#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vfs s THR 4 N 0.00 3.95 -0.04 3.84 -1.32 -1.26 -5.03 115.64 115.78 1vfs s THR 4 Ca 0.00 -0.39 -0.04 0.00 -1.21 0.00 0.00 61.69 60.05 1vfs s THR 4 Cb 0.00 -2.88 -0.02 0.00 -1.51 0.00 0.00 72.50 68.10 1vfs s THR 4 CO 0.00 0.30 0.12 -2.65 -2.21 0.00 0.00 174.62 170.19 1vfs n PRO 5 N 4.87 0.00 0.00 7.08 -0.02 -1.26 -4.86 135.00 140.81 1vfs n PRO 5 Ca -0.16 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.44 1vfs n PRO 5 Cb 0.50 -0.12 0.31 0.00 -0.02 0.00 0.00 33.50 34.18 1vfs n PRO 5 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1vfs n THR 6 N 0.32 0.00 -0.01 3.45 -2.24 -1.26 -4.58 114.28 109.96 1vfs n THR 6 Ca 0.02 -0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1vfs n THR 6 Cb -0.00 0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1vfs n THR 6 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1vfs n ARG 7 N -1.48 0.08 -3.63 -0.78 0.63 -1.26 -4.45 116.66 105.76 1vfs n ARG 7 Ca 0.06 0.03 -0.16 0.00 -0.92 0.00 0.00 57.85 56.86 1vfs n ARG 7 Cb 0.34 -0.52 -0.07 0.00 0.45 0.00 0.00 32.46 32.65 1vfs n ARG 7 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1vfs s VAL 8 N -1.33 0.03 0.01 5.15 0.11 -1.26 -1.39 120.40 121.71 1vfs s VAL 8 Ca -0.04 -0.22 -0.28 0.00 -2.93 0.00 0.00 61.98 58.51 1vfs s VAL 8 Cb 0.01 -0.82 0.09 0.00 -1.53 0.00 0.00 36.38 34.13 1vfs s VAL 8 CO 0.06 -0.12 0.76 -0.72 -3.33 0.00 0.00 175.10 171.75 1vfs s TYR 9 N -1.22 -0.49 -0.24 1.54 1.13 -0.64 -4.28 117.35 113.15 1vfs s TYR 9 Ca -0.12 0.55 -0.06 0.00 -1.41 0.00 0.00 57.07 56.03 1vfs s TYR 9 Cb -0.02 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.31 1vfs s TYR 9 CO 0.07 -0.62 0.04 0.00 -2.51 0.00 0.00 175.55 172.53 1vfs s ALA 10 N -2.50 3.08 -0.25 9.51 0.00 0.13 -1.87 121.76 129.86 1vfs s ALA 10 Ca -0.01 -1.13 -0.13 0.00 0.00 0.00 0.00 51.96 50.69 1vfs s ALA 10 Cb -0.01 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1vfs s ALA 10 CO -0.04 -0.45 0.28 -2.00 0.00 0.00 0.00 175.76 173.55 1vfs s GLU 11 N 1.54 4.04 -0.25 0.00 2.12 -0.64 0.46 118.70 125.97 1vfs s GLU 11 Ca 0.06 -0.10 -0.08 0.00 0.36 0.00 0.00 54.97 55.22 1vfs s GLU 11 Cb -0.15 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 1vfs s GLU 11 CO 0.02 -0.12 0.09 0.42 -0.54 0.00 0.00 175.26 175.12 1vfs s ILE 12 N 1.59 4.45 -0.65 -3.70 -1.09 0.24 -1.74 121.20 120.30 1vfs s ILE 12 Ca 0.12 -0.12 -0.22 0.00 -2.23 0.00 0.00 60.65 58.19 1vfs s ILE 12 Cb -0.15 -3.09 0.07 0.00 -1.58 0.00 0.00 42.46 37.72 1vfs s ILE 12 CO 0.08 0.33 0.95 -0.62 -1.23 0.00 0.00 174.94 174.45 1vfs s ASP 13 N 1.61 6.18 0.58 3.58 -1.08 0.14 -0.70 116.67 126.97 1vfs s ASP 13 Ca 0.06 -1.01 0.34 0.00 -0.52 0.00 0.00 52.55 51.42 1vfs s ASP 13 Cb -0.15 -2.41 1.74 0.00 -1.46 0.00 0.00 42.92 40.64 1vfs s ASP 13 CO 0.05 -1.42 2.15 -0.07 0.52 0.00 0.00 175.17 176.40 1vfs h LEU 14 N 11.26 0.00 -0.54 -1.34 4.07 -0.85 -2.16 115.31 125.75 1vfs h LEU 14 Ca -0.29 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.51 1vfs h LEU 14 Cb 1.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 1vfs h LEU 14 CO 1.18 0.05 -0.71 0.44 -1.08 0.00 0.00 178.44 178.32 1vfs h ASP 15 N 0.00 0.17 -0.23 -0.43 3.32 -1.88 -2.45 116.42 114.92 1vfs h ASP 15 Ca -0.00 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 1vfs h ASP 15 Cb 0.26 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1vfs h ASP 15 CO 0.01 0.82 -0.31 0.00 -1.72 0.00 0.00 179.24 178.03 1vfs h ALA 16 N 1.18 0.80 0.25 3.45 0.00 -1.73 -1.78 119.26 121.44 1vfs h ALA 16 Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1vfs h ALA 16 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1vfs h ALA 16 CO 0.10 0.65 -0.12 0.28 0.00 0.00 0.00 179.25 180.16 1vfs h VAL 17 N 0.63 0.79 -0.72 0.00 2.07 -1.37 -1.56 116.25 116.09 1vfs h VAL 17 Ca 0.07 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1vfs h VAL 17 Cb 0.84 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1vfs h VAL 17 CO 0.07 0.05 0.39 -0.09 0.02 0.00 0.00 177.57 178.01 1vfs h ARG 18 N -0.46 0.66 -0.83 1.57 2.43 -1.41 -2.05 114.38 114.29 1vfs h ARG 18 Ca -0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1vfs h ARG 18 Cb 0.35 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1vfs h ARG 18 CO 0.06 0.44 0.45 0.00 -1.51 0.00 0.00 179.97 179.40 1vfs h ALA 19 N 1.40 1.22 -0.16 2.80 0.00 -1.16 -1.95 119.26 121.41 1vfs h ALA 19 Ca 0.34 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1vfs h ALA 19 Cb 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vfs h ALA 19 CO -0.23 0.62 -0.29 -0.91 0.00 0.00 0.00 179.25 178.45 1vfs h ASN 20 N 1.17 0.54 -0.07 0.00 2.35 -0.63 0.56 115.58 119.49 1vfs h ASN 20 Ca 0.29 -0.54 -0.07 0.00 -0.55 0.00 0.00 56.30 55.43 1vfs h ASN 20 Cb 0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1vfs h ASN 20 CO -0.05 0.98 -0.14 1.62 -1.65 0.00 0.00 177.43 178.19 1vfs h VAL 21 N 0.12 1.22 -0.47 2.81 3.04 -1.37 0.51 116.25 122.12 1vfs h VAL 21 Ca 0.01 -0.99 -0.12 0.00 -1.01 0.00 0.00 66.70 64.59 1vfs h VAL 21 Cb 0.88 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 1vfs h VAL 21 CO 0.07 0.32 -0.18 0.03 -1.01 0.00 0.00 177.57 176.80 1vfs h ARG 22 N 0.39 0.92 -0.28 4.17 3.08 -1.21 -0.77 114.38 120.67 1vfs h ARG 22 Ca 0.07 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.61 1vfs h ARG 22 Cb 0.48 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1vfs h ARG 22 CO 0.03 1.02 -0.42 0.00 -1.07 0.00 0.00 179.97 179.52 1vfs h ALA 23 N 0.98 0.73 -0.37 0.04 0.00 0.17 -2.99 119.26 117.82 1vfs h ALA 23 Ca 0.12 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1vfs h ALA 23 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1vfs h ALA 23 CO 0.06 0.66 -0.23 -0.07 0.00 0.00 0.00 179.25 179.67 1vfs h LEU 24 N 0.57 0.74 -0.97 0.00 3.38 0.25 -2.95 115.31 116.33 1vfs h LEU 24 Ca 0.04 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1vfs h LEU 24 Cb 0.96 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1vfs h LEU 24 CO 0.09 0.95 -0.09 0.03 0.09 0.00 0.00 178.44 179.51 1vfs h ARG 25 N 0.64 0.65 0.00 1.13 3.08 -1.09 -1.52 114.38 117.27 1vfs h ARG 25 Ca 0.09 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1vfs h ARG 25 Cb 0.73 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1vfs h ARG 25 CO 0.06 0.73 0.00 0.00 -1.07 0.00 0.00 179.97 179.69 1vfs h ALA 26 N 1.31 1.00 0.00 0.04 0.00 -1.37 -2.38 119.26 117.86 1vfs h ALA 26 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1vfs h ALA 26 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1vfs h ALA 26 CO 0.03 0.00 -1.36 -0.09 0.00 0.00 0.00 179.25 177.83 1vfs h ARG 27 N 0.00 0.00 -2.11 0.00 9.65 -1.24 -3.38 114.38 117.30 1vfs h ARG 27 Ca 0.00 0.00 -0.57 0.00 -1.10 0.00 0.00 59.98 58.31 1vfs h ARG 27 Cb 0.24 0.00 -0.41 0.00 -1.39 0.00 0.00 29.97 28.41 1vfs h ARG 27 CO 0.00 0.69 -0.84 0.00 2.80 0.00 0.00 179.97 182.61 1vfs n ALA 28 N -2.45 3.34 -0.16 2.80 0.00 -0.92 -4.97 120.51 118.15 1vfs n ALA 28 Ca -0.09 -4.13 0.12 0.00 0.00 0.00 0.00 53.44 49.34 1vfs n ALA 28 Cb 0.98 -0.85 0.45 0.00 0.00 0.00 0.00 19.45 20.03 1vfs n ALA 28 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1vfs h PRO 29 N 3.87 0.52 -0.79 0.00 0.13 -1.70 -2.82 132.00 131.21 1vfs h PRO 29 Ca 0.14 -0.03 -0.20 0.00 -0.87 0.00 0.00 66.00 65.03 1vfs h PRO 29 Cb 0.75 -0.12 -0.12 0.00 0.13 0.00 0.00 31.00 31.64 1vfs h PRO 29 CO 0.67 0.34 0.26 0.54 -0.23 0.00 0.00 178.00 179.58 1vfs n ARG 30 N -4.49 3.45 -4.07 0.86 3.00 -1.26 -4.93 116.66 109.22 1vfs n ARG 30 Ca 0.12 -2.76 -0.07 0.00 -0.01 0.00 0.00 57.85 55.13 1vfs n ARG 30 Cb 0.40 -2.13 -0.10 0.00 0.00 0.00 0.00 32.46 30.63 1vfs n ARG 30 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1vfs s SER 31 N -0.85 0.46 0.48 0.55 0.01 -1.07 -4.82 113.70 108.47 1vfs s SER 31 Ca 0.50 -0.91 -0.13 0.00 1.31 0.00 0.00 55.95 56.72 1vfs s SER 31 Cb 0.40 0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.74 1vfs s SER 31 CO 0.12 -0.54 0.89 0.00 0.41 0.00 0.00 173.24 174.12 1vfs s ALA 32 N -3.46 3.21 -0.16 1.44 0.00 0.15 -4.93 121.76 118.01 1vfs s ALA 32 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1vfs s ALA 32 Cb 0.05 -2.91 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1vfs s ALA 32 CO -0.08 -0.22 -0.09 -1.17 0.00 0.00 0.00 175.76 174.20 1vfs s LEU 33 N -4.19 2.86 -0.28 0.00 1.98 -1.26 -1.98 118.68 115.82 1vfs s LEU 33 Ca 0.54 -0.31 -0.08 0.00 -2.89 0.00 0.00 54.13 51.39 1vfs s LEU 33 Cb -0.10 -1.68 -0.02 0.00 0.66 0.00 0.00 46.19 45.05 1vfs s LEU 33 CO 0.35 0.11 0.10 -0.32 -1.89 0.00 0.00 176.35 174.70 1vfs s MET 34 N 0.72 3.47 -0.21 1.98 -2.45 -0.13 -2.02 119.30 120.66 1vfs s MET 34 Ca -0.04 -0.61 -0.24 0.00 -1.25 0.00 0.00 55.69 53.55 1vfs s MET 34 Cb -0.15 -3.42 -0.01 0.00 1.25 0.00 0.00 34.83 32.50 1vfs s MET 34 CO 0.02 -0.30 0.79 0.00 1.05 0.00 0.00 175.02 176.58 1vfs s ALA 35 N 1.60 3.59 -0.37 4.11 0.00 -0.85 -1.61 121.76 128.23 1vfs s ALA 35 Ca 0.05 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 1vfs s ALA 35 Cb -0.16 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1vfs s ALA 35 CO 0.05 -0.79 0.62 0.08 0.00 0.00 0.00 175.76 175.72 1vfs s VAL 36 N 2.49 4.90 -0.21 0.00 1.01 -0.44 -1.02 120.40 127.12 1vfs s VAL 36 Ca 0.35 0.47 0.13 0.00 0.00 0.00 0.00 61.98 62.92 1vfs s VAL 36 Cb -0.16 -4.08 0.43 0.00 0.00 0.00 0.00 36.38 32.57 1vfs s VAL 36 CO 0.09 -0.35 1.30 1.33 0.00 0.00 0.00 175.10 177.47 1vfs n VAL 37 N 5.61 2.24 -1.09 2.92 0.24 -0.11 -4.65 118.33 123.50 1vfs n VAL 37 Ca -0.02 -2.75 -0.29 0.00 -2.04 0.00 0.00 64.34 59.24 1vfs n VAL 37 Cb 0.48 -0.26 0.16 0.00 -1.47 0.00 0.00 33.84 32.75 1vfs n VAL 37 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1vfs s LYS 38 N -3.12 0.76 -1.32 7.34 -2.85 -1.22 -1.23 119.74 118.10 1vfs s LYS 38 Ca 0.39 0.78 -0.03 0.00 -1.00 0.00 0.00 55.97 56.12 1vfs s LYS 38 Cb 0.36 -1.75 0.01 0.00 -2.06 0.00 0.00 37.83 34.39 1vfs s LYS 38 CO -0.01 -2.57 0.83 0.43 0.10 0.00 0.00 175.35 174.13 1vfs n SER 39 N -4.10 -2.18 -3.73 0.03 7.64 -1.26 -1.86 113.62 108.16 1vfs n SER 39 Ca 0.06 -0.76 -0.23 0.00 1.01 0.00 0.00 58.87 58.96 1vfs n SER 39 Cb 0.55 -4.31 0.02 0.00 -1.01 0.00 0.00 64.21 59.47 1vfs n SER 39 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1vfs n ASN 40 N -3.04 -1.46 -3.73 6.43 5.15 -1.25 -1.83 115.26 115.53 1vfs n ASN 40 Ca -0.23 -0.87 -0.23 0.00 -0.60 0.00 0.00 54.58 52.66 1vfs n ASN 40 Cb 0.65 -3.85 0.03 0.00 -0.53 0.00 0.00 39.78 36.07 1vfs n ASN 40 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vfs n ALA 41 N -4.26 -1.91 -3.90 5.20 0.00 -0.36 -1.28 120.51 114.00 1vfs n ALA 41 Ca -0.28 -0.12 -0.29 0.00 0.00 0.00 0.00 53.44 52.75 1vfs n ALA 41 Cb 0.67 -2.30 0.03 0.00 0.00 0.00 0.00 19.45 17.84 1vfs n ALA 41 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1vfs n TYR 42 N -4.34 -2.25 -0.98 0.00 4.02 -0.76 -1.10 117.16 111.74 1vfs n TYR 42 Ca -0.25 0.90 0.00 0.00 -0.01 0.00 0.00 57.90 58.54 1vfs n TYR 42 Cb 0.66 -4.01 0.00 0.00 -0.02 0.00 0.00 39.34 35.97 1vfs n TYR 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vfs n GLY 43 N -1.68 0.79 0.07 2.72 0.00 -0.41 -3.51 105.19 103.17 1vfs n GLY 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1vfs n GLY 43 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vfs n HIS 44 N -2.40 0.57 0.00 1.61 8.25 -0.26 -4.93 115.22 118.06 1vfs n HIS 44 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1vfs n HIS 44 Cb 0.00 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.39 1vfs n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vfs n GLY 45 N 1.25 1.95 0.32 -1.41 0.00 -0.46 -4.87 105.19 101.98 1vfs n GLY 45 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1vfs n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs h ALA 46 N 0.00 -0.44 0.24 4.61 0.00 -1.85 -2.39 119.26 119.44 1vfs h ALA 46 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1vfs h ALA 46 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1vfs h ALA 46 CO 0.00 -0.82 -0.12 0.28 0.00 0.00 0.00 179.25 178.60 1vfs h VAL 47 N -0.46 0.82 -0.83 0.00 2.07 -1.94 0.12 116.25 116.03 1vfs h VAL 47 Ca 0.06 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1vfs h VAL 47 Cb 0.54 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1vfs h VAL 47 CO -0.26 0.09 0.55 -0.65 0.02 0.00 0.00 177.57 177.32 1vfs h PRO 48 N -0.54 0.99 0.02 1.57 0.11 -1.71 0.88 132.00 133.32 1vfs h PRO 48 Ca -0.03 -0.06 -0.26 0.00 0.11 0.00 0.00 66.00 65.76 1vfs h PRO 48 Cb 0.40 -0.22 0.02 0.00 0.11 0.00 0.00 31.00 31.30 1vfs h PRO 48 CO 0.05 0.65 -1.05 0.00 -0.21 0.00 0.00 178.00 177.45 1vfs h ALA 50 N 0.48 0.62 -0.39 0.00 0.00 -0.35 -0.41 119.26 119.22 1vfs h ALA 50 Ca -0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1vfs h ALA 50 Cb 1.