#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7h s LEU 10 N 0.00 4.16 0.68 0.99 2.96 -1.26 -5.02 118.68 121.19 3a7h s LEU 10 Ca 0.00 0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 54.12 3a7h s LEU 10 Cb 0.00 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.80 3a7h s LEU 10 CO 0.00 -0.60 1.22 -2.16 -1.32 0.00 0.00 176.35 173.49 3a7h s PRO 11 N 2.82 2.45 0.00 0.98 0.04 -1.26 -2.48 135.00 137.54 3a7h s PRO 11 Ca 0.28 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3a7h s PRO 11 Cb -0.14 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3a7h s PRO 11 CO 0.14 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.98 3a7h n GLY 12 N 0.48 0.95 3.69 0.56 0.00 -1.26 -4.65 105.19 104.96 3a7h n GLY 12 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3a7h n GLY 12 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3a7h s MET 13 N -0.26 4.21 0.01 1.61 1.75 -1.04 -1.61 119.30 123.98 3a7h s MET 13 Ca 0.00 2.30 -0.01 0.00 -1.25 0.00 0.00 55.69 56.73 3a7h s MET 13 Cb 0.00 -3.54 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 3a7h s MET 13 CO 0.00 -0.70 0.17 -0.65 -0.65 0.00 0.00 175.02 173.19 3a7h s GLN 14 N 2.42 3.36 0.97 4.11 -1.52 0.87 -4.91 119.66 124.96 3a7h s GLN 14 Ca 0.72 -0.40 -0.11 0.00 -1.95 0.00 0.00 55.36 53.63 3a7h s GLN 14 Cb -0.39 -3.03 0.17 0.00 -0.22 0.00 0.00 33.01 29.54 3a7h s GLN 14 CO 0.32 0.65 1.09 0.27 -0.25 0.00 0.00 175.29 177.36 3a7h n ASN 15 N 0.77 -0.16 0.27 5.90 0.23 -1.26 -4.19 115.26 116.82 3a7h n ASN 15 Ca -0.09 0.30 0.18 0.00 -0.53 0.00 0.00 54.58 54.44 3a7h n ASN 15 Cb 0.52 -1.42 0.95 0.00 -2.08 0.00 0.00 39.78 37.75 3a7h n ASN 15 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3a7h h LEU 16 N -2.05 0.00 -1.54 -4.53 3.38 -1.99 -2.02 115.31 106.57 3a7h h LEU 16 Ca -0.47 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.59 3a7h h LEU 16 Cb 1.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.99 3a7h h LEU 16 CO 0.42 0.00 0.43 0.50 0.09 0.00 0.00 178.44 179.88 3a7h h LYS 17 N 0.00 0.52 -5.94 1.13 1.63 -1.91 -3.35 116.57 108.65 3a7h h LYS 17 Ca 0.00 -0.03 -0.59 0.00 -0.85 0.00 0.00 60.65 59.17 3a7h h LYS 17 Cb 0.08 -0.12 -0.11 0.00 -0.60 0.00 0.00 32.23 31.48 3a7h h LYS 17 CO 0.00 0.34 0.71 0.00 -3.45 0.00 0.00 179.45 177.05 3a7h s ALA 18 N -5.49 3.05 -0.44 5.00 0.00 -0.76 -4.98 121.76 118.14 3a7h s ALA 18 Ca -0.08 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 3a7h s ALA 18 Cb 0.20 -3.91 0.03 0.00 0.00 0.00 0.00 23.12 19.44 3a7h s ALA 18 CO 0.76 -2.69 1.13 0.34 0.00 0.00 0.00 175.76 175.29 3a7h s ASP 19 N 3.25 6.70 0.52 0.00 3.68 -1.26 -4.59 116.67 124.96 3a7h s ASP 19 Ca 0.31 0.60 0.27 0.00 2.13 0.00 0.00 52.55 55.86 3a7h s ASP 19 Cb -0.12 -2.55 1.40 0.00 -1.45 0.00 0.00 42.92 40.20 3a7h s ASP 19 CO 0.17 -1.17 2.05 1.55 0.13 0.00 0.00 175.17 177.89 3a7h h PRO 20 N 8.99 0.00 0.00 4.34 0.13 -1.92 -0.95 132.00 142.59 3a7h h PRO 20 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3a7h h PRO 20 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3a7h h PRO 20 CO 1.11 0.13 0.00 0.39 -0.23 0.00 0.00 178.00 179.40 3a7h n GLU 21 N -3.61 0.16 -0.01 0.86 1.02 -1.26 -1.35 120.64 116.45 3a7h n GLU 21 Ca -0.02 0.35 0.05 0.00 -0.02 0.00 0.00 57.16 57.53 3a7h n GLU 21 Cb 0.26 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 29.78 3a7h n GLU 21 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3a7h n GLU 22 N -2.09 0.59 0.08 3.49 1.02 -0.45 -4.48 120.64 118.81 3a7h n GLU 22 Ca 0.03 -0.11 0.08 0.00 -0.02 0.00 0.00 57.16 57.14 3a7h n GLU 22 Cb 0.25 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 3a7h n GLU 22 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3a7h n LEU 23 N -2.03 0.82 -4.19 -4.62 4.77 -0.69 -4.90 117.00 106.17 3a7h n LEU 23 Ca -0.05 0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 56.02 3a7h n LEU 23 Cb 0.42 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 3a7h n LEU 23 CO 0.28 -0.08 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.40 3a7h s PHE 24 N -3.23 1.63 -0.22 -1.77 0.08 -0.46 -1.54 117.98 112.48 3a7h s PHE 24 Ca -0.02 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.67 3a7h s PHE 24 Cb 0.09 -1.03 -0.01 0.00 -0.57 0.00 0.00 43.02 41.50 3a7h s PHE 24 CO 0.80 -0.00 -0.03 0.99 -0.10 0.00 0.00 175.22 176.88 3a7h s THR 25 N -0.52 3.52 0.01 0.64 2.01 -0.57 -4.63 115.64 116.11 3a7h s THR 25 Ca 0.07 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 3a7h s THR 25 Cb -0.07 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 3a7h s THR 25 CO -0.00 0.41 0.97 -0.54 -0.69 0.00 0.00 174.62 174.77 3a7h s LYS 26 N 1.47 4.57 -0.23 4.92 1.02 -1.26 -1.12 119.74 129.11 3a7h s LYS 26 Ca 0.06 1.40 -0.09 0.00 0.02 0.00 0.00 55.97 57.36 3a7h s LYS 26 Cb -0.14 -3.45 -0.18 0.00 -0.52 0.00 0.00 37.83 33.54 3a7h s LYS 26 CO -0.02 -0.01 -0.08 1.28 -0.92 0.00 0.00 175.35 175.60 3a7h n LEU 27 N 3.73 2.41 -3.56 3.17 4.77 0.14 -4.97 117.00 122.70 3a7h n LEU 27 Ca 0.05 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 3a7h n LEU 27 Cb 0.51 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 3a7h n LEU 27 CO 0.52 0.70 0.60 -1.83 -1.33 0.00 0.00 177.39 176.05 3a7h s GLU 28 N -2.50 0.81 -0.04 3.23 -1.05 -1.16 -5.01 118.70 112.98 3a7h s GLU 28 Ca -0.33 0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 54.48 3a7h s GLU 28 Cb 0.10 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.13 3a7h s GLU 28 CO 0.60 -0.23 1.32 0.21 0.95 0.00 0.00 175.26 178.10 3a7h s LYS 29 N -0.94 4.30 0.00 -4.83 2.20 -1.26 -1.29 119.74 117.91 3a7h s LYS 29 Ca -0.05 1.82 0.04 0.00 -0.36 0.00 0.00 55.97 57.42 3a7h s LYS 29 Cb -0.01 -3.61 0.11 0.00 -1.51 0.00 0.00 37.83 32.81 3a7h s LYS 29 CO 0.05 -0.55 1.05 0.44 -0.36 0.00 0.00 175.35 175.97 3a7h n ILE 30 N 4.77 0.89 0.00 5.43 -5.35 0.27 -4.91 119.36 120.45 3a7h n ILE 30 Ca 0.13 -0.94 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3a7h n ILE 30 Cb 0.45 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 3a7h n ILE 30 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a7h n GLY 31 N -0.07 1.37 2.62 3.28 0.00 -0.85 -4.93 105.19 106.60 3a7h n GLY 31 Ca 0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 3a7h n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a7h s LYS 32 N -2.00 0.53 0.00 1.61 1.02 -1.26 -0.26 119.74 119.38 3a7h s LYS 32 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.04 3a7h s LYS 32 Cb 0.00 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 3a7h s LYS 32 CO 0.00 -1.17 0.00 0.41 -0.92 0.00 0.00 175.35 173.67 3a7h n GLY 33 N 4.35 0.74 0.06 -3.33 0.00 -1.22 -5.01 105.19 100.78 3a7h n GLY 33 Ca 0.09 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 3a7h n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a7h h SER 34 N 0.00 0.00 -0.24 1.61 0.02 -2.02 -3.40 113.55 109.51 3a7h h SER 34 Ca 0.00 -0.21 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 3a7h h SER 34 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3a7h h SER 34 CO 0.00 0.65 -0.05 -0.26 -1.14 0.00 0.00 176.83 176.03 3a7h h PHE 35 N -1.00 -0.11 0.00 3.45 0.05 -1.97 -3.49 116.94 113.87 3a7h h PHE 35 Ca -0.01 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.80 3a7h h PHE 35 Cb 0.28 0.09 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3a7h h PHE 35 CO 0.04 -0.09 0.00 0.41 -0.18 0.00 0.00 178.31 178.48 3a7h n GLY 36 N -1.22 2.30 3.12 -1.45 0.00 -1.26 -4.47 105.19 102.21 3a7h n GLY 36 Ca -0.02 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3a7h n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7h s GLU 37 N 3.73 0.68 -0.10 1.61 2.02 -0.80 -3.43 118.70 122.41 3a7h s GLU 37 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3a7h s GLU 37 Cb 0.00 -0.53 -0.01 0.00 0.10 0.00 0.00 34.13 33.69 3a7h s GLU 37 CO 0.00 0.11 -0.21 0.08 0.02 0.00 0.00 175.26 175.25 3a7h s VAL 38 N -1.48 2.33 0.23 2.63 1.01 0.65 -1.13 120.40 124.64 3a7h s VAL 38 Ca -0.05 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.10 3a7h s VAL 38 Cb -0.09 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3a7h s VAL 38 CO 0.01 0.55 -0.19 -0.36 0.00 0.00 0.00 175.10 175.11 3a7h s PHE 39 N 0.23 2.08 -0.16 5.22 0.40 0.21 0.96 117.98 126.91 3a7h s PHE 39 Ca -0.14 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 55.68 3a7h s PHE 39 Cb -0.17 -0.95 -0.05 0.00 0.51 0.00 0.00 43.02 42.37 3a7h s PHE 39 CO 0.07 0.54 0.16 0.21 0.70 0.00 0.00 175.22 176.90 3a7h s LYS 40 N -3.30 3.94 0.14 0.44 2.20 -0.41 0.73 119.74 123.47 3a7h s LYS 40 Ca 0.25 -0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.71 3a7h s LYS 40 Cb -0.05 -3.34 0.01 0.00 -1.51 0.00 0.00 37.83 32.94 3a7h s LYS 40 CO 0.11 0.47 0.21 0.41 -0.36 0.00 0.00 175.35 176.19 3a7h n GLY 41 N 2.93 2.55 3.15 5.54 0.00 -0.32 0.25 105.19 119.29 3a7h n GLY 41 Ca -0.17 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 3a7h n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a7h s ILE 42 N -2.59 1.47 -0.50 -0.61 -1.09 -0.28 -0.79 121.20 116.80 3a7h s ILE 42 Ca 0.11 -0.74 -0.25 0.00 -2.23 0.00 0.00 60.65 57.53 3a7h s ILE 42 Cb -0.01 -1.26 0.03 0.00 -1.58 0.00 0.00 42.46 39.65 3a7h s ILE 42 CO 0.08 0.42 0.94 -0.62 -1.23 0.00 0.00 174.94 174.52 3a7h s ASP 43 N -0.02 6.43 0.53 3.58 -1.08 -0.27 -1.50 116.67 124.34 3a7h s ASP 43 Ca -0.03 -0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.13 3a7h s ASP 43 Cb -0.11 -2.45 1.37 0.00 -1.46 0.00 0.00 42.92 40.27 3a7h s ASP 43 CO 0.02 -1.13 2.15 0.78 0.52 0.00 0.00 175.17 177.51 3a7h h ASN 44 N 9.18 0.00 -0.32 -0.34 2.35 -1.60 0.53 115.58 125.38 3a7h h ASN 44 Ca -0.25 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.40 3a7h h ASN 44 Cb 1.