.90 -4.23 -0.97 -1.15 115.64 111.06 3i7l s THR 1032Ca 0.16 -2.08 0.22 0.00 -1.18 0.00 0.00 61.69 58.81 3i7l s THR 1032Cb -0.10 -1.91 0.42 0.00 1.34 0.00 0.00 72.50 72.25 3i7l s THR 1032CO 0.08 -0.56 1.78 0.58 -0.54 0.00 0.00 174.62 175.96 3i7l h VAL 1033N 2.81 0.50 -0.01 2.29 2.07 -1.63 0.02 116.25 122.30 3i7l h VAL 1033Ca -0.39 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3i7l h VAL 1033Cb 1.21 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3i7l h VAL 1033CO 0.59 0.06 -0.02 0.59 0.02 0.00 0.00 177.57 178.81 3i7l n ASN 1034N -4.55 0.88 0.00 0.57 5.03 -1.26 -2.92 115.26 113.02 3i7l n ASN 1034Ca 0.25 -1.24 0.00 0.00 0.87 0.00 0.00 54.58 54.47 3i7l n ASN 1034Cb 0.95 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.70 3i7l n ASN 1034CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i7l n GLY 1035N 1.13 0.58 3.86 7.41 0.00 -0.03 -1.71 105.19 116.43 3i7l n GLY 1035Ca 0.20 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3i7l n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i7l s MET 1036N -2.66 3.57 -0.07 1.61 0.00 -1.26 -4.13 119.30 116.36 3i7l s MET 1036Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 55.69 55.66 3i7l s MET 1036Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 34.83 31.59 3i7l s MET 1036CO 0.00 0.73 -0.13 0.42 0.00 0.00 0.00 175.02 176.04 3i7l s ILE 1037N -0.93 3.18 0.30 10.11 1.01 -0.99 -2.28 121.20 131.60 3i7l s ILE 1037Ca 0.16 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.17 3i7l s ILE 1037Cb -0.13 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 3i7l s ILE 1037CO 0.05 0.58 0.10 -0.83 0.00 0.00 0.00 174.94 174.83 3i7l s GLY 1038N -0.49 1.98 -0.05 6.18 0.00 -0.07 -1.39 107.32 113.47 3i7l s GLY 1038Ca 0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 44.72 42.90 3i7l s GLY 1038CO 0.02 -1.69 0.13 -2.27 0.00 0.00 0.00 173.10 169.29 3i7l s LEU 1039N -3.41 1.27 -0.08 0.66 2.96 -0.35 -2.01 118.68 117.72 3i7l s LEU 1039Ca 0.36 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 3i7l s LEU 1039Cb 0.07 0.42 -0.01 0.00 0.50 0.00 0.00 46.19 47.17 3i7l s LEU 1039CO 0.15 -0.08 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.19 3i7l s VAL 1040N 0.41 2.31 0.38 1.68 1.01 0.05 -2.00 120.40 124.24 3i7l s VAL 1040Ca -0.03 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.03 3i7l s VAL 1040Cb -0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3i7l s VAL 1040CO -0.02 0.56 0.10 -0.89 0.00 0.00 0.00 175.10 174.86 3i7l s THR 1041N 0.01 0.80 0.30 3.92 2.01 -0.95 -0.80 115.64 120.93 3i7l s THR 1041Ca -0.08 -2.00 0.09 0.00 0.31 0.00 0.00 61.69 60.01 3i7l s THR 1041Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 3i7l s THR 1041CO 0.05 0.00 0.09 -0.44 -0.69 0.00 0.00 174.62 173.63 3i7l s SER 1042N -3.57 4.75 0.05 3.53 0.01 0.43 -2.41 113.70 116.47 3i7l s SER 1042Ca 0.27 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.88 3i7l s SER 1042Cb 0.05 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.37 3i7l s SER 1042CO 0.14 -0.14 -0.03 -0.76 0.41 0.00 0.00 173.24 172.86 3i7l s LEU 1043N -3.78 2.44 0.79 2.44 1.43 -0.52 -2.31 118.68 119.18 3i7l s LEU 1043Ca 0.35 -0.91 -0.12 0.00 -1.03 0.00 0.00 54.13 52.42 3i7l s LEU 1043Cb -0.05 0.17 0.06 0.00 0.03 0.00 0.00 46.19 46.41 3i7l s LEU 1043CO 0.22 -0.54 1.14 -0.94 0.23 0.00 0.00 176.35 176.46 3i7l s SER 1044N -2.66 4.68 0.34 2.29 1.04 -1.26 -4.65 113.70 113.48 3i7l s SER 1044Ca 0.03 0.97 0.05 0.00 0.48 0.00 0.00 55.95 57.48 3i7l s SER 1044Cb 0.05 -1.60 0.60 0.00 0.10 