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1vfs h ALA 50 CO 0.20 0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.83 1vfs h ARG 51 N 0.63 0.58 -0.27 0.00 3.08 -0.84 -2.06 114.38 115.51 1vfs h ARG 51 Ca 0.16 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1vfs h ARG 51 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1vfs h ARG 51 CO -0.01 0.56 0.11 0.00 -1.07 0.00 0.00 179.97 179.56 1vfs h ALA 52 N 0.99 0.35 -0.51 0.04 0.00 -1.00 -2.26 119.26 116.86 1vfs h ALA 52 Ca 0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1vfs h ALA 52 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1vfs h ALA 52 CO -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 1vfs h ALA 53 N 0.95 1.03 0.30 0.00 0.00 -1.06 -1.76 119.26 118.72 1vfs h ALA 53 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1vfs h ALA 53 Cb 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1vfs h ALA 53 CO -0.01 0.60 -0.18 0.37 0.00 0.00 0.00 179.25 180.04 1vfs h GLN 54 N 0.80 -0.44 0.00 0.00 4.15 -1.27 -0.74 115.11 117.61 1vfs h GLN 54 Ca 0.15 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 1vfs h GLN 54 Cb 0.49 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1vfs h GLN 54 CO 0.02 -0.29 0.00 1.49 -1.93 0.00 0.00 178.83 178.12 1vfs h GLU 55 N -0.46 0.00 -0.00 1.69 4.22 -1.27 -1.57 114.58 117.19 1vfs h GLU 55 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.41 1vfs h GLU 55 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1vfs h GLU 55 CO 0.04 0.00 -0.39 0.00 -2.18 0.00 0.00 179.01 176.48 1vfs n ALA 56 N -1.94 3.29 0.00 2.92 0.00 -0.67 -4.92 120.51 119.18 1vfs n ALA 56 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1vfs n ALA 56 Cb 0.19 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1vfs n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 57 N 1.50 0.21 3.66 0.00 0.00 -0.59 -4.60 105.19 105.36 1vfs n GLY 57 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1vfs n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs s ALA 58 N -1.10 3.65 -0.35 4.61 0.00 -0.35 -4.75 121.76 123.47 1vfs s ALA 58 Ca 0.00 0.63 0.23 0.00 0.00 0.00 0.00 51.96 52.82 1vfs s ALA 58 Cb 0.00 -3.66 0.16 0.00 0.00 0.00 0.00 23.12 19.62 1vfs s ALA 58 CO 0.00 -1.24 1.28 0.00 0.00 0.00 0.00 175.76 175.80 1vfs h ALA 59 N 8.65 0.69 -2.45 0.00 0.00 -1.73 -3.41 119.26 121.01 1vfs h ALA 59 Ca -0.31 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.19 1vfs h ALA 59 Cb 1.13 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1vfs h ALA 59 CO 0.96 0.00 -0.74 -1.58 0.00 0.00 0.00 179.25 177.89 1vfs s TRP 60 N -3.29 1.51 -0.02 0.00 0.52 -1.05 -4.08 118.94 112.53 1vfs s TRP 60 Ca 0.03 -0.61 0.04 0.00 0.02 0.00 0.00 56.10 55.57 1vfs s TRP 60 Cb 0.08 -0.74 -0.00 0.00 -1.15 0.00 0.00 33.47 31.66 1vfs s TRP 60 CO 0.74 0.22 -0.13 -0.51 0.02 0.00 0.00 176.95 177.29 1vfs s LEU 61 N -3.00 1.93 -0.03 2.99 1.02 -0.20 -2.00 118.68 119.39 1vfs s LEU 61 Ca 0.17 -0.25 0.05 0.00 0.02 0.00 0.00 54.13 54.11 1vfs s LEU 61 Cb -0.01 -0.71 -0.01 0.00 0.02 0.00 0.00 46.19 45.48 1vfs s LEU 61 CO 0.04 0.13 -0.17 -0.83 0.02 0.00 0.00 176.35 175.54 1vfs s GLY 62 N -0.08 0.89 0.10 -3.19 0.00 -0.19 -0.61 107.32 104.24 1vfs s GLY 62 Ca 0.01 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.02 1vfs s GLY 62 CO 0.00 -0.48 -0.04 -0.51 0.00 0.00 0.00 173.10 172.07 1vfs s THR 63 N -0.18 0.54 -0.15 0.90 -4.23 -0.22 -0.93 115.64 111.38 1vfs s THR 63 Ca 0.01 -1.91 -0.26 0.00 -1.18 0.00 0.00 61.69 58.35 1vfs s THR 63 Cb -0.09 -1.74 -0.25 0.00 1.34 0.00 0.00 72.50 71.76 1vfs s THR 63 CO 0.01 -0.81 0.63 0.00 -0.54 0.00 0.00 174.62 173.91 1vfs h ALA 64 N 2.96 0.07 -2.30 3.99 0.00 -1.95 -3.22 119.26 118.81 1vfs h ALA 64 Ca -0.35 -0.72 -0.52 0.00 0.00 0.00 0.00 54.91 53.32 1vfs h ALA 64 Cb 1.17 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1vfs h ALA 64 CO 0.64 0.25 -0.53 0.95 0.00 0.00 0.00 179.25 180.56 1vfs s THR 65 N -2.29 4.45 0.20 0.00 -4.23 -1.26 0.31 115.64 112.83 1vfs s THR 65 Ca -0.21 -1.34 -0.10 0.00 -1.18 0.00 0.00 61.69 58.86 1vfs s THR 65 Cb -0.00 -3.38 0.15 0.00 1.34 0.00 0.00 72.50 70.61 1vfs s THR 65 CO 0.68 -0.30 1.84 -0.65 -0.54 0.00 0.00 174.62 175.65 1vfs h PRO 66 N 1.68 1.02 -0.85 3.99 0.11 -1.93 -2.36 132.00 133.66 1vfs h PRO 66 Ca -0.48 -0.10 0.07 0.00 0.11 0.00 0.00 66.00 65.60 1vfs h PRO 66 Cb 1.23 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 32.07 1vfs h PRO 66 CO 0.61 0.73 0.55 0.93 -0.21 0.00 0.00 178.00 180.61 1vfs h GLU 67 N 1.02 0.88 -0.34 1.05 3.07 -1.96 0.80 114.58 119.08 1vfs h GLU 67 Ca 0.27 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 58.93 1vfs h GLU 67 Cb -0.02 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 27.69 1vfs h GLU 67 CO -0.05 0.58 -0.35 0.93 -1.40 0.00 0.00 179.01 178.73 1vfs h GLU 68 N 0.90 0.84 -0.26 2.33 5.08 -1.85 -2.26 114.58 119.36 1vfs h GLU 68 Ca 0.37 -0.44 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1vfs h GLU 68 Cb 0.28 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1vfs h GLU 68 CO -0.14 1.08 -0.33 0.00 -1.00 0.00 0.00 179.01 178.63 1vfs h ALA 69 N 0.74 0.95 0.00 3.43 0.00 -0.99 -2.78 119.26 120.61 1vfs h ALA 69 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1vfs h ALA 69 Cb 0.93 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1vfs h ALA 69 CO 0.09 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.88 1vfs h LEU 70 N 0.47 0.00 -0.17 0.00 3.38 -0.80 -2.64 115.31 115.55 1vfs h LEU 70 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.80 1vfs h LEU 70 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1vfs h LEU 70 CO 0.06 0.00 -0.96 -0.08 0.09 0.00 0.00 178.44 177.56 1vfs h GLU 71 N 0.00 0.31 -0.12 1.13 4.81 -1.14 -1.83 114.58 117.74 1vfs h GLU 71 Ca 0.00 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 58.84 1vfs h GLU 71 Cb 0.74 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 1vfs h GLU 71 CO 0.00 1.07 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.26 1vfs h LEU 72 N 0.17 0.23 -0.46 1.64 3.38 -1.33 -2.09 115.31 116.85 1vfs h LEU 72 Ca -0.07 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1vfs h LEU 72 Cb 1.61 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 1vfs h LEU 72 CO 0.16 0.53 0.30 0.03 0.09 0.00 0.00 178.44 179.54 1vfs h ARG 73 N -0.07 0.58 -0.03 1.13 2.47 -1.48 -1.46 114.38 115.52 1vfs h ARG 73 Ca 0.03 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1vfs h ARG 73 Cb 0.42 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 1vfs h ARG 73 CO 0.01 0.39 0.04 0.00 0.56 0.00 0.00 179.97 180.97 1vfs h ALA 74 N 1.18 1.56 -0.32 0.04 0.00 -1.22 -0.07 119.26 120.43 1vfs h ALA 74 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1vfs h ALA 74 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vfs h ALA 74 CO -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1vfs n ALA 75 N -2.31 2.53 -1.00 0.00 0.00 -0.58 -4.90 120.51 114.25 1vfs n ALA 75 Ca -0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 52.80 1vfs n ALA 75 Cb 0.13 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1vfs n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 76 N 0.93 0.47 3.69 0.00 0.00 -0.04 -5.02 105.19 105.23 1vfs n GLY 76 Ca 0.11 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1vfs n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vfs s ILE 77 N -1.99 4.83 0.57 -0.61 1.01 -1.03 -5.04 121.20 118.93 1vfs s ILE 77 Ca 0.00 1.98 0.09 0.00 0.00 0.00 0.00 60.65 62.71 1vfs s ILE 77 Cb 0.00 -4.28 0.07 0.00 0.01 0.00 0.00 42.46 38.26 1vfs s ILE 77 CO 0.00 0.05 0.69 -1.10 0.00 0.00 0.00 174.94 174.58 1vfs s GLN 78 N 1.74 2.29 0.02 2.79 -0.21 -1.26 -4.44 119.66 120.59 1vfs s GLN 78 Ca 0.48 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 54.10 1vfs s GLN 78 Cb -0.19 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.33 1vfs s GLN 78 CO 0.20 -0.80 0.00 0.41 -2.12 0.00 0.00 175.29 172.98 1vfs n GLY 79 N -2.11 -3.47 3.71 3.09 0.00 -1.26 -4.96 105.19 100.19 1vfs n GLY 79 Ca 0.11 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1vfs n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vfs s ARG 80 N -0.68 4.50 -0.01 1.61 1.81 -1.26 -5.01 118.95 119.91 1vfs s ARG 80 Ca 0.00 1.59 0.01 0.00 -1.72 0.00 0.00 55.73 55.61 1vfs s ARG 80 Cb 0.00 -3.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.10 1vfs s ARG 80 CO 0.00 -0.14 -0.04 0.42 -0.68 0.00 0.00 175.30 174.85 1vfs s ILE 81 N 1.01 0.37 0.01 1.52 1.01 -1.26 -1.03 121.20 122.83 1vfs s ILE 81 Ca 0.55 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1vfs s ILE 81 Cb -0.25 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1vfs s ILE 81 CO 0.29 0.12 -0.12 -0.32 0.00 0.00 0.00 174.94 174.90 1vfs s MET 82 N 0.06 0.90 0.02 2.79 1.75 0.22 -0.80 119.30 124.24 1vfs s MET 82 Ca -0.00 -0.54 0.03 0.00 -1.25 0.00 0.00 55.69 53.93 1vfs s MET 82 Cb -0.04 -0.87 -0.02 0.00 2.84 0.00 0.00 34.83 36.74 1vfs s MET 82 CO -0.00 0.23 -0.09 0.00 -0.65 0.00 0.00 175.02 174.50 1vfs n TRP 84 N 2.19 0.00 -3.08 0.00 2.14 -1.12 -2.60 117.44 114.97 1vfs n TRP 84 Ca -0.17 0.00 -0.45 0.00 2.07 0.00 0.00 57.50 58.95 1vfs n TRP 84 Cb 0.56 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 31.03 1vfs n TRP 84 CO 0.00 0.00 0.00 -1.17 2.07 0.00 0.00 177.69 178.59 1vfs s LEU 85 N -1.91 5.64 0.11 5.67 2.96 0.15 -4.73 118.68 126.57 1vfs s LEU 85 Ca 0.00 -2.12 0.07 0.00 -0.22 0.00 0.00 54.13 51.87 1vfs s LEU 85 Cb 0.00 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 1vfs s LEU 85 CO 0.00 -0.93 -0.10 0.26 -1.32 0.00 0.00 176.35 174.26 1vfs s TRP 86 N 1.92 2.72 0.12 5.38 0.52 -1.26 -4.49 118.94 123.85 1vfs s TRP 86 Ca 0.24 -0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.22 1vfs s TRP 86 Cb -0.10 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1vfs s TRP 86 CO -0.06 0.43 -0.08 0.95 0.02 0.00 0.00 176.95 178.21 1vfs s THR 87 N -1.25 0.90 0.27 2.01 -4.23 -1.26 -5.08 115.64 107.00 1vfs s THR 87 Ca 0.21 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.48 1vfs s THR 87 Cb -0.11 -1.71 -0.14 0.00 1.34 0.00 0.00 72.50 71.88 1vfs s THR 87 CO 0.14 -0.80 1.15 -2.65 -0.54 0.00 0.00 174.62 171.92 1vfs n PRO 88 N -0.04 1.56 -0.79 3.99 -0.02 -1.26 -2.01 135.00 136.43 1vfs n PRO 88 Ca -0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1vfs n PRO 88 Cb 0.60 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1vfs n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vfs n GLY 89 N 1.43 0.67 3.43 -1.23 0.00 -1.26 -5.05 105.19 103.19 1vfs n GLY 89 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1vfs n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vfs s GLY 90 N -1.95 1.50 -1.51 -0.02 0.00 -0.85 -4.82 107.32 99.67 1vfs s GLY 90 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 1vfs s GLY 90 CO 0.00 0.42 2.91 -1.55 0.00 0.00 0.00 173.10 174.88 1vfs n PRO 91 N -5.16 3.77 0.08 2.90 -0.04 -1.26 -4.68 135.00 130.61 1vfs n PRO 91 Ca 0.06 -2.35 -0.12 0.00 -0.04 0.00 0.00 63.50 61.05 1vfs n PRO 91 Cb 0.56 -2.74 -0.06 0.00 -0.04 0.00 0.00 33.50 31.23 1vfs n PRO 91 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1vfs h TRP 92 N 4.84 -0.88 -0.59 0.54 4.06 -1.95 -1.08 115.95 120.88 1vfs h TRP 92 Ca 0.82 0.03 0.12 0.00 2.06 0.00 0.00 58.89 61.92 1vfs h TRP 92 Cb 0.34 0.38 -0.10 0.00 -1.00 0.00 0.00 29.16 28.78 1vfs h TRP 92 CO 1.84 -0.42 0.04 -0.09 -3.56 0.00 0.00 178.44 176.25 1vfs h ARG 93 N -0.50 0.15 -0.70 0.49 2.43 -1.85 -0.69 114.38 113.71 1vfs h ARG 93 Ca 0.05 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1vfs h ARG 93 Cb 0.57 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1vfs h ARG 93 CO -0.23 0.10 0.16 0.93 -1.51 0.00 0.00 179.97 179.42 1vfs h GLU 94 N 0.16 1.12 -0.31 0.20 3.07 -1.86 -1.80 114.58 115.15 1vfs h GLU 94 Ca 0.31 -0.27 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1vfs h GLU 94 Cb 0.49 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 1vfs h GLU 94 CO -0.48 0.99 0.00 0.00 -1.40 0.00 0.00 179.01 178.12 1vfs h ALA 95 N 1.11 0.42 -0.57 3.43 0.00 -0.37 -2.30 119.26 120.98 1vfs h ALA 95 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1vfs h ALA 95 Cb 0.38 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1vfs h ALA 95 CO 0.00 0.17 0.38 0.82 0.00 0.00 0.00 179.25 180.62 1vfs h ILE 96 N 0.34 1.15 0.00 0.00 2.04 -1.06 -2.04 117.51 117.94 1vfs h ILE 96 Ca 0.09 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1vfs h ILE 96 Cb 0.44 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1vfs h ILE 96 CO 0.02 0.14 -0.25 -0.33 0.00 0.00 0.00 178.15 177.73 1vfs h GLU 97 N 0.77 0.00 -0.68 2.37 5.08 -1.24 -2.47 114.58 118.41 1vfs h GLU 97 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1vfs h GLU 97 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1vfs h GLU 97 CO -0.04 0.25 0.00 0.25 -1.00 0.00 0.00 179.01 178.47 1vfs n THR 98 N -3.78 1.74 -3.72 1.13 -2.24 -0.87 -4.94 114.28 101.60 1vfs n THR 98 Ca -0.01 -0.93 -0.26 0.00 -2.27 0.00 0.00 64.05 60.57 1vfs n THR 98 Cb 0.35 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1vfs n THR 98 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1vfs n ASP 99 N 0.52 -3.24 -4.43 3.42 2.03 -0.93 -5.00 116.55 108.92 1vfs n ASP 99 Ca 0.19 -0.94 -0.33 0.00 0.52 0.00 0.00 54.79 54.22 1vfs n ASP 99 Cb 0.84 -3.60 -0.13 0.00 -0.72 0.00 0.00 41.12 37.50 1vfs n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1vfs s ILE 100 N -3.62 3.22 -0.06 5.18 1.01 -0.81 -4.63 121.20 121.50 1vfs s ILE 100 Ca 0.25 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 1vfs s ILE 100 Cb -0.08 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1vfs s ILE 100 CO 0.85 0.54 1.19 -1.81 0.00 0.00 0.00 174.94 175.70 1vfs s ASP 101 N 0.01 7.07 0.15 3.58 1.11 0.02 -4.58 116.67 124.03 1vfs s ASP 101 Ca -0.03 1.80 0.07 0.00 0.18 0.00 0.00 52.55 54.56 1vfs s ASP 101 Cb -0.14 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 1vfs s ASP 101 CO 0.04 -0.57 0.01 0.68 1.18 0.00 0.00 175.17 176.51 1vfs s VAL 102 N 2.17 3.84 -0.10 -1.27 -7.23 -0.80 -2.14 120.40 114.87 1vfs s VAL 102 Ca 0.55 -1.30 -0.06 0.00 -1.81 0.00 0.00 61.98 59.37 1vfs s VAL 102 Cb -0.24 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1vfs s VAL 102 CO 0.22 -0.05 0.12 -0.55 -0.31 0.00 0.00 175.10 174.53 1vfs s SER 103 N -2.80 6.22 -0.12 4.85 0.15 -1.07 -0.23 113.70 120.70 1vfs s SER 103 Ca 0.27 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.34 1vfs s SER 103 Cb -0.10 -1.97 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1vfs s SER 103 CO 0.19 0.39 -0.13 -0.69 1.20 0.00 0.00 173.24 174.20 1vfs s VAL 104 N -1.04 1.36 -0.08 4.45 1.01 -0.66 -4.87 120.40 120.57 1vfs s VAL 104 Ca 0.16 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1vfs s VAL 104 Cb -0.12 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1vfs s VAL 104 CO 0.05 0.42 0.08 -1.20 0.00 0.00 0.00 175.10 174.46 1vfs n SER 105 N 4.53 0.11 -3.37 3.32 7.64 -1.26 -4.47 113.62 120.11 1vfs n SER 105 Ca -0.17 -0.56 -0.21 0.00 1.01 0.00 0.00 58.87 58.95 1vfs n SER 105 Cb 0.51 0.96 -0.08 0.00 -1.01 0.00 0.00 64.21 64.59 1vfs n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vfs n GLY 106 N 1.00 2.95 0.08 0.23 0.00 -1.26 -3.78 105.19 104.40 1vfs n GLY 106 Ca 0.00 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 1vfs n GLY 106 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1vfs h MET 107 N 0.00 0.05 -0.57 1.61 0.00 -1.99 -3.18 114.93 110.85 1vfs h MET 107 Ca -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 59.70 59.37 1vfs h MET 107 Cb 1.22 0.03 -0.03 0.00 0.00 0.00 0.00 31.60 32.82 1vfs h MET 107 CO 0.37 1.00 0.37 0.11 0.00 0.00 0.00 176.91 178.76 1vfs h TRP 108 N 0.02 0.74 0.64 -0.22 5.08 -2.00 -2.49 115.95 117.72 1vfs h TRP 108 Ca -0.03 0.01 -0.03 0.00 1.08 0.00 0.00 58.89 59.92 1vfs h TRP 108 Cb 1.72 -0.25 0.01 0.00 -3.00 0.00 0.00 29.16 27.64 1vfs h TRP 108 CO 0.01 0.48 -0.31 0.00 -1.28 0.00 0.00 178.44 177.35 1vfs h ALA 109 N 1.19 -0.85 -0.91 0.11 0.00 -1.98 -2.40 119.26 114.42 1vfs h ALA 109 Ca 0.21 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.17 1vfs h ALA 109 Cb -0.06 0.33 -0.14 0.00 0.00 0.00 0.00 17.79 17.92 1vfs h ALA 109 CO -0.04 -0.93 0.31 1.25 0.00 0.00 0.00 179.25 179.84 1vfs h LEU 110 N -0.95 0.12 -0.79 0.00 6.46 -1.52 0.20 115.31 118.84 1vfs h LEU 110 Ca -0.09 0.20 -0.12 0.00 -0.12 0.00 0.00 57.88 57.74 1vfs h LEU 110 Cb 0.69 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1vfs h LEU 110 CO 0.14 -0.15 -0.59 0.44 -0.62 0.00 0.00 178.44 177.66 1vfs h ASP 111 N 0.24 0.00 0.13 1.25 3.45 -1.34 -2.31 116.42 117.84 1vfs h ASP 111 Ca 0.59 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.82 1vfs h ASP 111 Cb 1.24 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.02 1vfs h ASP 111 CO -0.64 0.59 -0.94 -0.33 -1.57 0.00 0.00 179.24 176.35 1vfs h GLU 112 N 0.00 0.58 -0.11 3.56 5.08 -0.15 -2.81 114.58 120.73 1vfs h GLU 112 Ca -0.01 -0.58 -0.12 0.00 -1.00 0.00 0.00 59.36 57.65 1vfs h GLU 112 Cb 1.07 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1vfs h GLU 112 CO 0.08 1.20 -0.48 -0.24 -1.00 0.00 0.00 179.01 178.57 1vfs h VAL 113 N 0.35 1.34 -0.15 3.13 3.04 -1.06 -1.13 116.25 121.76 1vfs h VAL 113 Ca -0.09 -1.69 -0.02 0.00 -1.01 0.00 0.00 66.70 63.90 1vfs h VAL 113 Cb 1.57 1.79 -0.01 0.00 -2.01 0.00 0.00 31.29 32.63 1vfs h VAL 113 CO 0.18 0.50 0.03 0.03 -1.01 0.00 0.00 177.57 177.30 1vfs h ARG 114 N 0.21 0.24 -0.65 4.17 3.08 -1.42 0.46 114.38 120.49 1vfs h ARG 114 Ca 0.01 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1vfs h ARG 114 Cb 0.93 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 1vfs h ARG 114 CO 0.08 0.41 0.21 0.00 -1.07 0.00 0.00 179.97 179.60 1vfs h ALA 115 N 0.82 1.14 -0.33 0.04 0.00 -1.40 -1.74 119.26 117.80 1vfs h ALA 115 Ca 0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1vfs h ALA 115 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1vfs h ALA 115 CO 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.72 1vfs h ALA 116 N 1.27 0.46 -0.59 0.00 0.00 -0.90 -2.16 119.26 117.34 1vfs h ALA 116 Ca 0.21 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1vfs h ALA 116 Cb 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1vfs h ALA 116 CO -0.01 0.34 0.37 0.00 0.00 0.00 0.00 179.25 179.95 1vfs h ALA 117 N 0.79 0.76 -0.62 0.00 0.00 0.18 -1.06 119.26 119.29 1vfs h ALA 117 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vfs h ALA 117 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1vfs h ALA 117 CO 0.04 0.12 0.37 0.00 0.00 0.00 0.00 179.25 179.78 1vfs h ARG 118 N 0.74 0.85 0.00 0.00 2.47 -1.23 -0.35 114.38 116.86 1vfs h ARG 118 Ca 0.23 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 1vfs h ARG 118 Cb -0.01 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 1vfs h ARG 118 CO -0.08 0.61 -0.17 0.00 0.56 0.00 0.00 179.97 180.89 1vfs h ALA 119 N 1.19 1.19 -0.00 0.04 0.00 -0.91 -2.17 119.26 118.60 1vfs h ALA 119 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vfs h ALA 119 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1vfs h ALA 119 CO -0.04 0.21 -0.52 0.00 0.00 0.00 0.00 179.25 178.90 1vfs n ALA 120 N -2.27 3.64 -3.18 0.00 0.00 -0.45 -4.95 120.51 113.30 1vfs n ALA 120 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 53.44 52.76 1vfs n ALA 120 Cb 0.31 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.78 1vfs n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 121 N 1.45 -0.53 3.33 0.00 0.00 -0.20 -4.98 105.19 104.26 1vfs n GLY 121 Ca 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1vfs n GLY 121 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vfs s ARG 122 N -5.88 1.21 -0.17 1.61 0.52 -0.90 -5.05 118.95 110.29 1vfs s ARG 122 Ca 0.38 -1.35 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 1vfs s ARG 122 Cb -0.17 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1vfs s ARG 122 CO 0.48 -0.44 0.39 0.99 0.02 0.00 0.00 175.30 176.74 1vfs s THR 123 N -4.04 5.23 0.13 0.02 2.01 -1.26 -4.44 115.64 113.29 1vfs s THR 123 Ca 0.25 0.73 -0.21 0.00 0.31 0.00 0.00 61.69 62.77 1vfs s THR 123 Cb 0.04 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.75 1vfs s THR 123 CO 0.05 0.31 0.67 0.00 -0.69 0.00 0.00 174.62 174.96 1vfs s ALA 124 N 0.88 3.51 -0.53 7.40 0.00 -0.94 -4.87 121.76 127.21 1vfs s ALA 124 Ca 0.20 0.17 -0.18 0.00 0.00 0.00 0.00 51.96 52.15 1vfs s ALA 124 Cb -0.14 -2.78 0.08 0.00 0.00 0.00 0.00 23.12 20.27 1vfs s ALA 124 CO 0.07 0.35 0.60 1.03 0.00 0.00 0.00 175.76 177.82 1vfs s ARG 125 N -1.27 3.07 0.00 0.00 0.52 -1.26 0.11 118.95 120.12 1vfs s ARG 125 Ca 0.34 -1.13 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 1vfs s ARG 125 Cb -0.20 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.07 1vfs s ARG 125 CO 0.22 -1.28 -0.01 0.96 0.02 0.00 0.00 175.30 175.21 1vfs s ILE 126 N 2.42 4.08 -0.15 1.52 -4.36 -0.49 -1.90 121.20 122.32 1vfs s ILE 126 Ca 0.12 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 1vfs s ILE 126 Cb -0.22 -2.82 -0.00 0.00 1.25 0.00 0.00 42.46 40.67 1vfs s ILE 126 CO 0.09 0.38 -0.15 -1.10 0.24 0.00 0.00 174.94 174.39 1vfs s GLN 127 N -1.55 3.22 0.19 0.37 -0.21 0.68 -0.85 119.66 121.51 1vfs s GLN 127 Ca 0.19 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 54.79 1vfs s GLN 127 Cb -0.11 -2.62 0.04 0.00 1.00 0.00 0.00 33.01 31.32 1vfs s GLN 127 CO 0.10 0.03 0.26 1.28 -2.12 0.00 0.00 175.29 174.84 1vfs n LEU 128 N 4.02 0.00 -3.64 2.90 4.32 0.29 -1.65 117.00 123.23 1vfs n LEU 128 Ca -0.19 -0.31 -0.05 0.00 -0.02 0.00 0.00 56.01 55.43 1vfs n LEU 128 Cb 0.52 -0.19 -0.07 0.00 -1.62 0.00 0.00 43.42 42.06 1vfs n LEU 128 CO 0.29 -0.68 0.78 0.00 -1.22 0.00 0.00 177.39 176.56 1vfs s ALA 130 N -3.83 -2.16 -0.63 -1.18 0.00 -0.25 -1.83 121.76 111.88 1vfs s ALA 130 Ca 0.15 1.99 -0.21 0.00 0.00 0.00 0.00 51.96 53.88 1vfs s ALA 130 Cb -0.00 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.58 1vfs s ALA 130 CO 0.10 -0.27 0.87 0.34 0.00 0.00 0.00 175.76 176.81 1vfs s ASP 131 N 0.69 6.18 -0.08 0.00 -1.08 -0.25 -4.46 116.67 117.67 1vfs s ASP 131 Ca -0.02 -1.10 0.16 0.00 -0.52 0.00 0.00 52.55 51.07 1vfs s ASP 131 Cb -0.04 -2.38 0.59 0.00 -1.46 0.00 0.00 42.92 39.63 1vfs s ASP 131 CO -0.11 -1.32 1.48 0.35 0.52 0.00 0.00 175.17 176.09 1vfs n THR 132 N 5.81 1.40 0.00 1.71 -2.24 -1.26 -4.26 114.28 115.43 1vfs n THR 132 Ca -0.05 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1vfs n THR 132 Cb 0.45 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1vfs n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vfs n GLY 133 N 1.09 0.58 0.24 3.38 0.00 -1.26 -4.35 105.19 104.88 1vfs n GLY 133 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1vfs n GLY 133 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vfs h LEU 134 N 0.00 0.82 0.02 0.99 5.85 -1.88 -3.47 115.31 117.64 1vfs h LEU 134 Ca 0.00 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1vfs h LEU 134 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1vfs h LEU 134 CO 0.00 0.97 -0.01 0.61 -0.34 0.00 0.00 178.44 179.67 1vfs n GLY 135 N -0.25 0.46 0.00 3.75 0.00 -1.26 -4.98 105.19 102.91 1vfs n GLY 135 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1vfs n GLY 135 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vfs n ARG 136 N -2.92 0.00 -0.42 1.61 0.63 -1.26 -5.08 116.66 109.22 1vfs n ARG 136 Ca -0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vfs n ARG 136 Cb 0.02 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.93 1vfs n ARG 136 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1vfs n ASN 137 N 0.00 0.00 0.00 6.15 2.85 -1.26 -5.05 115.26 117.95 1vfs n ASN 137 Ca 0.00 -0.68 0.00 0.00 -0.11 0.00 0.00 54.58 53.79 1vfs n ASN 137 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1vfs n ASN 137 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vfs n GLY 138 N 5.00 -1.56 3.69 8.20 0.00 -1.26 -4.44 105.19 114.82 1vfs n GLY 138 Ca 0.00 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1vfs n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs s GLN 140 N 1.70 3.99 0.30 0.00 -1.52 -1.26 -1.08 119.66 121.79 1vfs s GLN 140 Ca 0.43 2.35 0.01 0.00 -1.95 0.00 0.00 55.36 56.20 1vfs s GLN 140 Cb -0.18 -2.84 0.72 0.00 -0.22 0.00 0.00 33.01 30.50 1vfs s GLN 140 CO 0.17 -0.54 1.59 -1.35 -0.25 0.00 0.00 175.29 174.91 1vfs h PRO 141 N 2.78 0.05 0.00 2.91 0.11 -1.96 0.25 132.00 136.14 1vfs h PRO 141 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1vfs h PRO 141 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1vfs h PRO 141 CO 0.63 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 1vfs n ALA 142 N -3.03 1.95 -0.07 -0.75 0.00 -1.26 -1.94 120.51 115.41 1vfs n ALA 142 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1vfs n ALA 142 Cb 0.73 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1vfs n ALA 142 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1vfs n ASP 143 N -1.02 0.35 0.13 0.00 8.00 0.84 -4.76 116.55 120.09 1vfs n ASP 143 Ca 0.09 -0.66 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 1vfs n ASP 143 Cb 0.05 0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 1vfs n ASP 143 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1vfs h TRP 144 N 0.00 -1.02 -0.81 1.24 -0.00 -0.91 -1.72 115.95 112.74 1vfs h TRP 144 Ca 0.00 0.02 0.17 0.00 -0.00 0.00 0.00 58.89 59.08 1vfs h TRP 144 Cb 0.04 0.43 -0.15 0.00 -0.00 0.00 0.00 29.16 29.47 1vfs h TRP 144 CO 0.00 -0.48 -0.15 0.00 -0.00 0.00 0.00 178.44 177.81 1vfs h ALA 145 N -0.06 0.62 -0.18 2.65 0.00 -1.86 0.24 119.26 120.66 1vfs h ALA 145 Ca 0.02 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1vfs h ALA 145 Cb 0.63 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1vfs h ALA 145 CO -0.20 -0.42 -0.07 1.49 0.00 0.00 0.00 179.25 180.05 1vfs h GLU 146 N 0.02 0.37 -0.43 0.00 4.81 -1.81 -1.57 114.58 115.97 1vfs h GLU 146 Ca 0.41 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1vfs h GLU 146 Cb 0.