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 3a7h h ASN 44 CO 1.05 0.03 -0.15 -0.09 -1.65 0.00 0.00 177.43 176.62 3a7h h ARG 45 N 0.00 0.77 -0.02 0.81 2.43 -1.90 -3.30 114.38 113.17 3a7h h ARG 45 Ca -0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3a7h h ARG 45 Cb 0.05 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3a7h h ARG 45 CO 0.00 0.88 0.00 0.25 -1.51 0.00 0.00 179.97 179.59 3a7h n THR 46 N -4.15 0.19 -4.01 0.20 -2.24 -1.05 -5.02 114.28 98.20 3a7h n THR 46 Ca 0.01 -0.59 -0.28 0.00 -2.27 0.00 0.00 64.05 60.92 3a7h n THR 46 Cb 0.39 0.96 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 3a7h n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7h n GLN 47 N 0.09 -3.29 -5.16 -0.78 1.13 0.18 -4.97 117.38 104.58 3a7h n GLN 47 Ca 0.02 0.40 -0.32 0.00 -1.94 0.00 0.00 57.00 55.16 3a7h n GLN 47 Cb 0.12 -4.64 -0.15 0.00 0.11 0.00 0.00 30.24 25.67 3a7h n GLN 47 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3a7h s LYS 48 N -6.65 2.39 0.34 -1.09 2.47 -1.17 -4.92 119.74 111.11 3a7h s LYS 48 Ca 0.16 -0.85 -0.27 0.00 -1.56 0.00 0.00 55.97 53.45 3a7h s LYS 48 Cb -0.09 -2.19 -0.09 0.00 -1.46 0.00 0.00 37.83 34.00 3a7h s LYS 48 CO 0.90 0.52 1.15 0.08 0.16 0.00 0.00 175.35 178.15 3a7h s VAL 49 N -0.48 3.29 0.15 4.02 1.01 -1.26 -1.11 120.40 126.01 3a7h s VAL 49 Ca 0.06 1.18 -0.02 0.00 0.00 0.00 0.00 61.98 63.20 3a7h s VAL 49 Cb -0.11 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 3a7h s VAL 49 CO 0.01 0.19 0.11 0.68 0.00 0.00 0.00 175.10 176.09 3a7h s VAL 50 N -1.31 0.07 -0.14 2.92 -7.23 0.03 -4.43 120.40 110.31 3a7h s VAL 50 Ca 0.51 -1.85 -0.07 0.00 -1.81 0.00 0.00 61.98 58.76 3a7h s VAL 50 Cb -0.31 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 3a7h s VAL 50 CO 0.40 -0.34 0.10 0.00 -0.31 0.00 0.00 175.10 174.95 3a7h s ALA 51 N -4.06 3.66 -0.20 1.32 0.00 0.80 -1.18 121.76 122.10 3a7h s ALA 51 Ca 0.26 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.54 3a7h s ALA 51 Cb 0.07 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.31 3a7h s ALA 51 CO 0.04 0.47 -0.17 0.42 0.00 0.00 0.00 175.76 176.52 3a7h s ILE 52 N -0.54 2.05 -0.23 0.00 1.01 0.22 -1.22 121.20 122.50 3a7h s ILE 52 Ca 0.12 -1.14 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 3a7h s ILE 52 Cb -0.12 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3a7h s ILE 52 CO 0.02 0.35 0.08 -0.75 0.00 0.00 0.00 174.94 174.63 3a7h s LYS 53 N 1.25 3.78 -0.18 2.79 2.20 0.17 0.65 119.74 130.40 3a7h s LYS 53 Ca 0.00 -0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 3a7h s LYS 53 Cb -0.15 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3a7h s LYS 53 CO -0.10 -0.03 -0.10 0.42 -0.36 0.00 0.00 175.35 175.18 3a7h s ILE 54 N 1.21 3.10 -0.01 5.43 1.01 -0.28 0.96 121.20 132.62 3a7h s ILE 54 Ca 0.05 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.14 3a7h s ILE 54 Cb -0.14 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 3a7h s ILE 54 CO 0.04 0.48 -0.18 -0.63 0.00 0.00 0.00 174.94 174.65 3a7h s ILE 55 N 0.94 1.40 -0.33 2.92 1.01 0.41 -1.91 121.20 125.64 3a7h s ILE 55 Ca -0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.65 3a7h s ILE 55 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.16 3a7h s ILE 55 CO -0.00 0.40 0.71 -0.62 0.00 0.00 0.00 174.94 175.43 3a7h s ASP 56 N -0.42 6.53 0.54 3.58 -1.08 -1.26 -0.36 116.67 124.20 3a7h s ASP 56 Ca 0.07 0.39 0.32 0.00 -0.52 0.00 0.00 52.55 52.81 3a7h s ASP 56 Cb -0.07 -2.37 1.41 0.00 -1.46 0.00 0.00 42.92 40.43 3a7h s ASP 56 CO -0.01 -0.61 2.01 -0.07 0.52 0.00 0.00 175.17 177.01 3a7h h LEU 57 N 9.45 0.00 0.00 -1.34 3.38 -0.07 -3.00 115.31 123.73 3a7h h LEU 57 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3a7h h LEU 57 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a7h h LEU 57 CO 0.86 0.07 -0.15 -0.08 0.09 0.00 0.00 178.44 179.23 3a7h h GLU 58 N 0.00 0.00 0.00 1.13 4.81 -1.92 -3.34 114.58 115.26 3a7h h GLU 58 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3a7h h GLU 58 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3a7h h GLU 58 CO 0.01 0.93 0.00 0.39 -0.73 0.00 0.00 179.01 179.61 3a7h n GLU 59 N -4.60 0.42 -4.06 1.92 1.02 -1.14 -4.77 120.64 109.43 3a7h n GLU 59 Ca -0.12 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.92 3a7h n GLU 59 Cb 0.47 -1.02 -0.07 0.00 -0.02 0.00 0.00 31.44 30.80 3a7h n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a7h s ALA 60 N -2.00 0.32 0.00 0.62 0.00 -1.18 -4.99 121.76 114.53 3a7h s ALA 60 Ca 0.01 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3a7h s ALA 60 Cb 0.00 1.10 0.00 0.00 0.00 0.00 0.00 23.12 24.22 3a7h s ALA 60 CO 0.01 -0.69 0.00 0.39 0.00 0.00 0.00 175.76 175.46 3a7h n GLU 61 N -0.28 0.00 0.00 0.00 1.02 -1.26 -4.90 120.64 115.21 3a7h n GLU 61 Ca -0.02 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.14 3a7h n GLU 61 Cb 0.64 0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.17 3a7h n GLU 61 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3a7h n ASP 62 N -0.61 0.00 -0.04 1.62 10.43 -1.26 -0.63 116.55 126.06 3a7h n ASP 62 Ca 0.00 0.44 0.13 0.00 2.57 0.00 0.00 54.79 57.93 3a7h n ASP 62 Cb 0.00 -0.46 0.47 0.00 1.84 0.00 0.00 41.12 42.98 3a7h n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3a7h n GLU 63 N -1.46 0.20 0.03 -1.24 4.71 -1.26 -3.71 120.64 117.91 3a7h n GLU 63 Ca 0.02 -0.07 -0.15 0.00 -0.01 0.00 0.00 57.16 56.94 3a7h n GLU 63 Cb 0.06 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 28.94 3a7h n GLU 63 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3a7h h ILE 64 N 0.18 1.33 -0.55 -3.67 2.04 -1.23 -2.59 117.51 113.03 3a7h h ILE 64 Ca 0.00 -2.18 0.08 0.00 1.00 0.00 0.00 64.86 63.76 3a7h h ILE 64 Cb 0.46 2.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.67 3a7h h ILE 64 CO 0.00 0.67 0.20 -0.33 0.00 0.00 0.00 178.15 178.69 3a7h h GLU 65 N 0.37 0.37 -0.39 2.37 4.39 -1.72 -0.67 114.58 119.30 3a7h h GLU 65 Ca -0.07 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 3a7h h GLU 65 Cb 1.48 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3a7h h GLU 65 CO 0.16 0.25 -0.21 -0.44 -1.16 0.00 0.00 179.01 177.61 3a7h h ASP 66 N 0.38 0.78 -0.07 1.42 3.32 -1.73 0.14 116.42 120.66 3a7h h ASP 66 Ca 0.27 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3a7h h ASP 66 Cb 0.31 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a7h h ASP 66 CO -0.27 0.97 0.01 0.40 -1.72 0.00 0.00 179.24 178.63 3a7h h ILE 67 N 0.67 1.22 -0.73 0.35 2.04 -1.04 -0.13 117.51 119.90 3a7h h ILE 67 Ca 0.10 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 3a7h h ILE 67 Cb 0.72 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 3a7h h ILE 67 CO 0.06 0.19 0.37 -0.61 0.00 0.00 0.00 178.15 178.16 3a7h h GLN 68 N -0.14 1.04 -0.35 2.37 5.75 -0.97 -0.87 115.11 121.95 3a7h h GLN 68 Ca 0.02 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3a7h h GLN 68 Cb 0.29 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3a7h h GLN 68 CO 0.00 0.80 0.15 0.37 -2.65 0.00 0.00 178.83 177.50 3a7h h GLN 69 N 1.02 0.51 -0.72 1.69 5.75 -0.86 0.09 115.11 122.58 3a7h h GLN 69 Ca 0.25 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3a7h h GLN 69 Cb 0.09 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3a7h h GLN 69 CO -0.04 0.49 0.45 1.49 -2.65 0.00 0.00 178.83 178.58 3a7h h GLU 70 N 0.41 0.97 -0.10 1.69 4.81 -0.49 -1.51 114.58 120.36 3a7h h GLU 70 Ca 0.12 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.14 3a7h h GLU 70 Cb 0.16 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3a7h h GLU 70 CO -0.01 0.67 -0.50 0.82 -0.73 0.00 0.00 179.01 179.26 3a7h h ILE 71 N 0.98 1.35 -0.38 2.32 2.04 -0.98 -1.79 117.51 121.04 3a7h h ILE 71 Ca 0.26 -1.74 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 3a7h h ILE 71 Cb -0.06 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3a7h h ILE 71 CO -0.05 0.52 0.09 0.74 0.00 0.00 0.00 178.15 179.45 3a7h h THR 72 N 0.21 1.23 -0.18 -0.27 2.02 -0.16 -1.74 112.91 114.02 3a7h h THR 72 Ca 0.01 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 3a7h h THR 72 Cb 0.96 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3a7h h THR 72 CO 0.08 0.27 0.00 0.58 0.37 0.00 0.00 175.52 176.82 3a7h h VAL 73 N 0.48 1.25 -0.31 3.16 2.07 -1.26 -2.75 116.25 118.88 3a7h h VAL 73 Ca 0.12 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3a7h h VAL 73 Cb 0.32 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3a7h h VAL 73 CO 0.00 0.26 0.21 -0.07 0.02 0.00 0.00 177.57 177.99 3a7h h LEU 74 N 0.08 0.29 -0.65 2.57 3.38 -1.24 -0.16 115.31 119.58 3a7h h LEU 74 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a7h h LEU 74 Cb 0.38 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3a7h h LEU 74 CO 0.01 0.21 0.00 0.77 0.09 0.00 0.00 178.44 179.51 3a7h h SER 75 N 0.34 0.00 -0.02 -0.43 4.64 -1.02 -2.89 113.55 114.17 3a7h h SER 75 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3a7h h SER 75 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3a7h h SER 75 CO -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.92 3a7h n GLN 76 N -2.45 2.00 -4.07 4.77 6.02 -0.08 -4.91 117.38 118.65 3a7h n GLN 76 Ca 0.03 -1.47 -0.36 0.00 -0.01 0.00 0.00 57.00 55.18 3a7h n GLN 76 Cb 0.30 -1.47 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 3a7h n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a7h s ASP 78 N -0.78 3.30 -0.20 0.00 2.15 -1.26 -4.94 116.67 114.95 3a7h s ASP 78 Ca 0.13 -1.95 -0.22 0.00 0.43 0.00 0.00 52.55 50.93 3a7h s ASP 78 Cb -0.12 -0.51 0.06 0.00 -0.30 0.00 0.00 42.92 42.06 3a7h s ASP 78 CO 0.03 -0.35 0.61 -0.55 -0.17 0.00 0.00 175.17 174.74 3a7h s SER 79 N 1.30 -0.62 0.00 -0.34 0.15 -1.26 -5.00 113.70 107.93 3a7h s SER 79 Ca 0.15 1.11 0.21 0.00 0.70 0.00 0.00 55.95 58.12 3a7h s SER 79 Cb -0.21 1.12 1.23 0.00 -1.71 0.00 0.00 66.02 66.45 3a7h s SER 79 CO -0.11 -0.28 1.63 -0.81 1.20 0.00 0.00 173.24 174.86 3a7h n PRO 80 N 2.41 0.63 0.00 5.44 -0.04 -1.26 -2.34 135.00 139.84 3a7h n PRO 80 Ca -0.15 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.43 3a7h n PRO 80 Cb 0.56 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.61 3a7h n PRO 80 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a7h n TYR 81 N -1.01 0.00 -4.92 0.54 4.01 -1.26 -4.85 117.16 109.66 3a7h n TYR 81 Ca 0.15 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.58 3a7h n TYR 81 Cb 0.08 -0.12 -0.17 0.00 -0.31 0.00 0.00 39.34 38.82 3a7h n TYR 81 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3a7h s VAL 82 N -2.92 1.95 0.00 -0.72 1.01 -0.99 -0.68 120.40 118.06 3a7h s VAL 82 Ca 0.12 -0.94 -0.37 0.00 0.00 0.00 0.00 61.98 60.78 3a7h s VAL 82 Cb 0.17 -1.71 -0.16 0.00 0.00 0.00 0.00 36.38 34.68 3a7h s VAL 82 CO 0.74 