#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwy s PRO 71 N 0.00 4.35 0.24 -1.08 0.04 -1.26 -4.83 135.00 132.46 3jwy s PRO 71 Ca 0.00 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 3jwy s PRO 71 Cb 0.00 -3.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 3jwy s PRO 71 CO 0.00 -0.40 1.20 0.50 0.04 0.00 0.00 177.00 178.34 3jwy s ARG 72 N 1.18 4.51 -0.18 4.56 3.52 -1.26 -1.82 118.95 129.46 3jwy s ARG 72 Ca 0.63 1.93 -0.02 0.00 -0.13 0.00 0.00 55.73 58.14 3jwy s ARG 72 Cb -0.34 -3.19 0.05 0.00 -1.56 0.00 0.00 34.95 29.91 3jwy s ARG 72 CO 0.30 -0.02 0.01 0.08 -0.81 0.00 0.00 175.30 174.86 3jwy s VAL 73 N -0.58 0.65 -0.08 7.11 1.01 0.73 -4.97 120.40 124.27 3jwy s VAL 73 Ca 0.50 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3jwy s VAL 73 Cb -0.34 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3jwy s VAL 73 CO 0.41 -0.11 -0.02 -0.75 0.00 0.00 0.00 175.10 174.64 3jwy s LYS 74 N 1.81 2.92 -0.18 2.72 2.20 -1.26 -1.12 119.74 126.83 3jwy s LYS 74 Ca -0.00 -0.45 -0.16 0.00 -0.36 0.00 0.00 55.97 54.99 3jwy s LYS 74 Cb -0.16 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 3jwy s LYS 74 CO -0.07 0.69 0.42 1.21 -0.36 0.00 0.00 175.35 177.23 3jwy s ASN 75 N -0.89 6.51 0.13 1.43 3.84 -0.25 -1.76 114.94 123.95 3jwy s ASN 75 Ca 0.13 0.60 0.24 0.00 0.21 0.00 0.00 52.86 54.04 3jwy s ASN 75 Cb -0.11 -2.24 0.34 0.00 -0.55 0.00 0.00 41.25 38.68 3jwy s ASN 75 CO 0.02 -0.05 1.33 -0.50 -2.79 0.00 0.00 177.10 175.11 3jwy h TRP 76 N 7.15 0.00 0.02 0.43 4.06 -0.57 0.14 115.95 127.18 3jwy h TRP 76 Ca -0.37 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.33 3jwy h TRP 76 Cb 1.16 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.34 3jwy h TRP 76 CO 0.66 0.00 -1.01 1.49 -3.56 0.00 0.00 178.44 176.01 3jwy h GLU 77 N 0.00 0.52 0.00 0.49 4.81 -1.95 -3.39 114.58 115.06 3jwy h GLU 77 Ca 0.00 -0.58 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3jwy h GLU 77 Cb 0.77 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3jwy h GLU 77 CO 0.00 1.21 -1.19 1.28 -0.73 0.00 0.00 179.01 179.57 3jwy n LEU 78 N -3.77 0.07 0.00 1.64 4.77 -1.23 -5.01 117.00 113.46 3jwy n LEU 78 Ca -0.09 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3jwy n LEU 78 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3jwy n LEU 78 CO 0.53 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3jwy n GLY 79 N 1.88 0.57 3.87 -0.72 0.00 0.03 -5.04 105.19 105.79 3jwy n GLY 79 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3jwy n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwy s SER 80 N -2.06 6.61 -0.02 1.61 1.04 -1.22 -4.86 113.70 114.80 3jwy s SER 80 Ca 0.00 1.17 0.04 0.00 0.48 0.00 0.00 55.95 57.64 3jwy s SER 80 Cb 0.00 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 3jwy s SER 80 CO 0.00 -0.32 -0.12 -0.63 0.98 0.00 0.00 173.24 173.14 3jwy s ILE 81 N -2.22 1.01 0.32 -1.02 1.01 -1.26 -1.09 121.20 117.94 3jwy s ILE 81 Ca 0.52 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.68 3jwy s ILE 81 Cb -0.10 -0.86 -0.06 0.00 0.01 0.00 0.00 42.46 41.45 3jwy s ILE 81 CO 0.26 0.29 0.07 0.42 0.00 0.00 0.00 174.94 175.98 3jwy s THR 82 N -0.14 1.04 -0.11 2.92 -4.23 -0.27 -4.97 115.64 109.88 3jwy s THR 82 Ca 0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 3jwy s THR 82 Cb -0.07 