#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vgg n MET 65 N 0.00 2.40 -2.37 0.00 0.00 -1.26 -4.73 117.12 111.16 2vgg n MET 65 Ca 0.00 -2.20 -0.36 0.00 0.00 0.00 0.00 57.70 55.14 2vgg n MET 65 Cb 0.00 -1.48 -0.02 0.00 0.00 0.00 0.00 33.22 31.73 2vgg n MET 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2vgg s ALA 66 N -1.42 2.90 -0.01 3.04 0.00 -1.26 -4.98 121.76 120.03 2vgg s ALA 66 Ca 0.36 0.79 0.22 0.00 0.00 0.00 0.00 51.96 53.32 2vgg s ALA 66 Cb 0.21 -3.33 0.63 0.00 0.00 0.00 0.00 23.12 20.63 2vgg s ALA 66 CO 0.29 -0.53 1.70 -0.44 0.00 0.00 0.00 175.76 176.78 2vgg h ASP 67 N 1.79 0.00 -2.59 0.00 3.45 -1.95 -3.45 116.42 113.68 2vgg h ASP 67 Ca -0.49 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.40 2vgg h ASP 67 Cb 1.24 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.88 2vgg h ASP 67 CO 0.59 0.28 -0.53 0.42 -1.57 0.00 0.00 179.24 178.43 2vgg s THR 68 N -3.41 0.84 -0.02 0.35 -4.23 -1.26 -5.04 115.64 102.87 2vgg s THR 68 Ca 0.02 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.33 2vgg s THR 68 Cb 0.09 -2.40 -0.28 0.00 1.34 0.00 0.00 72.50 71.25 2vgg s THR 68 CO 0.67 0.00 1.00 0.15 -0.54 0.00 0.00 174.62 175.89 2vgg h PHE 69 N 1.76 0.59 0.04 3.99 -0.00 -1.98 0.34 116.94 121.68 2vgg h PHE 69 Ca -0.38 -0.38 0.00 0.00 -0.00 0.00 0.00 57.97 57.21 2vgg h PHE 69 Cb 1.28 -0.05 -0.01 0.00 -0.00 0.00 0.00 35.95 37.17 2vgg h PHE 69 CO 1.34 1.24 -0.12 1.25 -0.00 0.00 0.00 178.31 182.02 2vgg h LEU 70 N -0.23 -0.36 -0.96 0.59 5.85 -1.99 0.15 115.31 118.36 2vgg h LEU 70 Ca -0.11 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.76 2vgg h LEU 70 Cb 1.51 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 42.53 2vgg h LEU 70 CO 0.14 -0.13 -0.46 1.21 -0.34 0.00 0.00 178.44 178.87 2vgg n GLU 71 N -3.12 -0.31 -0.13 1.25 2.13 -1.25 -0.59 120.64 118.62 2vgg n GLU 71 Ca -0.02 1.46 -0.04 0.00 0.66 0.00 0.00 57.16 59.22 2vgg n GLU 71 Cb 0.10 -2.16 -0.04 0.00 0.27 0.00 0.00 31.44 29.61 2vgg n GLU 71 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2vgg h HIS 72 N 0.00 -0.69 -0.88 4.31 2.76 -0.48 -1.69 115.15 118.48 2vgg h HIS 72 Ca 0.26 0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.59 2vgg h HIS 72 Cb 0.50 0.34 -0.13 0.00 1.55 0.00 0.00 27.41 29.66 2vgg h HIS 72 CO -0.90 -0.15 -0.46 -0.07 -1.30 0.00 0.00 177.93 175.05 2vgg h LEU 73 N -0.03 -1.67 -0.37 0.26 3.38 0.18 0.92 115.31 117.97 2vgg h LEU 73 Ca 0.05 0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2vgg h LEU 73 Cb 0.17 0.80 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2vgg h LEU 73 CO -0.32 -0.29 0.20 0.00 0.09 0.00 0.00 178.44 178.13 2vgg n LEU 75 N -1.62 2.21 -4.66 0.00 4.77 0.32 -4.97 117.00 113.05 2vgg n LEU 75 Ca -0.00 -1.69 -0.42 0.00 -0.03 0.00 0.00 56.01 53.87 2vgg n LEU 75 Cb 0.21 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2vgg n LEU 75 CO 0.02 0.53 1.57 -0.76 -1.33 0.00 0.00 177.39 177.42 2vgg s LEU 76 N -0.85 4.41 -0.13 2.23 1.43 -0.69 -4.92 118.68 120.16 2vgg s LEU 76 Ca 0.11 2.60 -0.02 0.00 -1.03 0.00 0.00 54.13 55.79 2vgg s LEU 76 Cb 0.06 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2vgg s LEU 76 CO 0.09 -1.04 -0.05 -0.62 0.23 0.00 0.00 176.35 174.95 2vgg s ASP 77 N 4.30 4.68 0.00 2.29 -1.08 -1.26 -5.02 116.67 120.58 2vgg s ASP 77 Ca 0.86 -0.12 0.29 0.00 -0.52 0.00 0.00 52.55 53.06 2vgg s ASP 77 Cb -0.41 -1.62 1.17 0.00 -1.46 0.00 0.00 42.92 40.60 2vgg s ASP 77 CO 0.40 0.22 1.88 2.30 0.52 0.00 0.00 175.17 180.48 2vgg n ILE 78 N 3.20 0.00 0.64 4.11 -5.35 -1.26 -2.81 119.36 117.88 2vgg n ILE 78 Ca -0.18 -0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.40 2vgg n ILE 78 Cb 0.53 -0.39 0.11 0.00 -1.74 0.00 0.00 39.64 38.14 2vgg n ILE 78 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2vgg n ASP 79 N -1.46 2.79 -4.57 7.28 8.00 -1.26 -4.81 116.55 122.52 2vgg n ASP 79 Ca 0.08 -1.85 -0.34 0.00 0.71 0.00 0.00 54.79 53.39 2vgg n ASP 79 Cb 0.33 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.33 2vgg n ASP 79 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2vgg s SER 80 N -1.53 5.80 0.06 -2.24 0.15 -1.12 -4.94 113.70 109.88 2vgg s SER 80 Ca 0.26 -1.34 -0.35 0.00 0.70 0.00 0.00 55.95 55.21 2vgg s SER 80 Cb 0.17 -2.57 -0.14 0.00 -1.71 0.00 0.00 66.02 61.77 2vgg s SER 80 CO 0.25 -2.18 1.61 -0.62 1.20 0.00 0.00 173.24 173.50 2vgg n GLU 81 N 8.70 1.90 -1.28 5.44 -0.58 -1.26 -4.92 120.64 128.64 2vgg n GLU 81 Ca 0.40 0.69 -0.34 0.00 -0.42 0.00 0.00 57.16 57.49 2vgg n GLU 81 Cb 0.48 -2.45 0.11 0.00 -0.57 0.00 0.00 31.44 29.01 2vgg n GLU 81 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2vgg s PRO 82 N 1.72 1.88 -0.27 3.49 0.02 -1.26 -5.00 135.00 135.58 2vgg s PRO 82 Ca 0.84 1.84 -0.00 0.00 0.02 0.00 0.00 61.00 63.70 2vgg s PRO 82 Cb -0.76 -1.79 0.15 0.00 0.02 0.00 0.00 34.50 32.12 2vgg s PRO 82 CO 0.44 -2.06 0.42 0.08 -0.33 0.00 0.00 177.00 175.56 2vgg s VAL 83 N -1.94 -0.67 0.00 3.83 1.01 -1.26 -5.12 120.40 116.25 2vgg s VAL 83 Ca 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2vgg s VAL 83 Cb -0.31 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2vgg s VAL 83 CO 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 175.10 175.41 2vgg n ALA 84 N 5.37 0.00 -1.63 5.51 0.00 -1.26 -5.06 120.51 123.43 2vgg n ALA 84 Ca -0.01 0.00 -0.56 0.00 0.00 0.00 0.00 53.44 52.87 2vgg n ALA 84 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 2vgg n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg n ALA 85 N -1.52 -1.03 -1.19 0.00 0.00 -1.26 -4.89 120.51 110.61 2vgg n ALA 85 Ca 0.00 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2vgg n ALA 85 Cb 0.00 -2.08 0.11 0.00 0.00 0.00 0.00 19.45 17.48 2vgg n ALA 85 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2vgg s ARG 86 N 1.61 1.88 0.00 0.00 1.70 -1.26 -4.96 118.95 117.93 2vgg s ARG 86 Ca 0.91 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 57.83 2vgg s ARG 86 Cb -1.06 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 31.50 2vgg s ARG 86 CO 0.56 -2.01 0.00 0.45 -1.08 0.00 0.00 175.30 173.23 2vgg n SER 87 N -3.15 4.27 -4.65 -2.89 2.88 -1.26 -4.87 113.62 103.95 2vgg n SER 87 Ca 0.13 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.24 2vgg n SER 87 Cb 0.51 0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 64.41 2vgg n SER 87 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2vgg s THR 88 N -1.84 3.77 0.44 2.46 2.01 -1.26 -1.79 115.64 119.43 2vgg s THR 88 Ca 0.00 0.92 -0.15 0.00 0.31 0.00 0.00 61.69 62.77 2vgg s THR 88 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.78 2vgg s THR 88 CO 0.00 -0.14 0.87 -0.44 -0.69 0.00 0.00 174.62 174.22 2vgg s SER 89 N 3.28 6.64 -0.10 3.53 0.01 -0.89 -4.83 113.70 121.34 2vgg s SER 89 Ca 0.69 1.39 -0.00 0.00 1.31 0.00 0.00 55.95 59.34 2vgg s SER 89 Cb -0.28 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 2vgg s SER 89 CO 0.26 -0.45 -0.07 -0.63 0.41 0.00 0.00 173.24 172.77 2vgg s ILE 90 N -2.40 3.68 -0.17 1.44 1.01 -1.26 -2.09 121.20 121.40 2vgg s ILE 90 Ca 0.56 -0.47 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 2vgg s ILE 90 Cb -0.10 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 2vgg s ILE 90 CO 0.27 0.56 -0.09 -0.63 0.00 0.00 0.00 174.94 175.05 2vgg s ILE 91 N -0.39 3.21 -0.11 2.92 1.01 0.43 -1.24 121.20 127.03 2vgg s ILE 91 Ca 0.06 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.15 2vgg s ILE 91 Cb -0.12 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 2vgg s ILE 91 CO 0.02 0.49 -0.21 0.00 0.00 0.00 0.00 174.94 175.24 2vgg s ALA 92 N 0.78 2.29 -0.02 9.38 0.00 -0.69 -0.27 121.76 133.24 2vgg s ALA 92 Ca -0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 2vgg s ALA 92 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2vgg s ALA 92 CO 0.01 0.27 0.90 0.99 0.00 0.00 0.00 175.76 177.94 2vgg s THR 93 N 0.35 4.91 0.03 0.00 2.01 -0.96 -0.49 115.64 121.49 2vgg s THR 93 Ca -0.17 1.89 -0.25 0.00 0.31 0.00 0.00 61.69 63.47 2vgg s THR 93 Cb -0.17 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2vgg s THR 93 CO 0.08 0.19 0.79 -0.63 -0.69 0.00 0.00 174.62 174.35 2vgg s ILE 94 N 0.94 4.77 0.11 1.82 -1.09 -0.44 -2.48 121.20 124.83 2vgg s ILE 94 Ca 0.48 1.67 -0.06 0.00 -2.23 0.00 0.00 60.65 60.51 2vgg s ILE 94 Cb -0.20 -4.14 0.02 0.00 -1.58 0.00 0.00 42.46 36.56 2vgg s ILE 94 CO 0.25 0.33 0.29 0.61 -1.23 0.00 0.00 174.94 175.18 2vgg n GLY 95 N 2.53 1.49 0.44 6.18 0.00 -1.25 -4.58 105.19 110.00 2vgg n GLY 95 Ca -0.01 -1.07 0.27 0.00 0.00 0.00 0.00 46.02 45.21 2vgg n GLY 95 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vgg h PRO 96 N 0.00 0.26 0.00 1.61 0.11 -1.70 0.37 132.00 132.64 2vgg h PRO 96 Ca -0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2vgg h PRO 96 Cb 0.41 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2vgg h PRO 96 CO 0.14 0.17 0.00 0.00 -0.21 0.00 0.00 178.00 178.09 2vgg n ALA 97 N -2.56 2.57 -2.40 -0.75 0.00 -0.36 -4.04 120.51 112.97 2vgg n ALA 97 Ca 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2vgg n ALA 97 Cb 0.99 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 19.02 2vgg n ALA 97 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2vgg n SER 98 N -1.03 -1.09 0.00 0.00 3.41 0.12 -4.85 113.62 110.19 2vgg n SER 98 Ca 0.21 -1.89 0.11 0.00 -0.26 0.00 0.00 58.87 57.04 2vgg n SER 98 Cb 0.11 0.46 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 2vgg n SER 98 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2vgg n ARG 99 N -0.86 0.49 -2.21 4.33 0.63 -0.89 -4.45 116.66 113.71 2vgg n ARG 99 Ca -0.18 -0.13 -0.42 0.00 -0.92 0.00 0.00 57.85 56.20 2vgg n ARG 99 Cb 0.75 -1.54 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 2vgg n ARG 99 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2vgg s SER 100 N -4.20 6.82 0.22 6.15 1.04 -1.26 -4.84 113.70 117.63 2vgg s SER 100 Ca -0.04 2.02 0.04 0.00 0.48 0.00 0.00 55.95 58.46 2vgg s SER 100 Cb 0.14 -2.54 0.62 0.00 0.10 0.00 0.00 66.02 64.33 2vgg s SER 100 CO 0.89 -0.80 1.08 0.52 0.98 0.00 0.00 173.24 175.91 2vgg n VAL 101 N 5.16 -0.29 -0.15 5.02 0.31 -1.26 0.20 118.33 127.32 2vgg n VAL 101 Ca 0.15 1.49 -0.11 0.00 -0.01 0.00 0.00 64.34 65.85 2vgg n VAL 101 Cb 0.44 -2.22 -0.01 0.00 -0.91 0.00 0.00 33.84 31.14 2vgg n VAL 101 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2vgg h GLU 102 N 0.00 0.93 -0.55 5.55 4.39 -1.97 -0.39 114.58 122.55 2vgg h GLU 102 Ca 0.45 -0.40 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 2vgg h GLU 102 Cb 1.01 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2vgg h GLU 102 CO -0.62 1.06 0.04 -0.09 -1.16 0.00 0.00 179.01 178.24 2vgg h ARG 103 N 0.77 0.94 0.08 2.33 9.65 -0.63 -2.12 114.38 125.40 2vgg h ARG 103 Ca 0.11 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.72 2vgg h ARG 103 Cb 0.76 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 2vgg h ARG 103 CO 0.06 0.93 -0.09 -0.07 2.80 0.00 0.00 179.97 183.60 2vgg h LEU 104 N 0.82 -0.24 -0.83 3.80 -0.00 -0.76 0.11 115.31 118.20 2vgg h LEU 104 Ca 0.16 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.22 2vgg h LEU 104 Cb 0.47 0.09 -0.10 0.00 -0.00 0.00 0.00 40.66 41.12 2vgg h LEU 104 CO 0.02 -0.14 0.40 0.11 -0.00 0.00 0.00 178.44 178.83 2vgg h LYS 105 N -0.20 0.54 -0.12 1.13 1.57 -0.99 0.58 116.57 119.09 2vgg h LYS 105 Ca 0.01 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2vgg h LYS 105 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2vgg h LYS 105 CO -0.04 0.36 0.05 0.93 -0.57 0.00 0.00 179.45 180.19 2vgg h GLU 106 N 0.56 0.12 0.00 3.15 5.08 -0.37 -1.79 114.58 121.32 2vgg h GLU 106 Ca 0.46 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 2vgg h GLU 106 Cb 0.69 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2vgg h GLU 106 CO -0.39 0.08 -0.11 0.52 -1.00 0.00 0.00 179.01 178.11 2vgg h MET 107 N 0.12 0.00 0.20 2.33 2.86 0.20 -1.68 114.93 118.96 2vgg h MET 107 Ca 0.05 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2vgg h MET 107 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2vgg h MET 107 CO -0.04 0.11 -0.09 0.82 1.06 0.00 0.00 176.91 178.77 2vgg h ILE 108 N 0.00 0.90 -1.06 -1.22 2.04 -0.34 -1.52 117.51 116.30 2vgg h ILE 108 Ca -0.00 -0.79 0.29 0.00 1.00 0.00 0.00 64.86 65.35 2vgg h ILE 108 Cb 0.20 1.34 -0.11 0.00 -0.74 0.00 0.00 36.82 37.51 2vgg h ILE 108 CO 0.01 0.17 0.66 0.11 0.00 0.00 0.00 178.15 179.11 2vgg h LYS 109 N -0.68 0.39 0.00 2.37 1.57 -0.82 -1.15 116.57 118.25 2vgg h LYS 109 Ca -0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2vgg h LYS 109 Cb 0.48 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2vgg h LYS 109 CO 0.04 0.25 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 2vgg h ALA 110 N 1.67 1.00 0.00 3.86 0.00 -0.97 -3.47 119.26 121.35 2vgg h ALA 110 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 2vgg h ALA 110 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2vgg h ALA 110 CO -0.39 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.27 2vgg n GLY 111 N 1.00 0.43 3.76 0.00 0.00 -0.43 -4.44 105.19 105.50 2vgg n GLY 111 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2vgg n GLY 111 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2vgg n MET 112 N 0.00 2.58 -0.00 1.61 0.00 -0.65 -4.46 117.12 116.20 2vgg n MET 112 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 57.70 58.60 2vgg n MET 112 Cb 0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 33.22 30.59 2vgg n MET 112 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2vgg n ASN 113 N 0.84 4.68 -4.28 6.12 4.13 -0.37 -4.78 115.26 121.60 2vgg n ASN 113 Ca 0.03 -0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.01 2vgg n ASN 113 Cb 0.38 0.47 -0.15 0.00 -1.54 0.00 0.00 39.78 38.93 2vgg n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vgg s ILE 114 N -2.02 1.87 -0.22 2.41 1.01 -0.81 -0.40 121.20 123.04 2vgg s ILE 114 Ca -0.01 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.46 2vgg s ILE 114 Cb 0.00 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2vgg s ILE 114 CO 0.04 0.44 0.07 0.00 0.00 0.00 0.00 174.94 175.48 2vgg s ALA 115 N -0.64 3.28 -0.22 9.38 0.00 0.55 -1.70 121.76 132.40 2vgg s ALA 115 Ca 0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 2vgg s ALA 115 Cb -0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2vgg s ALA 115 CO 0.00 -0.17 0.11 0.50 0.00 0.00 0.00 175.76 176.20 2vgg s ARG 116 N 1.02 3.94 -0.37 0.00 3.52 0.35 0.12 118.95 127.53 2vgg s ARG 116 Ca 0.04 -0.35 -0.14 0.00 -0.13 0.00 0.00 55.73 55.16 2vgg s ARG 116 Cb -0.14 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.87 2vgg s ARG 116 CO 0.03 0.07 0.27 -0.51 -0.81 0.00 0.00 175.30 174.34 2vgg s LEU 117 N 0.98 4.81 -0.88 -0.88 1.43 0.23 -1.32 118.68 123.05 2vgg s LEU 117 Ca 0.05 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.28 2vgg s LEU 117 Cb -0.14 -2.15 0.09 0.00 0.03 0.00 0.00 46.19 44.03 2vgg s LEU 117 CO 0.03 -0.34 1.17 0.21 0.23 0.00 0.00 176.35 177.65 2vgg s ASN 118 N 1.70 6.47 0.00 2.29 3.84 -1.26 -0.70 114.94 127.28 2vgg s ASN 118 Ca 0.05 -1.59 0.02 0.00 0.21 0.00 0.00 52.86 51.56 2vgg s ASN 118 Cb -0.18 -2.45 0.12 0.00 -0.55 0.00 0.00 41.25 38.19 2vgg s ASN 118 CO 0.10 -1.29 0.42 0.49 -2.79 0.00 0.00 177.10 174.03 2vgg n PHE 119 N 7.49 0.00 0.39 0.43 3.01 -0.29 -1.82 117.46 126.68 2vgg n PHE 119 Ca 0.19 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.73 2vgg n PHE 119 Cb 0.49 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 40.30 2vgg n PHE 119 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2vgg n SER 120 N -0.74 0.23 -3.93 4.37 7.64 -1.26 -4.48 113.62 115.44 2vgg n SER 120 Ca 0.02 0.56 -0.10 0.00 1.01 0.00 0.00 58.87 60.36 2vgg n SER 120 Cb 0.01 -0.61 -0.11 0.00 -1.01 0.00 0.00 64.21 62.49 2vgg n SER 120 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2vgg s HIS 121 N -3.13 0.15 0.19 1.43 3.76 -0.75 -5.08 115.29 111.86 2vgg s HIS 121 Ca 0.05 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 2vgg s HIS 121 Cb 0.08 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2vgg s HIS 121 CO 0.27 -0.22 0.00 0.41 -0.85 0.00 0.00 174.74 174.34 2vgg n GLY 122 N 1.60 -2.96 3.94 -2.22 0.00 -1.26 -4.89 105.19 99.41 2vgg n GLY 122 Ca -0.23 -1.27 -0.27 0.00 0.00 0.00 0.00 46.02 44.24 2vgg n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 123 N -4.59 3.86 0.13 1.61 1.04 -1.26 -4.94 113.70 109.54 2vgg s SER 123 Ca 0.00 0.18 -0.18 0.00 0.48 0.00 0.00 55.95 56.42 2vgg s SER 123 Cb 0.00 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 2vgg s SER 123 CO 0.00 -2.23 1.76 0.45 0.98 0.00 0.00 173.24 174.20 2vgg h HIS 124 N -1.11 0.38 -0.84 5.02 -0.00 -2.00 -1.65 115.15 114.94 2vgg h HIS 124 Ca -0.42 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.05 2vgg h HIS 124 Cb 1.27 -0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 28.49 2vgg h HIS 124 CO -0.52 0.28 0.55 0.93 -0.00 0.00 0.00 177.93 179.17 2vgg h GLU 125 N 0.37 0.74 -0.25 2.45 3.07 -1.99 -1.10 114.58 117.87 2vgg h GLU 125 Ca 0.10 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.83 2vgg h GLU 125 Cb 0.01 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2vgg h GLU 125 CO -0.02 0.49 -0.21 -0.92 -1.40 0.00 0.00 179.01 176.95 2vgg h TYR 126 N 0.77 0.51 0.17 4.33 3.20 -1.68 -2.32 116.97 121.94 2vgg h TYR 126 Ca 0.40 -0.10 -0.30 0.00 3.14 0.00 0.00 58.73 61.87 2vgg h TYR 126 Cb 0.49 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.65 2vgg h TYR 126 CO -0.00 0.64 -1.40 0.45 -1.64 0.00 0.00 178.16 176.21 2vgg h HIS 127 N 0.41 0.64 -0.89 -3.82 3.86 -1.12 -2.87 115.15 111.35 2vgg h HIS 127 Ca 0.07 -0.47 0.18 0.00 -1.16 0.00 0.00 60.37 58.99 2vgg h HIS 127 Cb 0.60 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.98 2vgg h HIS 127 CO 0.02 1.40 0.58 0.00 0.86 0.00 0.00 177.93 180.80 2vgg h ALA 128 N 0.42 2.06 -0.51 2.45 0.00 -1.01 0.35 119.26 123.02 2vgg h ALA 128 Ca -0.20 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2vgg h ALA 128 Cb 2.