0.53 1.47 0.35 0.00 0.00 0.00 175.10 178.20 3a7h n THR 83 N 3.79 0.09 -2.55 3.92 -2.24 -0.91 -4.61 114.28 111.76 3a7h n THR 83 Ca -0.20 -0.02 -0.36 0.00 -2.27 0.00 0.00 64.05 61.21 3a7h n THR 83 Cb 0.52 -1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 3a7h n THR 83 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a7h s LYS 84 N 1.35 4.10 -0.14 -0.78 1.02 -1.26 -4.91 119.74 119.12 3a7h s LYS 84 Ca 0.87 1.48 0.00 0.00 0.02 0.00 0.00 55.97 58.35 3a7h s LYS 84 Cb -0.95 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 33.90 3a7h s LYS 84 CO 0.51 -0.19 -0.15 -0.47 -0.92 0.00 0.00 175.35 174.12 3a7h s TYR 85 N -1.73 2.77 -1.81 3.18 6.14 -1.26 -1.37 117.35 123.28 3a7h s TYR 85 Ca 0.60 -0.87 0.16 0.00 0.64 0.00 0.00 57.07 57.60 3a7h s TYR 85 Cb -0.21 -1.85 0.09 0.00 0.42 0.00 0.00 41.96 40.41 3a7h s TYR 85 CO 0.26 -0.35 0.95 0.66 0.64 0.00 0.00 175.55 177.70 3a7h n TYR 86 N 3.78 0.00 0.00 4.97 4.02 0.11 -4.94 117.16 125.10 3a7h n TYR 86 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 3a7h n TYR 86 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 3a7h n TYR 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3a7h n GLY 87 N 0.96 2.58 3.20 2.72 0.00 -1.23 -4.94 105.19 108.48 3a7h n GLY 87 Ca 0.08 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.90 3a7h n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a7h s SER 88 N 0.00 1.91 0.07 1.61 0.01 -0.63 -1.22 113.70 115.45 3a7h s SER 88 Ca 0.00 -0.65 0.04 0.00 1.31 0.00 0.00 55.95 56.65 3a7h s SER 88 Cb 0.00 -0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.13 3a7h s SER 88 CO 0.00 -0.05 -0.11 -0.31 0.41 0.00 0.00 173.24 173.18 3a7h s TYR 89 N -1.34 1.01 -0.10 2.43 2.02 -0.04 -0.09 117.35 121.23 3a7h s TYR 89 Ca 0.01 -0.55 0.02 0.00 -0.37 0.00 0.00 57.07 56.18 3a7h s TYR 89 Cb -0.09 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.89 3a7h s TYR 89 CO 0.03 -0.00 -0.17 -1.17 -1.57 0.00 0.00 175.55 172.66 3a7h s LEU 90 N -1.98 2.51 -0.29 -1.29 2.96 -1.26 -0.67 118.68 118.66 3a7h s LEU 90 Ca -0.01 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3a7h s LEU 90 Cb -0.07 -1.53 0.10 0.00 0.50 0.00 0.00 46.19 45.19 3a7h s LEU 90 CO 0.01 0.21 0.12 -0.75 -1.32 0.00 0.00 176.35 174.61 3a7h s LYS 91 N 0.09 0.39 5.71 1.98 2.47 0.73 -4.70 119.74 126.41 3a7h s LYS 91 Ca -0.08 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.62 3a7h s LYS 91 Cb -0.15 -1.49 0.00 0.00 -1.46 0.00 0.00 37.83 34.73 3a7h s LYS 91 CO 0.05 -0.99 0.00 -0.25 0.16 0.00 0.00 175.35 174.32 3a7h n ASP 92 N 5.10 0.00 -1.26 1.43 8.00 -1.26 -0.37 116.55 128.19 3a7h n ASP 92 Ca -0.05 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.55 3a7h n ASP 92 Cb 0.42 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.82 3a7h n ASP 92 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a7h n THR 93 N 0.00 1.46 -3.82 -3.53 -2.24 -1.26 -4.94 114.28 99.96 3a7h n THR 93 Ca 0.00 -1.16 -0.35 0.00 -2.27 0.00 0.00 64.05 60.27 3a7h n THR 93 Cb 0.00 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.42 3a7h n THR 93 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3a7h s LYS 94 N -1.51 4.02 -0.24 -0.78 -0.14 0.50 0.71 119.74 122.30 3a7h s LYS 94 Ca 0.44 -0.31 -0.16 0.00 -1.36 0.00 0.00 55.97 54.58 3a7h s LYS 94 Cb 0.26 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 3a7h s LYS 94 CO 0.24 0.16 0.41 -1.17 -0.76 0.00 0.00 175.35 174.23 3a7h s LEU 95 N 0.72 4.10 -0.31 3.17 2.96 0.52 -0.19 118.68 129.64 3a7h s LEU 95 Ca 0.06 0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 54.31 3a7h s LEU 95 Cb -0.13 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3a7h s LEU 95 CO 0.02 -0.15 0.15 0.26 -1.32 0.00 0.00 176.35 175.30 3a7h s TRP 96 N 1.75 3.17 -0.26 5.38 0.52 0.16 -0.44 118.94 129.22 3a7h s TRP 96 Ca 0.18 -0.55 -0.09 0.00 0.02 0.00 0.00 56.10 55.67 3a7h s TRP 96 Cb -0.15 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 3a7h s TRP 96 CO 0.09 -0.44 0.11 0.42 0.02 0.00 0.00 176.95 177.14 3a7h s ILE 97 N 1.62 4.66 -0.24 2.03 1.01 0.27 -0.87 121.20 129.68 3a7h s ILE 97 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 3a7h s ILE 97 Cb -0.17 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3a7h s ILE 97 CO 0.06 0.31 0.28 -0.63 0.00 0.00 0.00 174.94 174.96 3a7h s ILE 98 N 1.62 5.27 0.25 2.92 -1.09 -0.35 -0.66 121.20 129.15 3a7h s ILE 98 Ca 0.06 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.90 3a7h s ILE 98 Cb -0.15 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 3a7h s ILE 98 CO 0.06 0.27 0.12 -0.04 -1.23 0.00 0.00 174.94 174.11 3a7h s MET 99 N 1.44 1.38 0.22 2.79 -1.94 -0.36 0.07 119.30 122.90 3a7h s MET 99 Ca 0.12 -1.75 -0.31 0.00 -1.71 0.00 0.00 55.69 52.04 3a7h s MET 99 Cb -0.15 -0.07 -0.11 0.00 2.01 0.00 0.00 34.83 36.51 3a7h s MET 99 CO 0.07 -0.35 1.62 -2.00 -0.01 0.00 0.00 175.02 174.35 3a7h s GLU 100 N -4.04 4.16 -0.01 2.03 2.12 -0.47 -0.14 118.70 122.36 3a7h s GLU 100 Ca 0.38 2.50 -0.27 0.00 0.36 0.00 0.00 54.97 57.94 3a7h s GLU 100 Cb 0.07 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 3a7h s GLU 100 CO 0.14 -0.65 0.83 -0.47 -0.54 0.00 0.00 175.26 174.57 3a7h s TYR 101 N 0.77 3.65 -0.35 5.30 5.04 -1.26 -4.35 117.35 126.14 3a7h s TYR 101 Ca 0.69 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.83 3a7h s TYR 101 Cb -0.47 -2.94 0.11 0.00 0.35 0.00 0.00 41.96 39.01 3a7h s TYR 101 CO 0.37 0.08 0.10 -0.51 -1.34 0.00 0.00 175.55 174.25 3a7h s LEU 102 N 0.71 3.65 0.00 6.97 1.43 -1.26 -4.92 118.68 125.26 3a7h s LEU 102 Ca 0.44 -2.09 0.25 0.00 -1.03 0.00 0.00 54.13 51.69 3a7h s LEU 102 Cb -0.20 -1.31 1.22 0.00 0.03 0.00 0.00 46.19 45.94 3a7h s LEU 102 CO 0.23 -0.37 1.82 0.61 0.23 0.00 0.00 176.35 178.87 3a7h n GLY 103 N 4.30 -0.47 0.07 -3.19 0.00 -1.21 -4.13 105.19 100.55 3a7h n GLY 103 Ca 0.02 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3a7h n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7h n GLY 104 N 1.02 -1.53 0.00 -0.02 0.00 0.19 -4.56 105.19 100.28 3a7h n GLY 104 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3a7h n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7h n GLY 105 N 1.36 0.21 3.90 -0.02 0.00 -1.17 -4.77 105.19 104.70 3a7h n GLY 105 Ca 0.05 -1.95 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 3a7h n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a7h s SER 106 N -0.70 6.14 0.43 1.61 1.04 -1.26 0.43 113.70 121.38 3a7h s SER 106 Ca 0.00 0.95 0.10 0.00 0.48 0.00 0.00 55.95 57.47 3a7h s SER 106 Cb 0.00 -2.18 0.95 0.00 0.10 0.00 0.00 66.02 64.89 3a7h s SER 106 CO 0.00 -0.70 2.06 0.00 0.98 0.00 0.00 173.24 175.58 3a7h h ALA 107 N 0.09 1.80 -0.47 5.32 0.00 -0.41 -0.68 119.26 124.91 3a7h h ALA 107 Ca -0.46 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 3a7h h ALA 107 Cb 1.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3a7h h ALA 107 CO 0.61 0.16 -0.01 1.25 0.00 0.00 0.00 179.25 181.27 3a7h h LEU 108 N 0.45 0.76 -0.73 0.00 5.85 -1.65 -2.42 115.31 117.56 3a7h h LEU 108 Ca 0.15 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3a7h h LEU 108 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3a7h h LEU 108 CO -0.03 0.83 0.21 0.44 -0.34 0.00 0.00 178.44 179.55 3a7h h ASP 109 N 0.74 1.09 0.34 1.25 3.45 -1.48 -2.43 116.42 119.37 3a7h h ASP 109 Ca 0.14 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.38 3a7h h ASP 109 Cb 0.46 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3a7h h ASP 109 CO 0.02 1.02 0.00 0.18 -1.57 0.00 0.00 179.24 178.89 3a7h n LEU 110 N -4.25 0.22 0.08 1.55 4.77 -0.44 -1.57 117.00 117.36 3a7h n LEU 110 Ca 0.06 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 3a7h n LEU 110 Cb 0.24 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3a7h n LEU 110 CO 0.42 -0.48 0.10 0.18 -1.33 0.00 0.00 177.39 176.28 3a7h n LEU 111 N -1.76 0.77 -0.24 2.23 4.77 -0.92 -4.37 117.00 117.48 3a7h n LEU 111 Ca 0.02 0.25 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 3a7h n LEU 111 Cb 0.12 -0.10 0.16 0.00 -2.33 0.00 0.00 43.42 41.27 3a7h n LEU 111 CO 0.11 -0.12 0.98 -0.33 -1.33 0.00 0.00 177.39 176.69 3a7h h GLU 112 N 0.00 0.36 -0.39 3.23 4.39 -1.27 -3.08 114.58 117.81 3a7h h GLU 112 Ca 0.00 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3a7h h GLU 112 Cb 0.90 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3a7h h GLU 112 CO 0.00 0.23 -0.06 -1.35 -1.16 0.00 0.00 179.01 176.68 3a7h h PRO 113 N 0.37 0.73 0.00 2.33 0.11 -1.77 -3.49 132.00 130.27 3a7h h PRO 113 Ca 0.38 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3a7h h PRO 113 Cb 0.58 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3a7h h PRO 113 CO -0.41 0.85 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 3a7h n GLY 114 N -0.26 -1.05 3.82 -0.55 0.00 -1.17 -5.16 105.19 100.83 3a7h n GLY 114 Ca -0.01 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3a7h n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a7h s PRO 115 N -0.11 2.33 0.28 1.61 0.02 -1.26 -4.60 135.00 133.25 3a7h s PRO 115 Ca 0.00 0.66 0.04 0.00 0.02 0.00 0.00 61.00 61.71 3a7h s PRO 115 Cb 0.00 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 3a7h s PRO 115 CO 0.00 -1.46 0.42 -0.51 -0.33 0.00 0.00 177.00 175.12 3a7h s LEU 116 N -5.68 4.22 0.48 -5.54 1.43 -1.26 -5.06 118.68 107.26 3a7h s LEU 116 Ca 0.60 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.89 3a7h s LEU 116 Cb -0.14 -2.99 0.01 0.00 0.03 0.00 0.00 46.19 43.11 3a7h s LEU 116 CO 0.54 -0.15 0.69 1.51 0.23 0.00 0.00 176.35 179.17 3a7h s ASP 117 N -4.00 5.59 0.55 2.29 3.84 -1.26 -4.89 116.67 118.79 3a7h s ASP 117 Ca 0.36 0.06 0.28 0.00 -0.00 0.00 0.00 52.55 53.25 3a7h s ASP 117 Cb -0.09 -1.15 1.59 0.00 -1.38 0.00 0.00 42.92 41.88 3a7h s ASP 117 CO 0.31 -0.87 2.14 -0.33 -0.00 0.00 0.00 175.17 176.42 3a7h h GLU 118 N 0.32 0.00 -0.27 2.11 5.08 -1.98 -0.60 114.58 119.25 3a7h h GLU 118 Ca -0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 3a7h h GLU 118 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3a7h h GLU 118 CO 0.54 0.08 -0.04 1.15 -1.00 0.00 0.00 179.01 179.73 3a7h h THR 119 N 0.00 1.27 -0.30 1.13 2.02 -1.93 -0.11 112.91 115.00 3a7h h THR 119 Ca -0.00 -1.03 -0.05 0.00 0.77 0.00 0.00 