0.00 0.00 66.02 65.17 3i7l s SER 1044CO -0.08 -1.81 1.86 1.05 0.98 0.00 0.00 173.24 175.24 3i7l h GLU 1045N -0.99 0.48 -0.01 4.02 9.09 -1.99 -1.78 114.58 123.40 3i7l h GLU 1045Ca -0.46 -0.11 -0.12 0.00 0.05 0.00 0.00 59.36 58.72 3i7l h GLU 1045Cb 1.30 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 28.34 3i7l h GLU 1045CO 0.64 0.55 -0.45 0.66 0.05 0.00 0.00 179.01 180.46 3i7l h SER 1046N 0.46 0.42 0.27 3.06 4.64 -1.98 -0.34 113.55 120.07 3i7l h SER 1046Ca 0.10 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.67 3i7l h SER 1046Cb 0.37 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3i7l h SER 1046CO 0.02 1.11 -0.30 -0.50 -0.87 0.00 0.00 176.83 176.28 3i7l h TRP 1047N -0.23 -0.80 -0.67 4.77 4.06 -1.96 0.36 115.95 121.48 3i7l h TRP 1047Ca -0.05 0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.02 3i7l h TRP 1047Cb 1.16 0.32 -0.12 0.00 -1.00 0.00 0.00 29.16 29.52 3i7l h TRP 1047CO 0.15 -0.43 -0.35 -0.92 -3.56 0.00 0.00 178.44 173.33 3i7l h TYR 1048N -0.61 -0.99 -0.40 0.49 3.20 -1.30 0.37 116.97 117.73 3i7l h TYR 1048Ca -0.01 0.08 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3i7l h TYR 1048Cb 0.57 0.53 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3i7l h TYR 1048CO -0.20 -0.39 -0.01 -0.91 -1.64 0.00 0.00 178.16 175.01 3i7l h ASN 1049N -0.14 0.71 -0.57 -2.11 2.35 -0.78 1.39 115.58 116.43 3i7l h ASN 1049Ca 0.25 -0.31 0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3i7l h ASN 1049Cb 0.56 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.65 3i7l h ASN 1049CO -0.74 0.85 0.09 0.25 -1.65 0.00 0.00 177.43 176.23 3i7l h LEU 1050N 0.55 -0.06 -0.20 1.61 6.46 0.41 -0.52 115.31 123.56 3i7l h LEU 1050Ca 0.11 0.11 -0.22 0.00 -0.12 0.00 0.00 57.88 57.77 3i7l h LEU 1050Cb 0.49 0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.60 3i7l h LEU 1050CO 0.02 -0.01 -0.74 -0.07 -0.62 0.00 0.00 178.44 177.01 3i7l h LEU 1051N 0.22 0.92 -0.53 2.25 3.38 0.39 -1.26 115.31 120.67 3i7l h LEU 1051Ca 0.30 -0.58 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3i7l h LEU 1051Cb 0.44 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3i7l h LEU 1051CO -0.41 1.38 0.30 0.25 0.09 0.00 0.00 178.44 180.05 3i7l h LEU 1052N 0.54 0.47 0.51 1.67 6.46 0.21 -1.95 115.31 123.21 3i7l h LEU 1052Ca -0.04 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 3i7l h LEU 1052Cb 1.37 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 3i7l h LEU 1052CO 0.15 0.33 -0.35 -0.78 -0.62 0.00 0.00 178.44 177.17 3i7l h ASP 1053N 0.59 -0.90 0.00 1.25 3.58 -0.99 -2.24 116.42 117.71 3i7l h ASP 1053Ca 0.22 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.73 3i7l h ASP 1053Cb 0.07 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3i7l h ASP 1053CO -0.12 -0.53 0.04 -0.03 -2.88 0.00 0.00 179.24 175.72 3i7l h MET 1054N -0.83 0.00 0.23 0.28 4.05 -0.93 -2.14 114.93 115.58 3i7l h MET 1054Ca -0.06 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.06 3i7l h MET 1054Cb 0.69 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 31.53 3i7l h MET 1054CO 0.03 0.00 -1.37 0.37 0.23 0.00 0.00 176.91 176.17 3i7l h GLN 1055N 0.00 0.48 -0.30 0.39 4.15 -0.74 -1.70 115.11 117.39 3i7l h GLN 1055Ca 0.00 -0.81 -0.13 0.00 0.77 0.00 0.00 58.65 58.48 3i7l h GLN 1055Cb 0.07 0.30 -0.00 0.00 0.21 0.00 0.00 27.48 28.06 3i7l h GLN 1055CO 0.00 1.39 -0.32 -0.91 -1.93 0.00 0.00 178.83 177.06 3i7l h ASN 1056N 0.02 0.79 -0.12 -0.69 4.21 -1.25 -1.33 115.58 117.22 3i7l h ASN 1056Ca -0.24 -0.48 0.03 0.00 1.21 0.00 0.00 