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 2vgg h ALA 128 CO 0.21 -0.34 -0.13 0.93 0.00 0.00 0.00 179.25 179.93 2vgg h GLU 129 N 0.50 0.99 -0.66 0.00 5.08 -1.37 -0.06 114.58 119.06 2vgg h GLU 129 Ca 0.47 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2vgg h GLU 129 Cb 1.01 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 2vgg h GLU 129 CO -0.20 1.05 0.34 0.77 -1.00 0.00 0.00 179.01 179.98 2vgg h SER 130 N 0.85 0.85 0.08 1.42 0.02 -0.78 -1.30 113.55 114.69 2vgg h SER 130 Ca 0.13 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2vgg h SER 130 Cb 0.69 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2vgg h SER 130 CO 0.05 0.72 -0.04 0.40 -1.14 0.00 0.00 176.83 176.82 2vgg h ILE 131 N 0.91 1.14 -0.88 3.27 2.04 -1.04 0.13 117.51 123.08 2vgg h ILE 131 Ca 0.23 -0.88 0.24 0.00 1.00 0.00 0.00 64.86 65.44 2vgg h ILE 131 Cb 0.08 1.70 -0.14 0.00 -0.74 0.00 0.00 36.82 37.72 2vgg h ILE 131 CO -0.03 0.21 0.21 0.00 0.00 0.00 0.00 178.15 178.55 2vgg h ALA 132 N 0.34 1.25 0.05 1.87 0.00 -0.94 0.67 119.26 122.50 2vgg h ALA 132 Ca -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2vgg h ALA 132 Cb 0.44 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2vgg h ALA 132 CO 0.02 -0.48 -0.02 -0.91 0.00 0.00 0.00 179.25 177.86 2vgg h ASN 133 N 0.19 -0.05 -0.30 0.00 -0.26 -0.72 -0.81 115.58 113.62 2vgg h ASN 133 Ca 0.55 -0.59 0.05 0.00 -0.56 0.00 0.00 56.30 55.75 2vgg h ASN 133 Cb 1.12 0.01 -0.08 0.00 -1.06 0.00 0.00 38.32 38.31 2vgg h ASN 133 CO -0.67 0.60 -0.50 0.58 -1.06 0.00 0.00 177.43 176.38 2vgg h VAL 134 N -0.75 0.05 -0.99 2.81 2.07 -0.33 0.69 116.25 119.81 2vgg h VAL 134 Ca -0.01 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.74 2vgg h VAL 134 Cb 0.64 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.34 2vgg h VAL 134 CO 0.01 0.00 0.58 0.03 0.02 0.00 0.00 177.57 178.21 2vgg h ARG 135 N -0.44 0.60 -0.04 1.57 3.08 -0.87 0.27 114.38 118.56 2vgg h ARG 135 Ca 0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2vgg h ARG 135 Cb 0.62 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2vgg h ARG 135 CO -0.52 0.40 -0.02 1.49 -1.07 0.00 0.00 179.97 180.25 2vgg h GLU 136 N 0.62 0.08 -0.57 0.04 4.81 0.12 -0.47 114.58 119.20 2vgg h GLU 136 Ca 0.61 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.91 2vgg h GLU 136 Cb 1.10 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 2vgg h GLU 136 CO -0.45 0.46 0.16 0.00 -0.73 0.00 0.00 179.01 178.45 2vgg h ALA 137 N 0.61 0.70 0.34 2.92 0.00 0.17 -2.68 119.26 121.33 2vgg h ALA 137 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2vgg h ALA 137 Cb 0.44 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2vgg h ALA 137 CO 0.01 -0.26 -0.16 0.28 0.00 0.00 0.00 179.25 179.11 2vgg h VAL 138 N 0.31 0.67 0.00 0.00 2.07 -0.34 -2.76 116.25 116.21 2vgg h VAL 138 Ca 0.29 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2vgg h VAL 138 Cb 0.39 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2vgg h VAL 138 CO -0.34 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 176.70 2vgg n GLU 139 N -5.21 0.02 0.14 1.57 -0.58 -0.20 -1.60 120.64 114.78 2vgg n GLU 139 Ca -0.10 0.30 0.11 0.00 -0.42 0.00 0.00 57.16 57.05 2vgg n GLU 139 Cb 0.25 -1.50 0.52 0.00 -0.57 0.00 0.00 31.44 30.14 2vgg n GLU 139 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2vgg n SER 140 N -1.47 0.58 -0.69 1.62 3.41 -1.02 -1.36 113.62 114.68 2vgg n SER 140 Ca 0.03 0.71 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 2vgg n SER 140 Cb 0.12 -0.80 0.07 0.00 -0.26 0.00 0.00 64.21 63.33 2vgg n SER 140 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2vgg n PHE 141 N -2.21 0.00 0.36 7.33 3.01 -0.63 -4.44 117.46 120.89 2vgg n PHE 141 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 2vgg n PHE 141 Cb 0.12 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.76 2vgg n PHE 141 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vgg n ALA 142 N 0.92 1.71 0.29 4.37 0.00 -0.47 -2.88 120.51 124.44 2vgg n ALA 142 Ca 0.10 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.56 2vgg n ALA 142 Cb 0.44 -1.09 0.22 0.00 0.00 0.00 0.00 19.45 19.02 2vgg n ALA 142 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vgg n GLY 143 N -0.64 -0.83 2.95 0.00 0.00 -1.26 -4.22 105.19 101.19 2vgg n GLY 143 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2vgg n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vgg s SER 144 N -3.15 0.05 0.51 1.61 0.01 -1.14 -5.03 113.70 106.56 2vgg s SER 144 Ca 0.04 -0.82 0.24 0.00 1.31 0.00 0.00 55.95 56.72 2vgg s SER 144 Cb 0.06 1.19 1.33 0.00 0.21 0.00 0.00 66.02 68.81 2vgg s SER 144 CO 0.17 -0.28 1.97 -0.65 0.41 0.00 0.00 173.24 174.86 2vgg h PRO 145 N 7.54 0.09 0.00 12.44 0.11 -1.85 0.81 132.00 151.14 2vgg h PRO 145 Ca -0.01 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2vgg h PRO 145 Cb 1.12 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2vgg h PRO 145 CO 0.20 0.06 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.91 2vgg h LEU 146 N 0.09 0.00 0.00 2.35 3.38 -1.95 -3.24 115.31 115.94 2vgg h LEU 146 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2vgg h LEU 146 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2vgg h LEU 146 CO -0.03 0.06 -0.80 -1.20 0.09 0.00 0.00 178.44 176.57 2vgg n SER 147 N -3.28 1.29 -4.66 -0.43 7.64 0.24 -4.78 113.62 109.65 2vgg n SER 147 Ca -0.01 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 58.99 2vgg n SER 147 Cb 0.26 1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 64.59 2vgg n SER 147 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vgg n TYR 148 N -1.44 2.47 -3.39 1.43 9.36 -0.99 -4.96 117.16 119.63 2vgg n TYR 148 Ca 0.00 -0.35 -0.42 0.00 3.32 0.00 0.00 57.90 60.46 2vgg n TYR 148 Cb 0.18 -2.79 -0.09 0.00 -0.63 0.00 0.00 39.34 36.00 2vgg n TYR 148 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2vgg s ARG 149 N 4.60 3.25 1.16 2.98 0.52 -1.26 -4.85 118.95 125.35 2vgg s ARG 149 Ca 0.90 -0.69 -0.14 0.00 -0.52 0.00 0.00 55.73 55.28 2vgg s ARG 149 Cb -0.44 -3.90 0.27 0.00 0.52 0.00 0.00 34.95 31.40 2vgg s ARG 149 CO 0.42 -0.70 1.04 -2.14 0.02 0.00 0.00 175.30 173.94 2vgg s PRO 150 N 1.98 -0.85 -0.16 3.54 0.02 -1.26 -5.01 135.00 133.26 2vgg s PRO 150 Ca 0.10 0.58 -0.08 0.00 0.02 0.00 0.00 61.00 61.62 2vgg s PRO 150 Cb -0.17 -1.58 0.06 0.00 0.02 0.00 0.00 34.50 32.82 2vgg s PRO 150 CO 0.12 -3.61 0.37 0.08 -0.33 0.00 0.00 177.00 173.64 2vgg s VAL 151 N -2.63 -0.11 0.60 3.83 1.01 -1.26 -4.92 120.40 116.91 2vgg s VAL 151 Ca 0.68 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 2vgg s VAL 151 Cb -0.21 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2vgg s VAL 151 CO 0.61 0.05 0.92 0.00 0.00 0.00 0.00 175.10 176.68 2vgg s ALA 152 N 1.56 3.25 -0.13 5.51 0.00 0.46 -4.87 121.76 127.53 2vgg s ALA 152 Ca -0.08 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2vgg s ALA 152 Cb -0.09 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2vgg s ALA 152 CO -0.12 -0.80 -0.16 0.42 0.00 0.00 0.00 175.76 175.10 2vgg s ILE 153 N -3.02 1.65 -0.17 0.00 1.01 -1.26 -0.33 121.20 119.07 2vgg s ILE 153 Ca 0.54 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 2vgg s ILE 153 Cb -0.11 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2vgg s ILE 153 CO 0.46 0.47 -0.15 0.00 0.00 0.00 0.00 174.94 175.73 2vgg s ALA 154 N 1.14 2.51 -0.29 9.38 0.00 0.33 -1.10 121.76 133.73 2vgg s ALA 154 Ca -0.02 -1.09 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 2vgg s ALA 154 Cb -0.14 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2vgg s ALA 154 CO -0.05 -0.14 0.96 -1.17 0.00 0.00 0.00 175.76 175.36 2vgg s LEU 155 N 0.98 4.03 -0.31 0.00 0.20 0.50 -0.60 118.68 123.48 2vgg s LEU 155 Ca -0.02 1.01 -0.12 0.00 0.69 0.00 0.00 54.13 55.70 2vgg s LEU 155 Cb -0.15 -3.37 -0.03 0.00 -0.43 0.00 0.00 46.19 42.21 2vgg s LEU 155 CO -0.03 -0.72 0.21 -0.62 -0.29 0.00 0.00 176.35 174.90 2vgg s ASP 156 N 1.50 5.96 0.49 3.68 -1.08 0.12 -0.91 116.67 126.44 2vgg s ASP 156 Ca 0.40 -0.27 -0.20 0.00 -0.52 0.00 0.00 52.55 51.96 2vgg s ASP 156 Cb -0.14 -2.11 -0.08 0.00 -1.46 0.00 0.00 42.92 39.13 2vgg s ASP 156 CO 0.11 -0.16 1.04 0.28 0.52 0.00 0.00 175.17 176.97 2vgg s THR 157 N 1.72 3.79 -0.03 1.71 -1.32 -0.87 -1.14 115.64 119.50 2vgg s THR 157 Ca 0.06 1.10 -0.23 0.00 -1.21 0.00 0.00 61.69 61.41 2vgg s THR 157 Cb -0.17 -3.45 -0.22 0.00 -1.51 0.00 0.00 72.50 67.15 2vgg s THR 157 CO 0.10 -0.25 1.08 0.50 -2.21 0.00 0.00 174.62 173.84 2vgg h LYS 158 N 1.51 0.22 0.00 7.08 3.64 -1.93 -3.39 116.57 123.70 2vgg h LYS 158 Ca -0.49 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 58.70 2vgg h LYS 158 Cb 1.22 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2vgg h LYS 158 CO 0.59 0.91 -0.04 0.41 -2.27 0.00 0.00 179.45 179.05 2vgg n GLY 159 N 0.93 -0.70 3.00 5.01 0.00 -1.26 -4.30 105.19 107.87 2vgg n GLY 159 Ca -0.09 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2vgg n GLY 159 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2vgg n PRO 160 N -1.55 2.52 -1.72 1.61 -0.04 -1.26 -4.97 135.00 129.59 2vgg n PRO 160 Ca 0.00 -2.53 -0.30 0.00 -0.04 0.00 0.00 63.50 60.64 2vgg n PRO 160 Cb 0.05 -3.26 0.17 0.00 -0.04 0.00 0.00 33.50 30.42 2vgg n PRO 160 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2vgg s GLU 161 N 3.98 0.63 -0.04 0.54 2.02 -1.26 -5.03 118.70 119.54 2vgg s GLU 161 Ca 0.52 -0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.37 2vgg s GLU 161 Cb 0.12 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.55 2vgg s GLU 161 CO -0.00 -2.46 -0.05 0.42 0.02 0.00 0.00 175.26 173.18 2vgg s ILE 162 N -3.59 0.59 0.06 -1.63 1.01 -1.26 -4.97 121.20 111.41 2vgg s ILE 162 Ca 0.70 -0.17 0.03 0.00 0.00 0.00 0.00 60.65 61.20 2vgg s ILE 162 Cb -0.08 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2vgg s ILE 162 CO 0.53 0.23 -0.09 -0.13 0.00 0.00 0.00 174.94 175.48 2vgg s ARG 163 N 0.79 0.65 1.03 2.79 0.52 -1.26 -1.36 118.95 122.12 2vgg s ARG 163 Ca -0.11 -0.93 -0.14 0.00 -0.52 0.00 0.00 55.73 54.03 2vgg s ARG 163 Cb -0.14 -0.38 0.20 0.00 0.52 0.00 0.00 34.95 35.16 2vgg s ARG 163 CO 0.01 0.06 1.13 0.95 0.02 0.00 0.00 175.30 177.47 2vgg s THR 164 N -1.85 1.89 0.00 0.02 -4.23 -0.35 -2.43 115.64 108.68 2vgg s THR 164 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2vgg s THR 164 Cb -0.07 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2vgg s THR 164 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2vgg n GLY 165 N -1.61 -0.64 3.71 3.99 0.00 -0.82 -3.70 105.19 106.13 2vgg n GLY 165 Ca 0.08 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2vgg n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vgg s ILE 166 N -0.47 4.93 0.60 -0.61 1.09 -1.19 0.41 121.20 125.96 2vgg s ILE 166 Ca 0.00 1.83 -0.18 0.00 -1.10 0.00 0.00 60.65 61.20 2vgg s ILE 166 Cb 0.00 -4.22 -0.06 0.00 -1.06 0.00 0.00 42.46 37.13 2vgg s ILE 166 CO 0.00 0.19 0.82 -0.11 -0.10 0.00 0.00 174.94 175.74 2vgg n LEU 167 N 3.88 2.78 -4.50 2.97 7.94 -1.23 -3.81 117.00 125.03 2vgg n LEU 167 Ca 0.03 0.77 -0.44 0.00 -1.11 0.00 0.00 56.01 55.27 2vgg n LEU 167 Cb 0.51 -1.32 -0.07 0.00 0.53 0.00 0.00 43.42 43.07 2vgg n LEU 167 CO 0.50 -2.28 1.95 1.67 -1.11 0.00 0.00 177.39 178.13 2vgg n GLN 168 N -0.76 0.97 -3.21 1.96 7.27 0.11 -1.81 117.38 121.90 2vgg n GLN 168 Ca 0.13 0.17 -0.15 0.00 0.07 0.00 0.00 57.00 57.23 2vgg n GLN 168 Cb 0.48 -2.68 0.07 0.00 2.41 0.00 0.00 30.24 30.52 2vgg n GLN 168 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vgg n GLY 169 N 6.30 -0.96 0.00 1.69 0.00 -1.26 -4.95 105.19 106.01 2vgg n GLY 169 Ca 0.43 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.93 2vgg n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vgg n GLY 170 N -1.22 -1.10 0.00 -0.02 0.00 -0.75 -4.91 105.19 97.19 2vgg n GLY 170 Ca -0.10 0.89 0.05 0.00 0.00 0.00 0.00 46.02 46.86 2vgg n GLY 170 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2vgg n PRO 171 N 0.00 0.77 0.00 1.61 -0.02 -1.26 -3.23 135.00 132.86 2vgg n PRO 171 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2vgg n PRO 171 Cb 0.00 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2vgg n PRO 171 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2vgg n GLU 172 N -0.69 0.00 -2.86 -0.52 4.71 -1.26 -4.86 120.64 115.16 2vgg n GLU 172 Ca 0.07 -0.27 -0.19 0.00 -0.01 0.00 0.00 57.16 56.76 2vgg n GLU 172 Cb 0.03 -0.34 0.04 0.00 -1.01 0.00 0.00 31.44 30.16 2vgg n GLU 172 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2vgg s SER 173 N 0.00 5.33 -0.13 1.62 1.04 -1.20 -4.95 113.70 115.40 2vgg s SER 173 Ca 0.00 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2vgg s SER 173 Cb 0.00 -0.52 0.02 0.00 0.10 0.00 0.00 66.02 65.62 2vgg s SER 173 CO 0.00 -1.08 -0.14 -1.61 0.98 0.00 0.00 173.24 171.39 2vgg s GLU 174 N -4.60 2.22 -0.11 4.02 2.02 -1.26 -4.33 118.70 116.66 2vgg s GLU 174 Ca 0.58 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.97 2vgg s GLU 174 Cb -0.09 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 2vgg s GLU 174 CO 0.37 -0.19 0.10 0.08 0.02 0.00 0.00 175.26 175.64 2vgg s VAL 175 N 1.35 5.18 -0.23 2.63 1.01 -0.75 -4.95 120.40 124.65 2vgg s VAL 175 Ca 0.01 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2vgg s VAL 175 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2vgg s VAL 175 CO -0.08 0.62 0.34 -0.70 0.00 0.00 0.00 175.10 175.28 2vgg s GLU 176 N -0.99 4.11 -0.23 2.72 2.12 -1.26 -0.19 118.70 124.98 2vgg s GLU 176 Ca 0.15 0.06 -0.21 0.00 0.36 0.00 0.00 54.97 55.32 2vgg s GLU 176 Cb -0.12 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 2vgg s GLU 176 CO 0.04 -0.08 0.66 -0.51 -0.54 0.00 0.00 175.26 174.83 2vgg s LEU 177 N 1.44 4.09 0.01 2.70 1.43 0.65 -4.83 118.68 124.17 2vgg s LEU 177 Ca 0.15 0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 53.90 2vgg s LEU 177 Cb -0.15 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 2vgg s LEU 177 CO 0.08 -0.36 0.45 -0.69 0.23 0.00 0.00 176.35 176.06 2vgg s VAL 178 N 2.35 4.97 0.18 -1.59 1.01 -1.26 -0.43 120.40 125.64 2vgg s VAL 178 Ca 0.28 0.94 -0.33 0.00 0.00 0.00 0.00 61.98 62.87 2vgg s VAL 178 Cb -0.16 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2vgg s VAL 178 CO 0.09 0.55 1.59 1.17 0.00 0.00 0.00 175.10 178.50 2vgg n LYS 179 N 1.98 2.28 -0.44 2.72 4.81 -1.26 -2.76 118.16 125.48 2vgg n LYS 179 Ca -0.12 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 2vgg n LYS 179 Cb 0.52 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.97 2vgg n LYS 179 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vgg n GLY 180 N 3.35 1.28 3.87 3.14 0.00 -0.40 -4.98 105.19 111.45 2vgg n GLY 180 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2vgg n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 181 N -3.13 6.59 0.32 1.61 1.04 -1.11 -4.73 113.70 114.28 2vgg s SER 181 Ca 0.00 1.14 -0.28 0.00 0.48 0.00 0.00 55.95 57.29 2vgg s SER 181 Cb 0.00 -2.32 -0.09 0.00 0.10 0.00 0.00 66.02 63.70 2vgg s SER 181 CO 0.00 -0.32 1.11 -1.10 0.98 0.00 0.00 173.24 173.91 2vgg s GLN 182 N -3.55 4.48 0.01 4.02 1.11 -1.26 -0.31 119.66 124.16 2vgg s GLN 182 Ca 0.52 1.78 0.00 0.00 0.01 0.00 0.00 55.36 57.66 2vgg s GLN 182 Cb -0.10 -3.01 -0.01 0.00 -1.01 0.00 0.00 33.01 28.88 2vgg s GLN 182 CO 0.27 0.07 -0.01 0.08 0.01 0.00 0.00 175.29 175.70 2vgg s VAL 183 N -1.28 0.05 -0.15 1.09 1.01 0.22 -4.65 120.40 116.69 2vgg s VAL 183 Ca 0.48 -0.42 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 2vgg s VAL 183 Cb -0.30 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 2vgg s VAL 183 CO 0.39 -0.23 0.07 -0.22 0.00 0.00 0.00 175.10 175.11 2vgg s LEU 184 N -0.67 3.90 -0.23 3.92 2.96 0.34 -0.96 118.68 127.94 2vgg s LEU 184 Ca -0.07 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.95 2vgg s LEU 184 Cb -0.05 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2vgg s LEU 184 CO -0.00 0.26 0.03 -0.69 -1.32 0.00 0.00 176.35 174.63 2vgg s VAL 185 N -0.14 4.03 0.28 1.68 1.01 -1.09 -0.37 120.40 125.79 2vgg s VAL 185 Ca 0.07 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.87 2vgg s VAL 185 Cb -0.12 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 2vgg s VAL 185 CO 0.01 0.38 0.04 0.42 0.00 0.00 0.00 175.10 175.95 2vgg s THR 186 N 1.45 3.46 0.00 3.92 -4.23 0.14 -2.78 115.64 117.60 2vgg s THR 186 Ca 0.05 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 2vgg s THR 186 Cb -0.15 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2vgg s THR 186 CO 0.02 -0.34 0.82 1.33 -0.54 0.00 0.00 174.62 175.91 2vgg n VAL 187 N -0.96 0.66 -2.39 2.29 0.24 -1.26 -1.03 118.33 115.87 2vgg n VAL 187 Ca -0.06 -0.81 -0.43 0.00 -2.04 0.00 0.00 64.34 61.00 2vgg n VAL 187 Cb 0.59 0.68 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 2vgg n VAL 187 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2vgg s ASP 188 N -0.66 6.57 0.20 -1.34 -1.08 -1.26 -4.87 116.67 114.24 2vgg s ASP 188 Ca 0.00 1.12 -0.06 0.00 -0.52 0.00 0.00 52.55 53.09 2vgg s ASP 188 Cb 0.00 -2.54 0.33 0.00 -1.46 0.00 0.00 42.92 39.25 2vgg s ASP 188 CO 0.00 -1.18 1.14 -2.65 0.52 0.00 0.00 175.17 173.00 2vgg n PRO 189 N 7.53 -0.07 -0.19 4.34 -0.02 -1.26 0.44 135.00 145.77 2vgg n PRO 189 Ca 0.15 1.14 0.09 0.00 -2.02 0.00 0.00 63.50 62.86 2vgg n PRO 189 Cb 0.47 -1.70 0.39 0.00 -0.02 0.00 0.00 33.50 32.63 2vgg n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vgg h ALA 190 N 1.44 1.80 -0.00 3.55 0.00 -2.04 -2.23 119.26 121.78 2vgg h ALA 190 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2vgg