66.41 66.10 3a7h h THR 119 Cb 0.21 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3a7h h THR 119 CO 0.01 0.32 0.01 1.56 0.37 0.00 0.00 175.52 177.80 3a7h h GLN 120 N 0.26 0.52 -0.12 6.66 4.20 -1.60 -1.23 115.11 123.80 3a7h h GLN 120 Ca 0.07 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.66 3a7h h GLN 120 Cb 0.50 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 3a7h h GLN 120 CO 0.02 0.66 -0.13 0.82 -0.67 0.00 0.00 178.83 179.53 3a7h h ILE 121 N 0.32 0.64 -0.90 2.54 2.04 -1.07 -1.05 117.51 120.04 3a7h h ILE 121 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3a7h h ILE 121 Cb 0.41 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3a7h h ILE 121 CO 0.01 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.73 3a7h h ALA 122 N 0.91 1.23 -0.07 1.87 0.00 -0.94 -0.12 119.26 122.14 3a7h h ALA 122 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3a7h h ALA 122 Cb 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3a7h h ALA 122 CO -0.22 0.35 0.02 1.15 0.00 0.00 0.00 179.25 180.55 3a7h h THR 123 N 1.05 1.17 -0.13 0.00 2.02 -0.80 -0.23 112.91 115.99 3a7h h THR 123 Ca 0.38 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3a7h h THR 123 Cb 0.13 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3a7h h THR 123 CO -0.16 0.15 0.08 0.40 0.37 0.00 0.00 175.52 176.36 3a7h h ILE 124 N -0.08 1.05 -0.82 3.11 2.04 -0.99 -2.50 117.51 119.31 3a7h h ILE 124 Ca 0.02 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3a7h h ILE 124 Cb 0.21 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3a7h h ILE 124 CO -0.00 0.05 0.55 -0.07 0.00 0.00 0.00 178.15 178.67 3a7h h LEU 125 N 0.15 0.94 -0.36 1.44 3.38 -0.96 -1.47 115.31 118.43 3a7h h LEU 125 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3a7h h LEU 125 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3a7h h LEU 125 CO -0.01 0.68 0.18 -0.09 0.09 0.00 0.00 178.44 179.29 3a7h h ARG 126 N 1.11 0.51 -0.16 1.13 2.43 -0.79 0.34 114.38 118.95 3a7h h ARG 126 Ca 0.31 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3a7h h ARG 126 Cb -0.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3a7h h ARG 126 CO -0.07 0.45 -0.26 0.93 -1.51 0.00 0.00 179.97 179.51 3a7h h GLU 127 N 0.45 0.29 -0.41 0.20 4.39 -1.00 -1.89 114.58 116.61 3a7h h GLU 127 Ca 0.12 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 3a7h h GLU 127 Cb 0.10 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3a7h h GLU 127 CO -0.02 0.53 -0.21 0.82 -1.16 0.00 0.00 179.01 178.97 3a7h h ILE 128 N 0.26 1.27 -0.18 3.13 2.04 -0.82 -2.01 117.51 121.19 3a7h h ILE 128 Ca 0.04 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 3a7h h ILE 128 Cb 0.60 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3a7h h ILE 128 CO 0.04 0.45 -0.15 -0.07 0.00 0.00 0.00 178.15 178.42 3a7h h LEU 129 N 0.71 0.29 -0.35 1.44 3.38 -0.54 0.13 115.31 120.37 3a7h h LEU 129 Ca 0.10 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3a7h h LEU 129 Cb 0.73 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3a7h h LEU 129 CO 0.06 0.47 -0.30 0.11 0.09 0.00 0.00 178.44 178.87 3a7h h LYS 130 N 0.28 0.82 -0.41 1.13 1.57 -0.74 -1.25 116.57 117.96 3a7h h LYS 130 Ca 0.05 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3a7h h LYS 130 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3a7h h LYS 130 CO 0.03 1.05 0.20 0.78 -0.57 0.00 0.00 179.45 180.94 3a7h h GLY 131 N 0.60 0.64 1.14 3.86 0.00 -0.87 -2.17 103.07 106.27 3a7h h GLY 131 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3a7h h GLY 131 CO 0.08 0.30 0.27 1.41 0.00 0.00 0.00 176.54 178.59 3a7h h LEU 132 N 0.53 1.01 -0.74 3.11 3.38 -0.62 -1.00 115.31 120.97 3a7h h LEU 132 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3a7h h LEU 132 Cb 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3a7h h LEU 132 CO -0.02 0.91 0.38 -0.78 0.09 0.00 0.00 178.44 179.02 3a7h h ASP 133 N 1.06 0.95 0.26 -0.43 3.58 -1.07 0.46 116.42 121.23 3a7h h ASP 133 Ca 0.24 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 3a7h h ASP 133 Cb 0.23 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.04 3a7h h ASP 133 CO -0.02 0.80 -0.13 0.22 -2.88 0.00 0.00 179.24 177.24 3a7h h TYR 134 N 1.04 -0.33 -0.71 0.28 3.20 -1.00 -0.76 116.97 118.68 3a7h h TYR 134 Ca 0.26 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3a7h h TYR 134 Cb 0.08 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3a7h h TYR 134 CO 0.00 -0.09 0.45 -0.07 -1.64 0.00 0.00 178.16 176.81 3a7h h LEU 135 N -0.51 0.74 -0.89 2.82 3.38 -0.94 -1.24 115.31 118.67 3a7h h LEU 135 Ca -0.04 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3a7h h LEU 135 Cb 0.38 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3a7h h LEU 135 CO 0.06 0.51 -0.06 0.45 0.09 0.00 0.00 178.44 179.49 3a7h h HIS 136 N 0.88 0.81 -0.25 1.13 3.86 0.06 0.25 115.15 121.90 3a7h h HIS 136 Ca 0.29 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3a7h h HIS 136 Cb 0.01 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 3a7h h HIS 136 CO -0.04 0.79 -0.02 0.66 0.86 0.00 0.00 177.93 180.18 3a7h h SER 137 N 0.69 0.34 -0.20 2.45 4.64 -0.45 -0.60 113.55 120.42 3a7h h SER 137 Ca 0.13 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3a7h h SER 137 Cb 0.51 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3a7h h SER 137 CO 0.03 0.42 0.00 -0.62 -0.87 0.00 0.00 176.83 175.79 3a7h n GLU 138 N -4.32 1.77 -2.57 4.77 -0.58 -0.53 -4.89 120.64 114.29 3a7h n GLU 138 Ca 0.00 -0.85 -0.20 0.00 -0.42 0.00 0.00 57.16 55.70 3a7h n GLU 138 Cb 0.22 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3a7h n GLU 138 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3a7h n LYS 139 N 0.16 -2.51 -4.21 3.49 4.76 -0.23 -4.96 118.16 114.66 3a7h n LYS 139 Ca 0.08 0.92 -0.27 0.00 -2.87 0.00 0.00 58.31 56.17 3a7h n LYS 139 Cb 0.32 -5.62 -0.08 0.00 -1.84 0.00 0.00 35.03 27.82 3a7h n LYS 139 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3a7h s LYS 140 N -5.22 2.38 -0.07 1.97 1.02 0.80 -1.85 119.74 118.78 3a7h s LYS 140 Ca 0.08 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.00 3a7h s LYS 140 Cb -0.04 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3a7h s LYS 140 CO 0.10 0.46 -0.21 0.42 -0.92 0.00 0.00 175.35 175.19 3a7h s ILE 141 N -1.71 1.77 0.01 2.17 1.01 -0.13 -3.75 121.20 120.57 3a7h s ILE 141 Ca 0.27 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.79 3a7h s ILE 141 Cb -0.09 -1.53 -0.18 0.00 0.01 0.00 0.00 42.46 40.67 3a7h s ILE 141 CO 0.18 0.50 1.36 -0.74 0.00 0.00 0.00 174.94 176.24 3a7h h HIS 142 N 6.49 -0.11 0.00 3.97 -0.00 -1.93 0.13 115.15 123.69 3a7h h HIS 142 Ca -0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.10 3a7h h HIS 142 Cb 1.20 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3a7h h HIS 142 CO 0.46 0.22 0.00 0.54 -0.00 0.00 0.00 177.93 179.15 3a7h n ARG 143 N -4.99 0.00 -2.76 5.26 1.74 -1.26 -3.17 116.66 111.48 3a7h n ARG 143 Ca -0.08 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.89 3a7h n ARG 143 Cb 0.21 -1.72 0.03 0.00 -1.02 0.00 0.00 32.46 29.95 3a7h n ARG 143 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a7h n ASP 144 N 0.00 1.03 -4.69 0.55 2.03 -1.26 -4.17 116.55 110.04 3a7h n ASP 144 Ca 0.00 -2.76 -0.42 0.00 0.52 0.00 0.00 54.79 52.12 3a7h n ASP 144 Cb 0.00 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 3a7h n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3a7h s ILE 145 N -2.71 4.46 -0.10 5.18 -1.09 -1.26 -4.78 121.20 120.91 3a7h s ILE 145 Ca 0.29 1.76 -0.30 0.00 -2.23 0.00 0.00 60.65 60.17 3a7h s ILE 145 Cb 0.43 -4.13 0.12 0.00 -1.58 0.00 0.00 42.46 37.30 3a7h s ILE 145 CO 0.01 0.01 1.00 -1.59 -1.23 0.00 0.00 174.94 173.14 3a7h s LYS 146 N 2.04 0.63 0.58 2.79 -2.85 -1.26 -4.71 119.74 116.96 3a7h s LYS 146 Ca 0.53 -0.12 0.28 0.00 -1.00 0.00 0.00 55.97 55.66 3a7h s LYS 146 Cb -0.22 0.29 1.61 0.00 -2.06 0.00 0.00 37.83 37.45 3a7h s LYS 146 CO 0.21 -0.25 2.09 0.00 0.10 0.00 0.00 175.35 177.49 3a7h h ALA 147 N 2.17 1.88 0.00 0.59 0.00 -1.93 0.05 119.26 122.01 3a7h h ALA 147 Ca -0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3a7h h ALA 147 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3a7h h ALA 147 CO 0.29 -0.33 -0.10 0.00 0.00 0.00 0.00 179.25 179.11 3a7h h ALA 148 N 1.76 1.04 -0.61 0.00 0.00 -1.95 -2.16 119.26 117.35 3a7h h ALA 148 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a7h h ALA 148 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3a7h h ALA 148 CO -0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.46 3a7h n ASN 149 N -3.27 4.01 -4.22 0.00 3.02 0.00 -4.83 115.26 109.97 3a7h n ASN 149 Ca 0.00 -2.19 -0.37 0.00 -0.03 0.00 0.00 54.58 52.00 3a7h n ASN 149 Cb 0.34 -0.47 -0.13 0.00 -0.61 0.00 0.00 39.78 38.91 3a7h n ASN 149 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a7h s VAL 150 N -1.35 3.45 -0.03 2.41 1.01 -1.09 -1.52 120.40 123.27 3a7h s VAL 150 Ca 0.44 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3a7h s VAL 150 Cb 0.26 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 3a7h s VAL 150 CO 0.26 -0.21 0.14 -0.76 0.00 0.00 0.00 175.10 174.53 3a7h s LEU 151 N 1.32 4.21 0.06 3.92 1.43 0.53 -0.26 118.68 129.89 3a7h s LEU 151 Ca -0.02 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3a7h s LEU 151 Cb -0.20 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 3a7h s LEU 151 CO 0.01 0.30 -0.11 -0.76 0.23 0.00 0.00 176.35 176.01 3a7h s LEU 152 N -1.68 2.98 0.69 1.79 1.02 0.17 -0.55 118.68 123.10 3a7h s LEU 152 Ca 0.23 -0.32 -0.09 0.00 0.02 0.00 0.00 54.13 53.97 3a7h s LEU 152 Cb -0.12 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.36 3a7h s LEU 152 CO 0.14 0.23 1.03 -0.94 0.02 0.00 0.00 176.35 176.83 3a7h s SER 153 N -1.80 5.20 0.58 2.29 1.04 0.33 0.56 113.70 121.90 3a7h s SER 153 Ca 0.19 0.80 0.36 0.00 0.48 0.00 0.00 55.95 57.77 3a7h s SER 153 Cb -0.11 -1.58 1.70 0.00 0.10 0.00 0.00 66.02 66.14 3a7h s SER 153 CO 0.10 -1.40 2.12 1.05 0.98 0.00 0.00 173.24 176.08 3a7h h GLU 154 N -0.56 0.00 -0.24 4.02 4.11 -1.89 -2.19 114.58 117.82 3a7h h GLU 154 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3a7h h GLU 154 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3a7h