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1vfs h GLU 146 CO -0.81 0.66 0.13 1.25 -0.73 0.00 0.00 179.01 179.51 1vfs h LEU 147 N 0.07 0.63 -1.70 1.64 5.85 -0.38 -0.60 115.31 120.81 1vfs h LEU 147 Ca 0.04 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1vfs h LEU 147 Cb 0.54 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1vfs h LEU 147 CO 0.02 0.67 -0.15 0.58 -0.34 0.00 0.00 178.44 179.22 1vfs h VAL 148 N 0.55 1.11 -0.21 1.05 2.07 -0.60 -1.71 116.25 118.51 1vfs h VAL 148 Ca 0.14 -0.52 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1vfs h VAL 148 Cb 0.27 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1vfs h VAL 148 CO -0.00 0.15 -0.33 1.23 0.02 0.00 0.00 177.57 178.63 1vfs h GLY 149 N 0.46 0.65 2.00 2.17 0.00 -0.41 -2.75 103.07 105.18 1vfs h GLY 149 Ca -0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1vfs h GLY 149 CO 0.02 0.66 -0.36 0.00 0.00 0.00 0.00 176.54 176.85 1vfs h ALA 150 N 0.62 1.13 0.02 3.60 0.00 -0.67 -3.15 119.26 120.81 1vfs h ALA 150 Ca 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1vfs h ALA 150 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1vfs h ALA 150 CO 0.08 0.45 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 1vfs h ALA 151 N 1.64 -0.02 0.00 0.00 0.00 -1.32 -2.32 119.26 117.23 1vfs h ALA 151 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vfs h ALA 151 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1vfs h ALA 151 CO 0.05 -0.15 0.00 -0.39 0.00 0.00 0.00 179.25 178.76 1vfs h VAL 152 N -0.75 0.00 0.00 0.00 -1.51 -1.54 0.81 116.25 113.27 1vfs h VAL 152 Ca -0.00 -0.05 -0.08 0.00 -1.23 0.00 0.00 66.70 65.34 1vfs h VAL 152 Cb 0.70 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1vfs h VAL 152 CO 0.00 0.00 -0.42 0.00 -1.23 0.00 0.00 177.57 175.92 1vfs h ALA 153 N 2.02 0.09 0.00 5.19 0.00 -1.53 -3.02 119.26 122.01 1vfs h ALA 153 Ca 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1vfs h ALA 153 Cb 0.06 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vfs h ALA 153 CO 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 179.25 179.47 1vfs h ALA 154 N -0.16 1.48 0.09 0.00 0.00 -0.70 -1.48 119.26 118.50 1vfs h ALA 154 Ca -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1vfs h ALA 154 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1vfs h ALA 154 CO -0.07 0.02 -0.05 0.37 0.00 0.00 0.00 179.25 179.53 1vfs h GLN 155 N 0.00 -0.12 -0.20 0.00 4.15 -0.94 -2.49 115.11 115.52 1vfs h GLN 155 Ca -0.00 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.49 1vfs h GLN 155 Cb 0.04 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1vfs h GLN 155 CO 0.00 0.24 0.19 0.00 -1.93 0.00 0.00 178.83 177.32 1vfs h ALA 156 N 0.36 1.92 -0.04 3.38 0.00 -1.14 0.11 119.26 123.85 1vfs h ALA 156 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vfs h ALA 156 Cb 0.41 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vfs h ALA 156 CO 0.02 -0.29 0.00 -0.85 0.00 0.00 0.00 179.25 178.13 1vfs n GLU 157 N -4.01 1.45 -1.27 0.00 0.28 -1.03 -4.91 120.64 111.16 1vfs n GLU 157 Ca 0.02 -0.66 -0.09 0.00 -0.16 0.00 0.00 57.16 56.27 1vfs n GLU 157 Cb 0.32 -1.44 -0.04 0.00 1.43 0.00 0.00 31.44 31.70 1vfs n GLU 157 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vfs n GLY 158 N 1.08 1.07 0.11 -1.84 0.00 0.39 -4.89 105.19 101.10 1vfs n GLY 158 Ca 0.19 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 1vfs n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vfs h THR 159 N 0.00 0.91 -4.08 2.61 1.03 -1.63 -3.41 112.91 108.34 1vfs h THR 159 Ca -0.19 -2.65 -0.12 0.00 -0.01 0.00 0.00 66.41 63.45 1vfs h THR 159 Cb 0.67 2.57 -0.14 0.00 -1.07 0.00 0.00 68.15 70.18 1vfs h THR 159 CO 0.28 0.73 -0.52 0.68 -0.01 0.00 0.00 175.52 176.68 1vfs s VAL 160 N -2.60 0.15 -0.14 0.00 -7.23 -1.15 -2.23 120.40 107.20 1vfs s VAL 160 Ca -0.11 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1vfs s VAL 160 Cb 0.07 -1.59 0.05 0.00 0.56 0.00 0.00 36.38 35.47 1vfs s VAL 160 CO 0.82 -0.69 0.03 -1.58 -0.31 0.00 0.00 175.10 173.36 1vfs s GLN 161 N -3.93 0.58 -0.61 4.82 0.74 0.12 -4.02 119.66 117.35 1vfs s GLN 161 Ca 0.11 -0.18 -0.27 0.00 0.05 0.00 0.00 55.36 55.06 1vfs s GLN 161 Cb 0.06 -1.65 0.00 0.00 1.10 0.00 0.00 33.01 32.53 1vfs s GLN 161 CO -0.07 -0.51 1.56 0.08 -0.55 0.00 0.00 175.29 175.80 1vfs s VAL 162 N 1.93 3.59 -0.89 1.34 1.01 -1.26 -1.40 120.40 124.73 1vfs s VAL 162 Ca 0.02 0.42 0.25 0.00 0.00 0.00 0.00 61.98 62.66 1vfs s VAL 162 Cb -0.15 -4.34 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 1vfs s VAL 162 CO -0.07 -1.21 1.35 0.35 0.00 0.00 0.00 175.10 175.52 1vfs n THR 163 N 6.90 0.09 -3.55 3.92 -2.24 -0.03 -4.34 114.28 115.02 1vfs n THR 163 Ca 0.13 -0.08 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1vfs n THR 163 Cb 0.50 0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 1vfs n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1vfs s GLY 164 N -3.20 -0.46 -0.01 3.38 0.00 -1.24 0.96 107.32 106.75 1vfs s GLY 164 Ca 0.09 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.10 1vfs s GLY 164 CO 0.72 0.10 0.02 0.14 0.00 0.00 0.00 173.10 174.07 1vfs s VAL 165 N -3.76 -0.03 0.33 1.40 1.01 -0.83 -0.55 120.40 117.97 1vfs s VAL 165 Ca 0.04 0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 1vfs s VAL 165 Cb -0.02 -0.06 0.05 0.00 0.00 0.00 0.00 36.38 36.35 1vfs s VAL 165 CO -0.07 0.06 0.82 -1.66 0.00 0.00 0.00 175.10 174.24 1vfs s TRP 166 N 0.65 0.04 0.13 5.22 1.48 -0.76 -2.52 118.94 123.17 1vfs s TRP 166 Ca -0.05 -0.63 -0.02 0.00 -1.06 0.00 0.00 56.10 54.33 1vfs s TRP 166 Cb -0.08 0.79 0.01 0.00 -1.16 0.00 0.00 33.47 33.03 1vfs s TRP 166 CO -0.02 -1.40 0.21 0.45 -4.06 0.00 0.00 176.95 172.14 1vfs n SER 167 N -1.17 -0.60 -3.72 -2.66 2.88 -0.62 -1.09 113.62 106.64 1vfs n SER 167 Ca -0.07 -1.61 -0.12 0.00 -1.33 0.00 0.00 58.87 55.74 1vfs n SER 167 Cb 0.60 1.05 -0.13 0.00 -0.75 0.00 0.00 64.21 64.98 1vfs n SER 167 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1vfs s HIS 168 N -5.27 -0.38 0.45 0.66 2.46 -1.26 -4.24 115.29 107.70 1vfs s HIS 168 Ca 0.08 0.87 -0.23 0.00 0.47 0.00 0.00 55.06 56.26 1vfs s HIS 168 Cb -0.01 0.09 -0.08 0.00 -0.13 0.00 0.00 32.58 32.45 1vfs s HIS 168 CO 0.06 -0.25 1.09 -0.06 -2.47 0.00 0.00 174.74 173.11 1vfs s PHE 169 N 1.29 3.04 -0.12 3.88 0.08 -1.26 -4.50 117.98 120.38 1vfs s PHE 169 Ca -0.09 1.59 0.01 0.00 0.12 0.00 0.00 56.93 58.55 1vfs s PHE 169 Cb -0.10 -3.21 -0.24 0.00 -0.57 0.00 0.00 43.02 38.89 1vfs s PHE 169 CO -0.09 -1.03 0.36 0.00 -0.10 0.00 0.00 175.22 174.35 1vfs n ALA 170 N -0.47 1.14 -2.61 5.36 0.00 -1.26 -4.66 120.51 118.01 1vfs n ALA 170 Ca 0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 53.44 52.69 1vfs n ALA 170 Cb 0.50 -0.63 0.04 0.00 0.00 0.00 0.00 19.45 19.35 1vfs n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfs n ALA 172 N -0.54 1.69 1.44 0.00 0.00 -1.26 -2.03 120.51 119.80 1vfs n ALA 172 Ca 0.18 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.78 1vfs n ALA 172 Cb 0.83 -1.36 0.46 0.00 0.00 0.00 0.00 19.45 19.38 1vfs n ALA 172 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vfs n ASP 173 N -2.10 1.29 -3.98 0.00 3.85 -1.26 -4.31 116.55 110.04 1vfs n ASP 173 Ca 0.03 -1.58 -0.31 0.00 -0.71 0.00 0.00 54.79 52.21 1vfs n ASP 173 Cb 0.23 -0.06 -0.12 0.00 -1.35 0.00 0.00 41.12 39.81 1vfs n ASP 173 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1vfs s GLU 174 N -1.88 2.26 -0.18 0.11 2.02 -0.86 -4.82 118.70 115.36 1vfs s GLU 174 Ca 0.34 -2.76 -0.41 0.00 0.02 0.00 0.00 54.97 52.16 1vfs s GLU 174 Cb 0.18 -3.47 -0.18 0.00 0.10 0.00 0.00 34.13 30.77 1vfs s GLU 174 CO 0.28 -1.16 1.48 -2.30 0.02 0.00 0.00 175.26 173.57 1vfs n PRO 175 N 2.96 0.69 -0.82 0.39 -0.02 -1.26 -1.73 135.00 135.21 1vfs n PRO 175 Ca 0.09 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1vfs n PRO 175 Cb 0.34 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1vfs n PRO 175 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vfs n GLY 176 N 3.20 0.54 3.74 -1.23 0.00 -1.26 -5.03 105.19 105.14 1vfs n GLY 176 Ca 0.24 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1vfs n GLY 176 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vfs s HIS 177 N -2.00 3.55 0.56 1.61 5.04 -0.71 -4.93 115.29 118.42 1vfs s HIS 177 Ca 0.00 1.56 0.34 0.00 -1.54 0.00 0.00 55.06 55.41 1vfs s HIS 177 Cb 0.00 -3.32 1.92 0.00 0.04 0.00 0.00 32.58 31.22 1vfs s HIS 177 CO 0.00 -0.76 2.25 -1.00 -2.34 0.00 0.00 174.74 172.88 1vfs h PRO 178 N 5.09 0.00 0.00 2.88 0.13 -1.96 -1.89 132.00 136.25 1vfs h PRO 178 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1vfs h PRO 178 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1vfs h PRO 178 CO 0.73 0.02 -0.41 0.66 -0.23 0.00 0.00 178.00 178.77 1vfs h SER 179 N 0.00 0.00 0.90 1.44 4.64 -1.95 -2.81 113.55 115.77 1vfs h SER 179 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1vfs h SER 179 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1vfs h SER 179 CO 0.00 0.41 -0.49 0.40 -0.87 0.00 0.00 176.83 176.29 1vfs h ILE 180 N 0.00 0.02 -0.87 0.95 2.04 -1.66 -0.55 117.51 117.44 1vfs h ILE 180 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1vfs h ILE 180 Cb 0.81 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1vfs h ILE 180 CO 0.05 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.81 1vfs h ARG 181 N -1.28 1.13 -0.68 2.37 3.08 -1.69 -0.48 114.38 116.82 1vfs h ARG 181 Ca -0.12 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 59.98 1vfs h ARG 181 Cb 1.00 -0.25 -0.08 0.00 0.08 0.00 0.00 29.97 30.71 1vfs h ARG 181 CO 0.17 0.74 0.26 -0.07 -1.07 0.00 0.00 179.97 180.00 1vfs h LEU 182 N 1.16 0.24 -0.08 3.04 -0.00 -1.32 -0.20 115.31 118.16 1vfs h LEU 182 Ca 0.32 0.09 -0.23 0.00 -0.00 0.00 0.00 57.88 58.07 1vfs h LEU 182 Cb -0.11 0.07 0.01 0.00 -0.00 0.00 0.00 40.66 40.64 1vfs h LEU 182 CO -0.08 0.12 -0.84 1.56 -0.00 0.00 0.00 178.44 179.20 1vfs h GLN 183 N 0.43 0.71 -0.26 1.13 4.20 -0.50 -2.55 115.11 118.28 1vfs h GLN 183 Ca 0.36 -0.66 0.02 0.00 0.06 0.00 0.00 58.65 58.43 1vfs h GLN 183 Cb 0.49 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1vfs h GLN 183 CO -0.36 1.26 0.10 1.25 -0.67 0.00 0.00 178.83 180.41 1vfs h LEU 184 N 0.40 0.13 -0.13 1.46 5.85 -0.60 0.63 115.31 123.06 1vfs h LEU 184 Ca -0.08 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1vfs h LEU 184 Cb 1.49 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 1vfs h LEU 184 CO 0.17 0.11 -0.02 0.44 -0.34 0.00 0.00 178.44 178.80 1vfs h ASP 185 N 0.23 -0.10 -0.73 1.25 3.32 -1.09 -1.91 116.42 117.39 1vfs h ASP 185 Ca 0.11 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.27 1vfs h ASP 185 Cb 0.06 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1vfs h ASP 185 CO -0.10 -0.03 0.40 0.00 -1.72 0.00 0.00 179.24 177.79 1vfs h ALA 186 N 1.12 1.00 0.18 3.45 0.00 -1.01 -1.75 119.26 122.25 1vfs h ALA 186 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vfs h ALA 186 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1vfs h ALA 186 CO -0.12 0.05 -0.14 0.35 0.00 0.00 0.00 179.25 179.39 1vfs h PHE 187 N 0.71 -0.36 -0.62 0.00 3.57 -0.28 0.44 116.94 120.40 1vfs h PHE 187 Ca 0.34 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.91 1vfs h PHE 187 Cb 0.28 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1vfs h PHE 187 CO -0.08 -0.21 0.30 0.00 -2.23 0.00 0.00 178.31 176.08 1vfs h ARG 188 N -0.33 0.52 -0.43 1.11 3.08 -1.02 0.35 114.38 117.68 1vfs h ARG 188 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1vfs h ARG 188 Cb 0.29 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1vfs h ARG 188 CO -0.01 0.35 0.14 -0.44 -1.07 0.00 0.00 179.97 178.94 1vfs h ASP 189 N 0.54 0.61 0.15 7.04 3.45 -1.02 -0.58 116.42 126.61 1vfs h ASP 189 Ca 0.30 -0.20 -0.17 0.00 0.43 0.00 0.00 57.03 57.39 1vfs h ASP 189 Cb 0.28 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 1vfs h ASP 189 CO -0.23 0.65 -0.64 0.24 -1.57 0.00 0.00 179.24 177.68 1vfs h MET 190 N 0.55 0.47 0.18 3.56 2.86 -0.48 -2.68 114.93 119.39 1vfs h MET 190 Ca 0.14 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1vfs h MET 190 Cb 0.25 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1vfs h MET 190 CO -0.01 0.96 -0.09 1.25 1.06 0.00 0.00 176.91 180.09 1vfs h LEU 191 N 0.34 -0.20 -0.46 1.22 5.85 -0.20 -2.27 115.31 119.59 1vfs h LEU 191 Ca -0.01 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1vfs h LEU 191 Cb 1.20 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 1vfs h LEU 191 CO 0.11 -0.07 -0.08 0.00 -0.34 0.00 0.00 178.44 178.06 1vfs h ALA 192 N 0.48 0.34 -0.07 1.25 0.00 -1.08 -0.87 119.26 119.31 1vfs h ALA 192 Ca -0.02 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1vfs h ALA 192 Cb 0.25 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 1vfs h ALA 192 CO 0.04 -0.43 -0.21 -0.92 0.00 0.00 0.00 179.25 177.73 1vfs h TYR 193 N 0.03 -0.55 -0.40 0.00 5.03 -1.31 -0.47 116.97 119.30 1vfs h TYR 193 Ca 0.23 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.64 1vfs h TYR 193 Cb 0.34 0.25 -0.09 0.00 1.55 0.00 0.00 36.73 38.79 1vfs h TYR 193 CO -0.37 -0.29 -0.21 0.00 -1.32 0.00 0.00 178.16 175.97 1vfs h ALA 194 N 0.64 0.06 -0.17 1.82 0.00 -0.73 -1.58 119.26 119.31 1vfs h ALA 194 Ca 0.08 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1vfs h ALA 194 Cb 0.41 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1vfs h ALA 194 CO -0.24 -0.58 -0.11 0.93 0.00 0.00 0.00 179.25 179.25 1vfs h GLU 195 N -0.14 -0.11 -0.53 0.00 5.08 -0.58 -2.12 114.58 116.18 1vfs h GLU 195 Ca 0.19 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.67 1vfs h GLU 195 Cb 0.44 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1vfs h GLU 195 CO -0.48 -0.07 0.37 0.87 -1.00 0.00 0.00 179.01 178.69 1vfs h LYS 196 N -0.11 0.25 -0.12 2.33 1.79 -0.21 -1.02 116.57 119.48 1vfs h LYS 196 Ca 0.10 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1vfs h LYS 196 Cb 0.26 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 1vfs h LYS 196 CO -0.23 0.17 0.00 0.39 -1.08 0.00 0.00 179.45 178.69 1vfs n GLU 197 N -4.45 1.57 0.00 3.15 -0.58 -0.68 -4.90 120.64 114.74 1vfs n GLU 197 Ca 0.09 -0.85 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 1vfs n GLU 197 Cb 0.42 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1vfs