56.30 56.82 3i7l h ASN 1056Cb 2.05 -0.22 -0.03 0.00 -1.12 0.00 0.00 38.32 38.99 3i7l h ASN 1056CO 0.24 1.11 -0.09 0.03 -1.29 0.00 0.00 177.43 177.43 3i7l h ARG 1057N 0.49 -0.09 -0.92 0.81 3.08 -1.49 -1.99 114.38 114.27 3i7l h ARG 1057Ca 0.04 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.17 3i7l h ARG 1057Cb 0.90 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.91 3i7l h ARG 1057CO 0.08 -0.06 0.60 -0.07 -1.07 0.00 0.00 179.97 179.44 3i7l h LEU 1058N -0.10 0.91 -0.85 3.04 3.38 -1.24 -2.78 115.31 117.67 3i7l h LEU 1058Ca 0.08 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3i7l h LEU 1058Cb 0.21 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 3i7l h LEU 1058CO -0.18 0.58 0.53 0.78 0.09 0.00 0.00 178.44 180.25 3i7l h ASN 1059N 1.04 0.85 -0.91 -0.43 2.35 -0.46 0.18 115.58 118.20 3i7l h ASN 1059Ca 0.40 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 3i7l h ASN 1059Cb 0.22 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3i7l h ASN 1059CO -0.15 0.56 0.52 0.11 -1.65 0.00 0.00 177.43 176.81 3i7l h LYS 1060N 0.99 1.25 0.03 0.81 1.57 -1.34 -3.22 116.57 116.67 3i7l h LYS 1060Ca 0.36 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3i7l h LYS 1060Cb 0.13 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3i7l h LYS 1060CO -0.16 0.90 -0.02 0.28 -0.57 0.00 0.00 179.45 179.88 3i7l h VAL 1061N 1.26 1.38 -2.80 0.50 2.07 -0.81 -3.46 116.25 114.40 3i7l h VAL 1061Ca 0.32 -1.62 -0.56 0.00 0.82 0.00 0.00 66.70 65.66 3i7l h VAL 1061Cb -0.00 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3i7l h VAL 1061CO -0.05 0.40 0.97 -0.63 0.02 0.00 0.00 177.57 178.27 3i7l s ILE 1062N -3.14 3.99 0.19 4.57 1.01 0.44 -5.01 121.20 123.26 3i7l s ILE 1062Ca -0.16 1.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 3i7l s ILE 1062Cb -0.01 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 3i7l s ILE 1062CO 0.61 -0.10 1.32 -0.54 0.00 0.00 0.00 174.94 176.23 3i7l s LYS 1063N 3.63 4.38 -0.11 2.79 1.02 -1.26 -4.91 119.74 125.28 3i7l s LYS 1063Ca 0.62 2.07 -0.00 0.00 0.02 0.00 0.00 55.97 58.67 3i7l s LYS 1063Cb -0.26 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3i7l s LYS 1063CO 0.21 -0.28 -0.09 -1.54 -0.92 0.00 0.00 175.35 172.74 3i7l s SER 1064N 0.41 4.44 0.00 2.83 1.04 -1.26 -5.06 113.70 116.10 3i7l s SER 1064Ca 0.57 -0.16 -0.32 0.00 0.48 0.00 0.00 55.95 56.53 3i7l s SER 1064Cb -0.37 -1.44 -0.10 0.00 0.10 0.00 0.00 66.02 64.22 3i7l s SER 1064CO 0.38 0.25 1.93 1.33 0.98 0.00 0.00 173.24 178.11 3i7l n VAL 1065N 2.98 0.68 0.00 5.02 0.24 -1.26 -0.54 118.33 125.44 3i7l n VAL 1065Ca -0.18 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3i7l n VAL 1065Cb 0.53 -2.15 0.00 0.00 -1.47 0.00 0.00 33.84 30.75 3i7l n VAL 1065CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i7l n GLY 1066N 4.47 2.65 0.81 7.63 0.00 -1.26 -4.12 105.19 115.38 3i7l n GLY 1066Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3i7l n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i7l n LYS 1067N -0.10 0.00 -3.93 1.61 5.02 0.30 -4.70 118.16 116.36 3i7l n LYS 1067Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3i7l n LYS 1067Cb 0.00 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.53 3i7l n LYS 1067CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i7l s ILE 1068N -2.48 5.36 -0.11 -0.18 1.01 -1.26 -5.00 121.20 118.54 3i7l s ILE 1068Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 3i7l s ILE 1068Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3i7l s ILE 1068CO 0.00 