h ALA 190 Cb 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2vgg h ALA 190 CO -0.75 0.05 -0.06 1.19 0.00 0.00 0.00 179.25 179.68 2vgg n PHE 191 N -4.50 0.00 0.02 0.00 3.01 0.17 -4.21 117.46 111.96 2vgg n PHE 191 Ca 0.12 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.59 2vgg n PHE 191 Cb 0.32 -0.38 0.03 0.00 -0.01 0.00 0.00 39.48 39.44 2vgg n PHE 191 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2vgg n ARG 192 N -1.38 0.01 0.00 -1.08 0.63 -0.84 0.13 116.66 114.12 2vgg n ARG 192 Ca 0.10 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 2vgg n ARG 192 Cb 0.31 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.40 2vgg n ARG 192 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2vgg n THR 193 N -1.32 0.00 -1.49 5.15 5.66 -1.26 -3.17 114.28 117.84 2vgg n THR 193 Ca -0.00 -0.27 -0.36 0.00 -3.05 0.00 0.00 64.05 60.37 2vgg n THR 193 Cb 0.28 1.24 0.07 0.00 -1.55 0.00 0.00 70.33 70.38 2vgg n THR 193 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2vgg n ARG 194 N -0.25 2.69 -2.71 1.09 1.74 0.34 -3.77 116.66 115.78 2vgg n ARG 194 Ca 0.00 -3.32 -0.43 0.00 -0.77 0.00 0.00 57.85 53.34 2vgg n ARG 194 Cb 0.06 -2.27 -0.03 0.00 -1.02 0.00 0.00 32.46 29.20 2vgg n ARG 194 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2vgg s GLY 195 N -1.57 1.89 0.36 -0.13 0.00 -1.25 -4.75 107.32 101.87 2vgg s GLY 195 Ca 0.61 0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.55 2vgg s GLY 195 CO -0.13 2.04 0.16 1.16 0.00 0.00 0.00 173.10 176.33 2vgg n ASN 196 N 5.88 0.83 -0.18 1.64 0.23 0.31 0.04 115.26 124.01 2vgg n ASN 196 Ca 0.10 -3.00 0.17 0.00 -0.53 0.00 0.00 54.58 51.32 2vgg n ASN 196 Cb 0.47 1.07 0.52 0.00 -2.08 0.00 0.00 39.78 39.76 2vgg n ASN 196 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2vgg h ALA 197 N 1.69 2.18 -0.35 -2.53 0.00 -1.96 0.58 119.26 118.87 2vgg h ALA 197 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2vgg h ALA 197 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2vgg h ALA 197 CO 0.43 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 179.37 2vgg n ASN 198 N -4.48 3.24 -3.69 0.00 3.02 -1.26 -4.73 115.26 107.36 2vgg n ASN 198 Ca 0.16 -2.24 -0.13 0.00 -0.03 0.00 0.00 54.58 52.34 2vgg n ASN 198 Cb 0.59 -0.32 -0.13 0.00 -0.61 0.00 0.00 39.78 39.31 2vgg n ASN 198 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2vgg s THR 199 N -1.43 -0.26 0.04 3.41 2.01 0.20 0.13 115.64 119.73 2vgg s THR 199 Ca 0.29 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.55 2vgg s THR 199 Cb 0.18 -0.45 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 2vgg s THR 199 CO 0.15 0.09 -0.13 0.68 -0.69 0.00 0.00 174.62 174.72 2vgg s VAL 200 N 1.92 1.05 0.12 3.82 -7.23 0.50 0.11 120.40 120.69 2vgg s VAL 200 Ca -0.04 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2vgg s VAL 200 Cb -0.11 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 2vgg s VAL 200 CO -0.09 -0.04 -0.08 0.86 -0.31 0.00 0.00 175.10 175.45 2vgg s TRP 201 N -0.90 2.77 0.07 2.82 -0.00 -1.26 -0.68 118.94 121.76 2vgg s TRP 201 Ca 0.00 -0.14 0.03 0.00 -0.00 0.00 0.00 56.10 55.99 2vgg s TRP 201 Cb -0.08 -1.43 -0.03 0.00 -0.00 0.00 0.00 33.47 31.93 2vgg s TRP 201 CO 0.01 0.45 -0.10 0.54 -0.00 0.00 0.00 176.95 177.86 2vgg s VAL 202 N -1.33 0.79 -0.44 5.86 0.11 -0.20 -1.94 120.40 123.26 2vgg s VAL 202 Ca 0.23 -1.40 0.09 0.00 -2.93 0.00 0.00 61.98 57.97 2vgg s VAL 202 Cb -0.11 -1.06 0.58 0.00 -1.53 0.00 0.00 36.38 34.27 2vgg s VAL 202 CO 0.15 -0.47 1.43 -0.90 -3.33 0.00 0.00 175.10 171.99 2vgg n ASP 203 N 0.96 4.33 -3.96 3.54 3.85 -1.02 -4.53 116.55 119.73 2vgg n ASP 203 Ca -0.19 -2.73 -0.30 0.00 -0.71 0.00 0.00 54.79 50.86 2vgg n ASP 203 Cb 0.56 -0.65 -0.13 0.00 -1.35 0.00 0.00 41.12 39.55 2vgg n ASP 203 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2vgg s TYR 204 N -2.29 3.25 0.34 2.11 5.04 -1.26 -4.89 117.35 119.66 2vgg s TYR 204 Ca 0.40 -3.16 0.08 0.00 -2.44 0.00 0.00 57.07 51.95 2vgg s TYR 204 Cb 0.31 -2.84 0.80 0.00 0.35 0.00 0.00 41.96 40.57 2vgg s TYR 204 CO 0.11 -0.73 1.84 -1.35 -1.34 0.00 0.00 175.55 174.09 2vgg h PRO 205 N 6.41 0.69 0.00 4.97 0.11 -1.89 -2.37 132.00 139.92 2vgg h PRO 205 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2vgg h PRO 205 Cb 0.88 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2vgg h PRO 205 CO 0.70 0.46 0.00 -0.91 -0.21 0.00 0.00 178.00 178.04 2vgg h ASN 206 N 0.72 0.00 -0.81 -2.05 2.35 -1.98 -3.27 115.58 110.54 2vgg h ASN 206 Ca 0.48 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 56.43 2vgg h ASN 206 Cb 0.78 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.03 2vgg h ASN 206 CO -0.24 0.00 0.23 -0.29 -1.65 0.00 0.00 177.43 175.48 2vgg h ILE 207 N 0.00 0.45 0.00 2.81 2.10 -1.84 0.59 117.51 121.61 2vgg h ILE 207 Ca 0.00 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.84 2vgg h ILE 207 Cb 0.18 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.06 2vgg h ILE 207 CO 0.00 0.05 0.00 1.33 -1.08 0.00 0.00 178.15 178.45 2vgg n VAL 208 N -5.16 1.01 -0.05 2.19 0.24 -1.23 -0.46 118.33 114.87 2vgg n VAL 208 Ca 0.18 0.27 -0.00 0.00 -2.04 0.00 0.00 64.34 62.74 2vgg n VAL 208 Cb 0.56 -1.07 -0.15 0.00 -1.47 0.00 0.00 33.84 31.70 2vgg n VAL 208 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2vgg n ARG 209 N -1.68 0.78 -0.01 7.34 0.00 0.18 -4.58 116.66 118.69 2vgg n ARG 209 Ca 0.03 -0.09 0.10 0.00 -0.00 0.00 0.00 57.85 57.88 2vgg n ARG 209 Cb 0.17 -1.48 -0.14 0.00 0.00 0.00 0.00 32.46 31.00 2vgg n ARG 209 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2vgg n VAL 210 N -2.47 0.00 -3.48 5.15 0.31 0.05 -4.90 118.33 113.00 2vgg n VAL 210 Ca -0.18 -0.39 -0.42 0.00 -0.01 0.00 0.00 64.34 63.34 2vgg n VAL 210 Cb 0.84 0.20 -0.10 0.00 -0.91 0.00 0.00 33.84 33.87 2vgg n VAL 210 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2vgg s VAL 211 N -3.27 5.26 0.87 2.52 1.01 0.39 -4.80 120.40 122.39 2vgg s VAL 211 Ca -0.05 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 2vgg s VAL 211 Cb 0.13 -3.86 0.20 0.00 0.00 0.00 0.00 36.38 32.85 2vgg s VAL 211 CO 0.81 -0.21 1.19 -2.65 0.00 0.00 0.00 175.10 174.24 2vgg n PRO 212 N 5.16 -1.09 -1.99 2.72 -0.02 -1.26 -4.85 135.00 133.66 2vgg n PRO 212 Ca -0.11 -1.93 -0.41 0.00 -2.02 0.00 0.00 63.50 59.02 2vgg n PRO 212 Cb 0.48 -1.20 -0.02 0.00 -0.02 0.00 0.00 33.50 32.74 2vgg n PRO 212 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2vgg s VAL 213 N -3.58 2.63 -0.63 -1.45 1.01 -1.26 -2.23 120.40 114.89 2vgg s VAL 213 Ca 0.68 0.52 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2vgg s VAL 213 Cb -0.02 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2vgg s VAL 213 CO 0.48 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2vgg n GLY 214 N 2.42 0.80 3.89 4.51 0.00 0.68 -4.97 105.19 112.52 2vgg n GLY 214 Ca 0.08 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2vgg n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vgg s GLY 215 N -2.92 2.22 0.06 -0.02 0.00 -0.95 -4.79 107.32 100.92 2vgg s GLY 215 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 2vgg s GLY 215 CO 0.00 -0.42 0.52 -1.60 0.00 0.00 0.00 173.10 171.61 2vgg s ARG 216 N -1.57 4.10 -0.14 2.90 3.52 -1.26 -0.07 118.95 126.44 2vgg s ARG 216 Ca 0.24 0.63 0.01 0.00 -0.13 0.00 0.00 55.73 56.48 2vgg s ARG 216 Cb -0.13 -3.20 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2vgg s ARG 216 CO 0.13 0.64 -0.16 0.42 -0.81 0.00 0.00 175.30 175.52 2vgg s ILE 217 N -1.14 1.67 -0.03 4.11 1.01 0.74 -4.47 121.20 123.10 2vgg s ILE 217 Ca 0.28 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2vgg s ILE 217 Cb -0.18 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2vgg s ILE 217 CO 0.18 0.48 0.06 -0.31 0.00 0.00 0.00 174.94 175.34 2vgg s TYR 218 N 1.18 3.25 0.01 3.97 1.51 -0.88 0.15 117.35 126.54 2vgg s TYR 218 Ca -0.01 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.30 2vgg s TYR 218 Cb -0.14 -1.75 -0.01 0.00 -0.11 0.00 0.00 41.96 39.94 2vgg s TYR 218 CO -0.06 0.54 -0.13 0.42 -1.11 0.00 0.00 175.55 175.21 2vgg s ILE 219 N -1.10 0.99 -0.38 2.71 1.01 0.52 -1.75 121.20 123.20 2vgg s ILE 219 Ca 0.20 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 2vgg s ILE 219 Cb -0.12 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2vgg s ILE 219 CO 0.10 0.17 0.36 -0.67 0.00 0.00 0.00 174.94 174.90 2vgg n ASP 220 N 2.47 -7.90 -0.20 3.58 2.03 0.62 -1.08 116.55 116.08 2vgg n ASP 220 Ca -0.15 0.86 -0.03 0.00 0.52 0.00 0.00 54.79 55.99 2vgg n ASP 220 Cb 0.55 -5.19 -0.01 0.00 -0.72 0.00 0.00 41.12 35.76 2vgg n ASP 220 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2vgg n ASP 221 N 0.12 -5.31 0.00 1.67 2.03 -1.26 -0.27 116.55 113.53 2vgg n ASP 221 Ca 0.07 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2vgg n ASP 221 Cb 0.29 -3.04 0.00 0.00 -0.72 0.00 0.00 41.12 37.66 2vgg n ASP 221 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vgg n GLY 222 N -0.02 0.69 0.00 0.27 0.00 -1.21 -4.92 105.19 100.00 2vgg n GLY 222 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2vgg n GLY 222 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2vgg n LEU 223 N 0.00 0.00 -4.00 0.99 4.77 0.63 -4.71 117.00 114.68 2vgg n LEU 223 Ca 0.00 0.29 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 2vgg n LEU 223 Cb 0.00 -0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 40.65 2vgg n LEU 223 CO 0.00 -0.02 -0.44 -0.63 -1.33 0.00 0.00 177.39 174.97 2vgg s ILE 224 N -2.57 0.83 -0.04 -0.08 -1.09 -0.24 -4.72 121.20 113.28 2vgg s ILE 224 Ca 0.27 -0.37 0.01 0.00 -2.23 0.00 0.00 60.65 58.33 2vgg s ILE 224 Cb 0.19 -0.75 0.02 0.00 -1.58 0.00 0.00 42.46 40.34 2vgg s ILE 224 CO 0.44 0.26 -0.04 -0.55 -1.23 0.00 0.00 174.94 173.82 2vgg s SER 225 N 0.29 0.88 -0.01 3.58 0.15 0.78 0.19 113.70 119.56 2vgg s SER 225 Ca -0.05 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.53 2vgg s SER 225 Cb -0.10 -0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 2vgg s SER 225 CO 0.01 -0.05 -0.16 -0.76 1.20 0.00 0.00 173.24 173.48 2vgg s LEU 226 N 0.84 2.04 -0.16 3.45 1.43 0.40 0.35 118.68 127.03 2vgg s LEU 226 Ca -0.11 -0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2vgg s LEU 226 Cb -0.14 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.23 2vgg s LEU 226 CO 0.00 0.19 -0.08 -0.69 0.23 0.00 0.00 176.35 176.00 2vgg s VAL 227 N -0.42 3.39 -0.57 -1.59 1.01 -0.77 0.26 120.40 121.72 2vgg s VAL 227 Ca 0.06 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 2vgg s VAL 227 Cb -0.06 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2vgg s VAL 227 CO -0.00 0.49 1.46 -0.69 0.00 0.00 0.00 175.10 176.36 2vgg s VAL 228 N 0.59 3.73 -1.32 2.92 1.01 0.90 -1.42 120.40 126.81 2vgg s VAL 228 Ca -0.05 0.59 0.12 0.00 0.00 0.00 0.00 61.98 62.64 2vgg s VAL 228 Cb -0.15 -4.41 0.21 0.00 0.00 0.00 0.00 36.38 32.03 2vgg s VAL 228 CO 0.03 -1.18 1.07 0.00 0.00 0.00 0.00 175.10 175.02 2vgg n GLN 229 N 8.77 1.69 0.00 2.72 10.64 0.38 0.25 117.38 141.83 2vgg n GLN 229 Ca 0.13 -1.64 0.00 0.00 -1.83 0.00 0.00 57.00 53.66 2vgg n GLN 229 Cb 0.49 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.61 2vgg n GLN 229 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 2vgg n GLU 234 N 0.67 0.00 -3.81 2.61 -0.00 -1.26 -4.90 120.64 113.95 2vgg n GLU 234 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.16 2vgg n GLU 234 Cb 0.37 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 31.75 2vgg n GLU 234 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2vgg s GLY 235 N 0.00 0.08 -0.16 -1.84 0.00 -1.26 -4.68 107.32 99.46 2vgg s GLY 235 Ca 0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 44.72 44.01 2vgg s GLY 235 CO 0.00 -0.57 0.78 1.08 0.00 0.00 0.00 173.10 174.39 2vgg s LEU 236 N -2.88 4.19 -0.31 0.66 1.43 -1.12 -4.97 118.68 115.68 2vgg s LEU 236 Ca 0.09 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.02 2vgg s LEU 236 Cb 0.02 -3.16 0.01 0.00 0.03 0.00 0.00 46.19 43.10 2vgg s LEU 236 CO -0.06 -0.34 1.13 -0.69 0.23 0.00 0.00 176.35 176.62 2vgg s VAL 237 N 1.94 4.42 -0.02 -1.59 1.01 -1.26 -2.68 120.40 122.22 2vgg s VAL 237 Ca 0.37 1.64 0.05 0.00 0.00 0.00 0.00 61.98 64.03 2vgg s VAL 237 Cb -0.17 -4.34 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2vgg s VAL 237 CO 0.13 -0.46 -0.17 0.42 0.00 0.00 0.00 175.10 175.02 2vgg s THR 238 N 3.79 1.36 0.03 3.92 -4.23 -0.14 -0.47 115.64 119.90 2vgg s THR 238 Ca 0.48 -0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 60.10 2vgg s THR 238 Cb -0.14 -1.14 -0.06 0.00 1.34 0.00 0.00 72.50 72.50 2vgg s THR 238 CO 0.17 0.39 0.46 -1.58 -0.54 0.00 0.00 174.62 173.52 2vgg s GLN 239 N -0.31 4.01 -0.58 3.99 0.74 -0.51 0.69 119.66 127.69 2vgg s GLN 239 Ca 0.05 0.52 -0.28 0.00 0.05 0.00 0.00 55.36 55.70 2vgg s GLN 239 Cb -0.08 -3.22 0.02 0.00 1.10 0.00 0.00 33.01 30.83 2vgg s GLN 239 CO -0.00 0.67 1.34 0.08 -0.55 0.00 0.00 175.29 176.83 2vgg s VAL 240 N -1.09 3.85 0.00 1.34 1.01 0.58 -1.84 120.40 124.24 2vgg s VAL 240 Ca 0.26 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2vgg s VAL 240 Cb -0.18 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.64 2vgg s VAL 240 CO 0.15 -1.29 0.45 1.21 0.00 0.00 0.00 175.10 175.63 2vgg n GLU 241 N 8.67 0.00 -3.45 2.72 2.13 0.16 -1.28 120.64 129.58 2vgg n GLU 241 Ca 0.10 0.28 -0.41 0.00 0.66 0.00 0.00 57.16 57.80 2vgg n GLU 241 Cb 0.49 -1.07 -0.10 0.00 0.27 0.00 0.00 31.44 31.03 2vgg n GLU 241 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2vgg s ASN 242 N -2.06 6.13 0.79 4.31 0.01 -0.81 -4.58 114.94 118.73 2vgg s ASN 242 Ca 0.00 -0.31 -0.05 0.00 -0.71 0.00 0.00 52.86 51.80 2vgg s ASN 242 Cb 0.00 -2.17 0.10 0.00 0.41 0.00 0.00 41.25 39.59 2vgg s ASN 242 CO 0.00 -0.30 0.62 0.61 -1.51 0.00 0.00 177.10 176.53 2vgg n GLY 243 N 5.01 -0.33 0.00 0.66 0.00 -1.26 -0.16 105.19 109.11 2vgg n GLY 243 Ca -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2vgg n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vgg n GLY 244 N 0.63 1.02 3.56 -0.02 0.00 0.43 -4.71 105.19 106.10 2vgg n GLY 244 Ca 0.09 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2vgg n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 245 N -1.06 4.29 -0.11 1.61 1.01 -1.26 -0.25 120.40 124.64 2vgg s VAL 245 Ca 0.00 0.74 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 2vgg s VAL 245 Cb 0.00 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2vgg s VAL 245 CO 0.00 -1.06 0.08 -0.22 0.00 0.00 0.00 175.10 173.89 2vgg s LEU 246 N 4.22 4.02 0.00 3.92 2.96 0.74 -4.97 118.68 129.56 2vgg s LEU 246 Ca 0.39 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 2vgg s LEU 246 Cb -0.10 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.64 2vgg s LEU 246 CO 0.25 0.39 0.00 0.61 -1.32 0.00 0.00 176.35 176.28 2vgg n GLY 247 N 2.12 5.97 3.73 7.98 0.00 -1.26 -1.80 105.19 121.93 2vgg n GLY 247 Ca -0.19 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.36 2vgg n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vgg s SER 248 N 0.27 7.40 -0.55 1.61 0.01 -1.26 -4.53 113.70 116.65 2vgg s SER 248 Ca 0.00 1.67 -0.19 0.00 1.31 0.00 0.00 55.95 58.74 2vgg s SER 248 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2vgg s SER 248 CO 0.00 -0.07 0.64 0.54 0.41 0.00 0.00 173.24 174.76 2vgg n ARG 249 N 2.95 -1.94 -4.35 12.44 1.74 0.16 -4.98 116.66 122.69 2vgg n ARG 249 Ca 0.01 1.57 -0.20 0.00 -0.77 0.00 0.00 57.85 58.46 2vgg n ARG 249 Cb 0.50 -3.89 -0.11 0.00 -1.02 0.00 0.00 32.46 27.94 2vgg n ARG 249 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2vgg s LYS 250 N -2.98 1.33 0.38 5.56 1.02 -1.26 -4.75 119.74 119.04 2vgg s LYS 250 Ca 0.22 -1.51 -0.28 0.00 0.02 0.00 0.00 55.97 54.42 2vgg s LYS 250 Cb -0.04 -1.26 -0.10 0.00 -0.52 0.00 0.00 37.83 35.90 2vgg s LYS 250 CO 0.82 0.24 1.42 0.20 -0.92 0.00 0.00 175.35 177.11 2vgg s GLY 251 N -3.02 2.95 -0.04 -3.33 0.00 -1.26 -1.22 107.32 101.41 2vgg s GLY 251 Ca 0.20 1.46 0.05 0.00 0.00 0.00 0.00 44.72 46.43 2vgg s GLY 251 CO 0.07 2.12 -0.20 0.14 0.00 0.00 0.00 173.10 175.24 2vgg s VAL 252 N -1.15 1.62 -0.01 1.40 1.01 -0.46 -0.27 120.40 122.54 2vgg s VAL 252 Ca 0.53 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2vgg s VAL 252 Cb -0.44 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 2vgg s VAL 252 CO 0.59 0.46 -0.11 0.20 0.00 0.00 0.00 175.10 176.24 2vgg s ASN 253 N -0.19 1.34 -0.46 3.32 0.01 -0.72 -4.47 114.94 113.77 2vgg s ASN 253 Ca 0.00 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.98 2vgg s ASN 253 Cb -0.11 -0.17 0.13 0.00 0.41 0.00 0.00 41.25 41.51 2vgg s ASN 253 CO 0.01 0.13 0.23 -0.76 -1.51 0.00 0.00 177.10 175.21 2vgg s LEU 254 N -0.22 3.51 0.67 0.60 1.43 -1.26 -2.07 118.68 121.34 2vgg s LEU 254 Ca 0.04 -2.73 -0.13 0.00 -1.03 0.00 0.00 54.13 50.27 2vgg s LEU 254 Cb -0.05 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2vgg s LEU 254 CO -0.00 -0.26 1.08 -2.84 0.23 0.00 0.00 176.35 174.56 2vgg s PRO 255 N 0.15 2.84 0.00 1.29 0.02 -1.26 -3.07 135.00 134.97 2vgg s PRO 255 Ca 0.17 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.40 2vgg s PRO 255 Cb -0.25 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.31 2vgg s PRO 255 CO -0.01 -1.20 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 2vgg n GLY 256 N -1.07 0.81 3.90 0.52 0.00 -1.25 -4.82 105.19 103.27 2vgg n GLY 256 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2vgg n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vgg s ALA 257 N -0.80 3.74 -0.21 4.61 0.00 -1.17 -5.10 121.76 122.84 2vgg s ALA 257 Ca 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 2vgg s ALA 257 Cb 0.00 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 2vgg s ALA 257 CO 0.00 0.57 0.13 1.14 0.00 0.00 0.00 175.76 177.60 2vgg s