n GLU 197 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vfs n GLY 198 N 1.06 1.17 3.69 0.62 0.00 -0.39 -4.96 105.19 106.37 1vfs n GLY 198 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1vfs n GLY 198 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vfs s VAL 199 N -1.76 5.00 -0.51 1.61 1.01 -0.85 -5.00 120.40 119.90 1vfs s VAL 199 Ca 0.00 1.40 0.02 0.00 0.00 0.00 0.00 61.98 63.39 1vfs s VAL 199 Cb 0.00 -4.03 0.13 0.00 0.00 0.00 0.00 36.38 32.48 1vfs s VAL 199 CO 0.00 0.15 0.27 -0.62 0.00 0.00 0.00 175.10 174.90 1vfs s ASP 200 N 1.01 4.72 0.34 3.32 2.15 -1.26 -3.87 116.67 123.08 1vfs s ASP 200 Ca 0.35 -2.75 -0.27 0.00 0.43 0.00 0.00 52.55 50.31 1vfs s ASP 200 Cb -0.17 -1.71 -0.09 0.00 -0.30 0.00 0.00 42.92 40.65 1vfs s ASP 200 CO 0.14 -0.32 1.13 -2.16 -0.17 0.00 0.00 175.17 173.79 1vfs s PRO 201 N 0.08 4.36 0.11 4.34 0.04 -1.26 -4.78 135.00 137.90 1vfs s PRO 201 Ca 0.15 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1vfs s PRO 201 Cb -0.23 -2.91 -0.20 0.00 0.04 0.00 0.00 34.50 31.20 1vfs s PRO 201 CO -0.03 -0.04 1.24 1.49 0.04 0.00 0.00 177.00 179.71 1vfs h GLU 202 N 3.19 0.14 -3.81 4.56 4.81 0.37 -3.46 114.58 120.37 1vfs h GLU 202 Ca -0.48 -0.21 -0.24 0.00 -0.13 0.00 0.00 59.36 58.30 1vfs h GLU 202 Cb 1.22 0.08 -0.28 0.00 0.63 0.00 0.00 28.75 30.40 1vfs h GLU 202 CO 0.65 1.08 -0.72 0.14 -0.73 0.00 0.00 179.01 179.42 1vfs s VAL 203 N -2.77 0.06 -0.14 0.32 -7.23 -0.30 -5.01 120.40 105.32 1vfs s VAL 203 Ca -0.02 -0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1vfs s VAL 203 Cb 0.09 -0.06 0.02 0.00 0.56 0.00 0.00 36.38 36.98 1vfs s VAL 203 CO 0.85 0.01 -0.19 -0.13 -0.31 0.00 0.00 175.10 175.33 1vfs s ARG 204 N -0.04 2.71 -0.05 4.82 0.52 -1.26 -1.96 118.95 123.69 1vfs s ARG 204 Ca 0.00 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.31 1vfs s ARG 204 Cb -0.00 -2.29 0.03 0.00 0.52 0.00 0.00 34.95 33.21 1vfs s ARG 204 CO -0.00 -0.10 0.37 -3.38 0.02 0.00 0.00 175.30 172.21 1vfs s HIS 205 N 1.06 -0.30 0.00 -0.53 -3.43 -1.05 -1.72 115.29 109.32 1vfs s HIS 205 Ca -0.02 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 54.81 1vfs s HIS 205 Cb -0.14 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 1vfs s HIS 205 CO -0.06 -0.36 0.00 1.51 -2.00 0.00 0.00 174.74 173.83 1vfs n ILE 206 N 1.67 0.00 -2.56 -5.38 3.06 -1.26 -1.58 119.36 113.30 1vfs n ILE 206 Ca -0.19 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 59.65 1vfs n ILE 206 Cb 0.56 0.04 -0.04 0.00 0.54 0.00 0.00 39.64 40.75 1vfs n ILE 206 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1vfs s ALA 207 N 0.00 3.31 0.00 1.51 0.00 -1.25 -4.16 121.76 121.18 1vfs s ALA 207 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1vfs s ALA 207 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1vfs s ALA 207 CO 0.00 -0.25 0.00 0.27 0.00 0.00 0.00 175.76 175.78 1vfs n ASN 208 N 3.19 0.93 0.06 0.00 0.23 -1.26 -1.14 115.26 117.27 1vfs n ASN 208 Ca 0.05 -0.82 -0.11 0.00 -0.53 0.00 0.00 54.58 53.17 1vfs n ASN 208 Cb 0.48 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.13 1vfs n ASN 208 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1vfs h SER 209 N 0.00 -0.55 -0.58 0.53 0.02 -1.93 -0.09 113.55 110.94 1vfs h SER 209 Ca 0.00 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1vfs h SER 209 Cb 0.00 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1vfs h SER 209 CO 0.00 -0.26 0.19 1.55 -1.14 0.00 0.00 176.83 177.17 1vfs h PRO 210 N -0.32 0.90 -0.49 3.45 0.13 -1.95 -2.15 132.00 131.58 1vfs h PRO 210 Ca 0.05 -0.19 -0.04 0.00 -0.87 0.00 0.00 66.00 64.96 1vfs h PRO 210 Cb 0.38 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 1vfs h PRO 210 CO -0.17 0.81 0.15 0.00 -0.23 0.00 0.00 178.00 178.56 1vfs h ALA 211 N 1.05 1.35 -0.45 -0.56 0.00 -1.72 -1.90 119.26 117.03 1vfs h ALA 211 Ca 0.19 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1vfs h ALA 211 Cb 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1vfs h ALA 211 CO -0.01 0.47 -0.11 1.15 0.00 0.00 0.00 179.25 180.75 1vfs h THR 212 N 0.71 1.26 0.00 0.00 2.02 -0.75 0.05 112.91 116.19 1vfs h THR 212 Ca 0.16 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.15 1vfs h THR 212 Cb 0.21 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1vfs h THR 212 CO -0.01 0.41 -0.07 -0.07 0.37 0.00 0.00 175.52 176.15 1vfs h LEU 213 N 0.74 0.00 0.00 2.58 3.38 -1.02 -3.42 115.31 117.57 1vfs h LEU 213 Ca 0.12 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1vfs h LEU 213 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1vfs h LEU 213 CO 0.04 0.00 -0.77 0.35 0.09 0.00 0.00 178.44 178.15 1vfs n THR 214 N -2.78 0.98 -3.23 0.22 -2.24 -0.75 -4.96 114.28 101.52 1vfs n THR 214 Ca 0.04 0.15 -0.46 0.00 -2.27 0.00 0.00 64.05 61.51 1vfs n THR 214 Cb 0.50 -1.74 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 1vfs n THR 214 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1vfs s LEU 215 N -6.95 6.32 0.42 3.22 2.01 -0.01 -4.91 118.68 118.78 1vfs s LEU 215 Ca -0.10 -2.57 0.28 0.00 0.01 0.00 0.00 54.13 51.75 1vfs s LEU 215 Cb 0.03 -2.26 1.53 0.00 0.01 0.00 0.00 46.19 45.50 1vfs s LEU 215 CO 0.14 -0.68 1.86 1.55 1.01 0.00 0.00 176.35 180.23 1vfs h PRO 216 N 7.99 0.00 0.00 1.29 0.13 -1.84 -1.05 132.00 138.52 1vfs h PRO 216 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1vfs h PRO 216 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1vfs h PRO 216 CO 0.85 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.77 1vfs n GLU 217 N -2.49 0.80 0.00 0.86 0.00 -1.26 -2.67 120.64 115.88 1vfs n GLU 217 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.22 1vfs n GLU 217 Cb 0.05 -1.47 -0.08 0.00 0.00 0.00 0.00 31.44 29.94 1vfs n GLU 217 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1vfs n THR 218 N -0.97 0.00 -0.22 3.84 -2.24 -0.40 -4.62 114.28 109.68 1vfs n THR 218 Ca 0.18 -0.15 -0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1vfs n THR 218 Cb 0.08 1.02 0.10 0.00 -2.10 0.00 0.00 70.33 69.44 1vfs n THR 218 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1vfs h HIS 219 N 0.22 0.56 0.00 4.78 3.86 -1.66 -3.31 115.15 119.60 1vfs h HIS 219 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1vfs h HIS 219 Cb 0.40 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1vfs h HIS 219 CO 0.00 0.23 0.00 1.19 0.86 0.00 0.00 177.93 180.21 1vfs n PHE 220 N -4.88 0.00 0.04 2.45 3.72 -1.26 -2.78 117.46 114.75 1vfs n PHE 220 Ca 0.08 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.38 1vfs n PHE 220 Cb 0.22 0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.64 1vfs n PHE 220 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vfs h ASP 221 N 2.74 0.12 -4.74 4.37 3.32 -1.65 -3.41 116.42 117.17 1vfs h ASP 221 Ca 0.00 -0.16 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 1vfs h ASP 221 Cb 0.00 -0.04 -0.22 0.00 0.22 0.00 0.00 39.33 39.29 1vfs h ASP 221 CO 0.00 1.14 -0.56 -0.22 -1.72 0.00 0.00 179.24 177.87 1vfs s LEU 222 N -6.65 1.73 -0.07 1.55 0.20 -1.03 -0.67 118.68 113.74 1vfs s LEU 222 Ca -0.03 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.62 1vfs s LEU 222 Cb 0.09 0.47 0.01 0.00 -0.43 0.00 0.00 46.19 46.33 1vfs s LEU 222 CO 0.83 -0.29 -0.15 0.68 -0.29 0.00 0.00 176.35 177.14 1vfs s VAL 223 N -1.13 1.33 -0.51 1.68 -7.23 -0.84 -4.30 120.40 109.41 1vfs s VAL 223 Ca -0.12 -0.61 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 1vfs s VAL 223 Cb -0.07 -1.18 0.12 0.00 0.56 0.00 0.00 36.38 35.80 1vfs s VAL 223 CO 0.01 0.40 0.44 -0.13 -0.31 0.00 0.00 175.10 175.51 1vfs s ARG 224 N 0.48 2.89 -0.18 4.82 0.52 -0.30 -0.95 118.95 126.23 1vfs s ARG 224 Ca -0.13 -1.64 -0.07 0.00 -0.52 0.00 0.00 55.73 53.37 1vfs s ARG 224 Cb -0.15 -4.18 -0.04 0.00 0.52 0.00 0.00 34.95 31.09 1vfs s ARG 224 CO 0.04 -1.24 0.05 0.95 0.02 0.00 0.00 175.30 175.13 1vfs s THR 225 N 1.56 4.65 0.00 0.02 -4.23 -0.63 -3.51 115.64 113.50 1vfs s THR 225 Ca 0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1vfs s THR 225 Cb -0.28 -3.10 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1vfs s THR 225 CO 0.03 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.17 1vfs n GLY 226 N 3.64 0.16 0.22 3.99 0.00 -1.26 -1.33 105.19 110.61 1vfs n GLY 226 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1vfs n GLY 226 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vfs h LEU 227 N 0.00 -0.34 -2.37 0.99 5.85 -1.90 -2.13 115.31 115.42 1vfs h LEU 227 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1vfs h LEU 227 Cb 0.00 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1vfs h LEU 227 CO 0.00 -0.13 0.08 0.00 -0.34 0.00 0.00 178.44 178.06 1vfs h ALA 228 N 1.52 1.64 0.00 1.25 0.00 -1.91 -0.10 119.26 121.65 1vfs h ALA 228 Ca 0.28 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1vfs h ALA 228 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1vfs h ALA 228 CO -0.50 -0.12 -0.12 0.28 0.00 0.00 0.00 179.25 178.78 1vfs h VAL 229 N 0.00 0.52 -0.33 0.00 2.07 -1.68 -2.51 116.25 114.31 1vfs h VAL 229 Ca 0.03 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1vfs h VAL 229 Cb 0.20 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1vfs h VAL 229 CO -0.00 0.12 0.00 -1.22 0.02 0.00 0.00 177.57 176.49 1vfs n TYR 230 N -3.56 0.42 -1.18 1.57 4.02 -0.05 -4.56 117.16 113.82 1vfs n TYR 230 Ca -0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1vfs n TYR 230 Cb 0.26 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1vfs n TYR 230 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vfs n GLY 231 N 1.41 0.59 3.23 2.72 0.00 -0.95 -1.09 105.19 111.10 1vfs n GLY 231 Ca 0.18 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 1vfs n GLY 231 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vfs s VAL 232 N -2.00 1.77 0.15 1.61 1.01 -1.24 -3.46 120.40 118.24 1vfs s VAL 232 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1vfs s VAL 232 Cb 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 1vfs s VAL 232 CO 0.00 0.50 0.95 -0.55 0.00 0.00 0.00 175.10 176.00 1vfs s SER 233 N -0.34 7.54 0.64 3.32 0.15 -1.26 -3.73 113.70 120.02 1vfs s SER 233 Ca 0.04 1.84 0.37 0.00 0.70 0.00 0.00 55.95 58.90 1vfs s SER 233 Cb -0.10 -2.59 2.07 0.00 -1.71 0.00 0.00 66.02 63.69 1vfs s SER 233 CO 0.01 0.02 2.24 -0.65 1.20 0.00 0.00 173.24 176.05 1vfs h PRO 234 N 5.07 0.00 -1.43 5.44 0.11 -1.95 -3.44 132.00 135.80 1vfs h PRO 234 Ca -0.44 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.80 1vfs h PRO 234 Cb 1.21 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.08 1vfs h PRO 234 CO 0.70 0.00 0.66 -1.54 -0.21 0.00 0.00 178.00 177.61 1vfs s SER 235 N -5.31 -0.28 0.52 -2.05 1.04 -1.26 -4.91 113.70 101.46 1vfs s SER 235 Ca -0.05 0.30 0.18 0.00 0.48 0.00 0.00 55.95 56.86 1vfs s SER 235 Cb 0.13 0.23 1.32 0.00 0.10 0.00 0.00 66.02 67.79 1vfs s SER 235 CO 0.43 -0.26 2.15 1.55 0.98 0.00 0.00 173.24 178.10 1vfs h PRO 236 N 2.41 0.00 -0.35 4.02 0.13 -1.85 -1.30 132.00 135.06 1vfs h PRO 236 Ca -0.15 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1vfs h PRO 236 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1vfs h PRO 236 CO 0.29 0.02 0.24 0.93 -0.23 0.00 0.00 178.00 179.24 1vfs h GLU 237 N 0.00 0.14 -0.01 0.86 5.08 -1.95 0.37 114.58 119.08 1vfs h GLU 237 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1vfs h GLU 237 Cb 0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1vfs h GLU 237 CO 0.00 0.09 -0.23 1.28 -1.00 0.00 0.00 179.01 179.16 1vfs n LEU 238 N -4.47 0.83 0.00 1.33 4.32 -0.49 -5.00 117.00 113.52 1vfs n LEU 238 Ca 0.05 -0.16 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 1vfs n LEU 238 Cb 0.32 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1vfs n LEU 238 CO 0.35 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.29 1vfs n GLY 239 N 1.34 -2.48 3.95 -0.72 0.00 0.12 -4.82 105.19 102.58 1vfs n GLY 239 Ca 0.12 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.75 1vfs n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vfs s THR 240 N -0.73 4.06 0.29 2.61 -4.23 -1.26 -4.50 115.64 111.88 1vfs s THR 240 Ca 0.00 -0.50 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1vfs s THR 240 Cb 0.00 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.63 1vfs s THR 240 CO 0.00 -0.35 1.85 -0.65 -0.54 0.00 0.00 174.62 174.93 1vfs h PRO 241 N 0.42 0.95 -0.79 3.99 0.11 -1.85 0.10 132.00 134.94 1vfs h PRO 241 Ca -0.46 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1vfs h PRO 241 Cb 1.25 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1vfs h PRO 241 CO 0.57 0.63 0.51 0.00 -0.21 0.00 0.00 178.00 179.51 1vfs h ALA 242 N 1.54 1.01 -0.26 -0.75 0.00 -1.93 1.33 119.26 120.19 1vfs h ALA 242 Ca 0.48 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 1vfs h ALA 242 Cb 0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vfs h ALA 242 CO -0.24 0.37 -0.40 1.96 0.00 0.00 0.00 179.25 180.94 1vfs h GLN 243 N 1.03 0.61 -0.00 0.00 4.20 -1.41 -2.48 115.11 117.06 1vfs h GLN 243 Ca 0.30 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1vfs h GLN 243 Cb -0.07 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1vfs h GLN 243 CO -0.08 0.91 -0.02 1.28 -0.67 0.00 0.00 178.83 180.25 1vfs n LEU 244 N -4.03 0.38 -0.97 1.46 4.32 0.18 -4.89 