h GLU 154 CO 0.62 0.03 0.00 0.72 0.07 0.00 0.00 179.01 180.46 3a7h n HIS 155 N -3.21 0.31 0.00 2.06 8.25 -1.26 -4.78 115.22 116.59 3a7h n HIS 155 Ca -0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3a7h n HIS 155 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3a7h n HIS 155 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a7h n GLY 156 N 1.18 0.58 3.75 -1.41 0.00 -0.83 -4.10 105.19 104.36 3a7h n GLY 156 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3a7h n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7h s GLU 157 N -0.83 4.52 -0.16 1.61 8.01 -1.26 -4.69 118.70 125.89 3a7h s GLU 157 Ca 0.00 1.93 -0.04 0.00 0.01 0.00 0.00 54.97 56.87 3a7h s GLU 157 Cb 0.00 -3.18 -0.03 0.00 -4.31 0.00 0.00 34.13 26.61 3a7h s GLU 157 CO 0.00 0.00 -0.03 0.08 0.01 0.00 0.00 175.26 175.32 3a7h s VAL 158 N -0.71 3.90 0.04 2.63 1.01 -1.26 -0.51 120.40 125.50 3a7h s VAL 158 Ca 0.49 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3a7h s VAL 158 Cb -0.34 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 3a7h s VAL 158 CO 0.42 0.48 -0.05 -0.54 0.00 0.00 0.00 175.10 175.41 3a7h s LYS 159 N 0.45 0.49 0.11 2.72 1.02 0.29 -4.78 119.74 120.04 3a7h s LYS 159 Ca -0.03 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 3a7h s LYS 159 Cb -0.14 -0.07 -0.06 0.00 -0.52 0.00 0.00 37.83 37.04 3a7h s LYS 159 CO 0.03 -0.02 0.94 -0.51 -0.92 0.00 0.00 175.35 174.87 3a7h s LEU 160 N -1.85 4.50 0.32 3.17 1.43 0.14 -0.34 118.68 126.04 3a7h s LEU 160 Ca -0.08 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3a7h s LEU 160 Cb -0.06 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 3a7h s LEU 160 CO -0.02 -0.05 0.16 0.00 0.23 0.00 0.00 176.35 176.68 3a7h s ALA 161 N -0.07 2.06 -0.94 4.21 0.00 -0.58 -2.15 121.76 124.30 3a7h s ALA 161 Ca 0.46 -1.73 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 3a7h s ALA 161 Cb -0.23 1.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 3a7h s ALA 161 CO 0.29 -0.50 0.77 -3.47 0.00 0.00 0.00 175.76 172.85 3a7h n ASP 162 N -1.00 -6.45 0.18 0.00 2.03 -1.26 -4.83 116.55 105.21 3a7h n ASP 162 Ca 0.01 -0.61 -0.10 0.00 0.52 0.00 0.00 54.79 54.60 3a7h n ASP 162 Cb 0.65 -4.25 -0.06 0.00 -0.72 0.00 0.00 41.12 36.74 3a7h n ASP 162 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3a7h h PHE 163 N -0.66 -0.48 0.00 -0.67 0.04 -1.89 -3.43 116.94 109.85 3a7h h PHE 163 Ca -0.42 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3a7h h PHE 163 Cb 1.23 0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.54 3a7h h PHE 163 CO 0.27 -0.19 0.00 0.41 -0.60 0.00 0.00 178.31 178.19 3a7h n GLY 164 N 0.21 0.00 0.09 -1.45 0.00 -1.26 -1.07 105.19 101.71 3a7h n GLY 164 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 3a7h n GLY 164 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3a7h n VAL 165 N 0.00 1.73 -1.87 1.61 0.24 -1.26 -4.20 118.33 114.57 3a7h n VAL 165 Ca 0.00 -2.01 -0.41 0.00 -2.04 0.00 0.00 64.34 59.88 3a7h n VAL 165 Cb 0.00 -0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.27 3a7h n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a7h s ALA 166 N -2.51 3.58 0.22 2.33 0.00 -0.23 -4.69 121.76 120.46 3a7h s ALA 166 Ca 0.26 1.50 0.06 0.00 0.00 0.00 0.00 51.96 53.78 3a7h s ALA 166 Cb 0.23 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3a7h s ALA 166 CO 0.03 -0.95 0.22 0.20 0.00 0.00 0.00 175.76 175.26 3a7h s GLY 167 N -0.12 1.46 -0.29 0.00 0.00 0.45 -4.95 107.32 103.87 3a7h s GLY 167 Ca 0.53 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.96 3a7h s GLY 167 CO 0.59 -1.34 -0.02 1.62 0.00 0.00 0.00 173.10 173.95 3a7h s GLN 168 N -3.67 1.64 -1.34 2.90 2.00 -1.26 -0.96 119.66 118.97 3a7h s GLN 168 Ca 0.33 -1.41 -0.14 0.00 -2.00 0.00 0.00 55.36 52.14 3a7h s GLN 168 Cb -0.09 -2.82 0.10 0.00 0.80 0.00 0.00 33.01 31.00 3a7h s GLN 168 CO 0.26 -0.75 1.91 1.28 -0.50 0.00 0.00 175.29 177.48 3a7h n LEU 169 N 4.48 6.11 0.00 3.68 4.77 -0.77 -4.96 117.00 130.31 3a7h n LEU 169 Ca -0.06 -4.26 -0.07 0.00 -0.03 0.00 0.00 56.01 51.59 3a7h n LEU 169 Cb 0.43 -1.63 0.05 0.00 -2.33 0.00 0.00 43.42 39.93 3a7h n LEU 169 CO 0.19 0.89 0.20 0.35 -1.33 0.00 0.00 177.39 177.70 3a7h n THR 170 N 4.90 0.00 -0.31 -5.08 -2.24 -1.12 -4.74 114.28 105.68 3a7h n THR 170 Ca 0.46 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3a7h n THR 170 Cb 0.41 -1.60 -0.07 0.00 -2.10 0.00 0.00 70.33 66.97 3a7h n THR 170 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3a7h n ASP 171 N -3.12 -0.79 -1.01 3.42 9.92 -1.26 -1.71 116.55 121.99 3a7h n ASP 171 Ca 0.05 1.52 0.05 0.00 -0.53 0.00 0.00 54.79 55.88 3a7h n ASP 171 Cb 0.16 -0.27 0.20 0.00 -0.64 0.00 0.00 41.12 40.58 3a7h n ASP 171 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3a7h n THR 172 N -4.72 1.03 -2.90 -3.53 -2.24 -1.26 -4.46 114.28 96.20 3a7h n THR 172 Ca 0.01 -0.66 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 3a7h n THR 172 Cb 0.19 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3a7h n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7h n GLN 173 N 0.52 0.55 0.00 -0.78 6.02 -0.70 -5.00 117.38 118.00 3a7h n GLN 173 Ca 0.14 -2.26 0.10 0.00 -0.01 0.00 0.00 57.00 54.97 3a7h n GLN 173 Cb 0.56 -1.48 0.57 0.00 1.02 0.00 0.00 30.24 30.90 3a7h n GLN 173 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3a7h n ILE 174 N 2.49 0.00 -3.64 5.09 2.08 -1.19 -2.81 119.36 121.37 3a7h n ILE 174 Ca 0.18 0.00 -0.13 0.00 0.56 0.00 0.00 62.75 63.36 3a7h n ILE 174 Cb 0.56 -0.69 -0.06 0.00 -0.75 0.00 0.00 39.64 38.70 3a7h n ILE 174 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 3a7h s LYS 175 N -2.00 0.95 0.35 0.38 0.00 -1.26 -4.87 119.74 113.28 3a7h s LYS 175 Ca 0.29 -0.35 0.09 0.00 0.00 0.00 0.00 55.97 55.99 3a7h s LYS 175 Cb 0.13 0.43 -0.05 0.00 0.00 0.00 0.00 37.83 38.34 3a7h s LYS 175 CO 0.22 -0.33 0.07 1.03 0.00 0.00 0.00 175.35 176.34 3a7h s ARG 176 N -2.54 2.19 -0.42 1.78 1.81 0.09 -4.84 118.95 117.02 3a7h s ARG 176 Ca -0.05 -1.69 0.03 0.00 -1.72 0.00 0.00 55.73 52.30 3a7h s ARG 176 Cb -0.01 -2.01 0.16 0.00 -0.45 0.00 0.00 34.95 32.64 3a7h s ARG 176 CO -0.03 0.10 0.31 -0.80 -0.68 0.00 0.00 175.30 174.21 3a7h s ASN 177 N -3.77 2.32 -0.29 0.23 0.01 -1.26 -0.23 114.94 111.95 3a7h s ASN 177 Ca 0.36 -2.87 -0.01 0.00 -0.71 0.00 0.00 52.86 49.63 3a7h s ASN 177 Cb -0.00 -0.59 0.09 0.00 0.41 0.00 0.00 41.25 41.16 3a7h s ASN 177 CO 0.21 -0.21 0.08 0.12 -1.51 0.00 0.00 177.10 175.79 3a7h s PHE 179 N 0.21 1.67 0.02 2.20 5.36 -1.26 -4.59 117.98 121.59 3a7h s PHE 179 Ca 0.27 -1.63 -0.07 0.00 -0.96 0.00 0.00 56.93 54.54 3a7h s PHE 179 Cb -0.06 -1.62 -0.00 0.00 -0.34 0.00 0.00 43.02 40.99 3a7h s PHE 179 CO -0.12 -0.84 0.13 0.08 -1.46 0.00 0.00 175.22 173.01 3a7h s VAL 180 N 1.63 0.10 0.00 3.12 1.01 -1.26 -5.13 120.40 119.87 3a7h s VAL 180 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3a7h s VAL 180 Cb -0.17 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3a7h s VAL 180 CO -0.22 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.03 3a7h n GLY 181 N 1.16 0.09 3.39 4.51 0.00 -1.26 -4.96 105.19 108.12 3a7h n GLY 181 Ca -0.21 -2.28 -0.36 0.00 0.00 0.00 0.00 46.02 43.17 3a7h n GLY 181 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a7h s THR 182 N 0.00 3.91 0.11 2.61 2.01 -1.26 -5.03 115.64 117.98 3a7h s THR 182 Ca 0.00 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 3a7h s THR 182 Cb 0.00 -2.81 0.05 0.00 0.01 0.00 0.00 72.50 69.75 3a7h s THR 182 CO 0.00 0.38 0.85 -0.81 -0.69 0.00 0.00 174.62 174.34 3a7h n PRO 183 N 4.87 -0.18 0.20 4.92 -0.04 -1.26 -0.89 135.00 142.61 3a7h n PRO 183 Ca -0.17 0.84 0.14 0.00 -0.04 0.00 0.00 63.50 64.27 3a7h n PRO 183 Cb 0.51 -1.23 0.75 0.00 -0.04 0.00 0.00 33.50 33.49 3a7h n PRO 183 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3a7h h PHE 184 N 0.00 0.00 -0.22 0.54 -1.00 -1.94 -2.11 116.94 112.20 3a7h h PHE 184 Ca 0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.92 3a7h h PHE 184 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.84 3a7h h PHE 184 CO -0.52 0.00 0.00 0.91 -1.61 0.00 0.00 178.31 177.09 3a7h n TRP 185 N -4.18 0.28 -2.79 -0.55 8.01 -0.07 -4.78 117.44 113.36 3a7h n TRP 185 Ca 0.01 -0.16 -0.41 0.00 -1.31 0.00 0.00 57.50 55.63 3a7h n TRP 185 Cb 0.25 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.50 3a7h n TRP 185 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3a7h s MET 186 N -1.49 4.64 0.55 -0.99 -1.94 -0.80 -3.98 119.30 115.29 3a7h s MET 186 Ca 0.30 1.35 -0.20 0.00 -1.71 0.00 0.00 55.69 55.43 3a7h s MET 186 Cb 0.19 -3.38 -0.05 0.00 2.01 0.00 0.00 34.83 33.60 3a7h s MET 186 CO 0.27 0.22 1.19 0.00 -0.01 0.00 0.00 175.02 176.69 3a7h s ALA 187 N 0.03 2.70 0.27 3.03 0.00 -1.26 -4.88 121.76 121.65 3a7h s ALA 187 Ca 0.45 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 3a7h s ALA 187 Cb -0.22 -3.42 0.50 0.00 0.00 0.00 0.00 23.12 19.98 3a7h s ALA 187 CO 0.28 -0.96 1.82 -1.00 0.00 0.00 0.00 175.76 175.90 3a7h h PRO 188 N 1.27 0.85 0.00 0.00 0.13 -1.91 -1.65 132.00 130.69 3a7h h PRO 188 Ca -0.50 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.49 3a7h h PRO 188 Cb 1.28 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3a7h h PRO 188 CO 0.57 0.56 -0.43 1.05 -0.23 0.00 0.00 178.00 179.52 3a7h h GLU 189 N 0.87 0.00 -0.17 0.86 9.09 -1.92 -1.43 114.58 121.88 3a7h h GLU 189 Ca 0.46 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.78 3a7h h GLU 189 Cb 0.48 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3a7h h GLU 189 CO -0.27 0.43 -0.25 0.28 0.05 0.00 0.00 179.01 179.25 3a7h h VAL 190 N 0.00 1.35 -0.53 -1.06 2.07 -1.62 0.13 116.25 116.60 3a7h h VAL 190 Ca -0.00 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.04 3a7h h VAL 190 Cb 0.86 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3a7h h VAL 190 CO 0.06 0.44 0.28 0.40 0.02 0.00 0.00 177.57 178.77 3a7h h ILE 191 N 0.10 1.18 0.00 4.57 2.04 -1.18 -1.80 117.51 122.43 3a7h h ILE 191 Ca 0.02 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3a7h h ILE 191 Cb 0.82 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3a7h h ILE 191 CO 0.06 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.70 3a7h n LYS 192 N -4.62 0.90 -3.88 2.37 4.76 -0.56 -4.90 118.16 112.24 3a7h n LYS 192 Ca 0.03 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 3a7h n LYS 192 Cb 0.09 -1.40 0.03 0.00 -1.84 0.00 0.00 35.03 31.91 3a7h n LYS 192 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3a7h n GLN 193 N -0.90 -5.47 -1.74 1.97 6.02 -0.55 -5.00 117.38 111.72 3a7h n GLN 193 Ca 0.17 0.60 -0.29 0.00 -0.01 0.00 0.00 57.00 57.47 3a7h n GLN 193 Cb 0.08 -5.49 0.11 0.00 1.02 0.00 0.00 30.24 25.95 3a7h n GLN 193 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3a7h s SER 194 N -3.27 4.13 0.03 1.08 0.01 0.36 -4.81 113.70 111.24 3a7h s SER 194 Ca 0.66 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 58.50 3a7h s SER 194 Cb -0.33 -1.43 -0.07 0.00 0.21 0.00 0.00 66.02 64.40 3a7h s SER 194 CO 0.81 -2.15 1.57 0.00 0.41 0.00 0.00 173.24 173.88 3a7h s ALA 195 N -3.44 3.64 0.31 1.44 0.00 -1.26 -4.44 121.76 118.01 3a7h s ALA 195 Ca 0.63 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.68 3a7h s ALA 195 Cb -0.13 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 3a7h s ALA 195 CO 0.51 -1.07 0.12 1.52 0.00 0.00 0.00 175.76 176.84 3a7h s TYR 196 N 2.69 1.65 0.00 0.00 -0.85 0.68 -4.89 117.35 116.63 3a7h s TYR 196 Ca 0.70 -1.