GLN 258 N -2.85 4.12 -0.05 0.00 -2.07 -1.26 -4.94 119.66 112.61 2vgg s GLN 258 Ca 0.42 -0.25 -0.04 0.00 -1.82 0.00 0.00 55.36 53.67 2vgg s GLN 258 Cb -0.12 -3.42 -0.04 0.00 -1.09 0.00 0.00 33.01 28.34 2vgg s GLN 258 CO 0.25 0.23 0.16 0.08 -1.32 0.00 0.00 175.29 174.69 2vgg s VAL 259 N 0.55 5.41 -0.07 3.63 1.01 -1.26 -4.98 120.40 124.68 2vgg s VAL 259 Ca 0.07 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2vgg s VAL 259 Cb -0.12 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.87 2vgg s VAL 259 CO -0.00 0.45 1.04 -0.90 0.00 0.00 0.00 175.10 175.68 2vgg n ASP 260 N 1.38 2.12 -4.77 3.32 5.68 -1.26 -5.05 116.55 117.97 2vgg n ASP 260 Ca -0.15 -2.16 -0.40 0.00 -0.50 0.00 0.00 54.79 51.58 2vgg n ASP 260 Cb 0.54 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.43 2vgg n ASP 260 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2vgg s LEU 261 N -1.27 4.33 0.55 -2.12 2.96 -1.26 -4.95 118.68 116.91 2vgg s LEU 261 Ca 0.06 2.78 -0.20 0.00 -0.22 0.00 0.00 54.13 56.55 2vgg s LEU 261 Cb 0.05 -3.74 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 2vgg s LEU 261 CO 0.01 -0.74 1.23 -2.16 -1.32 0.00 0.00 176.35 173.38 2vgg s PRO 262 N -2.03 3.21 0.13 0.98 0.05 -1.26 -4.92 135.00 131.16 2vgg s PRO 262 Ca 0.53 1.91 -0.17 0.00 0.05 0.00 0.00 61.00 63.32 2vgg s PRO 262 Cb -0.41 -2.12 -0.02 0.00 0.05 0.00 0.00 34.50 31.99 2vgg s PRO 262 CO 0.55 -1.04 1.69 0.78 0.05 0.00 0.00 177.00 179.03 2vgg h GLY 263 N 1.31 0.56 -7.61 0.56 0.00 -1.94 -3.38 103.07 92.57 2vgg h GLY 263 Ca -0.50 -0.29 -0.69 0.00 0.00 0.00 0.00 47.33 45.85 2vgg h GLY 263 CO 0.57 0.28 -0.61 1.08 0.00 0.00 0.00 176.54 177.85 2vgg s LEU 264 N -9.85 4.66 0.43 3.11 1.02 -1.26 -4.39 118.68 112.40 2vgg s LEU 264 Ca -0.13 -1.66 -0.06 0.00 0.02 0.00 0.00 54.13 52.30 2vgg s LEU 264 Cb 0.10 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.47 2vgg s LEU 264 CO 0.74 -0.42 0.73 -0.94 0.02 0.00 0.00 176.35 176.48 2vgg s SER 265 N 1.56 6.34 0.23 2.29 1.04 -1.26 -4.94 113.70 118.96 2vgg s SER 265 Ca 0.02 0.89 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 2vgg s SER 265 Cb -0.21 -2.23 0.37 0.00 0.10 0.00 0.00 66.02 64.05 2vgg s SER 265 CO -0.02 -0.47 1.63 -0.33 0.98 0.00 0.00 173.24 175.03 2vgg h GLU 266 N 0.66 0.07 -0.38 4.02 5.08 -1.99 0.91 114.58 122.96 2vgg h GLU 266 Ca -0.47 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.96 2vgg h GLU 266 Cb 1.20 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.36 2vgg h GLU 266 CO 0.63 0.05 -0.11 0.37 -1.00 0.00 0.00 179.01 178.94 2vgg h GLN 267 N 0.08 -0.03 -0.88 2.33 5.75 -1.99 -0.06 115.11 120.31 2vgg h GLN 267 Ca 0.38 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 59.03 2vgg h GLN 267 Cb 0.63 0.01 -0.10 0.00 1.07 0.00 0.00 27.48 29.09 2vgg h GLN 267 CO -0.66 -0.02 0.47 -0.44 -2.65 0.00 0.00 178.83 175.53 2vgg h ASP 268 N -0.03 0.57 -0.26 -0.69 3.32 -1.20 0.24 116.42 118.37 2vgg h ASP 268 Ca 0.18 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 2vgg h ASP 268 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2vgg h ASP 268 CO -0.40 0.23 0.04 0.58 -1.72 0.00 0.00 179.24 177.96 2vgg h VAL 269 N 0.65 1.23 -0.38 -1.35 2.07 -0.56 0.24 116.25 118.15 2vgg h VAL 269 Ca 0.48 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 67.26 2vgg h VAL 269 Cb 0.70 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 2vgg h VAL 269 CO -0.37 0.25 0.10 0.03 0.02 0.00 0.00 177.57 177.61 2vgg h ARG 270 N 0.24 0.23 -0.51 1.57 3.08 -0.49 0.19 114.38 118.70 2vgg h ARG 270 Ca 0.08 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.18 2vgg h ARG 270 Cb 0.34 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 2vgg h ARG 270 CO 0.01 0.15 0.21 -0.44 -1.07 0.00 0.00 179.97 178.83 2vgg h ASP 271 N 0.24 0.25 -0.20 7.04 5.19 0.12 0.20 116.42 129.26 2vgg h ASP 271 Ca 0.18 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.62 2vgg h ASP 271 Cb 0.19 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.71 2vgg h ASP 271 CO -0.21 0.17 0.06 -0.07 -3.12 0.00 0.00 179.24 176.06 2vgg h LEU 272 N 0.41 0.29 -0.45 1.55 3.38 0.22 -0.27 115.31 120.44 2vgg h LEU 272 Ca 0.24 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2vgg h LEU 272 Cb 0.23 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 2vgg h LEU 272 CO -0.22 0.43 0.10 0.03 0.09 0.00 0.00 178.44 178.87 2vgg h ARG 273 N 0.14 0.23 -0.59 1.13 2.47 -0.01 0.15 114.38 117.89 2vgg h ARG 273 Ca 0.06 -0.01 0.11 0.00 -1.26 0.00 0.00 59.98 58.88 2vgg h ARG 273 Cb 0.25 -0.05 -0.11 0.00 -1.65 0.00 0.00 29.97 28.40 2vgg h ARG 273 CO -0.00 0.15 -0.30 0.35 0.56 0.00 0.00 179.97 180.73 2vgg h PHE 274 N 0.24 -0.81 -0.56 3.04 3.57 -0.20 0.12 116.94 122.34 2vgg h PHE 274 Ca 0.22 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.89 2vgg h PHE 274 Cb 0.27 0.44 -0.11 0.00 2.79 0.00 0.00 35.95 39.35 2vgg h PHE 274 CO -0.21 -0.36 -0.30 0.78 -2.23 0.00 0.00 178.31 175.99 2vgg h GLY 275 N -0.14 -0.04 0.86 2.40 0.00 0.11 0.36 103.07 106.62 2vgg h GLY 275 Ca 0.25 0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 2vgg h GLY 275 CO -0.67 -0.21 -0.04 -2.08 0.00 0.00 0.00 176.54 173.54 2vgg h VAL 276 N -0.15 1.01 -0.87 4.60 2.07 -0.09 0.13 116.25 122.94 2vgg h VAL 276 Ca 0.23 -0.32 0.22 0.00 0.82 0.00 0.00 66.70 67.66 2vgg h VAL 276 Cb 0.53 1.22 -0.15 0.00 -1.52 0.00 0.00 31.29 31.37 2vgg h VAL 276 CO -0.64 0.08 0.05 -0.33 0.02 0.00 0.00 177.57 176.75 2vgg h GLU 277 N -0.25 0.09 -0.17 1.57 5.08 -0.02 0.98 114.58 121.85 2vgg h GLU 277 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2vgg h GLU 277 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2vgg h GLU 277 CO 0.02 0.06 0.00 0.72 -1.00 0.00 0.00 179.01 178.80 2vgg n HIS 278 N -5.38 0.21 -3.10 4.33 8.25 0.04 -4.97 115.22 114.60 2vgg n HIS 278 Ca 0.19 -0.11 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 2vgg n HIS 278 Cb 0.62 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.78 2vgg n HIS 278 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vgg n GLY 279 N 1.24 0.09 3.72 -1.41 0.00 0.37 -5.00 105.19 104.20 2vgg n GLY 279 Ca 0.17 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2vgg n GLY 279 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vgg s VAL 280 N -3.16 2.57 -0.33 1.61 -7.23 -0.71 -4.94 120.40 108.22 2vgg s VAL 280 Ca 0.33 0.22 0.18 0.00 -1.81 0.00 0.00 61.98 60.90 2vgg s VAL 280 Cb -0.14 -2.58 -0.24 0.00 0.56 0.00 0.00 36.38 33.98 2vgg s VAL 280 CO 0.40 -0.21 0.52 0.47 -0.31 0.00 0.00 175.10 175.98 2vgg n ASP 281 N -3.40 0.88 -3.70 4.85 9.92 -0.26 -4.86 116.55 119.98 2vgg n ASP 281 Ca 0.11 -0.35 -0.12 0.00 -0.53 0.00 0.00 54.79 53.91 2vgg n ASP 281 Cb 0.52 1.50 -0.10 0.00 -0.64 0.00 0.00 41.12 42.40 2vgg n ASP 281 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2vgg s ILE 282 N -3.01 -0.01 -0.40 0.53 1.01 -1.17 -2.52 121.20 115.63 2vgg s ILE 282 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 2vgg s ILE 282 Cb 0.12 -0.66 0.06 0.00 0.01 0.00 0.00 42.46 41.99 2vgg s ILE 282 CO 0.73 0.02 0.24 -0.69 0.00 0.00 0.00 174.94 175.24 2vgg s VAL 283 N 0.83 4.36 -0.50 2.92 1.01 0.32 -0.37 120.40 128.97 2vgg s VAL 283 Ca -0.05 -1.20 -0.28 0.00 0.00 0.00 0.00 61.98 60.45 2vgg s VAL 283 Cb -0.05 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2vgg s VAL 283 CO -0.07 -0.41 1.47 -0.36 0.00 0.00 0.00 175.10 175.73 2vgg s PHE 284 N 1.47 2.26 -0.38 5.22 0.08 -0.09 -1.66 117.98 124.88 2vgg s PHE 284 Ca 0.02 0.57 -0.22 0.00 0.12 0.00 0.00 56.93 57.43 2vgg s PHE 284 Cb -0.22 -4.33 0.01 0.00 -0.57 0.00 0.00 43.02 37.91 2vgg s PHE 284 CO 0.04 -2.06 0.72 0.00 -0.10 0.00 0.00 175.22 173.82 2vgg s ALA 285 N 6.08 3.41 1.05 5.36 0.00 -0.56 -2.05 121.76 135.04 2vgg s ALA 285 Ca 0.58 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 2vgg s ALA 285 Cb -0.13 -3.31 0.22 0.00 0.00 0.00 0.00 23.12 19.90 2vgg s ALA 285 CO 0.28 -1.54 1.07 -1.12 0.00 0.00 0.00 175.76 174.46 2vgg s SER 286 N 1.89 1.95 -0.71 0.00 0.01 -1.26 -1.88 113.70 113.70 2vgg s SER 286 Ca 0.28 1.71 -0.09 0.00 1.31 0.00 0.00 55.95 59.16 2vgg s SER 286 Cb -0.13 -2.36 0.09 0.00 0.21 0.00 0.00 66.02 63.83 2vgg s SER 286 CO 0.17 -3.63 0.23 0.49 0.41 0.00 0.00 173.24 170.91 2vgg n PHE 287 N -4.55 -1.09 -1.73 2.43 3.01 -1.26 -4.79 117.46 109.48 2vgg n PHE 287 Ca 0.06 0.26 -0.43 0.00 1.01 0.00 0.00 57.45 58.36 2vgg n PHE 287 Cb 0.54 -1.03 -0.03 0.00 -0.01 0.00 0.00 39.48 38.95 2vgg n PHE 287 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2vgg s VAL 288 N -2.04 3.15 -0.64 -4.37 1.01 -1.02 -4.87 120.40 111.63 2vgg s VAL 288 Ca 0.32 0.16 0.14 0.00 0.00 0.00 0.00 61.98 62.60 2vgg s VAL 288 Cb -0.18 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 32.87 2vgg s VAL 288 CO 0.39 -0.09 0.59 0.54 0.00 0.00 0.00 175.10 176.53 2vgg n ARG 289 N 8.30 2.19 -3.60 2.72 1.74 -1.26 -4.45 116.66 122.31 2vgg n ARG 289 Ca 0.25 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 57.24 2vgg n ARG 289 Cb 0.44 -1.18 -0.05 0.00 -1.02 0.00 0.00 32.46 30.65 2vgg n ARG 289 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2vgg s LYS 290 N -2.38 0.47 0.21 5.56 -2.85 -1.26 -4.33 119.74 115.16 2vgg s LYS 290 Ca 0.05 0.14 -0.04 0.00 -1.00 0.00 0.00 55.97 55.12 2vgg s LYS 290 Cb 0.11 0.22 0.40 0.00 -2.06 0.00 0.00 37.83 36.50 2vgg s LYS 290 CO 0.59 -0.14 1.16 0.00 0.10 0.00 0.00 175.35 177.06 2vgg n ALA 291 N 0.78 0.23 0.27 0.59 0.00 -1.26 0.93 120.51 122.04 2vgg n ALA 291 Ca -0.08 0.81 0.11 0.00 0.00 0.00 0.00 53.44 54.28 2vgg n ALA 291 Cb 0.58 -0.51 0.73 0.00 0.00 0.00 0.00 19.45 20.25 2vgg n ALA 291 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2vgg h SER 292 N 0.00 0.00 -0.60 0.00 4.64 -1.98 -1.74 113.55 113.87 2vgg h SER 292 Ca 0.38 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2vgg h SER 292 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 2vgg h SER 292 CO -0.75 0.04 0.36 0.44 -0.87 0.00 0.00 176.83 176.04 2vgg h ASP 293 N 0.00 0.72 0.77 4.97 3.32 0.15 -2.23 116.42 124.12 2vgg h ASP 293 Ca -0.00 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 2vgg h ASP 293 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2vgg h ASP 293 CO 0.00 0.58 -0.52 1.62 -1.72 0.00 0.00 179.24 179.20 2vgg h VAL 294 N 0.81 1.19 -0.07 -1.35 3.04 -1.40 -2.99 116.25 115.48 2vgg h VAL 294 Ca 0.21 -1.92 0.04 0.00 -1.01 0.00 0.00 66.70 64.02 2vgg h VAL 294 Cb -0.01 2.09 -0.06 0.00 -2.01 0.00 0.00 31.29 31.31 2vgg h VAL 294 CO -0.04 0.51 -0.35 0.00 -1.01 0.00 0.00 177.57 176.69 2vgg h ALA 295 N 1.48 -0.48 0.08 3.17 0.00 -1.06 -1.67 119.26 120.77 2vgg h ALA 295 Ca -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2vgg h ALA 295 Cb 1.05 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 2vgg h ALA 295 CO 0.07 -0.85 -0.47 0.00 0.00 0.00 0.00 179.25 178.00 2vgg h ALA 296 N 0.26 -0.94 -0.93 0.00 0.00 -1.28 0.24 119.26 116.60 2vgg h ALA 296 Ca 0.07 -0.09 0.37 0.00 0.00 0.00 0.00 54.91 55.26 2vgg h ALA 296 Cb 0.58 0.86 -0.17 0.00 0.00 0.00 0.00 17.79 19.06 2vgg h ALA 296 CO -0.33 -1.06 0.41 0.28 0.00 0.00 0.00 179.25 178.56 2vgg n VAL 297 N -5.10 -0.39 -0.08 0.00 0.31 -1.14 0.47 118.33 112.40 2vgg n VAL 297 Ca -0.07 1.93 -0.12 0.00 -0.01 0.00 0.00 64.34 66.06 2vgg n VAL 297 Cb 0.36 -3.07 -0.05 0.00 -0.91 0.00 0.00 33.84 30.17 2vgg n VAL 297 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2vgg h ARG 298 N 0.00 0.51 0.35 5.55 2.43 0.34 0.11 114.38 123.67 2vgg h ARG 298 Ca 0.75 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.67 2vgg h ARG 298 Cb 1.92 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 2vgg h ARG 298 CO -0.75 0.79 -0.17 0.00 -1.51 0.00 0.00 179.97 178.34 2vgg h ALA 299 N 0.70 -0.47 -0.67 2.80 0.00 0.23 -2.01 119.26 119.84 2vgg h ALA 299 Ca 0.05 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2vgg h ALA 299 Cb 0.66 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2vgg h ALA 299 CO 0.04 -0.73 0.31 0.00 0.00 0.00 0.00 179.25 178.87 2vgg h ALA 300 N 0.10 0.90 -0.16 0.00 0.00 -0.22 0.32 119.26 120.20 2vgg h ALA 300 Ca -0.05 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2vgg h ALA 300 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2vgg h ALA 300 CO 0.08 -0.09 0.21 1.25 0.00 0.00 0.00 179.25 180.70 2vgg h LEU 301 N 0.54 0.00 -0.31 0.00 5.85 -0.11 -3.42 115.31 117.87 2vgg h LEU 301 Ca 0.33 0.00 0.31 0.00 0.84 0.00 0.00 57.88 59.36 2vgg h LEU 301 Cb 0.35 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 2vgg h LEU 301 CO -0.27 0.00 -0.62 0.61 -0.34 0.00 0.00 178.44 177.82 2vgg n GLY 302 N -1.35 -2.24 0.25 3.75 0.00 0.11 -3.68 105.19 102.03 2vgg n GLY 302 Ca 0.01 -1.19 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 2vgg n GLY 302 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2vgg h PRO 303 N -1.12 0.75 0.00 1.61 0.11 -1.88 0.58 132.00 132.05 2vgg h PRO 303 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2vgg h PRO 303 Cb 1.10 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2vgg h PRO 303 CO 0.03 0.49 0.06 0.39 -0.21 0.00 0.00 178.00 178.76 2vgg n GLU 304 N -4.72 0.00 -1.32 1.05 -0.58 -1.26 -3.04 120.64 110.77 2vgg n GLU 304 Ca 0.06 0.37 -0.00 0.00 -0.42 0.00 0.00 57.16 57.17 2vgg n GLU 304 Cb 0.09 -1.56 0.11 0.00 -0.57 0.00 0.00 31.44 29.51 2vgg n GLU 304 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vgg n GLY 305 N -1.36 3.91 0.24 0.62 0.00 0.20 -4.76 105.19 104.04 2vgg n GLY 305 Ca 0.00 -1.40 0.04 0.00 0.00 0.00 0.00 46.02 44.67 2vgg n GLY 305 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2vgg h HIS 306 N 1.37 0.12 0.00 1.61 3.86 -1.66 -2.91 115.15 117.54 2vgg h HIS 306 Ca -0.01 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2vgg h HIS 306 Cb 1.36 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2vgg h HIS 306 CO 0.59 0.24 0.00 0.78 0.86 0.00 0.00 177.93 180.40 2vgg h GLY 307 N 0.56 0.00 -4.64 2.45 0.00 -1.89 -3.45 103.07 96.10 2vgg h GLY 307 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.82 2vgg h GLY 307 CO 0.02 0.00 0.78 -0.42 0.00 0.00 0.00 176.54 176.92 2vgg s ILE 308 N -3.67 3.26 -0.03 2.60 1.01 -1.10 -4.98 121.20 118.29 2vgg s ILE 308 Ca 0.01 0.86 -0.23 0.00 0.00 0.00 0.00 60.65 61.29 2vgg s ILE 308 Cb 0.09 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2vgg s ILE 308 CO 0.50 0.05 0.70 -0.54 0.00 0.00 0.00 174.94 175.65 2vgg s LYS 309 N 1.45 4.43 -0.34 2.79 -0.14 -1.05 -4.90 119.74 121.99 2vgg s LYS 309 Ca 0.66 0.90 -0.08 0.00 -1.36 0.00 0.00 55.97 56.09 2vgg s LYS 309 Cb -0.37 -3.41 0.03 0.00 -1.68 0.00 0.00 37.83 32.39 2vgg s LYS 309 CO 0.30 0.15 0.14 0.42 -0.76 0.00 0.00 175.35 175.60 2vgg s ILE 310 N 0.47 4.11 -0.38 2.17 1.01 -1.26 -0.52 121.20 126.81 2vgg s ILE 310 Ca 0.37 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.96 2vgg s ILE 310 Cb -0.18 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.03 2vgg s ILE 310 CO 0.19 -0.14 0.25 -0.63 0.00 0.00 0.00 174.94 174.62 2vgg s ILE 311 N 1.48 5.09 0.06 2.92 -1.09 -0.67 -2.12 121.20 126.87 2vgg s ILE 311 Ca 0.01 -0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 57.57 2vgg s ILE 311 Cb -0.19 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 2vgg s ILE 311 CO 0.04 -0.18 1.02 -0.44 -1.23 0.00 0.00 174.94 174.15 2vgg s SER 312 N 1.66 7.35 -0.14 3.58 0.01 -0.80 -1.50 113.70 123.87 2vgg s SER 312 Ca 0.05 1.80 -0.17 0.00 1.31 0.00 0.00 55.95 58.94 2vgg s SER 312 Cb -0.18 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.42 2vgg s SER 312 CO 0.09 -0.23 0.45 -0.54 0.41 0.00 0.00 173.24 173.42 2vgg s LYS 313 N 0.57 4.31 -0.24 12.44 1.02 -0.79 -1.09 119.74 135.97 2vgg s LYS 313 Ca 0.51 0.38 -0.06 0.00 0.02 0.00 0.00 55.97 56.83 2vgg s LYS 313 Cb -0.24 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2vgg s LYS 313 CO 0.29 0.13 0.02 0.42 -0.92 0.00 0.00 175.35 175.29 2vgg s ILE 314 N 0.72 3.83 0.00 2.17 -1.09 -0.60 -2.43 121.20 123.80 2vgg s ILE 314 Ca 0.24 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 2vgg s ILE 314 Cb -0.15 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 2vgg s ILE 314 CO 0.09 0.36 0.19 -0.62 -1.23 0.00 0.00 174.94 173.73 2vgg n GLU 315 N 4.86 0.02 -3.84 2.79 1.02 -1.26 -2.10 120.64 122.12 2vgg n GLU 315 Ca -0.17 -0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 56.69 2vgg n GLU 315 Cb 0.51 -0.52 -0.01 0.00 -0.02 0.00 0.00 31.44 31.40 2vgg n GLU 315 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2vgg s ASN 316 N -0.02 -0.16 0.15 1.62 2.20 -1.26 -2.36 114.94 115.11 2vgg s ASN 316 Ca 0.00 -0.80 -0.25 0.00 -0.94 0.00 0.00 52.86 50.87 2vgg s ASN 316 Cb 0.00 0.77 0.02 0.00 -2.00 0.00 0.00 41.25 40.04 2vgg s ASN 316 CO 0.00 -1.47 1.60 -0.74 -2.94 0.00 0.00 177.10 173.55 2vgg h HIS 317 N 2.00 -0.94 -0.34 1.54 -0.00 -1.93 -0.02 115.15 115.46 2vgg h HIS 317 Ca -0.24 0.05 0.07 0.00 -0.00 0.00 0.00 60.37 60.25 2vgg h HIS 317 Cb 1.25 0.46 -0.06 0.00 -0.00 0.00 0.00 27.41 29.06 2vgg h HIS 317 CO 0.76 -0.40 -0.05 1.49 -0.00 0.00 0.00 177.93 179.73 2vgg h GLU 318 N -0.32 0.04 -0.87 5.26 4.81 -1.97 0.22 114.58 121.75 2vgg h GLU 318 Ca 0.14 -0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.54 2vgg h GLU 318 Cb 0.55 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.82 2vgg h GLU 318 CO -0.47 0.02 0.44 0.78 -0.73 0.00 0.00 179.01 179.05 2vgg h GLY 319 N 0.04 1.44 0.76 1.92 0.00 -1.26 0.95 103.07 106.91 2vgg h GLY 319 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2vgg h GLY 319 CO -0.32 -0.10 -0.00 -2.08 0.00 0.00 0.00 176.54 174.04 2vgg h VAL 320 N 0.57 1.25 0.00 4.60 2.07 0.66 -1.76 116.25 123.64 2vgg h VAL 320 Ca 0.49 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2vgg h VAL 320 Cb 0.77 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2vgg h VAL 320 CO -0.41 0.23 -0.08 0.11 0.02 0.00 0.00 177.57 177.45 2vgg h LYS 321 N -0.08 0.00 -0.42 1.57 1.79 0.44 -2.56 116.57 117.31 2vgg h LYS 321 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2vgg h LYS 321 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2vgg h LYS 321 CO 0.01 0.08 0.00 0.54 -1.08 0.00 0.00 179.45 179.00 2vgg n ARG 322 N -4.08 3.16 -0.36 3.15 1.74 0.22 -4.65 116.66 115.84 2vgg n ARG 322 Ca -0.03 -2.55 -0.08 0.00 -0.77 0.00 0.00 57.85 54.42 2vgg n ARG 322 Cb 0.17 -1.