117.00 113.44 1vfs n LEU 244 Ca -0.02 -0.06 -0.08 0.00 -0.02 0.00 0.00 56.01 55.83 1vfs n LEU 244 Cb 0.52 -0.07 -0.00 0.00 -1.62 0.00 0.00 43.42 42.25 1vfs n LEU 244 CO 0.45 0.06 -0.08 0.61 -1.22 0.00 0.00 177.39 177.22 1vfs n GLY 245 N 1.12 0.08 3.74 -0.72 0.00 0.46 -5.04 105.19 104.83 1vfs n GLY 245 Ca 0.20 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1vfs n GLY 245 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vfs s LEU 246 N -2.36 3.62 -0.21 0.99 1.02 0.43 -4.93 118.68 117.24 1vfs s LEU 246 Ca 0.02 -0.16 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 1vfs s LEU 246 Cb -0.01 -2.30 0.01 0.00 0.02 0.00 0.00 46.19 43.92 1vfs s LEU 246 CO 0.03 0.13 -0.10 -0.60 0.02 0.00 0.00 176.35 175.83 1vfs s ARG 247 N -2.66 3.09 0.32 1.70 3.52 -1.26 -3.86 118.95 119.80 1vfs s ARG 247 Ca 0.28 -0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 54.80 1vfs s ARG 247 Cb -0.11 -2.85 -0.12 0.00 -1.56 0.00 0.00 34.95 30.31 1vfs s ARG 247 CO 0.21 -0.26 1.47 -2.30 -0.81 0.00 0.00 175.30 173.61 1vfs n PRO 248 N 4.70 2.48 -0.04 5.12 -0.02 -1.23 -3.73 135.00 142.29 1vfs n PRO 248 Ca -0.19 0.88 -0.05 0.00 -2.02 0.00 0.00 63.50 62.12 1vfs n PRO 248 Cb 0.49 -2.58 -0.14 0.00 -0.02 0.00 0.00 33.50 31.25 1vfs n PRO 248 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1vfs n ALA 249 N 1.22 1.76 -2.77 3.55 0.00 -0.25 -4.88 120.51 119.13 1vfs n ALA 249 Ca 0.06 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.24 1vfs n ALA 249 Cb 0.36 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 1vfs n ALA 249 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1vfs s MET 250 N -2.75 3.17 -0.20 0.00 -2.45 -1.26 -0.68 119.30 115.13 1vfs s MET 250 Ca -0.07 -0.31 -0.04 0.00 -1.25 0.00 0.00 55.69 54.03 1vfs s MET 250 Cb 0.08 -2.96 0.07 0.00 1.25 0.00 0.00 34.83 33.27 1vfs s MET 250 CO 0.83 0.73 0.07 0.99 1.05 0.00 0.00 175.02 178.68 1vfs s THR 251 N -0.99 0.28 -0.35 10.11 2.01 -0.71 -4.41 115.64 121.59 1vfs s THR 251 Ca 0.15 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 61.45 1vfs s THR 251 Cb -0.12 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.48 1vfs s THR 251 CO 0.05 -0.31 0.65 -0.22 -0.69 0.00 0.00 174.62 174.09 1vfs s LEU 252 N 1.96 4.23 0.19 4.42 2.96 0.07 -1.62 118.68 130.88 1vfs s LEU 252 Ca 0.02 0.21 0.11 0.00 -0.22 0.00 0.00 54.13 54.24 1vfs s LEU 252 Cb -0.17 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 1vfs s LEU 252 CO -0.12 -0.59 -0.20 -0.13 -1.32 0.00 0.00 176.35 173.99 1vfs s ARG 253 N 2.72 1.67 0.09 1.98 0.52 -0.78 -1.29 118.95 123.87 1vfs s ARG 253 Ca 0.25 -1.45 -0.05 0.00 -0.52 0.00 0.00 55.73 53.96 1vfs s ARG 253 Cb -0.14 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1vfs s ARG 253 CO 0.14 0.41 0.10 0.00 0.02 0.00 0.00 175.30 175.98 1vfs s ALA 254 N -1.68 0.27 -0.17 2.13 0.00 -0.07 -1.61 121.76 120.62 1vfs s ALA 254 Ca 0.22 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1vfs s ALA 254 Cb -0.08 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 1vfs s ALA 254 CO 0.11 -0.48 -0.10 -1.12 0.00 0.00 0.00 175.76 174.18 1vfs s SER 255 N -2.93 4.08 0.29 0.00 0.01 -0.49 -0.64 113.70 114.01 1vfs s SER 255 Ca 0.11 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.70 1vfs s SER 255 Cb 0.06 -1.66 -0.14 0.00 0.21 0.00 0.00 66.02 64.50 1vfs s SER 255 CO -0.07 0.07 1.19 0.18 0.41 0.00 0.00 173.24 175.03 1vfs n LEU 256 N 4.15 2.58 0.00 2.44 4.77 -0.52 -4.29 117.00 126.13 1vfs n LEU 256 Ca -0.18 1.18 0.11 0.00 -0.03 0.00 0.00 56.01 57.08 1vfs n LEU 256 Cb 0.52 -1.37 -0.13 0.00 -2.33 0.00 0.00 43.42 40.10 1vfs n LEU 256 CO 0.30 -0.92 -0.51 0.00 -1.33 0.00 0.00 177.39 174.93 1vfs n ALA 257 N 0.70 3.21 -3.53 -1.18 0.00 -0.33 -1.13 120.51 118.25 1vfs n ALA 257 Ca 0.09 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.94 1vfs n ALA 257 Cb 0.32 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1vfs n ALA 257 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1vfs s LEU 258 N -4.24 -0.35 -0.14 0.00 2.96 -1.26 -4.85 118.68 110.80 1vfs s LEU 258 Ca -0.03 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1vfs s LEU 258 Cb 0.14 1.92 0.06 0.00 0.50 0.00 0.00 46.19 48.81 1vfs s LEU 258 CO 0.88 -0.50 0.32 -0.69 -1.32 0.00 0.00 176.35 175.04 1vfs s VAL 259 N -2.42 -0.24 0.09 1.68 1.01 -1.26 -1.53 120.40 117.73 1vfs s VAL 259 Ca 0.03 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1vfs s VAL 259 Cb -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1vfs s VAL 259 CO -0.05 0.07 0.30 -1.59 0.00 0.00 0.00 175.10 173.83 1vfs s LYS 260 N 1.84 0.91 0.08 2.72 -2.85 -0.47 -4.96 119.74 117.01 1vfs s LYS 260 Ca -0.05 -0.73 -0.18 0.00 -1.00 0.00 0.00 55.97 54.01 1vfs s LYS 260 Cb -0.11 0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 35.99 1vfs s LYS 260 CO -0.10 -0.32 0.56 0.99 0.10 0.00 0.00 175.35 176.58 1vfs s THR 261 N -3.44 4.78 0.03 3.79 2.01 -1.26 -0.28 115.64 121.27 1vfs s THR 261 Ca 0.01 1.12 0.03 0.00 0.31 0.00 0.00 61.69 63.17 1vfs s THR 261 Cb 0.02 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1vfs s THR 261 CO -0.09 0.50 -0.10 0.68 -0.69 0.00 0.00 174.62 174.92 1vfs s VAL 262 N -1.17 0.76 0.86 3.82 -7.23 -0.00 -4.95 120.40 112.48 1vfs s VAL 262 Ca 0.30 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.54 1vfs s VAL 262 Cb -0.18 -0.72 0.11 0.00 0.56 0.00 0.00 36.38 36.15 1vfs s VAL 262 CO 0.19 -0.09 1.11 -2.16 -0.31 0.00 0.00 175.10 173.84 1vfs s PRO 263 N -1.02 1.54 0.52 4.82 0.04 -1.26 -1.85 135.00 137.79 1vfs s PRO 263 Ca -0.02 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.10 1vfs s PRO 263 Cb -0.07 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1vfs s PRO 263 CO 0.01 -2.19 1.27 0.00 0.04 0.00 0.00 177.00 176.13 1vfs s ALA 264 N -2.78 2.83 -0.97 8.56 0.00 -1.26 -3.01 121.76 125.13 1vfs s ALA 264 Ca 0.64 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1vfs s ALA 264 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1vfs s ALA 264 CO 0.57 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1vfs n GLY 265 N 0.60 0.07 3.77 0.00 0.00 0.20 -4.91 105.19 104.91 1vfs n GLY 265 Ca 0.10 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1vfs n GLY 265 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vfs s HIS 266 N -2.53 3.56 0.45 1.61 5.04 -1.17 -4.79 115.29 117.46 1vfs s HIS 266 Ca 0.00 0.78 -0.23 0.00 -1.54 0.00 0.00 55.06 54.07 1vfs s HIS 266 Cb 0.00 -2.36 -0.08 0.00 0.04 0.00 0.00 32.58 30.19 1vfs s HIS 266 CO 0.00 0.36 1.14 0.20 -2.34 0.00 0.00 174.74 174.10 1vfs s GLY 267 N -0.02 2.76 -0.10 1.59 0.00 -1.26 -1.62 107.32 108.67 1vfs s GLY 267 Ca 0.21 0.88 -0.00 0.00 0.00 0.00 0.00 44.72 45.81 1vfs s GLY 267 CO 0.08 1.33 -0.07 0.14 0.00 0.00 0.00 173.10 174.58 1vfs s VAL 268 N -1.58 0.92 0.12 1.40 1.01 0.28 -4.95 120.40 117.60 1vfs s VAL 268 Ca 0.63 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1vfs s VAL 268 Cb -0.27 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1vfs s VAL 268 CO 0.33 0.35 0.00 -0.24 0.00 0.00 0.00 175.10 175.54 1vfs n SER 269 N 4.90 -3.90 -4.73 3.32 2.88 -1.26 -4.03 113.62 110.80 1vfs n SER 269 Ca -0.12 0.56 -0.42 0.00 -1.33 0.00 0.00 58.87 57.56 1vfs n SER 269 Cb 0.50 -1.58 -0.02 0.00 -0.75 0.00 0.00 64.21 62.36 1vfs n SER 269 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1vfs n TYR 270 N -2.17 2.75 0.00 0.66 4.01 -1.26 -1.86 117.16 119.28 1vfs n TYR 270 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1vfs n TYR 270 Cb 0.24 -2.57 0.00 0.00 -0.31 0.00 0.00 39.34 36.70 1vfs n TYR 270 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vfs n GLY 271 N 2.04 2.87 3.69 2.72 0.00 -1.26 -4.01 105.19 111.25 1vfs n GLY 271 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1vfs n GLY 271 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vfs n HIS 272 N -1.99 -2.35 1.44 1.61 8.25 -0.78 -4.85 115.22 116.55 1vfs n HIS 272 Ca 0.00 0.93 0.13 0.00 -0.26 0.00 0.00 57.72 58.51 1vfs n HIS 272 Cb 0.00 -4.56 0.71 0.00 1.12 0.00 0.00 29.99 27.26 1vfs n HIS 272 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1vfs n HIS 273 N -4.58 0.00 -4.09 4.41 8.25 -1.26 -4.62 115.22 113.33 1vfs n HIS 273 Ca -0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 1vfs n HIS 273 Cb 0.60 -0.11 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 1vfs n HIS 273 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1vfs s TYR 274 N -2.23 0.44 -0.06 4.41 5.04 -1.26 -4.79 117.35 118.91 1vfs s TYR 274 Ca 0.33 -0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1vfs s TYR 274 Cb 0.17 -0.37 0.02 0.00 0.35 0.00 0.00 41.96 42.14 1vfs s TYR 274 CO 0.33 -0.07 -0.05 0.08 -1.34 0.00 0.00 175.55 174.51 1vfs s VAL 275 N 0.32 0.62 0.28 3.14 1.01 -1.26 -0.56 120.40 123.95 1vfs s VAL 275 Ca -0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1vfs s VAL 275 Cb -0.07 -0.66 -0.12 0.00 0.00 0.00 0.00 36.38 35.54 1vfs s VAL 275 CO -0.00 0.26 1.60 0.35 0.00 0.00 0.00 175.10 177.31 1vfs n THR 276 N 4.34 0.88 0.30 3.92 -2.24 -0.64 -4.83 114.28 116.01 1vfs n THR 276 Ca -0.20 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1vfs n THR 276 Cb 0.51 -1.93 0.34 0.00 -2.10 0.00 0.00 70.33 67.14 1vfs n THR 276 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1vfs h GLU 277 N 5.01 0.00 -2.74 -0.78 5.08 -1.93 0.57 114.58 119.80 1vfs h GLU 277 Ca -0.46 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.98 1vfs h GLU 277 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1vfs h GLU 277 CO 0.81 0.00 0.42 -1.54 -1.00 0.00 0.00 179.01 177.70 1vfs s SER 278 N -5.75 -0.04 0.21 1.42 1.04 -1.26 -4.60 113.70 104.72 1vfs s SER 278 Ca 0.06 -0.82 -0.32 0.00 0.48 0.00 0.00 55.95 55.35 1vfs s SER 278 Cb 0.07 0.66 -0.13 0.00 0.10 0.00 0.00 66.02 66.73 1vfs s SER 278 CO 0.62 -1.29 1.63 1.21 0.98 0.00 0.00 173.24 176.38 1vfs n GLU 279 N -0.58 2.52 -3.90 4.02 2.13 -1.26 -4.00 120.64 119.57 1vfs n GLU 279 Ca -0.06 0.90 -0.09 0.00 0.66 0.00 0.00 57.16 58.58 1vfs n GLU 279 Cb 0.60 -2.70 -0.01 0.00 0.27 0.00 0.00 31.44 29.60 1vfs n GLU 279 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1vfs s THR 280 N 0.75 0.00 -0.23 6.31 -1.32 -0.77 -4.91 115.64 115.47 1vfs s THR 280 Ca 0.73 -1.16 -0.09 0.00 -1.21 0.00 0.00 61.69 59.96 1vfs s THR 280 Cb -0.57 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 67.89 1vfs s THR 280 CO 0.39 0.00 0.11 -1.00 -2.21 0.00 0.00 174.62 171.90 1vfs s HIS 281 N -3.15 3.23 -0.03 9.09 3.76 -0.89 -0.82 115.29 126.47 1vfs s HIS 281 Ca 0.18 0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1vfs s HIS 281 Cb -0.04 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 1vfs s HIS 281 CO 0.11 -0.02 0.03 -0.51 -0.85 0.00 0.00 174.74 173.50 1vfs s LEU 282 N 1.02 3.70 -0.03 0.89 1.43 0.62 -0.14 118.68 126.17 1vfs s LEU 282 Ca 0.06 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 1vfs s LEU 282 Cb -0.14 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1vfs s LEU 282 CO 0.04 0.31 -0.18 0.00 0.23 0.00 0.00 176.35 176.74 1vfs s ALA 283 N -1.07 1.58 -0.33 4.21 0.00 -0.05 -1.37 121.76 124.74 1vfs s ALA 283 Ca 0.19 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.25 1vfs s ALA 283 Cb -0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1vfs s ALA 283 CO 0.09 0.34 0.25 -1.17 0.00 0.00 0.00 175.76 175.27 1vfs s LEU 284 N -0.24 4.40 -0.28 0.00 2.96 -0.58 -1.28 118.68 123.67 1vfs s LEU 284 Ca 0.02 -0.31 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 1vfs s LEU 284 Cb -0.09 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 1vfs s LEU 284 CO 0.01 -0.21 0.54 -0.69 -1.32 0.00 0.00 176.35 174.68 1vfs s VAL 285 N 1.77 5.03 0.00 1.68 1.01 0.07 -1.18 120.40 128.78 1vfs s VAL 285 Ca 0.07 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.81 1vfs s VAL 285 Cb -0.17 -3.88 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 1vfs s VAL 285 CO 0.11 0.00 3.37 -0.81 0.00 0.00 0.00 175.10 177.77 1vfs n PRO 286 N 5.64 1.84 -3.80 2.72 -0.04 -1.26 -1.76 135.00 138.33 1vfs n PRO 286 Ca -0.03 -0.90 -0.13 0.00 -0.04 0.00 0.00 63.50 62.40 1vfs n PRO 286 Cb 0.49 -1.93 -0.13 0.00 -0.04 0.00 0.00 33.50 31.89 1vfs n PRO 286 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vfs s ALA 287 N 1.08 -0.31 0.00 0.55 0.00 -0.97 -4.72 121.76 117.38 1vfs s ALA 287 Ca 0.60 0.46 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1vfs s ALA 287 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1vfs s ALA 287 CO 0.00 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1vfs n GLY 288 N 3.34 5.54 0.27 0.00 0.00 -1.21 -3.18 105.19 109.96 1vfs n GLY 288 Ca -0.16 -1.52 0.17 0.00 0.00 0.00 0.00 46.02 44.51 1vfs n GLY 288 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1vfs h TYR 289 N 0.03 0.00 0.00 1.61 -0.00 -0.79 -1.50 116.97 116.31 1vfs h TYR 289 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.66 1vfs h TYR 289 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1vfs h TYR 289 CO 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 178.16 177.82 1vfs h ALA 290 N 2.01 1.05 -0.00 0.10 0.00 -1.50 -2.49 119.26 118.43 1vfs h ALA 290 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1vfs h ALA 290 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vfs h ALA 290 CO 0.00 0.42 -0.39 -0.25 0.00 0.00 