0.49 0.82 -0.70 0.00 0.00 0.00 174.94 175.56 3i7l s GLU 1069N -1.40 4.39 0.38 2.79 2.56 -1.26 -4.87 118.70 121.28 3i7l s GLU 1069Ca 0.20 1.06 0.10 0.00 0.00 0.00 0.00 54.97 56.33 3i7l s GLU 1069Cb -0.12 -3.52 0.88 0.00 2.00 0.00 0.00 34.13 33.37 3i7l s GLU 1069CO 0.10 -0.17 1.91 1.25 -0.56 0.00 0.00 175.26 177.79 3i7l h HIS 1070N 7.07 0.69 -0.31 5.30 -0.00 -1.96 0.60 115.15 126.55 3i7l h HIS 1070Ca -0.35 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 59.98 3i7l h HIS 1070Cb 1.17 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.34 3i7l h HIS 1070CO 0.69 0.29 -0.09 0.77 -0.00 0.00 0.00 177.93 179.58 3i7l h SER 1071N 0.61 0.49 -0.21 3.26 0.02 -1.99 -1.48 113.55 114.26 3i7l h SER 1071Ca 0.39 -0.12 -0.19 0.00 -0.84 0.00 0.00 61.79 61.03 3i7l h SER 1071Cb 0.65 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3i7l h SER 1071CO -0.15 0.63 -0.59 0.15 -1.14 0.00 0.00 176.83 175.72 3i7l h PHE 1072N 0.48 1.01 -0.06 3.45 3.57 -1.37 -2.84 116.94 121.18 3i7l h PHE 1072Ca 0.09 -0.40 0.01 0.00 3.53 0.00 0.00 57.97 61.20 3i7l h PHE 1072Cb 0.46 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3i7l h PHE 1072CO 0.02 1.21 -0.14 2.35 -2.23 0.00 0.00 178.31 179.52 3i7l h TRP 1073N 0.52 -0.41 0.00 0.41 -0.00 -0.68 -3.14 115.95 112.65 3i7l h TRP 1073Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3i7l h TRP 1073Cb 1.21 0.19 0.00 0.00 -0.00 0.00 0.00 29.16 30.56 3i7l h TRP 1073CO 0.08 -0.13 0.00 0.54 -0.00 0.00 0.00 178.44 178.93 3i7l n ARG 1074N -3.31 0.74 -1.97 2.65 5.12 -0.59 -4.76 116.66 114.54 3i7l n ARG 1074Ca -0.01 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.51 3i7l n ARG 1074Cb 0.09 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.89 3i7l n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i7l s SER 1075N -2.01 6.18 0.19 0.55 0.01 -1.08 -1.01 113.70 116.53 3i7l s SER 1075Ca 0.36 2.75 -0.31 0.00 1.31 0.00 0.00 55.95 60.06 3i7l s SER 1075Cb 0.16 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.65 3i7l s SER 1075CO 0.28 -0.95 1.55 0.12 0.41 0.00 0.00 173.24 174.65 3i7l s PHE 1076N -1.24 3.03 -0.12 2.43 5.36 0.11 -4.14 117.98 123.42 3i7l s PHE 1076Ca 0.58 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 57.21 3i7l s PHE 1076Cb -0.40 -3.92 0.06 0.00 -0.34 0.00 0.00 43.02 38.42 3i7l s PHE 1076CO 0.52 -3.31 0.24 -1.58 -1.46 0.00 0.00 175.22 169.62 3i7l s HIS 1077N 0.85 -0.36 0.00 10.12 5.65 -1.26 -1.15 115.29 129.14 3i7l s HIS 1077Ca 0.68 0.88 0.00 0.00 0.25 0.00 0.00 55.06 56.86 3i7l s HIS 1077Cb -0.44 -0.10 0.00 0.00 -1.18 0.00 0.00 32.58 30.87 3i7l s HIS 1077CO 0.35 -0.33 0.00 0.25 -0.65 0.00 0.00 174.74 174.35 3i7l n THR 1078N 5.33 0.00 -0.08 0.89 -2.24 -0.61 -4.87 114.28 112.70 3i7l n THR 1078Ca -0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 3i7l n THR 1078Cb 0.50 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 3i7l n THR 1078CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3i7l h GLU 1079N 0.00 0.73 -0.16 -0.78 4.57 -2.00 -3.34 114.58 113.60 3i7l h GLU 1079Ca 0.00 -0.44 -0.19 0.00 -1.18 0.00 0.00 59.36 57.55 3i7l h GLU 1079Cb 0.00 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3i7l h GLU 1079CO 0.00 1.06 -0.66 -0.09 -1.18 0.00 0.00 179.01 178.14 3i7l h ARG 1080N 0.46 0.62 -3.22 1.92 2.43 -1.99 -3.48 114.38 111.12 3i7l h ARG 1080Ca 0.02 -0.45 -0.05 0.00 -0.81 0.00 0.00 59.98 58.69 3i7l h ARG 1080Cb 1.00 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.49 3i7l h ARG 1080CO 0.09 1.07 -0.04 -1.59 -1.51 0.00 0.00 179.97 