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 2vgg n ARG 322 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2vgg h PHE 323 N 2.65 -1.53 -0.85 -1.55 3.57 -0.88 0.19 116.94 118.54 2vgg h PHE 323 Ca 0.00 0.11 0.15 0.00 3.53 0.00 0.00 57.97 61.76 2vgg h PHE 323 Cb 1.17 0.79 -0.06 0.00 2.79 0.00 0.00 35.95 40.63 2vgg h PHE 323 CO 0.48 -0.40 0.56 -0.44 -2.23 0.00 0.00 178.31 176.28 2vgg h ASP 324 N -0.06 0.57 -0.04 0.41 3.32 -1.84 0.61 116.42 119.39 2vgg h ASP 324 Ca 0.22 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 2vgg h ASP 324 Cb 0.51 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2vgg h ASP 324 CO -0.89 0.29 -0.25 1.05 -1.72 0.00 0.00 179.24 177.71 2vgg h GLU 325 N 0.60 0.24 -0.37 3.56 4.11 -1.08 -3.02 114.58 118.61 2vgg h GLU 325 Ca 0.43 -0.20 0.05 0.00 0.07 0.00 0.00 59.36 59.70 2vgg h GLU 325 Cb 0.78 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2vgg h GLU 325 CO -0.18 0.87 0.10 0.82 0.07 0.00 0.00 179.01 180.69 2vgg h ILE 326 N -0.33 0.85 -0.76 -1.06 2.04 0.12 -1.85 117.51 116.51 2vgg h ILE 326 Ca -0.02 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.86 2vgg h ILE 326 Cb 0.93 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2vgg h ILE 326 CO 0.05 0.04 0.40 0.25 0.00 0.00 0.00 178.15 178.90 2vgg h LEU 327 N 0.24 0.54 -0.66 1.44 6.46 0.07 -2.15 115.31 121.25 2vgg h LEU 327 Ca 0.18 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 2vgg h LEU 327 Cb 0.18 -0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 2vgg h LEU 327 CO -0.21 0.30 0.38 -0.08 -0.62 0.00 0.00 178.44 178.21 2vgg h GLU 328 N 0.67 0.69 0.00 1.25 4.81 -1.20 -2.14 114.58 118.66 2vgg h GLU 328 Ca 0.38 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2vgg h GLU 328 Cb 0.40 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2vgg h GLU 328 CO -0.27 0.46 -0.17 0.28 -0.73 0.00 0.00 179.01 178.58 2vgg n VAL 329 N -4.76 0.08 -3.86 0.32 0.31 -0.94 -4.94 118.33 104.54 2vgg n VAL 329 Ca 0.08 -0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 2vgg n VAL 329 Cb 0.14 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.75 2vgg n VAL 329 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2vgg s SER 330 N -3.21 5.59 0.00 4.52 0.01 -0.81 -5.00 113.70 114.81 2vgg s SER 330 Ca 0.12 -0.31 0.28 0.00 1.31 0.00 0.00 55.95 57.35 2vgg s SER 330 Cb 0.18 -1.24 0.97 0.00 0.21 0.00 0.00 66.02 66.14 2vgg s SER 330 CO 0.59 -0.24 1.73 0.47 0.41 0.00 0.00 173.24 176.20 2vgg n ASP 331 N -1.37 0.30 0.00 2.44 8.00 -0.90 -4.95 116.55 120.07 2vgg n ASP 331 Ca -0.04 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2vgg n ASP 331 Cb 0.59 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2vgg n ASP 331 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vgg n GLY 332 N 1.45 -1.48 3.06 0.44 0.00 -1.25 -3.83 105.19 103.58 2vgg n GLY 332 Ca 0.08 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2vgg n GLY 332 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2vgg s ILE 333 N -2.69 0.16 -0.08 -0.61 -1.09 -0.02 -1.90 121.20 114.97 2vgg s ILE 333 Ca 0.00 -1.36 0.03 0.00 -2.23 0.00 0.00 60.65 57.09 2vgg s ILE 333 Cb 0.00 -0.98 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 2vgg s ILE 333 CO 0.00 -0.75 -0.18 -0.32 -1.23 0.00 0.00 174.94 172.46 2vgg s MET 334 N -2.86 2.41 -0.87 2.79 -2.45 -0.25 -0.47 119.30 117.60 2vgg s MET 334 Ca -0.03 -0.66 -0.21 0.00 -1.25 0.00 0.00 55.69 53.55 2vgg s MET 334 Cb 0.00 -1.88 0.10 0.00 1.25 0.00 0.00 34.83 34.31 2vgg s MET 334 CO -0.06 0.11 1.14 0.08 1.05 0.00 0.00 175.02 177.34 2vgg s VAL 335 N 0.49 4.48 -1.18 10.11 1.01 0.19 -1.56 120.40 133.94 2vgg s VAL 335 Ca -0.17 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 2vgg s VAL 335 Cb -0.17 -4.80 -0.03 0.00 0.00 0.00 0.00 36.38 31.37 2vgg s VAL 335 CO 0.07 -1.57 1.86 0.00 0.00 0.00 0.00 175.10 175.45 2vgg s ALA 336 N 3.45 2.25 0.23 5.51 0.00 -0.89 -3.21 121.76 129.09 2vgg s ALA 336 Ca 0.32 -2.30 0.34 0.00 0.00 0.00 0.00 51.96 50.32 2vgg s ALA 336 Cb -0.07 -4.65 1.49 0.00 0.00 0.00 0.00 23.12 19.89 2vgg s ALA 336 CO -0.04 -4.58 2.04 0.00 0.00 0.00 0.00 175.76 173.17 2vgg h ARG 337 N 9.31 0.00 0.00 0.00 3.08 -1.82 -2.16 114.38 122.79 2vgg h ARG 337 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2vgg h ARG 337 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2vgg h ARG 337 CO 1.30 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 180.65 2vgg n GLY 338 N -0.20 -2.91 0.29 0.04 0.00 -1.26 -0.69 105.19 100.45 2vgg n GLY 338 Ca -0.00 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2vgg n GLY 338 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vgg h ASP 339 N 0.00 -0.70 -1.03 1.61 3.32 -1.85 -0.80 116.42 116.97 2vgg h ASP 339 Ca 0.00 0.08 0.38 0.00 0.02 0.00 0.00 57.03 57.51 2vgg h ASP 339 Cb 0.00 0.26 -0.16 0.00 0.22 0.00 0.00 39.33 39.65 2vgg h ASP 339 CO 0.00 -0.35 0.58 0.25 -1.72 0.00 0.00 179.24 178.00 2vgg h LEU 340 N -0.48 0.39 0.00 1.55 5.85 -1.00 0.50 115.31 122.12 2vgg h LEU 340 Ca 0.02 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2vgg h LEU 340 Cb 0.49 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2vgg h LEU 340 CO -0.12 -0.30 0.00 0.61 -0.34 0.00 0.00 178.44 178.28 2vgg n GLY 341 N -1.29 -0.90 0.02 3.75 0.00 0.13 -1.94 105.19 104.96 2vgg n GLY 341 Ca 0.36 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 2vgg n GLY 341 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2vgg n ILE 342 N -0.86 0.19 -0.11 -0.61 5.41 0.16 -4.16 119.36 119.38 2vgg n ILE 342 Ca 0.16 -0.09 -0.07 0.00 1.00 0.00 0.00 62.75 63.75 2vgg n ILE 342 Cb 0.07 -0.75 0.10 0.00 -0.71 0.00 0.00 39.64 38.35 2vgg n ILE 342 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2vgg h GLU 343 N 0.00 0.82 -6.14 0.38 4.39 -1.11 -3.41 114.58 109.51 2vgg h GLU 343 Ca -0.07 -0.29 -0.55 0.00 0.34 0.00 0.00 59.36 58.78 2vgg h GLU 343 Cb 1.14 -0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 2vgg h GLU 343 CO -0.01 0.91 -0.60 0.96 -1.16 0.00 0.00 179.01 179.11 2vgg s ILE 344 N -4.77 3.24 0.50 3.13 -4.36 -0.82 -3.94 121.20 114.17 2vgg s ILE 344 Ca -0.10 -1.82 -0.23 0.00 -0.26 0.00 0.00 60.65 58.25 2vgg s ILE 344 Cb 0.14 -2.91 -0.07 0.00 1.25 0.00 0.00 42.46 40.86 2vgg s ILE 344 CO 0.83 -0.28 1.19 -2.65 0.24 0.00 0.00 174.94 174.27 2vgg n PRO 345 N -1.01 1.55 -0.26 0.37 -0.02 -1.26 -4.62 135.00 129.74 2vgg n PRO 345 Ca -0.05 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 62.02 2vgg n PRO 345 Cb 0.60 -2.35 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 2vgg n PRO 345 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vgg h ALA 346 N 1.45 1.05 0.00 3.55 0.00 -1.92 -2.16 119.26 121.22 2vgg h ALA 346 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2vgg h ALA 346 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2vgg h ALA 346 CO 0.57 -0.04 0.28 0.93 0.00 0.00 0.00 179.25 180.99 2vgg h GLU 347 N 0.62 0.00 0.00 0.00 3.07 -1.94 -2.97 114.58 113.36 2vgg h GLU 347 Ca 0.37 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 2vgg h GLU 347 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 2vgg h GLU 347 CO -0.29 0.00 -1.76 1.63 -1.40 0.00 0.00 179.01 177.19 2vgg n LYS 348 N -2.28 0.56 -0.21 2.33 5.02 -0.81 -4.50 118.16 118.27 2vgg n LYS 348 Ca -0.01 -0.14 -0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2vgg n LYS 348 Cb 0.31 -1.39 0.08 0.00 -0.02 0.00 0.00 35.03 34.01 2vgg n LYS 348 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2vgg h VAL 349 N 0.00 0.41 -0.71 -0.18 2.07 -1.59 -1.29 116.25 114.96 2vgg h VAL 349 Ca -0.03 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.64 2vgg h VAL 349 Cb 0.82 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.84 2vgg h VAL 349 CO 0.00 0.01 -0.04 2.19 0.02 0.00 0.00 177.57 179.75 2vgg h PHE 350 N 0.03 -0.12 -0.14 1.57 -0.00 -1.80 0.63 116.94 117.11 2vgg h PHE 350 Ca 0.31 0.05 0.04 0.00 -0.00 0.00 0.00 57.97 58.38 2vgg h PHE 350 Cb 0.49 0.16 -0.05 0.00 -0.00 0.00 0.00 35.95 36.55 2vgg h PHE 350 CO -0.46 -0.24 -0.17 -0.07 -0.00 0.00 0.00 178.31 177.37 2vgg h LEU 351 N 0.08 -0.52 -0.79 2.10 3.38 -1.55 0.34 115.31 118.34 2vgg h LEU 351 Ca 0.37 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.53 2vgg h LEU 351 Cb 0.63 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 2vgg h LEU 351 CO -0.65 -0.22 0.44 0.00 0.09 0.00 0.00 178.44 178.11 2vgg h ALA 352 N 0.84 1.12 -0.20 1.53 0.00 0.75 -0.75 119.26 122.55 2vgg h ALA 352 Ca 0.10 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2vgg h ALA 352 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2vgg h ALA 352 CO -0.26 0.07 -0.32 0.37 0.00 0.00 0.00 179.25 179.11 2vgg h GLN 353 N 0.75 0.58 0.00 0.00 4.15 0.94 -1.64 115.11 119.89 2vgg h GLN 353 Ca 0.38 -0.35 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 2vgg h GLN 353 Cb 0.36 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 2vgg h GLN 353 CO -0.25 0.96 -0.40 0.87 -1.93 0.00 0.00 178.83 178.08 2vgg h LYS 354 N 0.25 0.00 0.22 1.69 1.57 0.03 -2.14 116.57 118.19 2vgg h LYS 354 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2vgg h LYS 354 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2vgg h LYS 354 CO 0.07 0.40 -0.10 1.98 -0.57 0.00 0.00 179.45 181.23 2vgg h MET 355 N 0.00 -0.28 -0.49 3.15 4.05 -0.99 -2.60 114.93 117.76 2vgg h MET 355 Ca -0.00 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2vgg h MET 355 Cb 0.87 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 2vgg h MET 355 CO 0.05 0.10 0.27 0.52 0.23 0.00 0.00 176.91 178.09 2vgg h MET 356 N -0.85 0.69 -0.95 0.39 2.86 -1.18 -0.24 114.93 115.64 2vgg h MET 356 Ca -0.03 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2vgg h MET 356 Cb 0.51 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 2vgg h MET 356 CO 0.05 0.53 0.61 0.82 1.06 0.00 0.00 176.91 179.98 2vgg h ILE 357 N 0.66 1.09 0.62 -1.22 2.04 -1.49 0.53 117.51 119.73 2vgg h ILE 357 Ca 0.17 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 2vgg h ILE 357 Cb 0.04 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 35.99 2vgg h ILE 357 CO -0.03 0.21 -0.34 1.23 0.00 0.00 0.00 178.15 179.22 2vgg h GLY 358 N 1.13 -0.94 0.63 5.37 0.00 -0.92 0.43 103.07 108.77 2vgg h GLY 358 Ca 0.41 0.37 0.04 0.00 0.00 0.00 0.00 47.33 48.15 2vgg h GLY 358 CO -0.16 -0.34 -0.01 3.21 0.00 0.00 0.00 176.54 179.24 2vgg h ARG 359 N -0.89 0.06 0.07 4.80 3.08 -0.15 -0.63 114.38 120.73 2vgg h ARG 359 Ca -0.08 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.99 2vgg h ARG 359 Cb 0.70 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 2vgg h ARG 359 CO 0.11 0.04 -0.27 0.00 -1.07 0.00 0.00 179.97 178.78 2vgg h ASN 361 N -0.46 -0.97 -0.84 0.00 -0.26 -0.23 0.36 115.58 113.19 2vgg h ASN 361 Ca 0.04 0.26 0.12 0.00 -0.56 0.00 0.00 56.30 56.16 2vgg h ASN 361 Cb 0.51 0.58 -0.08 0.00 -1.06 0.00 0.00 38.32 38.26 2vgg h ASN 361 CO -0.19 -0.29 0.46 0.25 -1.06 0.00 0.00 177.43 176.61 2vgg h LEU 362 N -0.03 0.62 0.00 1.61 5.85 0.42 0.96 115.31 124.74 2vgg h LEU 362 Ca 0.37 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2vgg h LEU 362 Cb 0.60 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2vgg h LEU 362 CO -0.86 0.32 -0.19 0.00 -0.34 0.00 0.00 178.44 177.37 2vgg n ALA 363 N -2.39 2.55 -2.55 1.25 0.00 0.94 -4.94 120.51 115.37 2vgg n ALA 363 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2vgg n ALA 363 Cb 0.34 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.44 2vgg n ALA 363 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vgg n GLY 364 N 1.37 0.25 3.46 0.00 0.00 0.57 -5.07 105.19 105.78 2vgg n GLY 364 Ca 0.05 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2vgg n GLY 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vgg s LYS 365 N -4.97 2.16 0.34 1.61 1.02 -1.16 -4.91 119.74 113.82 2vgg s LYS 365 Ca 0.12 -0.92 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 2vgg s LYS 365 Cb -0.05 -2.23 -0.12 0.00 -0.52 0.00 0.00 37.83 34.91 2vgg s LYS 365 CO 0.14 0.56 1.42 -2.30 -0.92 0.00 0.00 175.35 174.25 2vgg n PRO 366 N 1.68 2.41 -4.67 -1.68 -0.02 -1.25 -4.46 135.00 127.01 2vgg n PRO 366 Ca -0.16 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 61.94 2vgg n PRO 366 Cb 0.52 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 2vgg n PRO 366 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2vgg s VAL 367 N -0.85 1.16 -0.13 -1.45 0.11 -1.26 -0.84 120.40 117.14 2vgg s VAL 367 Ca 0.57 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 2vgg s VAL 367 Cb -0.53 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.33 2vgg s VAL 367 CO 0.60 0.33 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.85 2vgg s VAL 368 N -0.17 2.75 -0.16 2.04 1.01 0.37 -0.03 120.40 126.22 2vgg s VAL 368 Ca 0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2vgg s VAL 368 Cb -0.08 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2vgg s VAL 368 CO 0.00 0.53 0.15 0.00 0.00 0.00 0.00 175.10 175.78 2vgg s ALA 370 N -0.30 -0.44 0.00 0.00 0.00 -1.20 -2.09 121.76 117.73 2vgg s ALA 370 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2vgg s ALA 370 Cb -0.12 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2vgg s ALA 370 CO 0.01 -0.32 0.00 2.41 0.00 0.00 0.00 175.76 177.87 2vgg n THR 371 N 0.92 -1.12 -1.70 0.00 -1.04 -1.26 -3.16 114.28 106.92 2vgg n THR 371 Ca -0.20 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.62 2vgg n THR 371 Cb 0.58 -1.12 -0.07 0.00 -1.82 0.00 0.00 70.33 67.90 2vgg n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vgg n GLN 372 N 0.94 -1.34 -0.01 -2.82 6.02 -1.26 -4.82 117.38 114.09 2vgg n GLN 372 Ca 0.00 1.11 -0.03 0.00 -0.01 0.00 0.00 57.00 58.07 2vgg n GLN 372 Cb 0.00 -5.45 0.22 0.00 1.02 0.00 0.00 30.24 26.02 2vgg n GLN 372 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2vgg h MET 373 N 0.00 0.54 -0.15 -1.09 2.86 -1.88 -3.24 114.93 111.96 2vgg h MET 373 Ca -0.39 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 56.91 2vgg h MET 373 Cb 1.24 -0.05 -0.24 0.00 0.06 0.00 0.00 31.60 32.61 2vgg h MET 373 CO 0.55 0.68 -0.81 1.28 1.06 0.00 0.00 176.91 179.68 2vgg n LEU 374 N -4.17 2.26 -0.28 1.22 4.32 -1.26 -4.55 117.00 114.53 2vgg n LEU 374 Ca 0.00 -3.24 -0.12 0.00 -0.02 0.00 0.00 56.01 52.64 2vgg n LEU 374 Cb 0.36 -0.20 -0.10 0.00 -1.62 0.00 0.00 43.42 41.87 2vgg n LEU 374 CO 0.41 1.13 0.49 -0.33 -1.22 0.00 0.00 177.39 177.88 2vgg h GLU 375 N 1.35 -0.19 -0.64 3.23 4.39 -1.96 0.17 114.58 120.93 2vgg h GLU 375 Ca -0.05 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.85 2vgg h GLU 375 Cb 1.42 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 2vgg h GLU 375 CO 0.16 -0.12 0.55 0.66 -1.16 0.00 0.00 179.01 179.09 2vgg h SER 376 N -0.19 0.00 0.01 1.42 4.64 -1.92 1.13 113.55 118.64 2vgg h SER 376 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2vgg h SER 376 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2vgg h SER 376 CO -0.77 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.42 2vgg n MET 377 N -3.98 0.03 0.21 4.77 2.81 0.05 -0.05 117.12 120.96 2vgg n MET 377 Ca 0.13 0.12 0.08 0.00 -1.81 0.00 0.00 57.70 56.21 2vgg n MET 377 Cb 0.79 -1.50 0.41 0.00 -0.71 0.00 0.00 33.22 32.21 2vgg n MET 377 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2vgg h ILE 378 N 0.00 0.69 0.00 2.02 2.04 0.12 -3.36 117.51 119.02 2vgg h ILE 378 Ca 0.00 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2vgg h ILE 378 Cb 0.01 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2vgg h ILE 378 CO 0.00 0.28 -0.79 0.41 0.00 0.00 0.00 178.15 178.05 2vgg n THR 379 N -3.46 0.00 -4.35 -0.27 -1.04 0.23 -1.98 114.28 103.41 2vgg n THR 379 Ca -0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 2vgg n THR 379 Cb 0.46 -0.71 -0.12 0.00 -1.82 0.00 0.00 70.33 68.14 2vgg n THR 379 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2vgg s LYS 380 N -1.79 1.64 0.00 -2.82 1.02 0.93 -4.92 119.74 113.80 2vgg s LYS 380 Ca 0.00 -1.29 0.31 0.00 0.02 0.00 0.00 55.97 55.01 2vgg s LYS 380 Cb 0.00 -2.01 1.79 0.00 -0.52 0.00 0.00 37.83 37.10 2vgg s LYS 380 CO 0.00 0.46 2.17 -0.35 -0.92 0.00 0.00 175.35 176.71 2vgg n PRO 381 N 0.70 0.94 -4.16 -1.68 -0.04 -1.26 -3.78 135.00 125.72 2vgg n PRO 381 Ca -0.16 -0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.08 2vgg n PRO 381 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.35 2vgg n PRO 381 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2vgg s ARG 382 N -2.09 0.51 0.65 0.54 1.81 -1.26 -4.99 118.95 114.11 2vgg s ARG 382 Ca 0.44 -0.17 -0.08 0.00 -1.72 0.00 0.00 55.73 54.21 2vgg s ARG 382 Cb 0.22 -0.51 0.02 0.00 -0.45 0.00 0.00 34.95 34.23 2vgg s ARG 382 CO 0.38 0.07 0.99 -1.25 -0.68 0.00 0.00 175.30 174.81 2vgg s PRO 383 N 0.13 2.74 0.74 3.54 0.04 -1.26 -4.58 135.00 136.34 2vgg s PRO 383 Ca -0.01 0.09 -0.10 0.00 0.04 0.00 0.00 61.00 61.02 2vgg s PRO 383 Cb -0.05 -2.17 0.06 0.00 0.04 0.00 0.00 34.50 32.37 2vgg s PRO 383 CO -0.00 -0.93 1.10 0.95 0.04 0.00 0.00 177.00 178.16 2vgg s THR 384 N -3.16 2.53 0.44 1.26 -4.23 -1.26 -4.90 115.64 106.31 2vgg s THR 384 Ca 0.56 0.05 0.14 0.00 -1.18 0.00 0.00 61.69 61.26 2vgg s THR 384 Cb -0.11 -3.14 0.18 0.00 1.34 0.00 0.00 72.50 70.77 2vgg s THR 384 CO 0.47 -0.18 1.98 0.03 -0.54 