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 3a7h s TYR 196 Cb -0.36 -0.96 0.00 0.00 0.38 0.00 0.00 41.96 41.01 3a7h s TYR 196 CO 0.30 -0.37 0.00 -0.40 -1.52 0.00 0.00 175.55 173.56 3a7h n ASP 197 N -0.79 1.00 -0.31 -0.18 5.68 -1.26 -0.73 116.55 119.96 3a7h n ASP 197 Ca -0.01 0.00 0.32 0.00 -0.50 0.00 0.00 54.79 54.60 3a7h n ASP 197 Cb 0.66 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.32 3a7h n ASP 197 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3a7h h SER 198 N 0.00 0.12 0.19 -1.12 4.64 -1.95 -0.11 113.55 115.31 3a7h h SER 198 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3a7h h SER 198 Cb 0.00 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a7h h SER 198 CO 0.00 0.02 -0.03 0.11 -0.87 0.00 0.00 176.83 176.05 3a7h h LYS 199 N 0.10 0.00 -0.29 4.77 1.79 -1.95 -1.00 116.57 119.99 3a7h h LYS 199 Ca 0.56 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.95 3a7h h LYS 199 Cb 2.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.66 3a7h h LYS 199 CO -0.09 0.03 -0.18 0.00 -1.08 0.00 0.00 179.45 178.13 3a7h h ALA 200 N 1.97 1.15 -0.12 3.86 0.00 -1.39 -2.21 119.26 122.52 3a7h h ALA 200 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3a7h h ALA 200 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a7h h ALA 200 CO 0.00 0.54 -0.34 -0.44 0.00 0.00 0.00 179.25 179.01 3a7h h ASP 201 N 0.47 0.24 -0.20 0.00 3.32 -1.34 -1.25 116.42 117.68 3a7h h ASP 201 Ca 0.08 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3a7h h ASP 201 Cb 0.59 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3a7h h ASP 201 CO 0.04 0.57 -0.44 0.40 -1.72 0.00 0.00 179.24 178.10 3a7h h ILE 202 N 0.21 1.29 -0.06 0.35 1.08 -1.25 -0.46 117.51 118.67 3a7h h ILE 202 Ca 0.03 -1.62 -0.00 0.00 -0.39 0.00 0.00 64.86 62.87 3a7h h ILE 202 Cb 0.70 1.53 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 3a7h h ILE 202 CO 0.05 0.53 0.02 -0.25 -0.69 0.00 0.00 178.15 177.81 3a7h h TRP 203 N 0.60 0.10 -0.93 1.37 2.91 -1.21 -1.81 115.95 116.99 3a7h h TRP 203 Ca 0.04 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.18 3a7h h TRP 203 Cb 1.00 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.54 3a7h h TRP 203 CO 0.05 0.25 0.59 0.77 -1.03 0.00 0.00 178.44 179.07 3a7h h SER 204 N -0.08 0.77 -0.69 2.65 0.02 -1.06 0.55 113.55 115.72 3a7h h SER 204 Ca 0.02 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3a7h h SER 204 Cb 0.19 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3a7h h SER 204 CO -0.00 0.41 0.27 0.25 -1.14 0.00 0.00 176.83 176.61 3a7h h LEU 205 N 0.83 0.96 -0.44 5.07 5.85 -0.82 0.19 115.31 126.94 3a7h h LEU 205 Ca 0.46 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3a7h h LEU 205 Cb 0.59 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3a7h h LEU 205 CO -0.22 0.87 0.22 1.23 -0.34 0.00 0.00 178.44 180.20 3a7h h GLY 206 N 0.98 0.60 1.04 3.75 0.00 -0.06 0.09 103.07 109.47 3a7h h GLY 206 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3a7h h GLY 206 CO -0.02 0.11 0.27 -2.22 0.00 0.00 0.00 176.54 174.68 3a7h h ILE 207 N 0.44 1.26 0.00 2.60 1.08 -0.87 -1.89 117.51 120.13 3a7h h ILE 207 Ca 0.19 -0.84 -0.04 0.00 -0.39 0.00 0.00 64.86 63.77 3a7h h ILE 207 Cb 0.09 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.24 3a7h h ILE 207 CO -0.13 0.34 -0.18 0.74 -0.69 0.00 0.00 178.15 178.22 3a7h h THR 208 N 1.09 1.04 -0.30 -0.27 2.02 -0.31 -1.08 112.91 115.11 3a7h h THR 208 Ca 0.25 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 3a7h h THR 208 Cb 0.25 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3a7h h THR 208 CO -0.02 0.18 -0.30 0.00 0.37 0.00 0.00 175.52 175.76 3a7h h ALA 209 N 1.82 0.44 -0.96 6.16 0.00 -0.22 -0.53 119.26 125.96 3a7h h ALA 209 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3a7h h ALA 209 Cb 0.35 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3a7h h ALA 209 CO 0.02 0.46 0.59 0.82 0.00 0.00 0.00 179.25 181.15 3a7h h ILE 210 N 0.48 1.26 -0.68 0.00 2.04 -0.95 -2.32 117.51 117.34 3a7h h ILE 210 Ca 0.05 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3a7h h ILE 210 Cb 0.87 -0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3a7h h ILE 210 CO 0.07 0.27 0.33 -0.08 0.00 0.00 0.00 178.15 178.74 3a7h h GLU 211 N 1.32 0.95 0.00 2.37 4.81 -0.80 0.25 114.58 123.48 3a7h h GLU 211 Ca 0.35 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 3a7h h GLU 211 Cb -0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 3a7h h GLU 211 CO -0.07 0.73 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.42 3a7h h LEU 212 N 0.95 0.00 0.12 1.64 3.38 -0.77 0.57 115.31 121.21 3a7h h LEU 212 Ca 0.24 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.88 3a7h h LEU 212 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3a7h h LEU 212 CO -0.03 0.45 -1.74 0.00 0.09 0.00 0.00 178.44 177.21 3a7h h ALA 213 N 1.55 0.37 0.00 1.53 0.00 -0.85 -3.39 119.26 118.47 3a7h h ALA 213 Ca -0.00 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3a7h h ALA 213 Cb 1.06 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3a7h h ALA 213 CO 0.06 1.23 -0.58 0.54 0.00 0.00 0.00 179.25 180.50 3a7h n ARG 214 N -3.43 3.49 0.00 0.00 5.12 0.81 -4.83 116.66 117.82 3a7h n ARG 214 Ca -0.23 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 3a7h n ARG 214 Cb 1.05 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 3a7h n ARG 214 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3a7h n GLY 215 N 1.35 1.79 3.36 -0.13 0.00 0.20 -5.01 105.19 106.76 3a7h n GLY 215 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3a7h n GLY 215 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a7h s GLU 216 N -0.63 0.98 0.78 1.61 0.41 -1.23 -4.95 118.70 115.67 3a7h s GLU 216 Ca 0.00 -0.29 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 3a7h s GLU 216 Cb 0.00 0.44 0.07 0.00 -1.78 0.00 0.00 34.13 32.86 3a7h s GLU 216 CO 0.00 -0.35 1.15 -1.25 -0.49 0.00 0.00 175.26 174.32 3a7h s PRO 217 N -2.44 2.15 0.62 0.39 0.04 -1.26 -4.03 135.00 130.47 3a7h s PRO 217 Ca -0.05 0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.94 3a7h s PRO 217 Cb -0.01 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3a7h s PRO 217 CO -0.02 -1.46 1.29 -2.30 0.04 0.00 0.00 177.00 174.55 3a7h n PRO 218 N -3.22 1.25 -1.09 0.56 -0.02 -1.26 -2.66 135.00 128.54 3a7h n PRO 218 Ca 0.08 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 62.01 3a7h n PRO 218 Cb 0.60 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3a7h n PRO 218 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3a7h n HIS 219 N -1.69 0.00 0.24 6.00 8.25 -1.26 -4.87 115.22 121.89 3a7h n HIS 219 Ca 0.14 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 3a7h n HIS 219 Cb 0.47 -1.85 0.70 0.00 1.12 0.00 0.00 29.99 30.44 3a7h n HIS 219 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3a7h h SER 220 N 0.00 0.00 0.48 0.41 4.64 -1.89 0.29 113.55 117.48 3a7h h SER 220 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3a7h h SER 220 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 3a7h h SER 220 CO 0.09 0.00 -0.67 1.21 -0.87 0.00 0.00 176.83 176.60 3a7h n GLU 221 N -2.50 0.09 -2.39 4.77 2.13 -1.26 -4.93 120.64 116.55 3a7h n GLU 221 Ca -0.02 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 3a7h n GLU 221 Cb 0.19 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3a7h n GLU 221 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3a7h s LEU 222 N -3.33 3.50 0.27 4.31 1.43 0.10 -5.01 118.68 119.96 3a7h s LEU 222 Ca 0.09 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.00 3a7h s LEU 222 Cb 0.16 -4.09 -0.10 0.00 0.03 0.00 0.00 46.19 42.20 3a7h s LEU 222 CO 0.74 -0.67 1.25 -2.28 0.23 0.00 0.00 176.35 175.62 3a7h s HIS 223 N -2.87 3.25 0.37 0.29 5.65 -1.26 -4.90 115.29 115.81 3a7h s HIS 223 Ca 0.50 1.43 0.16 0.00 0.25 0.00 0.00 55.06 57.40 3a7h s HIS 223 Cb -0.11 -3.55 1.08 0.00 -1.18 0.00 0.00 32.58 28.82 3a7h s HIS 223 CO 0.47 -1.52 1.71 -1.35 -0.65 0.00 0.00 174.74 173.40 3a7h h PRO 224 N 4.15 0.38 -0.31 2.88 0.11 -1.95 -1.00 132.00 136.27 3a7h h PRO 224 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3a7h h PRO 224 Cb 1.22 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3a7h h PRO 224 CO 0.70 0.25 -0.19 1.98 -0.21 0.00 0.00 178.00 180.53 3a7h h MET 225 N 0.39 0.56 -0.28 1.05 4.05 -2.00 -0.63 114.93 118.08 3a7h h MET 225 Ca 0.67 -0.19 -0.05 0.00 -0.28 0.00 0.00 59.70 59.85 3a7h h MET 225 Cb 1.61 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.36 3a7h h MET 225 CO -0.44 0.72 -0.02 0.87 0.23 0.00 0.00 176.91 178.27 3a7h h LYS 226 N 0.50 0.51 -0.16 0.39 1.57 -1.58 -2.38 116.57 115.42 3a7h h LYS 226 Ca 0.08 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3a7h h LYS 226 Cb 0.61 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3a7h h LYS 226 CO 0.04 0.68 0.15 0.28 -0.57 0.00 0.00 179.45 180.04 3a7h h VAL 227 N 0.28 0.62 -0.22 0.50 2.07 -0.92 -1.48 116.25 117.10 3a7h h VAL 