177.99 3i7l s LYS 1081N -3.84 1.05 -0.06 0.20 -2.85 -1.25 -5.15 119.74 107.84 3i7l s LYS 1081Ca -0.08 -0.57 -0.01 0.00 -1.00 0.00 0.00 55.97 54.31 3i7l s LYS 1081Cb 0.10 0.47 0.03 0.00 -2.06 0.00 0.00 37.83 36.37 3i7l s LYS 1081CO 0.86 -0.40 -0.00 0.99 0.10 0.00 0.00 175.35 176.90 3i7l s THR 1082N -3.39 0.35 0.08 3.79 2.01 -1.26 -1.57 115.64 115.65 3i7l s THR 1082Ca 0.00 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.15 3i7l s THR 1082Cb 0.01 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 3i7l s THR 1082CO -0.09 0.23 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.33 3i7l s GLU 1083N 1.67 0.83 0.66 4.92 0.41 -0.30 -4.98 118.70 121.91 3i7l s GLU 1083Ca 0.00 -1.01 -0.17 0.00 -0.41 0.00 0.00 54.97 53.39 3i7l s GLU 1083Cb -0.13 -0.76 -0.00 0.00 -1.78 0.00 0.00 34.13 31.46 3i7l s GLU 1083CO -0.04 0.16 1.20 -2.14 -0.49 0.00 0.00 175.26 173.95 3i7l s PRO 1084N -1.99 2.61 0.42 0.39 0.02 -1.26 0.09 135.00 135.28 3i7l s PRO 1084Ca -0.00 1.74 -0.25 0.00 0.02 0.00 0.00 61.00 62.51 3i7l s PRO 1084Cb -0.08 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.46 3i7l s PRO 1084CO 0.02 -1.47 1.27 0.00 -0.33 0.00 0.00 177.00 176.49 3i7l s ALA 1085N -1.85 3.18 0.07 -1.55 0.00 -1.26 -4.58 121.76 115.77 3i7l s ALA 1085Ca 0.75 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.92 3i7l s ALA 1085Cb -0.29 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 3i7l s ALA 1085CO 0.39 -0.81 -0.13 0.99 0.00 0.00 0.00 175.76 176.21 3i7l s THR 1086N -1.32 1.03 -1.35 0.00 2.01 0.19 -4.83 115.64 111.37 3i7l s THR 1086Ca 0.59 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 61.25 3i7l s THR 1086Cb -0.36 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.08 3i7l s THR 1086CO 0.46 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 3i7l n GLY 1087N 1.18 1.08 2.95 4.40 0.00 -1.26 -1.54 105.19 112.00 3i7l n GLY 1087Ca -0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 3i7l n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i7l s PHE 1088N -2.15 0.85 -0.20 1.61 0.40 -1.26 -0.88 117.98 116.36 3i7l s PHE 1088Ca 0.00 -0.23 -0.09 0.00 -0.60 0.00 0.00 56.93 56.01 3i7l s PHE 1088Cb 0.00 -0.66 -0.05 0.00 0.51 0.00 0.00 43.02 42.82 3i7l s PHE 1088CO 0.00 -0.14 0.10 0.42 0.70 0.00 0.00 175.22 176.30 3i7l s ILE 1089N 0.51 5.10 -1.15 0.64 1.01 0.43 -4.98 121.20 122.76 3i7l s ILE 1089Ca -0.08 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.49 3i7l s ILE 1089Cb -0.11 -3.32 0.13 0.00 0.01 0.00 0.00 42.46 39.17 3i7l s ILE 1089CO 0.01 0.44 1.44 -0.62 0.00 0.00 0.00 174.94 176.21 3i7l s ASP 1090N 0.46 6.87 0.56 3.58 -1.08 -1.26 -0.47 116.67 125.33 3i7l s ASP 1090Ca 0.06 -2.52 0.30 0.00 -0.52 0.00 0.00 52.55 49.87 3i7l s ASP 1090Cb -0.12 -2.46 1.46 0.00 -1.46 0.00 0.00 42.92 40.34 3i7l s ASP 1090CO -0.00 -0.99 1.88 1.23 0.52 0.00 0.00 175.17 177.81 3i7l h GLY 1091N 10.83 0.00 0.95 2.66 0.00 0.29 0.23 103.07 118.02 3i7l h GLY 1091Ca 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.58 3i7l h GLY 1091CO 1.29 0.00 0.05 -0.55 0.00 0.00 0.00 176.54 177.33 3i7l h ASP 1092N 0.00 0.67 0.41 0.19 3.32 -1.88 0.17 116.42 119.30 3i7l h ASP 1092Ca 0.32 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3i7l h ASP 1092Cb 1.48 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3i7l h ASP 1092CO -0.00 0.77 -0.20 0.25 -1.72 0.00 0.00 179.24 178.34 3i7l h LEU 1093N 0.54 -0.47 -0.42 1.55 7.12 -0.94 -2.12 115.31 120.57 3i7l h LEU 1093Ca 0.12 -0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.16 