0.00 0.00 174.62 176.38 2vgg h ARG 385 N -0.79 0.04 -0.24 3.99 2.47 -2.00 -1.00 114.38 116.85 2vgg h ARG 385 Ca -0.45 -0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.17 2vgg h ARG 385 Cb 1.30 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2vgg h ARG 385 CO 0.64 0.21 -0.20 0.00 0.56 0.00 0.00 179.97 181.18 2vgg h ALA 386 N 1.79 0.35 -0.62 0.04 0.00 -1.98 -2.52 119.26 116.32 2vgg h ALA 386 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 2vgg h ALA 386 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2vgg h ALA 386 CO 0.02 0.29 0.10 0.93 0.00 0.00 0.00 179.25 180.59 2vgg h GLU 387 N 0.27 1.00 -0.05 0.00 5.08 -1.45 0.59 114.58 120.02 2vgg h GLU 387 Ca 0.04 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 2vgg h GLU 387 Cb 0.75 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 2vgg h GLU 387 CO 0.05 0.92 -0.10 1.15 -1.00 0.00 0.00 179.01 180.03 2vgg h THR 388 N 0.95 0.73 -0.98 1.13 2.02 -1.39 -1.24 112.91 114.13 2vgg h THR 388 Ca 0.19 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.45 2vgg h THR 388 Cb 0.41 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 2vgg h THR 388 CO 0.01 0.00 0.63 -1.28 0.37 0.00 0.00 175.52 175.25 2vgg h SER 389 N -0.15 0.97 0.02 4.18 0.87 -0.84 -2.26 113.55 116.33 2vgg h SER 389 Ca 0.06 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2vgg h SER 389 Cb 0.23 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2vgg h SER 389 CO -0.14 0.59 -0.01 -0.78 -0.53 0.00 0.00 176.83 175.96 2vgg h ASP 390 N 1.08 -0.02 0.19 6.23 3.58 0.13 -1.61 116.42 125.99 2vgg h ASP 390 Ca 0.44 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.77 2vgg h ASP 390 Cb 0.28 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2vgg h ASP 390 CO -0.19 0.12 -0.48 0.58 -2.88 0.00 0.00 179.24 176.38 2vgg h VAL 391 N -0.16 0.00 -0.30 2.25 2.07 -0.82 -0.63 116.25 118.67 2vgg h VAL 391 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2vgg h VAL 391 Cb 0.15 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.84 2vgg h VAL 391 CO 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.32 2vgg h ALA 392 N -0.71 -0.14 -0.82 1.67 0.00 -1.34 0.17 119.26 118.09 2vgg h ALA 392 Ca -0.02 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2vgg h ALA 392 Cb 0.72 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2vgg h ALA 392 CO -0.22 -0.69 0.55 -0.91 0.00 0.00 0.00 179.25 177.98 2vgg h ASN 393 N -0.25 0.35 -0.43 0.00 2.35 -1.09 0.24 115.58 116.75 2vgg h ASN 393 Ca 0.15 0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.85 2vgg h ASN 393 Cb 0.49 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2vgg h ASN 393 CO -0.44 0.16 -0.05 0.00 -1.65 0.00 0.00 177.43 175.45 2vgg h ALA 394 N 1.63 0.59 0.05 -0.83 0.00 0.94 0.55 119.26 122.18 2vgg h ALA 394 Ca 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vgg h ALA 394 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2vgg h ALA 394 CO -0.13 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 179.80 2vgg h VAL 395 N 0.63 1.08 0.00 0.00 2.07 -0.58 -1.84 116.25 117.60 2vgg h VAL 395 Ca 0.12 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2vgg h VAL 395 Cb 0.56 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2vgg h VAL 395 CO 0.03 0.10 -0.01 -0.07 0.02 0.00 0.00 177.57 177.64 2vgg h LEU 396 N -0.24 0.00 -0.51 2.57 -0.00 -0.85 0.64 115.31 116.91 2vgg h LEU 396 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.72 2vgg h LEU 396 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2vgg h LEU 396 CO 0.01 0.01 -0.46 0.44 -0.00 0.00 0.00 178.44 178.44 2vgg h ASP 397 N 0.00 0.75 0.00 -0.43 3.32 0.92 -3.47 116.42 117.51 2vgg h ASP 397 Ca -0.00 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2vgg h ASP 397 Cb 0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2vgg h ASP 397 CO 0.00 1.09 0.00 0.61 -1.72 0.00 0.00 179.24 179.22 2vgg n GLY 398 N 0.14 0.20 3.75 2.75 0.00 0.22 -4.79 105.19 107.46 2vgg n GLY 398 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2vgg n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vgg n ALA 399 N 0.00 1.98 0.08 4.61 0.00 -0.92 -4.91 120.51 121.35 2vgg n ALA 399 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 53.44 53.55 2vgg n ALA 399 Cb 0.00 -2.37 -0.14 0.00 0.00 0.00 0.00 19.45 16.93 2vgg n ALA 399 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vgg h ASP 400 N 2.50 0.48 -4.80 0.00 3.32 -0.80 -3.45 116.42 113.67 2vgg h ASP 400 Ca -0.50 -0.62 -0.25 0.00 0.02 0.00 0.00 57.03 55.68 2vgg h ASP 400 Cb 1.27 -0.16 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 2vgg h ASP 400 CO 0.62 1.51 -0.72 0.00 -1.72 0.00 0.00 179.24 178.93 2vgg s ILE 402 N -1.69 2.37 0.29 0.00 -4.36 -0.89 -1.65 121.20 115.27 2vgg s ILE 402 Ca -0.08 -2.23 0.08 0.00 -0.26 0.00 0.00 60.65 58.16 2vgg s ILE 402 Cb -0.08 -2.20 -0.06 0.00 1.25 0.00 0.00 42.46 41.37 2vgg s ILE 402 CO -0.01 -0.29 -0.10 -0.32 0.24 0.00 0.00 174.94 174.46 2vgg s MET 403 N -3.14 1.61 0.01 0.37 1.75 -0.89 -0.43 119.30 118.59 2vgg s MET 403 Ca 0.25 -1.79 0.02 0.00 -1.25 0.00 0.00 55.69 52.92 2vgg s MET 403 Cb -0.06 -1.40 -0.01 0.00 2.84 0.00 0.00 34.83 36.20 2vgg s MET 403 CO 0.12 0.13 -0.08 -0.51 -0.65 0.00 0.00 175.02 174.04 2vgg s LEU 404 N -3.48 2.10 0.00 4.11 1.43 0.63 -4.56 118.68 118.91 2vgg s LEU 404 Ca 0.29 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2vgg s LEU 404 Cb 0.01 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.91 2vgg s LEU 404 CO 0.13 -0.00 0.00 -1.20 0.23 0.00 0.00 176.35 175.50 2vgg n SER 405 N 2.38 0.00 -0.34 2.29 7.64 -1.26 -2.27 113.62 122.05 2vgg n SER 405 Ca -0.16 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.80 2vgg n SER 405 Cb 0.56 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.95 2vgg n SER 405 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2vgg h GLY 406 N 0.00 0.87 -0.78 0.23 0.00 -1.97 0.45 103.07 101.87 2vgg h GLY 406 Ca 0.00 0.26 0.38 0.00 0.00 0.00 0.00 47.33 47.97 2vgg h GLY 406 CO 0.00 -0.41 0.79 0.83 0.00 0.00 0.00 176.54 177.75 2vgg h GLU 407 N 0.01 0.18 0.00 4.80 3.07 -1.88 -2.21 114.58 118.55 2vgg h GLU 407 Ca 0.50 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2vgg h GLU 407 Cb 0.86 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2vgg h GLU 407 CO -0.96 0.12 -0.32 0.25 -1.40 0.00 0.00 179.01 176.70 2vgg n THR 408 N -4.67 0.00 0.07 1.13 -2.24 0.13 -3.90 114.28 104.80 2vgg n THR 408 Ca 0.33 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 2vgg n THR 408 Cb 1.24 0.86 -0.15 0.00 -2.10 0.00 0.00 70.33 70.18 2vgg n THR 408 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vgg h ALA 409 N 0.16 -0.07 0.00 6.98 0.00 -0.33 -3.37 119.26 122.63 2vgg h ALA 409 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2vgg h ALA 409 Cb 0.04 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2vgg h ALA 409 CO 0.00 0.56 -0.97 1.63 0.00 0.00 0.00 179.25 180.47 2vgg n LYS 410 N -3.96 2.96 -1.58 0.00 5.02 -0.88 -1.22 118.16 118.50 2vgg n LYS 410 Ca -0.17 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.83 2vgg n LYS 410 Cb 0.93 -0.98 0.13 0.00 -0.02 0.00 0.00 35.03 35.08 2vgg n LYS 410 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2vgg s GLY 411 N -2.69 1.58 0.00 0.72 0.00 -1.10 -4.70 107.32 101.14 2vgg s GLY 411 Ca 0.00 -0.51 0.29 0.00 0.00 0.00 0.00 44.72 44.49 2vgg s GLY 411 CO 0.00 0.03 2.07 0.70 0.00 0.00 0.00 173.10 175.89 2vgg n ASN 412 N -3.68 0.00 -2.76 1.64 3.02 -0.84 -4.20 115.26 108.44 2vgg n ASN 412 Ca 0.07 -1.00 -0.03 0.00 -0.03 0.00 0.00 54.58 53.59 2vgg n ASN 412 Cb 0.59 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.82 2vgg n ASN 412 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2vgg n PHE 413 N -0.97 0.77 0.18 3.10 3.01 -1.26 -4.97 117.46 117.31 2vgg n PHE 413 Ca 0.21 -2.30 -0.14 0.00 1.01 0.00 0.00 57.45 56.23 2vgg n PHE 413 Cb 0.10 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.46 2vgg n PHE 413 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2vgg h PRO 414 N 2.57 -0.53 -0.35 -1.08 0.13 -1.73 0.58 132.00 131.59 2vgg h PRO 414 Ca -0.16 0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.04 2vgg h PRO 414 Cb 1.25 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.46 2vgg h PRO 414 CO 0.24 -0.36 0.14 0.28 -0.23 0.00 0.00 178.00 178.07 2vgg h VAL 415 N -0.56 0.93 -0.66 1.56 2.07 -1.92 -1.73 116.25 115.93 2vgg h VAL 415 Ca -0.01 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2vgg h VAL 415 Cb 0.51 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2vgg h VAL 415 CO -0.05 0.05 0.44 -0.33 0.02 0.00 0.00 177.57 177.70 2vgg h GLU 416 N 0.30 0.74 -0.40 1.57 3.07 -1.74 -0.70 114.58 117.41 2vgg h GLU 416 Ca 0.15 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.92 2vgg h GLU 416 Cb 0.11 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2vgg h GLU 416 CO -0.14 0.49 0.08 0.00 -1.40 0.00 0.00 179.01 178.03 2vgg h ALA 417 N 1.62 0.53 -0.36 3.43 0.00 -0.33 -2.09 119.26 122.07 2vgg h ALA 417 Ca 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vgg h ALA 417 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2vgg h ALA 417 CO -0.08 0.23 0.21 0.28 0.00 0.00 0.00 179.25 179.89 2vgg h VAL 418 N 0.50 1.13 -0.82 0.00 2.07 -0.43 -1.65 116.25 117.05 2vgg h VAL 418 Ca 0.12 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.44 2vgg h VAL 418 Cb 0.35 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 2vgg h VAL 418 CO 0.01 0.13 0.46 0.11 0.02 0.00 0.00 177.57 178.29 2vgg h LYS 419 N 0.46 0.74 0.81 1.57 1.57 -0.86 0.48 116.57 121.33 2vgg h LYS 419 Ca 0.13 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2vgg h LYS 419 Cb 0.02 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.17 2vgg h LYS 419 CO -0.02 0.49 -0.39 1.98 -0.57 0.00 0.00 179.45 180.94 2vgg h MET 420 N 0.76 -1.05 -0.94 3.15 4.05 -0.96 0.24 114.93 120.17 2vgg h MET 420 Ca 0.40 0.07 0.22 0.00 -0.28 0.00 0.00 59.70 60.12 2vgg h MET 420 Cb 0.40 0.24 -0.12 0.00 -0.80 0.00 0.00 31.60 31.32 2vgg h MET 420 CO -0.26 -0.69 0.49 1.96 0.23 0.00 0.00 176.91 178.64 2vgg h GLN 421 N -1.18 0.50 -0.71 0.39 4.20 -0.92 0.24 115.11 117.62 2vgg h GLN 421 Ca -0.11 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 2vgg h GLN 421 Cb 0.85 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 2vgg h GLN 421 CO 0.18 0.33 0.21 1.25 -0.67 0.00 0.00 178.83 180.13 2vgg h HIS 422 N 0.51 1.16 -0.41 2.96 2.76 -0.05 -2.39 115.15 119.68 2vgg h HIS 422 Ca 0.59 -0.12 -0.12 0.00 -2.20 0.00 0.00 60.37 58.52 2vgg h HIS 422 Cb 1.09 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2vgg h HIS 422 CO -0.07 0.92 -0.23 0.00 -1.30 0.00 0.00 177.93 177.25 2vgg h ALA 423 N 1.15 0.59 0.05 5.26 0.00 0.25 -2.98 119.26 123.58 2vgg h ALA 423 Ca 0.23 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2vgg h ALA 423 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2vgg h ALA 423 CO -0.00 0.57 -0.02 0.82 0.00 0.00 0.00 179.25 180.61 2vgg h ILE 424 N 0.71 1.17 -0.73 0.00 2.04 -0.74 -3.07 117.51 116.87 2vgg h ILE 424 Ca 0.09 -0.72 0.16 0.00 1.00 0.00 0.00 64.86 65.38 2vgg h ILE 424 Cb 0.80 1.64 -0.11 0.00 -0.74 0.00 0.00 36.82 38.41 2vgg h ILE 424 CO 0.07 0.18 0.16 0.00 0.00 0.00 0.00 178.15 178.56 2vgg h ALA 425 N 0.54 0.93 -0.80 1.87 0.00 -1.50 0.19 119.26 120.49 2vgg h ALA 425 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2vgg h ALA 425 Cb 0.35 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2vgg h ALA 425 CO 0.01 -0.35 0.44 0.00 0.00 0.00 0.00 179.25 179.35 2vgg h ARG 426 N 0.25 1.11 0.03 0.00 3.08 -1.43 0.33 114.38 117.75 2vgg h ARG 426 Ca 0.41 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 2vgg h ARG 426 Cb 0.70 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2vgg h ARG 426 CO -0.52 0.81 -0.01 0.93 -1.07 0.00 0.00 179.97 180.11 2vgg h GLU 427 N 1.12 -0.04 -0.89 0.04 4.39 -1.07 -2.87 114.58 115.26 2vgg h GLU 427 Ca 0.28 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.11 2vgg h GLU 427 Cb 0.02 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 28.61 2vgg h GLU 427 CO -0.05 0.43 0.57 0.00 -1.16 0.00 0.00 179.01 178.81 2vgg h ALA 428 N 0.43 1.74 -0.20 3.43 0.00 -0.69 -1.32 119.26 122.65 2vgg h ALA 428 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2vgg h ALA 428 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2vgg h ALA 428 CO 0.01 0.04 -0.27 0.93 0.00 0.00 0.00 179.25 179.96 2vgg h GLU 429 N 0.77 0.39 0.00 0.00 5.08 -0.26 -0.65 114.58 119.90 2vgg h GLU 429 Ca 0.44 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2vgg h GLU 429 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2vgg h GLU 429 CO -0.20 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 2vgg n ALA 430 N -2.48 1.97 0.73 3.43 0.00 -0.53 -2.86 120.51 120.76 2vgg n ALA 430 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.47 2vgg n ALA 430 Cb 0.40 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2vgg n ALA 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg n ALA 431 N -1.47 3.95 -1.65 0.00 0.00 -0.27 -4.92 120.51 116.15 2vgg n ALA 431 Ca 0.06 -0.50 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 2vgg n ALA 431 Cb 0.23 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 2vgg n ALA 431 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2vgg n VAL 432 N -1.75 1.73 -2.78 0.00 0.31 -1.10 -4.88 118.33 109.86 2vgg n VAL 432 Ca 0.02 -0.43 -0.42 0.00 -0.01 0.00 0.00 64.34 63.50 2vgg n VAL 432 Cb 0.40 -1.31 0.01 0.00 -0.91 0.00 0.00 33.84 32.02 2vgg n VAL 432 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2vgg n TYR 433 N 0.66 2.44 -0.30 3.52 9.36 -1.26 -4.89 117.16 126.69 2vgg n TYR 433 Ca 0.08 -2.60 0.01 0.00 3.32 0.00 0.00 57.90 58.71 2vgg n TYR 433 Cb 0.33 -1.36 0.08 0.00 -0.63 0.00 0.00 39.34 37.76 2vgg n TYR 433 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2vgg h HIS 434 N 5.15 -0.67 0.00 2.98 3.86 -1.90 -1.05 115.15 123.52 2vgg h HIS 434 Ca 0.33 0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 2vgg h HIS 434 Cb 0.53 0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2vgg h HIS 434 CO 1.15 -0.38 0.00 -2.13 0.86 0.00 0.00 177.93 177.43 2vgg n ARG 435 N -5.52 0.00 -0.31 2.45 0.63 -1.26 0.21 116.66 112.86 2vgg n ARG 435 Ca 0.11 0.12 0.15 0.00 -0.92 0.00 0.00 57.85 57.31 2vgg n ARG 435 Cb 0.41 -0.28 0.33 0.00 0.45 0.00 0.00 32.46 33.37 2vgg n ARG 435 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2vgg h GLN 436 N 0.00 0.29 0.87 -0.14 4.15 -1.61 -1.12 115.11 117.54 2vgg h GLN 436 Ca 0.00 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2vgg h GLN 436 Cb 0.00 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.63 2vgg h GLN 436 CO 0.00 0.19 -0.42 1.25 -1.93 0.00 0.00 178.83 177.93 2vgg h LEU 437 N 0.30 -0.99 0.19 -2.39 5.85 0.32 0.55 115.31 119.14 2vgg h LEU 437 Ca 0.58 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.33 2vgg h LEU 437 Cb 1.18 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2vgg h LEU 437 CO -0.60 -0.66 -0.13 0.15 -0.34 0.00 0.00 178.44 176.87 2vgg h PHE 438 N -1.25 -0.33 -0.33 1.25 3.57 0.20 0.60 116.94 120.65 2vgg h PHE 438 Ca -0.12 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.43 2vgg h PHE 438 Cb 0.90 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.68 2vgg h PHE 438 CO -0.00 -0.20 -0.52 0.93 -2.23 0.00 0.00 178.31 176.29 2vgg h GLU 439 N -0.31 -0.42 -0.48 1.11 5.08 -1.20 0.50 114.58 118.85 2vgg h GLU 439 Ca -0.01 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 2vgg h GLU 439 Cb 0.27 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 2vgg h GLU 439 CO 0.00 -0.28 0.00 0.93 -1.00 0.00 0.00 179.01 178.67 2vgg h GLU 440 N -0.44 0.11 0.80 2.33 5.08 0.95 0.51 114.58 123.93 2vgg h GLU 440 Ca 0.08 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2vgg h GLU 440 Cb 0.62 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2vgg h GLU 440 CO -0.54 0.07 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.09 2vgg h LEU 441 N 0.12 -0.91 -0.63 1.33 3.38 0.97 -0.66 115.31 118.91 2vgg h LEU 441 Ca 0.24 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.30 2vgg h LEU 441 Cb 0.36 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.27 2vgg h LEU 441 CO -0.40 -0.61 -0.37 0.54 0.09 0.00 0.00 178.44 177.69 2vgg n ARG 442 N -5.11 -0.28 -0.07 1.13 1.74 0.17 -0.33 116.66 113.92 2vgg n ARG 442 Ca -0.13 1.11 -0.08 0.00 -0.77 0.00 0.00 57.85 57.97 2vgg n ARG 442 Cb 0.42 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 2vgg n ARG 442 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 2vgg h ARG 443 N 0.00 -0.27 -0.32 5.56 2.43 0.24 -1.68 114.38 120.34 2vgg h ARG 443 Ca 0.10 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2vgg h ARG 443 Cb 0.26 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2vgg h ARG 443 CO -0.59 -0.18 -0.30 0.00 -1.51 0.00 0.00 179.97 177.39 2vgg h ALA 444 N 0.70 0.87 -2.71 2.80 0.00 0.18 -3.44 119.26 117.67 2vgg h ALA 444 Ca 0.14 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 54.13 2vgg h ALA 444 Cb 0.51 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 18.23 2vgg h ALA 444 CO -0.44 0.63 0.85 0.00 0.00 0.00 0.00 179.25 180.29 2vgg s ALA 445 N -4.45 3.73 0.78 0.00 0.00 0.55 -4.97 121.76 117.41 2vgg s ALA 445 Ca -0.08 1.43 -0.11 0.00 0.00 0.00 0.00 51.96 53.20 2vgg s ALA 445 Cb 0.13 -3.61 0.06 0.00 0.00 0.00 0.00 23.12 19.69 2vgg s ALA 445 CO 0.83 -0.83 1.09 -1.25 0.00 0.00 0.00 175.76 175.59 2vgg s PRO 446 N 0.18 2.20 0.94 0.00 0.04 -1.26 -4.94 135.00 132.16 2vgg s PRO 446 Ca 0.65 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 62.59 2vgg s PRO 446 Cb -0.45 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2vgg s PRO 446 CO 0.40 -1.64 0.22 1.28 0.04 0.00 0.00 177.00 177.30 2vgg n LEU 447 N -3.51 -1.08 -3.94 -3.56 4.77 -1.26 -5.01 117.00 103.42 2vgg n LEU 447 Ca 0.08 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 2vgg n LEU 447 Cb 0.54 -1.