227 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 3a7h h VAL 227 Cb 0.47 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3a7h h VAL 227 CO 0.02 0.00 0.01 0.25 0.02 0.00 0.00 177.57 177.87 3a7h h LEU 228 N 0.00 0.29 0.00 2.57 5.85 -0.59 -2.33 115.31 121.11 3a7h h LEU 228 Ca 0.08 -0.04 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3a7h h LEU 228 Cb 0.38 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3a7h h LEU 228 CO -0.00 0.34 -1.85 2.22 -0.34 0.00 0.00 178.44 178.81 3a7h n PHE 229 N -4.36 0.40 -0.10 1.25 1.16 -0.62 -4.44 117.46 110.74 3a7h n PHE 229 Ca 0.00 0.13 -0.10 0.00 -1.87 0.00 0.00 57.45 55.61 3a7h n PHE 229 Cb 0.19 -0.87 -0.03 0.00 -1.61 0.00 0.00 39.48 37.16 3a7h n PHE 229 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3a7h h LEU 230 N 0.00 0.44 -0.05 5.98 3.38 -1.11 -2.64 115.31 121.31 3a7h h LEU 230 Ca -0.21 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3a7h h LEU 230 Cb 1.56 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 3a7h h LEU 230 CO 0.02 0.53 -0.19 0.40 0.09 0.00 0.00 178.44 179.30 3a7h h ILE 231 N 0.33 0.54 0.00 1.22 2.04 -1.64 0.18 117.51 120.18 3a7h h ILE 231 Ca 0.10 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 3a7h h ILE 231 Cb 0.25 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3a7h h ILE 231 CO -0.00 0.00 -0.46 -0.65 0.00 0.00 0.00 178.15 177.04 3a7h h PRO 232 N -0.28 0.00 0.03 2.37 0.11 -1.79 -3.32 132.00 129.12 3a7h h PRO 232 Ca 0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.18 3a7h h PRO 232 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3a7h h PRO 232 CO -0.21 0.46 -0.01 -0.22 -0.21 0.00 0.00 178.00 177.80 3a7h h LYS 233 N 0.00 -0.04 -7.34 1.05 3.64 -1.14 -3.48 116.57 109.26 3a7h h LYS 233 Ca -0.00 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.87 3a7h h LYS 233 Cb 0.89 0.01 0.11 0.00 -0.41 0.00 0.00 32.23 32.83 3a7h h LYS 233 CO 0.06 0.65 0.34 -0.80 -2.27 0.00 0.00 179.45 177.44 3a7h s ASN 234 N -5.92 4.90 0.74 4.20 0.01 0.59 -5.03 114.94 114.43 3a7h s ASN 234 Ca -0.15 1.65 -0.13 0.00 -0.71 0.00 0.00 52.86 53.53 3a7h s ASN 234 Cb -0.01 -2.45 0.04 0.00 0.41 0.00 0.00 41.25 39.24 3a7h s ASN 234 CO 0.56 -1.75 1.11 0.20 -1.51 0.00 0.00 177.10 175.71 3a7h s ASN 235 N -3.65 4.56 0.58 -1.22 0.01 -1.26 -4.93 114.94 109.03 3a7h s ASN 235 Ca 0.60 1.98 -0.20 0.00 -0.71 0.00 0.00 52.86 54.52 3a7h s ASN 235 Cb -0.15 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.93 3a7h s ASN 235 CO 0.55 -2.00 1.32 -2.16 -1.51 0.00 0.00 177.10 173.31 3a7h s PRO 236 N -4.46 2.96 0.74 -0.60 0.04 -1.26 -4.96 135.00 127.45 3a7h s PRO 236 Ca 0.65 2.14 -0.14 0.00 0.04 0.00 0.00 61.00 63.68 3a7h s PRO 236 Cb -0.20 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.28 3a7h s PRO 236 CO 0.49 -1.30 1.19 -2.14 0.04 0.00 0.00 177.00 175.28 3a7h s PRO 237 N -3.08 2.11 0.21 0.56 0.02 -1.26 -5.05 135.00 128.50 3a7h s PRO 237 Ca 0.75 1.68 0.06 0.00 0.02 0.00 0.00 61.00 63.52 3a7h s PRO 237 Cb -0.38 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.25 3a7h s PRO 237 CO 0.44 -1.84 -0.11 0.95 -0.33 0.00 0.00 177.00 176.11 3a7h s THR 238 N -2.11 1.52 -0.32 0.99 -4.23 -1.26 -4.87 115.64 105.36 3a7h s THR 238 Ca 0.72 -2.15 -0.24 0.00 -1.18 0.00 0.00 61.69 58.85 3a7h s THR 238 Cb -0.27 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3a7h s THR 238 CO 0.46 -0.56 0.81 -0.22 -0.54 0.00 0.00 174.62 174.57 3a7h s LEU 239 N -3.30 4.08 0.01 4.79 2.96 -1.26 -5.04 118.68 120.92 3a7h s LEU 239 Ca 0.23 0.65 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 3a7h s LEU 239 Cb 0.01 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 3a7h s LEU 239 CO 0.06 -0.65 0.04 -1.61 -1.32 0.00 0.00 176.35 172.87 3a7h s GLU 240 N 3.03 2.88 0.00 1.98 2.02 -1.26 -4.92 118.70 122.43 3a7h s GLU 240 Ca 0.33 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3a7h s GLU 240 Cb -0.14 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.35 3a7h s GLU 240 CO 0.13 0.62 0.00 0.41 0.02 0.00 0.00 175.26 176.45 3a7h n GLY 241 N 1.17 0.74 2.94 -1.39 0.00 -1.26 -4.91 105.19 102.48 3a7h n GLY 241 Ca -0.13 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3a7h n GLY 241 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a7h n ASN 242 N 1.24 4.60 -4.49 1.61 5.15 -1.26 -4.92 115.26 117.19 3a7h n ASN 242 Ca 0.00 -2.97 -0.24 0.00 -0.60 0.00 0.00 54.58 50.77 3a7h n ASN 242 Cb 0.00 -1.59 -0.10 0.00 -0.53 0.00 0.00 39.78 37.57 3a7h n ASN 242 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3a7h s TYR 243 N 2.01 2.33 0.78 1.20 1.51 -1.26 -5.11 117.35 118.80 3a7h s TYR 243 Ca 0.44 -0.33 -0.13 0.00 -1.01 0.00 0.00 57.07 56.04 3a7h s TYR 243 Cb 0.10 -1.02 0.07 0.00 -0.11 0.00 0.00 41.96 40.99 3a7h s TYR 243 CO -0.03 0.71 1.17 -1.54 -1.11 0.00 0.00 175.55 174.75 3a7h s SER 244 N -3.53 3.90 0.20 2.29 1.04 -1.26 -4.83 113.70 111.51 3a7h s SER 244 Ca 0.30 2.24 -0.11 0.00 0.48 0.00 0.00 55.95 58.86 3a7h s SER 244 Cb -0.05 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.63 3a7h s SER 244 CO 0.15 -2.45 1.87 0.50 0.98 0.00 0.00 173.24 174.29 3a7h h LYS 245 N -0.82 0.91 -0.92 4.02 3.64 -1.99 -2.12 116.57 119.29 3a7h h LYS 245 Ca -0.46 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3a7h h LYS 245 Cb 1.28 -0.21 -0.05 0.00 -0.41 0.00 0.00 32.23 32.84 3a7h h LYS 245 CO 0.48 0.60 0.60 -1.35 -2.27 0.00 0.00 179.45 177.51 3a7h h PRO 246 N 0.94 1.15 -0.29 1.90 0.11 -1.97 -0.04 132.00 133.81 3a7h h PRO 246 Ca 0.26 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 3a7h h PRO 246 Cb -0.10 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.73 3a7h h PRO 246 CO -0.06 0.76 0.17 1.25 -0.21 0.00 0.00 178.00 179.92 3a7h h LEU 247 N 1.19 0.34 -1.19 2.35 5.85 -1.81 0.11 115.31 122.15 3a7h h LEU 247 Ca 0.35 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 3a7h h LEU 247 Cb -0.05 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3a7h h LEU 247 CO -0.10 0.29 0.33 0.11 -0.34 0.00 0.00 178.44 178.73 3a7h h LYS 248 N 0.37 0.88 -0.07 1.25 1.57 -1.04 -1.72 116.57 117.81 3a7h h LYS 248 Ca 0.10 -0.10 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 3a7h h LYS 248 Cb 0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3a7h h LYS 248 CO -0.02 0.67 -0.62 0.93 -0.57 0.00 0.00 179.45 179.84 3a7h h GLU 249 N 0.89 0.24 -0.11 3.15 5.08 -0.58 -1.73 114.58 121.52 3a7h h GLU 249 Ca 0.22 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3a7h h GLU 249 Cb 0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3a7h h GLU 249 CO -0.03 0.78 0.06 0.35 -1.00 0.00 0.00 179.01 179.17 3a7h h PHE 250 N 0.18 0.15 -0.67 4.33 3.04 -0.38 0.91 116.94 124.50 3a7h h PHE 250 Ca -0.01 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.95 3a7h h PHE 250 Cb 1.13 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 39.56 3a7h h PHE 250 CO 0.02 0.19 0.44 0.28 -2.02 0.00 0.00 178.31 177.22 3a7h h VAL 251 N 0.07 1.16 -0.86 1.41 2.07 -1.22 -2.38 116.25 116.49 3a7h h VAL 251 Ca 0.04 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3a7h h VAL 251 Cb 0.09 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 3a7h h VAL 251 CO -0.01 0.16 0.47 -0.33 0.02 0.00 0.00 177.57 177.89 3a7h h GLU 252 N 0.89 1.20 -0.62 1.57 5.08 -0.78 -0.25 114.58 121.66 3a7h h GLU 252 Ca 0.25 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3a7h h GLU 252 Cb -0.08 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.90 3a7h h GLU 252 CO -0.06 0.88 0.39 0.00 -1.00 0.00 0.00 179.01 179.22 3a7h h ALA 253 N 1.25 0.80 -0.29 3.43 0.00 -0.50 -2.73 119.26 121.22 3a7h h ALA 253 Ca 0.30 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 3a7h h ALA 253 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3a7h h ALA 253 CO -0.05 0.16 -0.52 0.00 0.00 0.00 0.00 179.25 178.84 3a7h n LEU 255 N -4.01 7.40 -4.68 0.00 4.77 -0.12 -4.06 117.00 116.30 3a7h n LEU 255 Ca -0.04 -4.86 -0.35 0.00 -0.03 0.00 0.00 56.01 50.73 3a7h n LEU 255 Cb 0.61 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 40.23 3a7h n LEU 255 CO 0.50 1.79 -0.21 0.21 -1.33 0.00 0.00 177.39 178.35 3a7h s ASN 256 N 0.26 5.95 0.62 -1.43 3.84 -1.25 -4.70 114.94 118.23 3a7h s ASN 256 Ca 0.46 0.14 0.35 0.00 0.21 0.00 0.00 52.86 54.03 3a7h s ASN 256 Cb 0.14 -2.04 2.01 0.00 -0.55 0.00 0.00 41.25 40.81 3a7h s ASN 256 CO -0.05 0.15 2.26 0.11 -2.79 0.00 0.00 177.10 176.78 3a7h h LYS 257 N 6.86 0.00 -4.92 0.43 1.79 -1.95 -3.38 116.57 115.40 3a7h h LYS 257 Ca -0.39 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.41 3a7h h LYS 257 Cb 1.16 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.64 3a7h h LYS 257 CO 0.72 0.00 -0.29 -2.00 -1.08 0.00 0.00 179.45 176.80 3a7h s GLU 258 N -4.43 3.49 0.23 3.15 2.56 -1.26 -4.85 118.70 117.60 3a7h s GLU 258 Ca -0.05 -0.48 -0.06 0.00 0.00 0.00 0.00 54.97 54.38 3a7h s GLU 258 Cb 0.14 -3.83 0.33 0.00 2.00 0.00 0.00 34.13 32.78 3a7h s GLU 258 CO 0.48 -0.56 1.82 -1.35 -0.56 0.00 0.00 175.26 175.09 3a7h h PRO 259 N 8.50 0.81 0.00 4.30 0.11 -1.95 -1.35 132.00 142.41 3a7h h PRO 259 Ca -0.29 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3a7h h PRO 259 Cb 1.14 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3a7h h PRO 259 CO 0.70 0.53 0.00 -1.13 -0.21 0.00 0.00 178.00 177.90 3a7h n SER 260 N -4.71 0.02 -0.25 -2.05 3.41 -1.26 -1.62 113.62 107.16 3a7h n SER 260 Ca 0.12 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3a7h n SER 260 Cb 0.21 -0.51 0.24 0.00 -0.26 0.00 0.00 64.21 63.89 3a7h n SER 260 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3a7h n PHE 261 N -1.52 0.00 -2.77 7.33 3.72 -0.51 -4.85 117.46 118.85 3a7h n PHE 261 Ca 0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 3a7h n PHE 261 Cb 0.11 -0.11 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 3a7h n PHE 261 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3a7h s ARG 262 N -2.61 4.82 0.84 -1.08 0.52 -0.64 -5.00 118.95 115.79 3a7h s ARG 262 Ca 0.20 1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 56.75 3a7h s ARG 262 Cb 0.18 -3.29 0.09 0.00 0.52 0.00 0.00 34.95 32.46 3a7h s ARG 262 CO 0.58 0.49 1.09 -1.25 0.02 0.00 0.00 175.30 176.23 3a7h s PRO 263 N -1.04 1.76 0.79 3.54 0.04 -1.26 -5.04 135.00 133.79 3a7h s PRO 263 Ca 0.41 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 62.22 3a7h s PRO 263 Cb -0.25 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.49 3a7h s PRO 263 CO 0.31 -1.91 1.14 0.95 0.04 0.00 0.00 177.00 177.53 3a7h s THR 264 N -2.97 2.52 0.31 1.26 -4.23 -1.26 -4.89 115.64 106.38 3a7h s THR 264 Ca 0.62 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.32 3a7h s THR 264 Cb -0.17 -3.11 0.15 0.00 1.34 0.00 0.00 72.50 70.71 3a7h s THR 264 CO 0.56 -0.22 1.85 0.00 -0.54 0.00 0.00 174.62 176.27 3a7h h ALA 265 N -1.00 1.30 -0.61 3.99 0.00 -1.92 -2.12 119.26 118.89 3a7h h ALA 265 Ca -0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3a7h h ALA 265 Cb 1.