0.00 179.25 179.03 1vfs n ASP 291 N -3.57 0.45 0.00 0.00 9.92 -0.63 -4.51 116.55 118.21 1vfs n ASP 291 Ca -0.00 -0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1vfs n ASP 291 Cb 0.47 0.11 0.00 0.00 -0.64 0.00 0.00 41.12 41.06 1vfs n ASP 291 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vfs n GLY 292 N 1.48 1.30 3.61 0.44 0.00 -0.94 0.05 105.19 111.14 1vfs n GLY 292 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1vfs n GLY 292 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vfs s ILE 293 N -2.00 4.04 0.23 -0.61 -1.09 -0.83 -4.72 121.20 116.21 1vfs s ILE 293 Ca 0.00 1.09 -0.32 0.00 -2.23 0.00 0.00 60.65 59.19 1vfs s ILE 293 Cb 0.00 -4.29 -0.12 0.00 -1.58 0.00 0.00 42.46 36.47 1vfs s ILE 293 CO 0.00 -0.75 1.68 -0.81 -1.23 0.00 0.00 174.94 173.83 1vfs n PRO 294 N 7.83 2.71 0.27 2.79 -0.04 -1.26 -2.92 135.00 144.37 1vfs n PRO 294 Ca 0.15 0.97 0.13 0.00 -0.04 0.00 0.00 63.50 64.71 1vfs n PRO 294 Cb 0.48 -2.80 0.75 0.00 -0.04 0.00 0.00 33.50 31.89 1vfs n PRO 294 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1vfs h ARG 295 N 6.18 0.00 0.00 0.54 2.43 -1.93 -1.96 114.38 119.65 1vfs h ARG 295 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1vfs h ARG 295 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1vfs h ARG 295 CO 0.91 0.10 0.00 0.09 -1.51 0.00 0.00 179.97 179.56 1vfs n ASN 296 N -3.66 0.00 -1.02 -3.80 4.13 -1.26 -1.75 115.26 107.90 1vfs n ASN 296 Ca -0.02 0.44 0.09 0.00 1.68 0.00 0.00 54.58 56.77 1vfs n ASN 296 Cb 0.22 -0.47 0.24 0.00 -1.54 0.00 0.00 39.78 38.23 1vfs n ASN 296 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vfs n ALA 297 N -1.47 2.42 -1.67 5.41 0.00 -0.74 -4.37 120.51 120.10 1vfs n ALA 297 Ca 0.03 -0.97 -0.52 0.00 0.00 0.00 0.00 53.44 51.99 1vfs n ALA 297 Cb 0.14 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 1vfs n ALA 297 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1vfs n SER 298 N 1.10 2.90 0.00 0.00 7.64 -0.72 -0.47 113.62 124.08 1vfs n SER 298 Ca 0.18 0.94 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1vfs n SER 298 Cb 0.47 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1vfs n SER 298 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vfs n GLY 299 N 4.58 1.33 0.00 0.23 0.00 -0.91 -4.82 105.19 105.59 1vfs n GLY 299 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1vfs n GLY 299 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vfs n ARG 300 N -2.00 2.07 -1.69 1.61 1.74 0.38 -4.56 116.66 114.23 1vfs n ARG 300 Ca 0.00 0.00 -0.45 0.00 -0.77 0.00 0.00 57.85 56.63 1vfs n ARG 300 Cb 0.00 -0.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.67 1vfs n ARG 300 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vfs n GLY 301 N 1.57 1.32 3.82 -0.13 0.00 -0.06 -4.60 105.19 107.11 1vfs n GLY 301 Ca 0.00 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 1vfs n GLY 301 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vfs s PRO 302 N 1.34 4.19 -0.03 1.61 0.04 -1.26 -0.89 135.00 140.00 1vfs s PRO 302 Ca 0.79 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 62.59 1vfs s PRO 302 Cb -0.61 -2.88 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1vfs s PRO 302 CO 0.37 0.41 0.09 0.08 0.04 0.00 0.00 177.00 177.98 1vfs s VAL 303 N -1.52 -0.00 -0.35 -0.36 1.01 0.32 -4.77 120.40 114.72 1vfs s VAL 303 Ca 0.42 0.02 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 1vfs s VAL 303 Cb -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1vfs s VAL 303 CO 0.20 0.01 0.45 -0.22 0.00 0.00 0.00 175.10 175.54 1vfs s LEU 304 N 0.14 4.41 0.02 3.92 2.96 0.26 0.29 118.68 130.69 1vfs s LEU 304 Ca -0.01 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.78 1vfs s LEU 304 Cb -0.02 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1vfs s LEU 304 CO -0.00 -0.42 -0.06 -0.69 -1.32 0.00 0.00 176.35 173.86 1vfs s VAL 305 N 2.22 0.39 -1.74 1.68 1.01 -0.15 -1.92 120.40 121.88 1vfs s VAL 305 Ca 0.15 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1vfs s VAL 305 Cb -0.16 -0.43 0.19 0.00 0.00 0.00 0.00 36.38 35.97 1vfs s VAL 305 CO 0.13 -0.25 0.46 0.00 0.00 0.00 0.00 175.10 175.44 1vfs n ALA 306 N 1.99 -1.31 -1.00 5.51 0.00 -1.26 -0.08 120.51 124.37 1vfs n ALA 306 Ca -0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1vfs n ALA 306 Cb 0.56 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1vfs n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 307 N -1.31 0.94 3.12 0.00 0.00 -1.26 -5.00 105.19 101.68 1vfs n GLY 307 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1vfs n GLY 307 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vfs s LYS 308 N -0.01 0.70 -0.11 1.61 1.02 0.89 -5.12 119.74 118.72 1vfs s LYS 308 Ca 0.00 -1.09 -0.27 0.00 0.02 0.00 0.00 55.97 54.63 1vfs s LYS 308 Cb 0.00 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1vfs s LYS 308 CO 0.00 0.01 0.87 0.42 -0.92 0.00 0.00 175.35 175.73 1vfs s ILE 309 N -2.70 4.89 0.14 2.17 -1.09 -1.26 -0.98 121.20 122.37 1vfs s ILE 309 Ca 0.03 1.76 0.10 0.00 -2.23 0.00 0.00 60.65 60.30 1vfs s ILE 309 Cb -0.01 -4.19 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1vfs s ILE 309 CO -0.03 0.08 -0.20 -0.13 -1.23 0.00 0.00 174.94 173.44 1vfs s ARG 310 N 1.69 1.69 -0.08 2.79 1.81 0.15 -4.92 118.95 122.08 1vfs s ARG 310 Ca 0.43 -1.30 -0.05 0.00 -1.72 0.00 0.00 55.73 53.09 1vfs s ARG 310 Cb -0.18 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 1vfs s ARG 310 CO 0.17 0.45 0.13 1.03 -0.68 0.00 0.00 175.30 176.41 1vfs s ARG 311 N -2.34 3.37 -0.07 3.54 3.00 -1.26 -0.52 118.95 124.67 1vfs s ARG 311 Ca 0.19 -0.23 -0.35 0.00 0.00 0.00 0.00 55.73 55.33 1vfs s ARG 311 Cb -0.10 -3.10 -0.13 0.00 0.00 0.00 0.00 34.95 31.62 1vfs s ARG 311 CO 0.10 0.73 1.78 0.00 0.00 0.00 0.00 175.30 177.92 1vfs n ALA 312 N 1.65 0.68 -2.70 2.13 0.00 -0.07 -4.48 120.51 117.72 1vfs n ALA 312 Ca -0.17 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1vfs n ALA 312 Cb 0.54 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1vfs n ALA 312 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vfs s ALA 313 N 3.29 3.09 0.00 0.00 0.00 0.75 -2.48 121.76 126.41 1vfs s ALA 313 Ca 0.91 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1vfs s ALA 313 Cb -0.77 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 18.50 1vfs s ALA 313 CO 0.52 -2.63 0.00 0.41 0.00 0.00 0.00 175.76 174.06 1vfs n GLY 314 N 5.21 -1.24 3.71 0.00 0.00 -1.26 -4.52 105.19 107.09 1vfs n GLY 314 Ca 0.01 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1vfs n GLY 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vfs n ARG 315 N 0.00 2.68 -3.16 1.61 3.00 -1.26 -2.15 116.66 117.37 1vfs n ARG 315 Ca 0.00 0.96 -0.39 0.00 -0.01 0.00 0.00 57.85 58.41 1vfs n ARG 315 Cb 0.00 -2.79 -0.05 0.00 0.00 0.00 0.00 32.46 29.62 1vfs n ARG 315 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1vfs s ILE 316 N 0.97 4.91 0.59 0.55 1.01 -1.26 -4.66 121.20 123.30 1vfs s ILE 316 Ca 0.74 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.80 1vfs s ILE 316 Cb -0.53 -3.97 0.10 0.00 0.01 0.00 0.00 42.46 38.07 1vfs s ILE 316 CO 0.35 0.39 0.81 0.00 0.00 0.00 0.00 174.94 176.50 1vfs n ALA 317 N 2.88 1.21 -0.09 9.38 0.00 -0.33 -4.84 120.51 128.73 1vfs n ALA 317 Ca -0.06 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.28 1vfs n ALA 317 Cb 0.51 0.57 0.28 0.00 0.00 0.00 0.00 19.45 20.80 1vfs n ALA 317 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1vfs h MET 318 N 0.00 0.73 0.00 0.00 4.05 -1.95 0.12 114.93 117.89 1vfs h MET 318 Ca -0.27 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1vfs h MET 318 Cb 1.25 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1vfs h MET 318 CO 0.39 0.59 0.00 -0.25 0.23 0.00 0.00 176.91 177.87 1vfs n ASP 319 N -4.35 1.00 -3.63 1.39 8.00 -1.26 -1.44 116.55 116.25 1vfs n ASP 319 Ca 0.04 -1.17 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1vfs n ASP 319 Cb 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.25 1vfs n ASP 319 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vfs s GLN 320 N -0.17 0.72 0.12 -1.24 -2.07 -1.19 -2.30 119.66 113.53 1vfs s GLN 320 Ca 0.00 -0.44 -0.24 0.00 -1.82 0.00 0.00 55.36 52.85 1vfs s GLN 320 Cb 0.00 0.22 0.08 0.00 -1.09 0.00 0.00 33.01 32.22 1vfs s GLN 320 CO 0.00 -0.34 0.66 -0.59 -1.32 0.00 0.00 175.29 173.70 1vfs s PHE 321 N -2.35 -0.51 0.15 9.60 -0.12 -0.72 -1.18 117.98 122.84 1vfs s PHE 321 Ca 0.20 0.35 0.07 0.00 -0.05 0.00 0.00 56.93 57.51 1vfs s PHE 321 Cb 0.01 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.90 1vfs s PHE 321 CO 0.00 -0.78 -0.03 0.14 -0.05 0.00 0.00 175.22 174.50 1vfs s VAL 322 N -3.48 3.63 -0.03 -2.49 -7.23 -1.26 -0.75 120.40 108.79 1vfs s VAL 322 Ca 0.01 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.85 1vfs s VAL 322 Cb -0.01 -2.79 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 1vfs s VAL 322 CO -0.11 -0.04 -0.14 0.54 -0.31 0.00 0.00 175.10 175.04 1vfs s VAL 323 N -1.58 1.15 -0.34 1.32 0.11 -0.40 -0.17 120.40 120.49 1vfs s VAL 323 Ca 0.26 -0.58 -0.19 0.00 -2.93 0.00 0.00 61.98 58.55 1vfs s VAL 323 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1vfs s VAL 323 CO 0.17 0.34 0.54 -0.62 -3.33 0.00 0.00 175.10 172.20 1vfs s ASP 324 N 0.02 6.36 0.00 3.54 -1.08 -1.26 -0.87 116.67 123.39 1vfs s ASP 324 Ca -0.02 0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.40 1vfs s ASP 324 Cb -0.09 -2.28 1.00 0.00 -1.46 0.00 0.00 42.92 40.08 1vfs s ASP 324 CO 0.01 -0.47 1.71 0.18 0.52 0.00 0.00 175.17 177.12 1vfs n LEU 325 N 5.78 1.04 0.00 -1.34 4.77 0.80 -4.90 117.00 123.14 1vfs n LEU 325 Ca -0.04 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1vfs n LEU 325 Cb 0.49 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1vfs n LEU 325 CO 0.45 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1vfs n GLY 326 N 1.26 3.46 0.13 -0.72 0.00 -1.23 -2.07 105.19 106.02 1vfs n GLY 326 Ca 0.15 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1vfs n GLY 326 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vfs h GLU 327 N 0.00 0.00 -6.96 1.61 4.57 -1.92 -2.36 114.58 109.52 1vfs h GLU 327 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1vfs h GLU 327 Cb 0.00 0.00 0.19 0.00 -0.16 0.00 0.00 28.75 28.78 1vfs h GLU 327 CO 0.00 0.39 -0.03 -0.25 -1.18 0.00 0.00 179.01 177.94 1vfs n ASP 328 N -3.10 -0.12 -4.36 1.04 10.43 -0.88 -4.97 116.55 114.58 1vfs n ASP 328 Ca -0.01 0.56 -0.28 0.00 2.57 0.00 0.00 54.79 57.63 1vfs n ASP 328 Cb 0.74 -1.37 -0.13 0.00 1.84 0.00 0.00 41.12 42.20 1vfs n ASP 328 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1vfs s LEU 329 N -3.15 2.31 0.25 0.64 1.43 -1.26 -4.80 118.68 114.10 1vfs s LEU 329 Ca 0.69 -0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 1vfs s LEU 329 Cb -0.30 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 44.82 1vfs s LEU 329 CO 0.55 0.15 0.68 0.00 0.23 0.00 0.00 176.35 177.96 1vfs s ALA 330 N -1.08 -1.20 0.07 4.21 0.00 -1.26 -4.88 121.76 117.62 1vfs s ALA 330 Ca 0.12 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1vfs s ALA 330 Cb -0.10 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1vfs s ALA 330 CO 0.05 -0.97 -0.05 -1.83 0.00 0.00 0.00 175.76 172.96 1vfs s GLU 331 N -3.90 0.70 0.16 0.00 -1.05 -1.26 -4.87 118.70 108.49 1vfs s GLU 331 Ca 0.10 -1.22 -0.34 0.00 -0.15 0.00 0.00 54.97 53.36 1vfs s GLU 331 Cb -0.05 -0.03 -0.15 0.00 -0.44 0.00 0.00 34.13 33.47 1vfs s GLU 331 CO 0.03 -0.05 1.42 0.00 0.95 0.00 0.00 175.26 177.61 1vfs n ALA 332 N 0.19 0.43 0.00 -0.84 0.00 -1.26 -1.31 120.51 117.72 1vfs n ALA 332 Ca -0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1vfs n ALA 332 Cb 0.60 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1vfs n ALA 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vfs n GLY 333 N 2.70 3.04 3.74 0.00 0.00 -0.28 -4.95 105.19 109.44 1vfs n GLY 333 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1vfs n GLY 333 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vfs s ASP 334 N -1.19 4.57 0.11 1.61 -0.00 -0.43 -4.63 116.67 116.71 1vfs s ASP 334 Ca 0.00 2.15 -0.16 0.00 -0.00 0.00 0.00 52.55 54.54 1vfs s ASP 334 Cb 0.00 -2.57 -0.07 0.00 -0.00 0.00 0.00 42.92 40.29 1vfs s ASP 334 CO 0.00 -2.00 0.55 -0.70 -0.00 0.00 0.00 175.17 173.02 1vfs s GLU 335 N -4.09 4.06 -0.06 8.23 2.12 -1.26 -1.44 118.70 126.26 1vfs s GLU 335 Ca 0.70 0.58 0.02 0.00 0.36 0.00 0.00 54.97 56.63 1vfs s GLU 335 Cb -0.24 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1vfs s GLU 335 CO 0.45 0.56 -0.11 0.00 -0.54 0.00 0.00 175.26 175.61 1vfs s ALA 336 N -1.30 1.14 -0.28 6.30 0.00 0.18 -4.61 121.76 123.19 1vfs s ALA 336 Ca 0.33 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 1vfs s ALA 336 Cb -0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1vfs s ALA 336 CO 0.19 0.11 0.16 0.08 0.00 0.00 0.00 175.76 176.30 1vfs s VAL 337 N 0.62 5.00 -0.16 0.00 1.01 -0.81 -0.89 120.40 125.16 1vfs s VAL 337 Ca -0.12 -0.