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.41 2vgg n LEU 447 CO 0.54 -3.99 -0.13 -0.55 -1.33 0.00 0.00 177.39 171.94 2vgg s SER 448 N -1.82 0.16 0.00 -1.43 0.15 -1.26 -5.05 113.70 104.46 2vgg s SER 448 Ca 0.55 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2vgg s SER 448 Cb -0.22 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2vgg s SER 448 CO 0.69 -0.76 0.46 -1.14 1.20 0.00 0.00 173.24 173.70 2vgg n ARG 449 N -0.08 -0.68 -2.79 5.44 3.00 -1.26 -4.92 116.66 115.36 2vgg n ARG 449 Ca -0.12 -0.48 -0.42 0.00 -0.00 0.00 0.00 57.85 56.82 2vgg n ARG 449 Cb 0.62 -0.93 -0.03 0.00 0.00 0.00 0.00 32.46 32.12 2vgg n ARG 449 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2vgg s ASP 450 N -0.05 6.87 0.44 6.15 2.15 -1.26 -4.90 116.67 126.07 2vgg s ASP 450 Ca 0.00 1.00 0.27 0.00 0.43 0.00 0.00 52.55 54.25 2vgg s ASP 450 Cb 0.00 -2.48 1.32 0.00 -0.30 0.00 0.00 42.92 41.46 2vgg s ASP 450 CO 0.00 -0.68 1.71 -0.65 -0.17 0.00 0.00 175.17 175.39 2vgg h PRO 451 N 7.88 0.20 0.58 4.34 0.11 -1.94 -1.38 132.00 141.79 2vgg h PRO 451 Ca -0.22 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 2vgg h PRO 451 Cb 1.08 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.15 2vgg h PRO 451 CO 0.94 0.13 -0.28 1.15 -0.21 0.00 0.00 178.00 179.73 2vgg h THR 452 N 0.20 0.41 -0.76 -1.15 2.02 -1.91 0.31 112.91 112.03 2vgg h THR 452 Ca 0.69 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.86 2vgg h THR 452 Cb 2.11 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 68.89 2vgg h THR 452 CO -0.28 0.02 0.41 -0.33 0.37 0.00 0.00 175.52 175.70 2vgg h GLU 453 N -0.85 0.67 -0.35 6.66 5.08 -1.65 0.31 114.58 124.44 2vgg h GLU 453 Ca -0.08 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2vgg h GLU 453 Cb 0.63 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2vgg h GLU 453 CO 0.13 0.44 0.11 0.28 -1.00 0.00 0.00 179.01 178.97 2vgg h VAL 454 N 0.69 0.88 -0.64 3.13 2.07 -1.10 1.00 116.25 122.27 2vgg h VAL 454 Ca 0.37 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.74 2vgg h VAL 454 Cb 0.36 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2vgg h VAL 454 CO -0.26 0.04 0.13 0.74 0.02 0.00 0.00 177.57 178.25 2vgg h THR 455 N 0.24 1.26 0.58 2.57 2.02 -0.29 -2.18 112.91 117.12 2vgg h THR 455 Ca 0.16 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 2vgg h THR 455 Cb 0.15 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2vgg h THR 455 CO -0.18 0.37 -0.28 0.00 0.37 0.00 0.00 175.52 175.80 2vgg h ALA 456 N 1.05 -0.78 -0.41 6.16 0.00 0.06 0.41 119.26 125.74 2vgg h ALA 456 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2vgg h ALA 456 Cb 0.40 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2vgg h ALA 456 CO 0.01 -0.93 0.07 0.97 0.00 0.00 0.00 179.25 179.37 2vgg h ILE 457 N -0.81 1.20 -0.51 0.00 2.10 -0.87 -0.23 117.51 118.39 2vgg h ILE 457 Ca -0.08 -0.73 -0.01 0.00 1.08 0.00 0.00 64.86 65.11 2vgg h ILE 457 Cb 0.61 0.81 -0.02 0.00 -1.09 0.00 0.00 36.82 37.13 2vgg h ILE 457 CO 0.13 0.26 0.27 1.23 -1.08 0.00 0.00 178.15 178.96 2vgg h GLY 458 N 0.85 0.77 0.99 8.18 0.00 -0.98 -1.45 103.07 111.44 2vgg h GLY 458 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2vgg h GLY 458 CO 0.00 0.35 0.18 0.00 0.00 0.00 0.00 176.54 177.07 2vgg h ALA 459 N 1.11 0.36 0.09 3.60 0.00 0.58 -1.57 119.26 123.42 2vgg h ALA 459 Ca 0.18 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2vgg h ALA 459 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2vgg h ALA 459 CO -0.03 -0.18 -0.22 0.28 0.00 0.00 0.00 179.25 179.10 2vgg h VAL 460 N 0.38 0.50 -0.47 0.00 2.07 -0.84 0.69 116.25 118.58 2vgg h VAL 460 Ca 0.11 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.72 2vgg h VAL 460 Cb -0.04 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.13 2vgg h VAL 460 CO -0.03 0.00 -0.19 -0.08 0.02 0.00 0.00 177.57 177.29 2vgg h GLU 461 N -0.40 -0.09 -0.80 1.57 4.57 -1.19 -0.10 114.58 118.14 2vgg h GLU 461 Ca 0.04 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2vgg h GLU 461 Cb 0.43 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2vgg h GLU 461 CO -0.14 -0.06 0.52 0.00 -1.18 0.00 0.00 179.01 178.15 2vgg h ALA 462 N 1.27 1.03 -0.08 2.92 0.00 -0.85 -1.81 119.26 121.73 2vgg h ALA 462 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2vgg h ALA 462 Cb 0.44 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2vgg h ALA 462 CO -0.54 0.37 -0.51 0.00 0.00 0.00 0.00 179.25 178.57 2vgg h ALA 463 N 1.32 -0.89 -0.82 0.00 0.00 0.41 -1.79 119.26 117.49 2vgg h ALA 463 Ca 0.31 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.28 2vgg h ALA 463 Cb -0.05 0.97 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2vgg h ALA 463 CO -0.09 -1.07 0.42 0.74 0.00 0.00 0.00 179.25 179.25 2vgg h PHE 464 N -0.58 0.74 -0.21 0.00 -1.00 -0.73 -1.45 116.94 113.71 2vgg h PHE 464 Ca 0.02 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.90 2vgg h PHE 464 Cb 0.66 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 2vgg h PHE 464 CO -0.56 0.21 0.21 -0.22 -1.61 0.00 0.00 178.31 176.34 2vgg h LYS 465 N 0.63 0.00 0.00 1.51 1.63 -0.47 -2.68 116.57 117.20 2vgg h LYS 465 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2vgg h LYS 465 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2vgg h LYS 465 CO -0.33 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.67 2vgg n ALA 468 N -4.73 -3.02 0.10 0.00 0.00 -0.76 -4.84 120.51 107.26 2vgg n ALA 468 Ca -0.05 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.84 2vgg n ALA 468 Cb 0.57 -1.55 0.19 0.00 0.00 0.00 0.00 19.45 18.67 2vgg n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vgg h ALA 469 N 1.66 1.02 -2.10 0.00 0.00 -1.68 -3.40 119.26 114.76 2vgg h ALA 469 Ca -0.34 -0.47 0.19 0.00 0.00 0.00 0.00 54.91 54.28 2vgg h ALA 469 Cb 1.33 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 2vgg h ALA 469 CO 0.56 0.65 0.57 0.00 0.00 0.00 0.00 179.25 181.03 2vgg s ALA 470 N -3.94 -1.84 -0.14 0.00 0.00 -1.26 -3.55 121.76 111.03 2vgg s ALA 470 Ca -0.04 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2vgg s ALA 470 Cb 0.13 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2vgg s ALA 470 CO 0.78 -0.90 -0.19 0.42 0.00 0.00 0.00 175.76 175.87 2vgg s ILE 471 N -3.02 2.41 -0.44 0.00 1.01 0.19 -1.72 121.20 119.63 2vgg s ILE 471 Ca 0.10 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 2vgg s ILE 471 Cb -0.00 -1.99 0.11 0.00 0.01 0.00 0.00 42.46 40.59 2vgg s ILE 471 CO -0.03 0.53 0.28 -0.63 0.00 0.00 0.00 174.94 175.10 2vgg s ILE 472 N 0.70 3.96 -0.00 2.92 1.01 -0.35 0.29 121.20 129.73 2vgg s ILE 472 Ca -0.08 -1.75 -0.07 0.00 0.00 0.00 0.00 60.65 58.74 2vgg s ILE 472 Cb -0.16 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2vgg s ILE 472 CO 0.01 -0.67 0.27 -0.69 0.00 0.00 0.00 174.94 173.86 2vgg s VAL 473 N 1.32 5.29 -0.35 2.92 1.01 0.34 -2.08 120.40 128.86 2vgg s VAL 473 Ca 0.05 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 2vgg s VAL 473 Cb -0.24 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2vgg s VAL 473 CO -0.01 0.41 0.36 -0.76 0.00 0.00 0.00 175.10 175.10 2vgg s LEU 474 N -1.62 4.46 -0.03 3.92 1.02 -1.05 -0.47 118.68 124.91 2vgg s LEU 474 Ca 0.26 -0.26 0.02 0.00 0.02 0.00 0.00 54.13 54.17 2vgg s LEU 474 Cb -0.13 -2.34 0.01 0.00 0.02 0.00 0.00 46.19 43.75 2vgg s LEU 474 CO 0.14 -0.35 -0.08 0.28 0.02 0.00 0.00 176.35 176.36 2vgg s THR 475 N 2.02 0.75 -0.02 5.49 -1.32 -0.49 -4.84 115.64 117.23 2vgg s THR 475 Ca 0.12 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 60.20 2vgg s THR 475 Cb -0.17 -0.69 -0.30 0.00 -1.51 0.00 0.00 72.50 69.84 2vgg s THR 475 CO 0.12 0.25 0.78 0.74 -2.21 0.00 0.00 174.62 174.30 2vgg h THR 476 N 5.56 1.07 0.00 5.08 2.02 -1.89 -3.38 112.91 121.37 2vgg h THR 476 Ca -0.34 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.18 2vgg h THR 476 Cb 1.17 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 2vgg h THR 476 CO 0.48 0.83 -0.04 0.35 0.37 0.00 0.00 175.52 177.52 2vgg n THR 477 N -3.53 0.97 0.00 3.16 -2.24 -1.26 -4.57 114.28 106.80 2vgg n THR 477 Ca -0.20 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.53 2vgg n THR 477 Cb 1.06 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2vgg n THR 477 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vgg n GLY 478 N -0.60 2.76 0.29 3.38 0.00 -1.26 -4.88 105.19 104.88 2vgg n GLY 478 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 2vgg n GLY 478 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2vgg n HIS 479 N -0.56 0.57 0.01 1.61 -0.00 -1.26 -0.36 115.22 115.23 2vgg n HIS 479 Ca 0.00 1.02 -0.04 0.00 -0.00 0.00 0.00 57.72 58.70 2vgg n HIS 479 Cb 0.00 -1.16 0.17 0.00 -0.00 0.00 0.00 29.99 29.01 2vgg n HIS 479 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2vgg h SER 480 N 0.00 0.50 -0.12 0.26 0.02 -1.93 -1.64 113.55 110.63 2vgg h SER 480 Ca 0.53 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 61.15 2vgg h SER 480 Cb 1.12 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 2vgg h SER 480 CO -0.79 0.78 -0.40 0.00 -1.14 0.00 0.00 176.83 175.28 2vgg h ALA 481 N 1.25 0.78 -0.28 3.77 0.00 -1.09 -2.43 119.26 121.27 2vgg h ALA 481 Ca 0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2vgg h ALA 481 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2vgg h ALA 481 CO 0.06 0.65 0.03 0.37 0.00 0.00 0.00 179.25 180.36 2vgg h GLN 482 N 0.53 0.48 -0.35 0.00 4.15 -0.95 -1.74 115.11 117.23 2vgg h GLN 482 Ca 0.04 -0.14 0.05 0.00 0.77 0.00 0.00 58.65 59.38 2vgg h GLN 482 Cb 0.93 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.52 2vgg h GLN 482 CO 0.08 0.60 0.07 -0.07 -1.93 0.00 0.00 178.83 177.58 2vgg h LEU 483 N 0.29 -0.00 -0.46 -2.39 3.38 -1.20 -0.24 115.31 114.68 2vgg h LEU 483 Ca 0.08 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2vgg h LEU 483 Cb 0.37 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2vgg h LEU 483 CO 0.01 0.04 0.22 -0.07 0.09 0.00 0.00 178.44 178.73 2vgg h LEU 484 N 0.18 0.31 -0.77 1.67 3.38 -1.14 -2.92 115.31 116.02 2vgg h LEU 484 Ca 0.17 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 2vgg h LEU 484 Cb 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2vgg h LEU 484 CO -0.23 0.22 0.05 0.77 0.09 0.00 0.00 178.44 179.35 2vgg h SER 485 N 0.45 0.95 -0.45 -0.43 4.64 -0.38 -2.17 113.55 116.16 2vgg h SER 485 Ca 0.20 -0.23 0.12 0.00 -0.47 0.00 0.00 61.79 61.41 2vgg h SER 485 Cb 0.12 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 61.88 2vgg h SER 485 CO -0.15 0.97 0.00 -1.14 -0.87 0.00 0.00 176.83 175.65 2vgg n ARG 486 N -4.21 -0.04 -0.01 4.77 0.63 -0.20 0.26 116.66 117.87 2vgg n ARG 486 Ca 0.03 0.67 0.14 0.00 -0.92 0.00 0.00 57.85 57.77 2vgg n ARG 486 Cb 0.30 -1.06 0.58 0.00 0.45 0.00 0.00 32.46 32.73 2vgg n ARG 486 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2vgg n TYR 487 N -4.49 0.04 -3.41 -0.14 4.02 -0.82 -4.95 117.16 107.40 2vgg n TYR 487 Ca 0.10 -0.02 -0.18 0.00 -0.01 0.00 0.00 57.90 57.80 2vgg n TYR 487 Cb 0.34 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.73 2vgg n TYR 487 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2vgg n ARG 488 N -0.06 -4.34 -0.58 -0.72 5.12 0.73 -4.72 116.66 112.10 2vgg n ARG 488 Ca 0.19 0.80 -0.30 0.00 -1.93 0.00 0.00 57.85 56.61 2vgg n ARG 488 Cb 0.29 -5.65 0.21 0.00 -1.16 0.00 0.00 32.46 26.16 2vgg n ARG 488 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2vgg n PRO 489 N -3.80 -1.47 -0.03 5.56 -0.02 -1.26 -4.89 135.00 129.08 2vgg n PRO 489 Ca -0.19 -0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 60.80 2vgg n PRO 489 Cb 0.65 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.76 2vgg n PRO 489 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2vgg n ARG 490 N -4.37 0.66 -2.14 -0.52 0.63 -1.26 -4.87 116.66 104.78 2vgg n ARG 490 Ca 0.07 0.24 -0.37 0.00 -0.92 0.00 0.00 57.85 56.87 2vgg n ARG 490 Cb 0.53 -1.73 0.01 0.00 0.45 0.00 0.00 32.46 31.72 2vgg n ARG 490 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2vgg s ALA 491 N -2.57 2.88 0.31 5.13 0.00 -1.26 -4.96 121.76 121.29 2vgg s ALA 491 Ca -0.09 1.01 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2vgg s ALA 491 Cb 0.07 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2vgg s ALA 491 CO 0.81 -0.85 1.34 0.00 0.00 0.00 0.00 175.76 177.06 2vgg s ALA 492 N -1.52 3.52 -0.64 0.00 0.00 -1.23 -4.68 121.76 117.20 2vgg s ALA 492 Ca 0.67 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 2vgg s ALA 492 Cb -0.31 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.45 2vgg s ALA 492 CO 0.36 -0.68 0.68 0.08 0.00 0.00 0.00 175.76 176.21 2vgg s VAL 493 N -0.90 5.08 -0.55 0.00 1.01 -0.50 0.52 120.40 125.07 2vgg s VAL 493 Ca 0.51 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 2vgg s VAL 493 Cb -0.40 -4.46 0.04 0.00 0.00 0.00 0.00 36.38 31.56 2vgg s VAL 493 CO 0.51 -1.06 0.93 -0.63 0.00 0.00 0.00 175.10 174.86 2vgg s ILE 494 N 1.89 4.41 -0.26 2.22 1.01 0.14 -0.39 121.20 130.22 2vgg s ILE 494 Ca 0.11 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 2vgg s ILE 494 Cb -0.22 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.68 2vgg s ILE 494 CO 0.01 -1.09 0.15 0.00 0.00 0.00 0.00 174.94 174.01 2vgg s ALA 495 N 3.89 3.44 -0.17 9.38 0.00 -0.81 -0.50 121.76 136.99 2vgg s ALA 495 Ca 0.30 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 2vgg s ALA 495 Cb -0.13 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2vgg s ALA 495 CO 0.19 -0.47 0.08 0.08 0.00 0.00 0.00 175.76 175.64 2vgg s VAL 496 N 1.59 4.94 -0.02 0.00 1.01 0.38 -0.89 120.40 127.42 2vgg s VAL 496 Ca 0.07 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 2vgg s VAL 496 Cb -0.15 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2vgg s VAL 496 CO 0.08 0.49 0.39 0.28 0.00 0.00 0.00 175.10 176.34 2vgg s THR 497 N 0.05 0.05 -0.55 3.92 -1.32 -0.65 -1.40 115.64 115.73 2vgg s THR 497 Ca 0.06 -0.38 0.23 0.00 -1.21 0.00 0.00 61.69 60.40 2vgg s THR 497 Cb -0.12 -0.70 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 2vgg s THR 497 CO 0.00 -0.21 1.15 0.54 -2.21 0.00 0.00 174.62 173.90 2vgg n ARG 498 N 1.17 0.35 -2.62 7.08 1.74 -1.26 -0.52 116.66 122.60 2vgg n ARG 498 Ca -0.21 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.51 2vgg n ARG 498 Cb 0.56 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 2vgg n ARG 498 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vgg s SER 499 N -4.32 6.22 0.27 0.55 0.15 -1.26 -4.80 113.70 110.51 2vgg s SER 499 Ca 0.04 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.25 2vgg s SER 499 Cb 0.13 -2.53 0.63 0.00 -1.71 0.00 0.00 66.02 62.54 2vgg s SER 499 CO 0.76 -1.69 1.67 0.00 1.20 0.00 0.00 173.24 175.18 2vgg h ALA 500 N 9.84 1.19 -0.28 5.45 0.00 -1.95 -0.01 119.26 133.50 2vgg h ALA 500 Ca -0.28 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2vgg h ALA 500 Cb 1.06 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2vgg h ALA 500 CO 1.24 -0.40 0.08 0.37 0.00 0.00 0.00 179.25 180.54 2vgg h GLN 501 N 0.26 0.45 0.03 0.00 4.15 -1.99 -2.31 115.11 115.70 2vgg h GLN 501 Ca 0.51 -0.10 0.02 0.00 0.77 0.00 0.00 58.65 59.84 2vgg h GLN 501 Cb 0.96 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 2vgg h GLN 501 CO -0.59 0.52 -0.16 0.00 -1.93 0.00 0.00 178.83 176.67 2vgg h ALA 502 N 0.91 -0.22 -0.29 3.38 0.00 -1.60 0.18 119.26 121.61 2vgg h ALA 502 Ca 0.09 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.08 2vgg h ALA 502 Cb 0.27 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2vgg h ALA 502 CO -0.00 -0.67 0.57 0.00 0.00 0.00 0.00 179.25 179.15 2vgg h ALA 503 N 0.62 1.92 0.00 0.00 0.00 -0.74 0.08 119.26 121.14 2vgg h ALA 503 Ca 0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2vgg h ALA 503 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2vgg h ALA 503 CO -0.14 -0.72 -0.58 0.00 0.00 0.00 0.00 179.25 177.81 2vgg h ARG 504 N 0.00 0.00 0.00 0.00 3.08 -0.25 -3.38 114.38 113.83 2vgg h ARG 504 Ca 0.14 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2vgg h ARG 504 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 2vgg h ARG 504 CO -0.00 0.85 -0.11 1.96 -1.07 0.00 0.00 179.97 181.60 2vgg h GLN 505 N -1.00 0.00 0.00 0.04 4.20 0.11 -2.31 115.11 116.15 2vgg h GLN 505 Ca -0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2vgg h GLN 505 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 2vgg h GLN 505 CO -0.09 0.11 -0.04 0.28 -0.67 0.00 0.00 178.83 178.42 2vgg h VAL 506 N 0.00 0.61 0.00 -0.54 2.07 -1.39 -1.77 116.25 115.23 2vgg h VAL 506 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2vgg h VAL 506 Cb 0.30 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2vgg h VAL 506 CO 0.01 0.04 0.31 0.45 0.02 0.00 0.00 177.57 178.40 2vgg h HIS 507 N 0.00 0.00 0.00 1.57 3.86 -1.64 0.74 115.15 119.68 2vgg h HIS 507 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2vgg h HIS 507 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2vgg h HIS 507 CO 0.00 0.00 0.00 -0.11 0.86 0.00 0.00 177.93 178.68 2vgg n LEU 508 N -2.57 0.00 -4.08 2.43 7.94 -0.67 -4.53 117.00 115.51 2vgg n LEU 508 Ca -0.02 0.17 -0.32 0.00 -1.11 0.00 0.00 56.01 54.74 2vgg n LEU 508 Cb 0.35 -0.17 -0.15 0.00 0.53 0.00 0.00 43.42 43.97 2vgg n LEU 508 CO 0.11 -0.09 -0.47 0.00 -1.11 0.00 0.00 177.39 175.82 2vgg n ARG 510 N 4.48 0.41 -0.79 0.00 0.63 -1.26 -1.70 116.66 118.43 2vgg n ARG 510 Ca -0.15 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2vgg n ARG 510 Cb 0.44 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.06 2vgg n ARG 510 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2vgg n GLY 511 N 1.83 0.51 3.84 5.14 0.00 -0.74 -4.75 105.19 111.03 2vgg n GLY 511 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2vgg n GLY 511 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vgg s VAL 512 N -2.50 4.87 -0.21 1.61 1.01 -0.69 -1.41 120.40 123.07 2vgg s VAL 512 Ca 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 61.98 62.79 2vgg s VAL 512 Cb 0.00 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.70 2vgg s VAL 512 CO 0.00 0.27 0.03 -0.36 0.00 0.00 0.00 175.10 175.04 2vgg s PHE 513 N -1.43 1.26 0.27 5.22 0.40 0.48 -4.85 117.98 119.33 2vgg s PHE 513 Ca 0.37 -1.05 -0.20 0.00 -0.60 0.00 0.00 56.93 55.45 2vgg s PHE 513 Cb -0.15 -1.