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3a7h h ALA 265 CO 0.64 0.48 0.35 -0.22 0.00 0.00 0.00 179.25 180.50 3a7h h LYS 266 N 0.61 0.84 -0.38 0.00 3.64 -1.93 -1.90 116.57 117.45 3a7h h LYS 266 Ca 0.13 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 3a7h h LYS 266 Cb 0.33 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3a7h h LYS 266 CO 0.01 0.62 -0.29 0.93 -2.27 0.00 0.00 179.45 178.45 3a7h h GLU 267 N 0.82 0.82 0.00 1.90 4.39 -1.86 -2.63 114.58 118.02 3a7h h GLU 267 Ca 0.22 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 3a7h h GLU 267 Cb 0.01 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3a7h h GLU 267 CO -0.04 1.00 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.66 3a7h h LEU 268 N 0.70 0.00 -2.77 1.33 3.38 -1.17 0.15 115.31 116.93 3a7h h LEU 268 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3a7h h LEU 268 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3a7h h LEU 268 CO 0.07 0.09 0.07 -0.07 0.09 0.00 0.00 178.44 178.69 3a7h h LEU 269 N 0.00 0.00 -2.97 1.67 3.38 -0.95 -1.18 115.31 115.26 3a7h h LEU 269 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a7h h LEU 269 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3a7h h LEU 269 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 3a7h n LYS 270 N -3.08 2.97 -1.99 1.13 5.02 0.52 -4.66 118.16 118.07 3a7h n LYS 270 Ca -0.03 -2.35 -0.39 0.00 -2.02 0.00 0.00 58.31 53.52 3a7h n LYS 270 Cb 0.14 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3a7h n LYS 270 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3a7h s HIS 271 N -1.45 2.67 0.55 2.13 2.46 -0.45 -4.81 115.29 116.40 3a7h s HIS 271 Ca 0.32 1.39 0.25 0.00 0.47 0.00 0.00 55.06 57.49 3a7h s HIS 271 Cb 0.20 -3.70 1.48 0.00 -0.13 0.00 0.00 32.58 30.43 3a7h s HIS 271 CO 0.17 -2.30 2.07 1.57 -2.47 0.00 0.00 174.74 173.78 3a7h h LYS 272 N 2.31 0.00 -0.59 2.88 2.10 -1.94 -1.00 116.57 120.32 3a7h h LYS 272 Ca -0.50 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.11 3a7h h LYS 272 Cb 1.26 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 3a7h h LYS 272 CO 0.61 0.00 0.22 0.35 -2.00 0.00 0.00 179.45 178.63 3a7h h PHE 273 N 0.00 0.93 -0.16 0.07 3.57 -1.90 -1.05 116.94 118.40 3a7h h PHE 273 Ca 0.13 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3a7h h PHE 273 Cb 0.59 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3a7h h PHE 273 CO 0.00 0.75 -0.10 0.82 -2.23 0.00 0.00 178.31 177.56 3a7h h ILE 274 N 0.83 1.32 -0.67 1.41 1.08 -1.52 -2.74 117.51 117.22 3a7h h ILE 274 Ca 0.20 -1.17 -0.03 0.00 -0.39 0.00 0.00 64.86 63.46 3a7h h ILE 274 Cb 0.24 1.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 3a7h h ILE 274 CO -0.01 0.35 0.30 -0.07 -0.69 0.00 0.00 178.15 178.03 3a7h h LEU 275 N 0.01 0.90 -0.20 1.44 3.38 -1.15 -0.82 115.31 118.87 3a7h h LEU 275 Ca 0.03 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3a7h h LEU 275 Cb 0.59 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3a7h h LEU 275 CO 0.03 0.80 -0.38 0.03 0.09 0.00 0.00 178.44 179.01 3a7h h ARG 276 N 0.94 0.00 0.00 1.13 3.08 -1.30 -3.40 114.38 114.83 3a7h h ARG 276 Ca 0.23 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 3a7h h ARG 276 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3a7h h ARG 276 CO -0.02 0.38 -1.34 0.09 -1.07 0.00 0.00 179.97 178.00 3a7h n ASN 277 N -3.24 3.73 -4.77 7.04 4.13 -1.03 -5.04 115.26 116.08 3a7h n ASN 277 Ca 0.02 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.89 3a7h n ASN 277 Cb 0.65 0.69 0.01 0.00 -1.54 0.00 0.00 39.78 39.59 3a7h n ASN 277 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a7h s ALA 278 N -2.15 3.21 0.02 5.41 0.00 -0.33 -4.62 121.76 123.30 3a7h s ALA 278 Ca -0.02 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3a7h s ALA 278 Cb 0.02 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 3a7h s ALA 278 CO 0.21 -0.99 0.01 1.63 0.00 0.00 0.00 175.76 176.62 3a7h n LYS 279 N -0.10 0.84 -2.32 0.00 5.02 -1.26 -4.96 118.16 115.39 3a7h n LYS 279 Ca 0.05 -0.18 -0.36 0.00 -2.02 0.00 0.00 58.31 55.80 3a7h n LYS 279 Cb 0.43 0.10 -0.01 0.00 -0.02 0.00 0.00 35.03 35.53 3a7h n LYS 279 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a7h s LYS 280 N -2.08 3.63 0.44 1.97 1.02 -1.26 -4.87 119.74 118.59 3a7h s LYS 280 Ca 0.01 1.63 0.12 0.00 0.02 0.00 0.00 55.97 57.76 3a7h s LYS 280 Cb 0.00 -2.21 0.98 0.00 -0.52 0.00 0.00 37.83 36.08 3a7h s LYS 280 CO 0.01 -0.62 2.02 1.79 -0.92 0.00 0.00 175.35 177.62 3a7h h THR 281 N 1.58 1.11 -0.02 2.17 1.35 -1.93 -2.18 112.91 114.99 3a7h h THR 281 Ca -0.50 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3a7h h THR 281 Cb 1.25 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3a7h h THR 281 CO 0.59 0.14 0.09 0.77 -0.25 0.00 0.00 175.52 176.86 3a7h h SER 282 N 0.15 0.00 0.50 5.36 4.64 -1.84 0.50 113.55 122.87 3a7h h SER 282 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 3a7h h SER 282 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3a7h h SER 282 CO 0.01 0.00 -0.10 1.88 -0.87 0.00 0.00 176.83 177.75 3a7h h TYR 283 N 0.00 0.00 0.00 4.77 0.05 -1.70 -2.23 116.97 117.86 3a7h h TYR 283 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3a7h h TYR 283 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 3a7h h TYR 283 CO 0.00 0.10 0.00 1.28 -1.05 0.00 0.00 178.16 178.49 3a7h n LEU 284 N -3.45 0.00 0.10 3.88 4.77 0.18 -3.41 117.00 119.06 3a7h n LEU 284 Ca -0.01 0.37 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 3a7h n LEU 284 Cb 0.25 -0.37 0.47 0.00 -2.33 0.00 0.00 43.42 41.44 3a7h n LEU 284 CO 0.29 -0.13 1.07 0.71 -1.33 0.00 0.00 177.39 177.99 3a7h h THR 285 N 0.00 1.09 0.23 -5.08 1.35 -1.57 -1.23 112.91 107.71 3a7h h THR 285 Ca 0.00 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 3a7h h THR 285 Cb 0.24 0.80 -0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3a7h h THR 285 CO 0.00 0.11 -0.15 -0.08 -0.25 0.00 0.00 175.52 175.15 3a7h h GLU 286 N 0.33 -0.36 -0.91 4.72 4.57 -1.80 0.61 114.58 121.74 3a7h h GLU 286 Ca 0.08 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 3a7h h GLU 286 Cb 0.06 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 3a7h h GLU 286 CO -0.01 -0.24 0.59 1.25 -1.18 0.00 0.00 179.01 179.42 3a7h h LEU 287 N -0.37 0.86 -0.37 1.64 5.85 -1.64 0.14 115.31 121.41 3a7h h LEU 287 Ca -0.02 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3a7h h LEU 287 Cb 0.31 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3a7h h LEU 287 CO 0.02 0.52 -0.11 0.40 -0.34 0.00 0.00 178.44 178.93 3a7h h ILE 288 N 0.95 1.28 -0.05 4.05 2.04 -0.22 -2.86 117.51 122.71 3a7h h ILE 288 Ca 0.41 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 3a7h h ILE 288 Cb 0.34 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3a7h h ILE 288 CO -0.17 0.40 -0.36 0.44 0.00 0.00 0.00 178.15 178.45 3a7h h ASP 289 N 0.53 0.09 -0.48 1.72 3.32 0.15 -2.52 116.42 119.24 3a7h h ASP 289 Ca 0.09 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3a7h h ASP 289 Cb 0.63 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3a7h h ASP 289 CO 0.04 0.45 0.05 -0.09 -1.72 0.00 0.00 179.24 177.97 3a7h h ARG 290 N 0.08 0.87 -0.19 3.56 2.43 -0.67 -2.44 114.38 118.02 3a7h h ARG 290 Ca 0.01 -0.22 -0.11 0.00 -0.81 0.00 0.00 59.98 58.84 3a7h h ARG 290 Cb 0.68 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3a7h h ARG 290 CO 0.05 0.84 -0.37 -0.92 -1.51 0.00 0.00 179.97 178.06 3a7h h TYR 291 N 0.82 0.49 -0.23 2.20 3.20 -1.23 -1.54 116.97 120.66 3a7h h TYR 291 Ca 0.16 -0.13 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 3a7h h TYR 291 Cb 0.42 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3a7h h TYR 291 CO 0.02 0.73 -0.51 0.87 -1.64 0.00 0.00 178.16 177.64 3a7h h LYS 292 N 0.35 0.66 -0.47 1.82 1.57 -1.19 -0.03 116.57 119.28 3a7h h LYS 292 Ca 0.04 -0.40 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 3a7h h LYS 292 Cb 0.81 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 3a7h h LYS 292 CO 0.07 1.01 -0.18 0.00 -0.57 0.00 0.00 179.45 179.78 3a7h h ARG 293 N 0.51 0.96 -0.47 3.15 3.08 -1.35 0.15 114.38 120.41 3a7h h ARG 293 Ca 0.02 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 3a7h h ARG 293 Cb 1.07 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3a7h h ARG 293 CO 0.10 1.06 0.12 2.35 -1.07 0.00 0.00 179.97 182.53 3a7h h TRP 294 N 0.80 0.78 -0.40 3.04 7.01 -1.16 -2.57 115.95 123.45 3a7h h TRP 294 Ca 0.11 -0.09 -0.07 0.00 2.11 0.00 0.00 58.89 60.96 3a7h h TRP 294 Cb 0.75 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 3a7h h TRP 294 CO 0.05 0.71 -0.02 -0.22 -2.79 0.00 0.00 178.44 176.16 3a7h h LYS 295 N 0.62 0.66 -0.18 2.65 3.64 -0.73 -1.49 116.57 121.74 3a7h h LYS 295 Ca 0.15 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3a7h h LYS 295 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3a7h h LYS 295 CO 0.00 0.69 0.13 0.00 -2.27 0.00 0.00 179.45 178.00 3a7h h ALA 296 N 1.36 2.04 -0.32 5.00 0.00 -0.55 -2.38 119.26 124.40 3a7h h ALA 296 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3a7h h ALA 296 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3a7h h ALA 296 CO 0.02 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.59 3a7h n GLU 297 N -4.50 2.05 0.00 0.00 -0.58 -0.57 -5.11 120.64 111.92 3a7h n GLU 297 Ca 0.01 -1.59 0.13 0.00 -0.42 0.00 0.00 57.16 55.29 3a7h n GLU 297 Cb 0.19 -1.42 0.38 0.00 -0.57 0.00 0.00 31.44 30.02 3a7h n GLU 297 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69