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.58 1vfs s VAL 337 Cb -0.15 -3.41 -0.24 0.00 0.00 0.00 0.00 36.38 32.59 1vfs s VAL 337 CO 0.03 0.23 0.60 0.40 0.00 0.00 0.00 175.10 176.35 1vfs h ILE 338 N 5.45 1.53 -3.05 2.22 2.04 -1.49 0.77 117.51 124.97 1vfs h ILE 338 Ca -0.35 -2.30 -0.17 0.00 1.00 0.00 0.00 64.86 63.04 1vfs h ILE 338 Cb 1.18 3.04 -0.27 0.00 -0.74 0.00 0.00 36.82 40.02 1vfs h ILE 338 CO 0.57 0.52 -0.43 -1.48 0.00 0.00 0.00 178.15 177.33 1vfs s LEU 339 N -8.11 0.75 0.00 1.44 0.05 -1.20 -4.55 118.68 107.05 1vfs s LEU 339 Ca -0.22 0.55 0.00 0.00 0.05 0.00 0.00 54.13 54.51 1vfs s LEU 339 Cb -0.00 0.87 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 1vfs s LEU 339 CO 0.66 -0.12 0.00 0.61 -0.55 0.00 0.00 176.35 176.95 1vfs n GLY 340 N 3.44 3.06 3.51 -3.48 0.00 0.17 -0.75 105.19 111.13 1vfs n GLY 340 Ca -0.17 0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 1vfs n GLY 340 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vfs s ASP 341 N 2.00 5.57 0.60 1.61 3.68 -1.26 -4.54 116.67 124.32 1vfs s ASP 341 Ca 0.00 -0.16 0.31 0.00 2.13 0.00 0.00 52.55 54.83 1vfs s ASP 341 Cb 0.00 -2.02 1.79 0.00 -1.45 0.00 0.00 42.92 41.24 1vfs s ASP 341 CO 0.00 -0.06 2.17 0.00 0.13 0.00 0.00 175.17 177.41 1vfs h ALA 342 N 8.31 1.61 0.00 3.66 0.00 -1.85 0.13 119.26 131.12 1vfs h ALA 342 Ca -0.36 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1vfs h ALA 342 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1vfs h ALA 342 CO 0.57 -0.16 -0.35 1.49 0.00 0.00 0.00 179.25 180.80 1vfs h GLU 343 N 0.00 0.00 -0.06 0.00 4.57 -1.93 -1.51 114.58 115.65 1vfs h GLU 343 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1vfs h GLU 343 Cb 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1vfs h GLU 343 CO -0.00 0.35 0.00 0.54 -1.18 0.00 0.00 179.01 178.72 1vfs n ARG 344 N -3.80 1.67 -0.95 1.92 1.74 0.42 -4.90 116.66 112.75 1vfs n ARG 344 Ca -0.01 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.09 1vfs n ARG 344 Cb 0.43 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1vfs n ARG 344 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vfs n GLY 345 N 1.16 0.46 3.98 -0.13 0.00 -0.57 -5.03 105.19 105.06 1vfs n GLY 345 Ca 0.18 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 1vfs n GLY 345 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vfs s GLU 346 N -1.92 3.23 0.64 1.61 2.02 -1.02 -5.00 118.70 118.26 1vfs s GLU 346 Ca 0.00 -0.93 -0.15 0.00 0.02 0.00 0.00 54.97 53.92 1vfs s GLU 346 Cb 0.00 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 1vfs s GLU 346 CO 0.00 0.19 1.08 -2.14 0.02 0.00 0.00 175.26 174.41 1vfs s PRO 347 N -4.11 3.03 0.51 0.39 0.02 -1.26 -3.94 135.00 129.65 1vfs s PRO 347 Ca 0.41 1.24 0.01 0.00 0.02 0.00 0.00 61.00 62.68 1vfs s PRO 347 Cb -0.09 -1.99 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 1vfs s PRO 347 CO 0.30 -1.05 0.01 0.95 -0.33 0.00 0.00 177.00 176.88 1vfs s THR 348 N -2.50 1.11 0.23 0.99 -4.23 -1.26 0.42 115.64 110.39 1vfs s THR 348 Ca 0.64 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.08 1vfs s THR 348 Cb -0.17 -2.13 0.21 0.00 1.34 0.00 0.00 72.50 71.74 1vfs s THR 348 CO 0.41 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.36 1vfs h ALA 349 N 1.35 1.14 -0.39 3.99 0.00 -1.94 -2.24 119.26 121.17 1vfs h ALA 349 Ca -0.44 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1vfs h ALA 349 Cb 1.32 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1vfs h ALA 349 CO 0.73 0.62 -0.07 1.49 0.00 0.00 0.00 179.25 182.02 1vfs h GLU 350 N 1.24 0.73 -0.76 0.00 4.57 -1.96 -0.03 114.58 118.37 1vfs h GLU 350 Ca 0.32 -0.27 0.12 0.00 -1.18 0.00 0.00 59.36 58.35 1vfs h GLU 350 Cb -0.03 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.43 1vfs h GLU 350 CO -0.06 0.87 0.36 -0.44 -1.18 0.00 0.00 179.01 178.56 1vfs h ASP 351 N 0.54 0.44 0.68 1.04 3.45 -1.84 0.25 116.42 120.98 1vfs h ASP 351 Ca 0.10 0.08 -0.16 0.00 0.43 0.00 0.00 57.03 57.48 1vfs h ASP 351 Cb 0.58 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1vfs h ASP 351 CO 0.03 0.22 -0.75 -0.50 -1.57 0.00 0.00 179.24 176.67 1vfs h TRP 352 N 0.57 0.07 -0.79 4.55 4.06 -1.22 -2.32 115.95 120.88 1vfs h TRP 352 Ca 0.40 -0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.26 1vfs h TRP 352 Cb 0.50 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.62 1vfs h TRP 352 CO -0.12 0.78 0.29 0.00 -3.56 0.00 0.00 178.44 175.83 1vfs h ALA 353 N 1.21 1.02 -0.18 1.49 0.00 0.63 -0.98 119.26 122.47 1vfs h ALA 353 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1vfs h ALA 353 Cb 1.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1vfs h ALA 353 CO 0.10 0.67 -0.03 1.96 0.00 0.00 0.00 179.25 181.96 1vfs h GLN 354 N 1.15 0.33 -0.83 0.00 1.08 -0.90 0.48 115.11 116.43 1vfs h GLN 354 Ca 0.26 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 1vfs h GLN 354 Cb 0.25 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 1vfs h GLN 354 CO -0.02 0.58 0.55 0.00 -0.95 0.00 0.00 178.83 178.99 1vfs h ALA 355 N 0.74 1.45 -0.57 3.87 0.00 -1.18 -2.26 119.26 121.31 1vfs h ALA 355 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vfs h ALA 355 Cb 0.45 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vfs h ALA 355 CO 0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1vfs n ALA 356 N -2.41 2.48 -3.82 0.00 0.00 -0.39 -4.31 120.51 112.06 1vfs n ALA 356 Ca 0.10 -1.04 -0.24 0.00 0.00 0.00 0.00 53.44 52.26 1vfs n ALA 356 Cb 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.57 1vfs n ALA 356 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1vfs n HIS 357 N 1.15 -1.83 -2.90 0.00 -0.00 -0.78 -4.80 115.22 106.06 1vfs n HIS 357 Ca 0.20 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.72 1vfs n HIS 357 Cb 0.52 -4.09 0.00 0.00 -0.00 0.00 0.00 29.99 26.42 1vfs n HIS 357 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1vfs n THR 358 N -4.35 0.00 -4.32 1.59 5.66 0.09 -5.04 114.28 107.91 1vfs n THR 358 Ca -0.28 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.44 1vfs n THR 358 Cb 0.67 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.34 1vfs n THR 358 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1vfs s ILE 359 N -1.38 2.88 0.51 1.09 -4.36 -1.26 -4.39 121.20 114.29 1vfs s ILE 359 Ca 0.00 -1.67 0.25 0.00 -0.26 0.00 0.00 60.65 58.97 1vfs s ILE 359 Cb 0.00 -2.38 0.42 0.00 1.25 0.00 0.00 42.46 41.75 1vfs s ILE 359 CO 0.00 -0.03 1.94 0.00 0.24 0.00 0.00 174.94 177.10 1vfs h ALA 360 N 3.30 2.53 -0.56 2.27 0.00 -1.90 -1.84 119.26 123.05 1vfs h ALA 360 Ca -0.48 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.51 1vfs h ALA 360 Cb 1.19 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1vfs h ALA 360 CO 0.50 -0.73 0.16 1.88 0.00 0.00 0.00 179.25 181.06 1vfs h TYR 361 N 0.09 0.27 0.00 0.00 0.05 -1.92 -2.03 116.97 113.43 1vfs h TYR 361 Ca 0.34 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 59.05 1vfs h TYR 361 Cb 1.21 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.90 1vfs h TYR 361 CO -0.00 0.04 -0.48 1.49 -1.05 0.00 0.00 178.16 178.15 1vfs h GLU 362 N 0.31 0.00 0.62 4.88 4.81 -1.76 -3.11 114.58 120.34 1vfs h GLU 362 Ca 0.28 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1vfs h GLU 362 Cb 0.37 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.76 1vfs h GLU 362 CO -0.33 0.48 -0.30 0.82 -0.73 0.00 0.00 179.01 178.96 1vfs h ILE 363 N 0.00 0.27 -0.39 2.32 1.08 -1.28 -2.74 117.51 116.77 1vfs h ILE 363 Ca -0.00 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.11 1vfs h ILE 363 Cb 1.17 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 1vfs h ILE 363 CO 0.06 0.03 -0.11 -0.37 -0.69 0.00 0.00 178.15 177.07 1vfs h VAL 364 N -1.04 1.25 -0.52 1.67 -1.51 -1.64 -3.26 116.25 111.19 1vfs h VAL 364 Ca -0.09 -1.11 -0.11 0.00 -1.23 0.00 0.00 66.70 64.16 1vfs h VAL 364 Cb 0.69 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 30.90 1vfs h VAL 364 CO 0.14 0.37 -0.11 0.74 -1.23 0.00 0.00 177.57 177.48 1vfs h THR 365 N 0.62 1.27 -0.17 7.19 2.02 -1.58 -3.24 112.91 119.02 1vfs h THR 365 Ca 0.11 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1vfs h THR 365 Cb 0.55 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1vfs h THR 365 CO 0.03 0.44 0.00 0.54 0.37 0.00 0.00 175.52 176.91 1vfs n ARG 366 N -4.17 1.87 -2.05 6.66 1.74 -1.03 -4.22 116.66 115.46 1vfs n ARG 366 Ca 0.01 -0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 55.84 1vfs n ARG 366 Cb 0.40 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 1vfs n ARG 366 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1vfs s ILE 367 N -1.57 3.61 1.12 0.55 -1.09 -1.22 -4.11 121.20 118.49 1vfs s ILE 367 Ca 0.15 0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 59.21 1vfs s ILE 367 Cb 0.10 -3.50 0.23 0.00 -1.58 0.00 0.00 42.46 37.71 1vfs s ILE 367 CO 0.06 -0.06 0.85 0.61 -1.23 0.00 0.00 174.94 175.17 1vfs n GLY 368 N 4.05 -1.85 0.21 6.18 0.00 0.11 -4.93 105.19 108.96 1vfs n GLY 368 Ca 0.17 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.29 1vfs n GLY 368 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1vfs h GLY 369 N -2.44 0.00 2.00 -0.02 0.00 -1.88 -2.92 103.07 97.81 1vfs h GLY 369 Ca -0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1vfs h GLY 369 CO 0.46 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.87 1vfs n ARG 370 N -2.97 0.12 -3.38 4.80 0.63 -1.26 -4.54 116.66 110.07 1vfs n ARG 370 Ca 0.04 0.37 -0.40 0.00 -0.92 0.00 0.00 57.85 56.94 1vfs n ARG 370 Cb 0.48 -1.74 -0.09 0.00 0.45 0.00 0.00 32.46 31.55 1vfs n ARG 370 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1vfs s VAL 371 N -3.21 5.15 0.50 5.15 1.01 -1.11 -5.03 120.40 122.87 1vfs s VAL 371 Ca 0.05 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.11 1vfs s VAL 371 Cb 0.09 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1vfs s VAL 371 CO 0.34 -0.01 1.10 -2.16 0.00 0.00 0.00 175.10 174.37 1vfs s PRO 372 N 2.08 3.62 -0.14 2.72 0.04 -1.26 -4.77 135.00 137.30 1vfs s PRO 372 Ca 0.14 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 1vfs s PRO 372 Cb -0.16 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1vfs s PRO 372 CO 0.11 -0.62 -0.04 1.03 0.04 0.00 0.00 177.00 177.53 1vfs s ARG 373 N -3.09 3.50 -0.13 4.56 3.00 -1.26 0.18 118.95 125.71 1vfs s ARG 373 Ca 0.68 -0.51 0.01 0.00 0.00 0.00 0.00 55.73 55.91 1vfs s ARG 373 Cb -0.23 -2.87 -0.01 0.00 0.00 0.00 0.00 34.95 31.85 1vfs s ARG 373 CO 0.26 0.34 -0.16 0.08 0.00 0.00 0.00 175.30 175.83 1vfs s VAL 374 N 0.10 2.76 -0.21 3.52 1.01 0.17 -4.94 120.40 122.81 1vfs s VAL 374 Ca -0.00 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1vfs s VAL 374 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1vfs s VAL 374 CO 0.03 0.53 0.07 -0.31 0.00 0.00 0.00 175.10 175.42 1vfs s TYR 375 N 0.48 3.19 0.12 5.22 1.51 -1.26 0.80 117.35 127.42 1vfs s TYR 375 Ca -0.11 -0.07 0.08 0.00 -1.01 0.00 0.00 57.07 55.96 1vfs s TYR 375 Cb -0.16 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 1vfs s TYR 375 CO 0.05 -0.02 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.85 1vfs s LEU 376 N 0.83 3.01 0.00 -1.29 1.43 0.12 -4.96 118.68 117.83 1vfs s LEU 376 Ca 0.04 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1vfs s LEU 376 Cb -0.14 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1vfs s LEU 376 CO 0.02 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.38 1vfs n GLY 377 N 0.57 0.15 7.00 -3.19 0.00 -1.26 -0.17 105.19 108.29 1vfs n GLY 377 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1vfs n GLY 377 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vfs n GLY 378 N 0.00 0.28 3.89 -0.02 0.00 -1.26 -4.65 105.19 103.43 1vfs n GLY 378 Ca 0.00 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 1vfs n GLY 378 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vfs s LEU 379 N 0.00 4.34 0.20 0.99 1.43 -1.26 -4.99 118.68 119.39 1vfs s LEU 379 Ca 0.00 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 53.49 1vfs s LEU 379 Cb 0.00 -2.89 0.18 0.00 0.03 0.00 0.00 46.19 43.51 1vfs s LEU 379 CO 0.00 0.19 1.61 -0.08 0.23 0.00 0.00 176.35 178.29 1vfs h GLU 380 N 3.58 -0.09 0.00 1.70 4.81 -2.02 0.11 114.58 122.67 1vfs h GLU 380 Ca -0.48 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1vfs h GLU 380 Cb 1.18 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1vfs h GLU 380 CO 0.69 -0.06 0.00 -2.39 -0.73 0.00 0.00 179.01 176.52 1vfs n HIS 381 N -5.44 0.00 -0.06 0.92 1.44 -1.26 -2.93 115.22 107.90 1vfs n HIS 381 Ca 0.06 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.64 1vfs n HIS 381 Cb 0.35 -0.44 -0.07 0.00 0.12 0.00 0.00 29.99 29.95 1vfs n HIS 381 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1vfs h HIS 382 N 0.00 0.37 -0.33 -1.40 3.86 -1.34 -3.21 115.15 113.10 1vfs h HIS 382 Ca 0.00 -0.09 -0.19 0.00 -1.16 0.00 0.00 60.37 58.93 1vfs h HIS 382 Cb 0.10 -0.09 -0.10 0.00 1.06 0.00 0.00 27.41 28.38 1vfs h HIS 382 CO 0.00 0.64 0.24 -2.39 0.86 0.00 0.00 177.93 177.29 1vfs n HIS 383 N -4.64 1.03 0.60 2.45 -0.00 -1.15 -4.11 115.22 109.40 1vfs n HIS 383 Ca -0.06 -1.19 0.12 0.00 -0.00 0.00 0.00 57.72 56.60 1vfs n HIS 383 Cb 0.30 -0.59 0.28 0.00 -0.00 0.00 0.00 29.99 29.98 1vfs n HIS 383 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1vfs n HIS 384 N 0.20 0.73 -0.22 -1.40 8.25 -1.21 -5.04 115.22 116.53 1vfs n HIS 384 Ca 0.20 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1vfs n HIS 384 Cb 0.78 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1vfs n HIS 384 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70