3i7l h LEU 1093Cb 0.40 0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 40.56 3i7l h LEU 1093CO 0.01 -0.23 -0.22 0.40 -0.13 0.00 0.00 178.44 178.28 3i7l h ILE 1094N -0.70 0.37 -0.82 4.05 5.03 -1.17 -1.14 117.51 123.12 3i7l h ILE 1094Ca -0.06 0.00 0.13 0.00 -0.12 0.00 0.00 64.86 64.81 3i7l h ILE 1094Cb 0.50 0.37 -0.06 0.00 -3.03 0.00 0.00 36.82 34.61 3i7l h ILE 1094CO 0.09 0.00 0.54 -0.33 -0.68 0.00 0.00 178.15 177.77 3i7l h GLU 1095N -0.14 0.63 0.00 2.37 5.08 -0.52 -1.80 114.58 120.20 3i7l h GLU 1095Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i7l h GLU 1095Cb 0.45 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3i7l h GLU 1095CO -0.51 0.41 0.00 -1.13 -1.00 0.00 0.00 179.01 176.79 3i7l n SER 1096N -4.52 0.00 0.30 1.42 3.41 -0.43 -2.29 113.62 111.51 3i7l n SER 1096Ca 0.15 -0.77 0.20 0.00 -0.26 0.00 0.00 58.87 58.19 3i7l n SER 1096Cb 0.43 0.00 0.92 0.00 -0.26 0.00 0.00 64.21 65.29 3i7l n SER 1096CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i7l h PHE 1097N 0.00 0.00 0.00 7.33 3.57 -1.41 -2.96 116.94 123.47 3i7l h PHE 1097Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i7l h PHE 1097Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3i7l h PHE 1097CO 0.00 0.00 -0.47 1.28 -2.23 0.00 0.00 178.31 176.89 3i7l n LEU 1098N -3.10 0.48 0.07 0.59 4.77 -0.97 -3.72 117.00 115.13 3i7l n LEU 1098Ca -0.01 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 3i7l n LEU 1098Cb 0.21 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 3i7l n LEU 1098CO 0.24 0.09 -0.17 0.47 -1.33 0.00 0.00 177.39 176.69 3i7l n ASP 1099N -1.58 0.67 -4.84 -1.43 10.43 -1.12 -4.95 116.55 113.73 3i7l n ASP 1099Ca 0.05 0.26 -0.30 0.00 2.57 0.00 0.00 54.79 57.37 3i7l n ASP 1099Cb 0.35 0.76 0.06 0.00 1.84 0.00 0.00 41.12 44.12 3i7l n ASP 1099CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 3i7l s ILE 1100N -3.37 3.66 0.56 0.53 -4.36 -1.24 -5.04 121.20 111.95 3i7l s ILE 1100Ca -0.02 0.54 -0.15 0.00 -0.26 0.00 0.00 60.65 60.76 3i7l s ILE 1100Cb 0.10 -3.40 -0.06 0.00 1.25 0.00 0.00 42.46 40.35 3i7l s ILE 1100CO 0.82 -0.71 1.01 -0.94 0.24 0.00 0.00 174.94 175.36 3i7l s SER 1101N -4.07 6.34 0.24 4.36 1.04 -1.26 -4.77 113.70 115.58 3i7l s SER 1101Ca 0.58 1.58 -0.06 0.00 0.48 0.00 0.00 55.95 58.53 3i7l s SER 1101Cb -0.13 -2.50 0.42 0.00 0.10 0.00 0.00 66.02 63.91 3i7l s SER 1101CO 0.54 -0.79 1.70 0.03 0.98 0.00 0.00 173.24 175.70 3i7l h ARG 1102N 0.47 0.31 -0.33 4.02 3.08 -1.96 0.15 114.38 120.13 3i7l h ARG 1102Ca -0.46 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.64 3i7l h ARG 1102Cb 1.19 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 31.10 3i7l h ARG 1102CO 0.61 0.20 -0.18 -1.00 -1.07 0.00 0.00 179.97 178.53 3i7l h PRO 1103N 0.32 -0.13 -0.07 0.04 0.13 -2.01 -2.43 132.00 127.85 3i7l h PRO 1103Ca 0.39 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.44 3i7l h PRO 1103Cb 0.63 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3i7l h PRO 1103CO -0.45 -0.09 -0.39 0.87 -0.23 0.00 0.00 178.00 177.71 3i7l h LYS 1104N -0.13 0.15 0.52 0.86 1.57 -1.29 -2.45 116.57 115.79 3i7l h LYS 1104Ca 0.17 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3i7l h LYS 1104Cb 0.39 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3i7l h LYS 1104CO -0.41 0.52 -0.47 0.52 -0.57 0.00 0.00 179.45 179.04 3i7l h MET 1105N 0.12 -0.95 -0.93 3.15 2.86 -0.69 -3.08 114.93 115.42 3i7l h MET 1105Ca 0.01 0.06 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 3i7l h MET 1105Cb 0.75 0.22 -0.10 0.00 