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.14 2vgg s PHE 513 CO 0.19 -0.65 0.77 -1.25 0.70 0.00 0.00 175.22 174.98 2vgg s PRO 514 N 1.78 4.24 -0.12 0.24 0.05 -1.26 -1.93 135.00 138.00 2vgg s PRO 514 Ca -0.01 0.90 0.00 0.00 0.05 0.00 0.00 61.00 61.94 2vgg s PRO 514 Cb -0.17 -2.73 0.02 0.00 0.05 0.00 0.00 34.50 31.67 2vgg s PRO 514 CO -0.09 0.30 -0.10 -0.51 0.05 0.00 0.00 177.00 176.65 2vgg s LEU 515 N -2.28 1.37 -0.17 -3.56 1.43 -0.07 -4.79 118.68 110.61 2vgg s LEU 515 Ca 0.48 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.98 2vgg s LEU 515 Cb -0.15 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.13 2vgg s LEU 515 CO 0.20 -0.08 0.80 -0.22 0.23 0.00 0.00 176.35 177.28 2vgg s LEU 516 N 1.51 4.17 -0.23 1.79 2.96 -1.26 -1.64 118.68 125.98 2vgg s LEU 516 Ca 0.02 1.13 -0.10 0.00 -0.22 0.00 0.00 54.13 54.97 2vgg s LEU 516 Cb -0.13 -3.18 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 2vgg s LEU 516 CO -0.07 -0.37 0.13 -0.47 -1.32 0.00 0.00 176.35 174.25 2vgg s TYR 517 N 2.08 3.26 -0.22 5.38 5.04 0.32 -4.94 117.35 128.27 2vgg s TYR 517 Ca 0.37 0.10 0.08 0.00 -2.44 0.00 0.00 57.07 55.18 2vgg s TYR 517 Cb -0.16 -2.24 -0.19 0.00 0.35 0.00 0.00 41.96 39.71 2vgg s TYR 517 CO 0.12 0.00 -0.10 0.54 -1.34 0.00 0.00 175.55 174.78 2vgg n ARG 518 N 4.32 0.71 -1.43 4.97 1.74 -1.26 -4.38 116.66 121.33 2vgg n ARG 518 Ca -0.15 0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.62 2vgg n ARG 518 Cb 0.52 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2vgg n ARG 518 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2vgg n GLU 519 N -3.01 0.41 -2.45 5.56 -0.58 -1.26 -4.97 120.64 114.34 2vgg n GLU 519 Ca -0.39 0.16 -0.33 0.00 -0.42 0.00 0.00 57.16 56.18 2vgg n GLU 519 Cb 1.04 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 30.31 2vgg n GLU 519 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2vgg s PRO 520 N -1.87 3.78 0.56 3.49 0.05 -1.26 -5.00 135.00 134.75 2vgg s PRO 520 Ca 0.67 1.22 -0.21 0.00 0.05 0.00 0.00 61.00 62.73 2vgg s PRO 520 Cb -0.46 -2.10 -0.05 0.00 0.05 0.00 0.00 34.50 31.94 2vgg s PRO 520 CO 0.56 -0.43 1.21 -2.30 0.05 0.00 0.00 177.00 176.09 2vgg n PRO 521 N -1.25 1.38 -1.68 0.56 -0.02 -1.26 -5.00 135.00 127.72 2vgg n PRO 521 Ca 0.08 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 2vgg n PRO 521 Cb 0.53 -2.41 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 2vgg n PRO 521 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2vgg s GLU 522 N -2.82 2.37 0.00 -0.52 0.41 -1.26 -5.01 118.70 111.88 2vgg s GLU 522 Ca 0.73 0.57 -0.24 0.00 -0.41 0.00 0.00 54.97 55.62 2vgg s GLU 522 Cb -0.43 -1.96 -0.14 0.00 -1.78 0.00 0.00 34.13 29.83 2vgg s GLU 522 CO 0.48 -1.40 1.02 0.00 -0.49 0.00 0.00 175.26 174.87 2vgg h ALA 523 N -0.93 -0.81 -2.34 5.21 0.00 -2.00 -3.43 119.26 114.97 2vgg h ALA 523 Ca -0.46 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 53.71 2vgg h ALA 523 Cb 1.26 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2vgg h ALA 523 CO 0.61 -0.77 0.72 0.42 0.00 0.00 0.00 179.25 180.23 2vgg s ILE 524 N -4.39 4.11 0.00 0.00 1.01 -1.26 -5.00 121.20 115.67 2vgg s ILE 524 Ca -0.13 1.46 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2vgg s ILE 524 Cb 0.01 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.55 2vgg s ILE 524 CO 0.40 0.01 0.00 1.87 0.00 0.00 0.00 174.94 177.21 2vgg n TRP 525 N 5.16 0.00 0.00 3.97 -0.00 -1.26 -2.90 117.44 122.41 2vgg n TRP 525 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 2vgg n TRP 525 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.77 2vgg n TRP 525 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2vgg n ALA 526 N -3.00 0.00 -0.32 5.87 0.00 -1.26 0.55 120.51 122.35 2vgg n ALA 526 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2vgg n ALA 526 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 2vgg n ALA 526 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2vgg h ASP 527 N 0.00 0.46 -0.44 0.00 3.32 -1.97 0.53 116.42 118.32 2vgg h ASP 527 Ca 0.00 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2vgg h ASP 527 Cb 0.00 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2vgg h ASP 527 CO 0.00 0.01 0.26 -0.78 -1.72 0.00 0.00 179.24 177.01 2vgg h ASP 528 N 0.44 0.53 0.35 6.45 3.58 1.44 0.15 116.42 129.37 2vgg h ASP 528 Ca 0.61 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.99 2vgg h ASP 528 Cb 1.21 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.10 2vgg h ASP 528 CO -0.53 0.44 -0.39 0.58 -2.88 0.00 0.00 179.24 176.46 2vgg h VAL 529 N 0.58 0.00 -0.98 2.25 2.07 -0.39 -1.94 116.25 117.84 2vgg h VAL 529 Ca 0.16 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.91 2vgg h VAL 529 Cb 0.01 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.66 2vgg h VAL 529 CO -0.03 0.00 0.55 0.44 0.02 0.00 0.00 177.57 178.55 2vgg h ASP 530 N -0.76 0.60 -0.61 0.57 3.32 0.21 0.24 116.42 120.00 2vgg h ASP 530 Ca -0.04 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 2vgg h ASP 530 Cb 0.67 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 2vgg h ASP 530 CO -0.07 0.09 0.29 0.03 -1.72 0.00 0.00 179.24 177.86 2vgg h ARG 531 N 0.54 0.88 -0.07 3.56 2.47 -0.44 -1.06 114.38 120.26 2vgg h ARG 531 Ca 0.62 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 59.20 2vgg h ARG 531 Cb 1.17 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2vgg h ARG 531 CO -0.48 0.71 0.01 0.00 0.56 0.00 0.00 179.97 180.77 2vgg h ARG 532 N 0.84 0.12 0.14 0.04 3.08 0.22 0.41 114.38 119.23 2vgg h ARG 532 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2vgg h ARG 532 Cb 0.12 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2vgg h ARG 532 CO -0.03 0.34 -0.31 0.28 -1.07 0.00 0.00 179.97 179.19 2vgg h VAL 533 N -0.11 0.00 -1.03 2.04 2.07 -1.15 0.96 116.25 119.03 2vgg h VAL 533 Ca 0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.81 2vgg h VAL 533 Cb 0.28 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.93 2vgg h VAL 533 CO 0.00 0.00 0.62 1.56 0.02 0.00 0.00 177.57 179.77 2vgg h GLN 534 N -0.49 0.47 -0.31 1.57 7.50 -1.18 0.84 115.11 123.50 2vgg h GLN 534 Ca -0.01 -0.03 0.05 0.00 0.50 0.00 0.00 58.65 59.15 2vgg h GLN 534 Cb 0.47 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.85 2vgg h GLN 534 CO -0.13 0.31 0.06 0.35 -1.50 0.00 0.00 178.83 177.92 2vgg h PHE 535 N 0.48 0.10 -0.70 2.96 3.57 0.78 -0.66 116.94 123.48 2vgg h PHE 535 Ca 0.65 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 62.16 2vgg h PHE 535 Cb 1.41 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 2vgg h PHE 535 CO -0.01 0.02 0.40 0.78 -2.23 0.00 0.00 178.31 177.27 2vgg h GLY 536 N 0.17 1.03 0.87 2.40 0.00 0.31 -1.38 103.07 106.47 2vgg h GLY 536 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2vgg h GLY 536 CO -0.20 0.44 -0.10 -2.22 0.00 0.00 0.00 176.54 174.46 2vgg h ILE 537 N 0.96 0.76 0.39 2.60 2.04 -0.62 0.65 117.51 124.29 2vgg h ILE 537 Ca 0.25 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.09 2vgg h ILE 537 Cb 0.01 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2vgg h ILE 537 CO -0.04 0.00 -0.20 -0.08 0.00 0.00 0.00 178.15 177.83 2vgg h GLU 538 N -0.23 -0.52 -0.31 2.37 4.81 -0.88 0.28 114.58 120.09 2vgg h GLU 538 Ca 0.01 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2vgg h GLU 538 Cb 0.22 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2vgg h GLU 538 CO -0.03 -0.35 0.26 0.77 -0.73 0.00 0.00 179.01 178.93 2vgg h SER 539 N -0.54 0.00 0.21 1.04 0.02 -1.18 -1.05 113.55 112.06 2vgg h SER 539 Ca -0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2vgg h SER 539 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2vgg h SER 539 CO 0.07 0.00 -0.10 1.23 -1.14 0.00 0.00 176.83 176.89 2vgg h GLY 540 N 0.00 -0.30 0.97 -3.77 0.00 0.17 -1.89 103.07 98.25 2vgg h GLY 540 Ca 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2vgg h GLY 540 CO -0.00 -0.11 -0.18 0.50 0.00 0.00 0.00 176.54 176.75 2vgg h LYS 541 N -0.62 -0.48 -0.97 4.80 1.57 0.29 -1.21 116.57 119.95 2vgg h LYS 541 Ca -0.03 0.03 0.27 0.00 -1.87 0.00 0.00 60.65 59.05 2vgg h LYS 541 Cb 0.45 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 32.73 2vgg h LYS 541 CO 0.05 -0.30 0.51 1.25 -0.57 0.00 0.00 179.45 180.39 2vgg h LEU 542 N -0.54 0.47 -1.13 2.94 6.46 -1.26 0.19 115.31 122.44 2vgg h LEU 542 Ca -0.05 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2vgg h LEU 542 Cb 0.41 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2vgg h LEU 542 CO 0.08 -0.04 0.00 0.54 -0.62 0.00 0.00 178.44 178.41 2vgg n ARG 543 N -5.02 1.77 -2.73 1.25 1.74 -0.71 -4.94 116.66 108.02 2vgg n ARG 543 Ca 0.27 -1.13 -0.09 0.00 -0.77 0.00 0.00 57.85 56.14 2vgg n ARG 543 Cb 0.81 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.81 2vgg n ARG 543 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2vgg n GLY 544 N 1.20 0.32 0.12 -0.13 0.00 0.68 -4.95 105.19 102.43 2vgg n GLY 544 Ca 0.18 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 2vgg n GLY 544 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2vgg h PHE 545 N -0.77 0.45 -3.91 1.61 0.05 -1.45 -3.47 116.94 109.44 2vgg h PHE 545 Ca -0.20 -0.33 -0.26 0.00 3.82 0.00 0.00 57.97 61.00 2vgg h PHE 545 Cb 1.14 -0.02 -0.24 0.00 2.00 0.00 0.00 35.95 38.82 2vgg h PHE 545 CO 0.19 1.53 -0.73 -0.48 -0.18 0.00 0.00 178.31 178.64 2vgg s LEU 546 N -6.92 2.14 0.16 1.54 2.34 -1.21 -4.80 118.68 111.93 2vgg s LEU 546 Ca -0.14 -0.32 0.07 0.00 0.06 0.00 0.00 54.13 53.80 2vgg s LEU 546 Cb 0.07 -0.11 -0.04 0.00 -0.56 0.00 0.00 46.19 45.55 2vgg s LEU 546 CO 0.82 -0.12 -0.14 -0.13 -1.06 0.00 0.00 176.35 175.73 2vgg s ARG 547 N -0.87 1.18 0.29 1.48 1.81 -1.26 -4.04 118.95 117.54 2vgg s ARG 547 Ca -0.06 -1.44 -0.25 0.00 -1.72 0.00 0.00 55.73 52.25 2vgg s ARG 547 Cb -0.06 -0.98 -0.16 0.00 -0.45 0.00 0.00 34.95 33.30 2vgg s ARG 547 CO -0.00 0.17 0.39 0.28 -0.68 0.00 0.00 175.30 175.46 2vgg n VAL 548 N -0.01 1.50 0.00 3.52 0.31 -1.26 -1.63 118.33 120.76 2vgg n VAL 548 Ca -0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2vgg n VAL 548 Cb 0.59 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 2vgg n VAL 548 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2vgg n GLY 549 N 2.07 2.96 3.69 2.92 0.00 -1.26 -5.01 105.19 110.56 2vgg n GLY 549 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2vgg n GLY 549 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2vgg s ASP 550 N -0.07 3.37 0.13 1.61 1.11 -0.65 -4.67 116.67 117.50 2vgg s ASP 550 Ca 0.00 2.24 0.05 0.00 0.18 0.00 0.00 52.55 55.02 2vgg s ASP 550 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2vgg s ASP 550 CO 0.00 -2.81 0.10 -0.76 1.18 0.00 0.00 175.17 172.88 2vgg s LEU 551 N -6.12 3.75 0.05 1.23 1.43 -1.26 0.35 118.68 118.11 2vgg s LEU 551 Ca 0.69 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2vgg s LEU 551 Cb -0.25 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 2vgg s LEU 551 CO 0.54 0.11 -0.07 0.54 0.23 0.00 0.00 176.35 177.70 2vgg s VAL 552 N -1.60 0.48 -0.23 -1.59 0.11 0.18 -1.81 120.40 115.94 2vgg s VAL 552 Ca 0.30 -1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 58.11 2vgg s VAL 552 Cb -0.11 -0.72 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 2vgg s VAL 552 CO 0.22 -0.48 0.01 -0.63 -3.33 0.00 0.00 175.10 170.90 2vgg s ILE 553 N -1.75 3.89 -0.20 7.04 -1.09 -0.70 -1.65 121.20 126.74 2vgg s ILE 553 Ca -0.08 -0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 57.95 2vgg s ILE 553 Cb -0.08 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 2vgg s ILE 553 CO -0.01 0.39 0.05 -0.69 -1.23 0.00 0.00 174.94 173.45 2vgg s VAL 554 N 1.43 4.51 -0.13 2.92 1.01 -0.56 -1.21 120.40 128.37 2vgg s VAL 554 Ca 0.05 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2vgg s VAL 554 Cb -0.15 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 2vgg s VAL 554 CO 0.01 0.42 -0.18 -0.69 0.00 0.00 0.00 175.10 174.66 2vgg s VAL 555 N 0.77 2.46 0.07 2.92 1.01 -0.88 -0.97 120.40 125.78 2vgg s VAL 555 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2vgg s VAL 555 Cb -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.24 2vgg s VAL 555 CO 0.02 0.53 0.09 0.35 0.00 0.00 0.00 175.10 176.10 2vgg n THR 556 N 3.83 0.00 -4.45 3.92 -2.24 -0.90 -2.52 114.28 111.92 2vgg n THR 556 Ca -0.19 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 60.98 2vgg n THR 556 Cb 0.52 0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 2vgg n THR 556 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2vgg s GLY 557 N -1.44 1.84 0.36 3.38 0.00 -1.26 -0.82 107.32 109.37 2vgg s GLY 557 Ca 0.06 -1.89 0.19 0.00 0.00 0.00 0.00 44.72 43.09 2vgg s GLY 557 CO 0.04 -1.91 1.54 0.11 0.00 0.00 0.00 173.10 172.89 2vgg h TRP 558 N 2.28 0.00 -3.94 1.90 5.08 -1.91 -3.47 115.95 115.90 2vgg h TRP 558 Ca -0.40 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.46 2vgg h TRP 558 Cb 1.24 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.27 2vgg h TRP 558 CO 0.75 0.27 -0.40 -0.98 -1.28 0.00 0.00 178.44 176.80 2vgg s ARG 559 N -3.12 0.98 0.68 0.12 1.04 -1.26 -5.07 118.95 112.32 2vgg s ARG 559 Ca 0.05 -1.12 -0.13 0.00 -1.04 0.00 0.00 55.73 53.49 2vgg s ARG 559 Cb 0.07 0.34 0.01 0.00 -2.04 0.00 0.00 34.95 33.32 2vgg s ARG 559 CO 0.70 -0.32 1.08 -2.14 -0.04 0.00 0.00 175.30 174.58 2vgg s PRO 560 N -3.93 2.84 0.00 3.89 0.02 -1.26 -4.88 135.00 131.68 2vgg s PRO 560 Ca 0.12 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.31 2vgg s PRO 560 Cb 0.05 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2vgg s PRO 560 CO -0.05 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 175.84 2vgg n GLY 561 N -1.22 1.16 3.97 0.52 0.00 -1.26 -5.01 105.19 103.35 2vgg n GLY 561 Ca 0.09 -2.23 -0.21 0.00 0.00 0.00 0.00 46.02 43.67 2vgg n GLY 561 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vgg s SER 562 N 0.00 5.94 -0.08 1.61 1.04 -1.26 -4.58 113.70 116.37 2vgg s SER 562 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2vgg s SER 562 Cb 0.00 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.73 2vgg s SER 562 CO 0.00 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.32 2vgg n GLY 563 N -1.80 0.48 0.08 7.32 0.00 -1.26 -4.89 105.19 105.12 2vgg n GLY 563 Ca -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.78 2vgg n GLY 563 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2vgg n TYR 564 N -2.89 0.00 -1.66 1.61 4.02 -1.26 -4.93 117.16 112.05 2vgg n TYR 564 Ca -0.01 -0.61 -0.49 0.00 -0.01 0.00 0.00 57.90 56.78 2vgg n TYR 564 Cb 0.07 -0.09 -0.05 0.00 -0.02 0.00 0.00 39.34 39.25 2vgg n TYR 564 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2vgg n THR 565 N -0.80 0.18 -1.90 -0.72 -1.04 -1.26 -3.20 114.28 105.54 2vgg n THR 565 Ca 0.07 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.05 62.00 2vgg n THR 565 Cb 0.48 -1.44 -0.04 0.00 -1.82 0.00 0.00 70.33 67.51 2vgg n THR 565 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2vgg n ASN 566 N 4.27 -0.59 -3.85 8.00 6.94 -0.00 -3.98 115.26 126.05 2vgg n ASN 566 Ca 0.20 -1.43 -0.12 0.00 -0.02 0.00 0.00 54.58 53.21 2vgg n ASN 566 Cb 0.25 0.18 -0.11 0.00 -2.36 0.00 0.00 39.78 37.73 2vgg n ASN 566 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2vgg s ILE 567 N 0.00 0.04 -0.05 1.53 1.01 -0.89 -4.94 121.20 117.90 2vgg s ILE 567 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2vgg s ILE 567 Cb 0.00 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.19 2vgg s ILE 567 CO 0.00 -0.18 -0.04 -0.32 0.00 0.00 0.00 174.94 174.40 2vgg s MET 568 N -0.58 0.84 0.17 2.79 1.75 -1.26 -2.12 119.30 120.88 2vgg s MET 568 Ca -0.07 -0.08 0.10 0.00 -1.25 0.00 0.00 55.69 54.39 2vgg s MET 568 Cb -0.04 -0.91 -0.04 0.00 2.84 0.00 0.00 34.83 36.67 2vgg s MET 568 CO 0.01 -0.13 -0.22 1.03 -0.65 0.00 0.00 175.02 175.06 2vgg s ARG 569 N 1.14 1.37 -0.24 4.11 0.52 -0.14 -4.97 118.95 120.75 2vgg s ARG 569 Ca -0.07 -1.43 -0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2vgg s ARG 569 Cb -0.14 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.74 2vgg s ARG 569 CO -0.01 0.34 -0.04 0.08 0.02 0.00 0.00 175.30 175.69 2vgg s VAL 570 N -1.73 3.16 0.08 3.52 1.01 -1.26 -1.50 120.40 123.68 2vgg s VAL 570 Ca 0.17 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2vgg s VAL 570 Cb -0.07 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2vgg s VAL 570 CO 0.08 0.28 -0.23 -0.76 0.00 0.00 0.00 175.10 174.47 2vgg s LEU 571 N 1.40 2.23 -0.11 3.92 1.43 -0.66 -4.99 118.68 121.91 2vgg s LEU 571 Ca 0.03 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.44 2vgg s LEU 571 Cb -0.16 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 2vgg s LEU 571 CO -0.04 0.15 0.14 -0.94 0.23 0.00 0.00 176.35 175.90 2vgg s SER 572 N -1.55 6.38 0.00 2.29 1.04 -1.26 0.52 113.70 121.12 2vgg s SER 572 Ca 0.09 0.45 0.28 0.00 0.48 0.00 0.00 55.95 57.25 2vgg s SER 572 Cb -0.10 -2.06 0.95 0.00 0.10 0.00 0.00 66.02 64.91 2vgg s SER 572 CO 0.03 0.39 1.69 -0.38 0.98 0.00 0.00 173.24 175.95