0.06 0.00 0.00 31.60 32.52 3i7l h MET 1105CO 0.06 -0.63 0.52 1.96 1.06 0.00 0.00 176.91 179.87 3i7l h GLN 1106N -0.98 0.64 -1.35 1.72 1.08 -1.24 -0.97 115.11 114.02 3i7l h GLN 1106Ca -0.06 -0.04 0.41 0.00 -1.45 0.00 0.00 58.65 57.51 3i7l h GLN 1106Cb 0.84 -0.15 -0.10 0.00 -0.05 0.00 0.00 27.48 28.03 3i7l h GLN 1106CO -0.03 0.43 0.91 0.93 -0.95 0.00 0.00 178.83 180.11 3i7l h GLU 1107N 0.66 0.11 -2.20 1.46 5.08 -1.35 -2.58 114.58 115.76 3i7l h GLU 1107Ca 0.53 -0.01 -0.58 0.00 -1.00 0.00 0.00 59.36 58.31 3i7l h GLU 1107Cb 0.83 -0.03 -0.42 0.00 0.50 0.00 0.00 28.75 29.64 3i7l h GLU 1107CO -0.39 0.07 -0.72 0.28 -1.00 0.00 0.00 179.01 177.25 3i7l n VAL 1108N -4.45 2.20 0.00 3.13 0.31 -0.37 -4.51 118.33 114.65 3i7l n VAL 1108Ca 0.34 -5.24 0.00 0.00 -0.01 0.00 0.00 64.34 59.42 3i7l n VAL 1108Cb 1.38 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 3i7l n VAL 1108CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i7l n VAL 1109N 0.28 0.00 0.00 2.52 0.31 -0.97 -4.99 118.33 115.48 3i7l n VAL 1109Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.62 3i7l n VAL 1109Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3i7l n VAL 1109CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i7l n ALA 1110N -1.42 0.00 -3.17 3.52 0.00 -1.23 -4.75 120.51 113.46 3i7l n ALA 1110Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i7l n ALA 1110Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3i7l n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i7l s ASN 1111N 0.00 -0.25 0.39 0.00 2.20 -1.26 -4.93 114.94 111.08 3i7l s ASN 1111Ca 0.00 0.49 0.00 0.00 -0.94 0.00 0.00 52.86 52.41 3i7l s ASN 1111Cb 0.00 0.49 0.00 0.00 -2.00 0.00 0.00 41.25 39.74 3i7l s ASN 1111CO 0.00 -0.09 0.00 -2.11 -2.94 0.00 0.00 177.10 171.96 3i7l n ARG 1122N 3.05 -2.28 0.00 3.55 1.85 -1.26 -4.81 116.66 116.76 3i7l n ARG 1122Ca -0.14 1.83 0.00 0.00 -1.00 0.00 0.00 57.85 58.55 3i7l n ARG 1122Cb 0.58 -2.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.50 3i7l n ARG 1122CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3i7l n GLU 1123N -3.04 1.24 -3.15 2.89 1.02 -1.26 -5.17 120.64 113.17 3i7l n GLU 1123Ca -0.04 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.15 3i7l n GLU 1123Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.80 3i7l n GLU 1123CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i7l s ALA 1124N -2.00 -3.33 -0.01 0.62 0.00 -1.26 -5.15 121.76 110.63 3i7l s ALA 1124Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 51.96 53.28 3i7l s ALA 1124Cb 0.00 -2.51 0.02 0.00 0.00 0.00 0.00 23.12 20.63 3i7l s ALA 1124CO 0.00 -1.54 0.28 0.95 0.00 0.00 0.00 175.76 175.45 3i7l s THR 1125N 2.94 0.06 -0.06 0.00 -4.23 -1.26 -4.84 115.64 108.25 3i7l s THR 1125Ca 0.06 -0.53 -0.15 0.00 -1.18 0.00 0.00 61.69 59.89 3i7l s THR 1125Cb -0.10 -0.62 -0.10 0.00 1.34 0.00 0.00 72.50 73.02 3i7l s THR 1125CO -0.14 -0.29 0.58 0.00 -0.54 0.00 0.00 174.62 174.22 3i7l h ALA 1126N 3.85 -0.26 -1.20 3.99 0.00 -1.95 -1.94 119.26 121.75 3i7l h ALA 1126Ca -0.30 -0.16 0.44 0.00 0.00 0.00 0.00 54.91 54.89 3i7l h ALA 1126Cb 1.18 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 3i7l h ALA 1126CO 0.41 -0.28 0.74 -0.25 0.00 0.00 0.00 179.25 179.87 3i7l n ASP 1127N -4.94 0.25 -0.12 0.00 10.43 -1.26 0.11 116.55 121.02 3i7l n ASP 1127Ca -0.06 1.42 -0.13 0.00 2.57 0.00 0.00 54.79 58.60 3i7l n ASP 1127Cb 0.20 -0.70 -0.02 0.00 1.84 0.00 0.00 41.12 42.44 3i7l n ASP 1127CO 0.00 0.00 0.00 -0.78 -1.07 0.00 0.00 177.20 175.35 3i7l h ASP 1128N 0.00 0.90 -0.25 -2.24 -0.00 -1.96 -3.13 116.42 109.75 3i7l h ASP 1128Ca 0.84 -0.45 -0.10 0.00 -0.00 0.00 0.00 57.03 57.32 3i7l h ASP 1128Cb 2.54 -0.25 -0.00 0.00 -0.00 0.00 0.00 39.33 41.62 3i7l h ASP 1128CO -0.55 1.16 -0.24 -0.07 -0.00 0.00 0.00 179.24 179.54 3i7l h LEU 1129N 0.66 0.65 -2.45 2.28 3.38 0.16 -2.74 115.31 117.25 3i7l h LEU 1129Ca 0.07 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3i7l h LEU 1129Cb 0.87 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3i7l h LEU 1129CO 0.08 0.99 0.00 -0.29 0.09 0.00 0.00 178.44 179.30 3i7l h ILE 1130N 0.33 0.00 0.11 1.22 2.10 -1.21 -0.32 117.51 119.73 3i7l h ILE 1130Ca 0.04 -0.07 -0.01 0.00 1.08 0.00 0.00 64.86 65.91 3i7l h ILE 1130Cb 0.80 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3i7l h ILE 1130CO 0.06 0.00 -0.05 0.50 -1.08 0.00 0.00 178.15 177.58 3i7l h LYS 1131N 0.00 -0.14 -0.91 2.19 3.64 -1.42 -1.72 116.57 118.20 3i7l h LYS 1131Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i7l h LYS 1131Cb 0.07 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 3i7l h LYS 1131CO 0.00 0.29 0.56 0.28 -2.27 0.00 0.00 179.45 178.32 3i7l h VAL 1132N -0.62 1.25 -0.08 2.00 2.07 -1.28 -1.16 116.25 118.42 3i7l h VAL 1132Ca -0.01 -0.52 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 3i7l h VAL 1132Cb 0.49 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3i7l h VAL 1132CO 0.02 0.25 -0.58 0.58 0.02 0.00 0.00 177.57 177.87 3i7l h VAL 1133N 1.26 1.36 -0.63 2.57 2.07 -1.16 -2.03 116.25 119.70 3i7l h VAL 1133Ca 0.33 -1.91 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3i7l h VAL 1133Cb -0.08 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 3i7l h VAL 1133CO -0.06 0.58 0.42 -0.33 0.02 0.00 0.00 177.57 178.19 3i7l h GLU 1134N 0.14 0.49 -0.01 1.57 5.08 -1.18 0.81 114.58 121.48 3i7l h GLU 1134Ca -0.05 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 3i7l h GLU 1134Cb 1.24 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3i7l h GLU 1134CO 0.12 0.33 -0.67 1.49 -1.00 0.00 0.00 179.01 179.27 3i7l h GLU 1135N 0.51 0.04 0.01 2.33 4.22 -1.12 -3.18 114.58 117.39 3i7l h GLU 1135Ca 0.28 -0.04 -0.21 0.00 0.08 0.00 0.00 59.36 59.48 3i7l h GLU 1135Cb 0.45 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3i7l h GLU 1135CO -0.09 0.70 -0.91 -0.07 -2.18 0.00 0.00 179.01 176.46 3i7l h LEU 1136N 0.03 0.32 -2.63 1.64 3.38 -0.33 -3.31 115.31 114.40 3i7l h LEU 1136Ca -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i7l h LEU 1136Cb 1.19 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3i7l h LEU 1136CO 0.09 1.08 -0.01 0.71 0.09 0.00 0.00 178.44 180.39 3i7l h THR 1137N 0.13 0.22 -0.62 0.22 1.35 -0.89 -2.55 112.91 110.77 3i7l h THR 1137Ca -0.06 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 3i7l h THR 1137Cb 1.55 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3i7l h THR 1137CO 0.14 0.01 0.00 0.54 -0.25 0.00 0.00 175.52 175.97 3i7l n ARG 1138N -3.37 4.09 0.15 4.72 1.74 -1.25 -3.58 116.66 119.17 3i7l n ARG 1138Ca -0.03 -2.92 0.02 0.00 -0.77 0.00 0.00 57.85 54.15 3i7l n ARG 1138Cb 0.10 -2.02 0.19 0.00 -1.02 0.00 0.00 32.46 29.71 3i7l n ARG 1138CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3i7l h ILE 1139N 4.02 1.12 0.00 0.55 2.04 -1.66 -3.48 117.51 120.10 3i7l h ILE 1139Ca 0.00 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.84 3i7l h ILE 1139Cb 1.62 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 3i7l h ILE 1139CO 0.32 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.99