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 71.05 3jwy s THR 82 CO 0.00 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.58 3jwy s TYR 83 N -3.37 2.29 -0.35 3.99 1.51 -1.26 -0.19 117.35 119.97 3jwy s TYR 83 Ca 0.36 -1.04 -0.24 0.00 -1.01 0.00 0.00 57.07 55.14 3jwy s TYR 83 Cb 0.08 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 3jwy s TYR 83 CO 0.15 -0.48 0.81 0.34 -1.11 0.00 0.00 175.55 175.27 3jwy s ASP 84 N 0.71 6.60 -0.02 2.29 -1.08 -0.76 -4.75 116.67 119.66 3jwy s ASP 84 Ca -0.11 0.46 0.16 0.00 -0.52 0.00 0.00 52.55 52.53 3jwy s ASP 84 Cb -0.16 -2.41 -0.24 0.00 -1.46 0.00 0.00 42.92 38.65 3jwy s ASP 84 CO 0.02 -0.73 0.35 0.35 0.52 0.00 0.00 175.17 175.68 3jwy n THR 85 N 5.78 0.00 -0.27 1.71 -2.24 -0.50 -4.01 114.28 114.74 3jwy n THR 85 Ca 0.04 -0.35 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3jwy n THR 85 Cb 0.48 0.17 0.25 0.00 -2.10 0.00 0.00 70.33 69.13 3jwy n THR 85 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jwy h LEU 86 N 0.00 0.88 -1.97 3.22 5.85 -1.69 -2.66 115.31 118.94 3jwy h LEU 86 Ca 0.00 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3jwy h LEU 86 Cb 0.70 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3jwy h LEU 86 CO 0.00 0.58 0.39 0.00 -0.34 0.00 0.00 178.44 179.08 3jwy h ALA 88 N 1.40 1.06 0.00 0.00 0.00 -1.79 -2.35 119.26 117.57 3jwy h ALA 88 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jwy h ALA 88 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3jwy h ALA 88 CO -0.00 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.32 3jwy n GLN 89 N -3.20 0.64 -2.28 0.00 3.00 0.46 -4.87 117.38 111.14 3jwy n GLN 89 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3jwy n GLN 89 Cb 0.20 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.91 3jwy n GLN 89 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3jwy s SER 90 N -2.36 6.92 0.00 1.08 0.15 -0.89 -4.90 113.70 113.70 3jwy s SER 90 Ca 0.36 2.12 0.12 0.00 0.70 0.00 0.00 55.95 59.24 3jwy s SER 90 Cb 0.21 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.83 3jwy s SER 90 CO 0.42 -0.63 0.54 0.00 1.20 0.00 0.00 173.24 174.77 3jwy n GLN 91 N 4.64 2.88 -4.52 5.44 1.13 -1.26 -4.98 117.38 120.71 3jwy n GLN 91 Ca 0.11 -0.10 -0.33 0.00 -1.94 0.00 0.00 57.00 54.75 3jwy n GLN 91 Cb 0.44 -1.08 -0.16 0.00 0.11 0.00 0.00 30.24 29.56 3jwy n GLN 91 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3jwy s GLN 92 N -2.06 3.16 0.30 -1.09 -0.44 -1.26 -5.11 119.66 113.16 3jwy s GLN 92 Ca 0.05 -0.77 -0.29 0.00 -2.50 0.00 0.00 55.36 51.85 3jwy s GLN 92 Cb 0.09 -2.59 -0.10 0.00 -1.64 0.00 0.00 33.01 28.77 3jwy s GLN 92 CO 0.47 -0.01 1.24 -0.51 0.50 0.00 0.00 175.29 176.98 3jwy s ASP 93 N 0.86 6.96 0.23 6.67 1.01 -1.26 -4.31 116.67 126.82 3jwy s ASP 93 Ca -0.05 2.51 0.00 0.00 0.71 0.00 0.00 52.55 55.72 3jwy s ASP 93 Cb -0.15 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.14 3jwy s ASP 93 CO -0.01 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.58 3jwy n GLY 94 N 1.13 0.70 0.17 0.21 0.00 -1.26 -5.01 105.19 101.12 3jwy n GLY 94 Ca 0.00 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.24 3jwy n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jwy n PRO 95 N -0.54 0.53 -2.82 1.61 -0.04 -1.26 -4.94 135.00 127.54 3jwy n PRO 95 Ca 0.00 -0.33 -0.31 0.00 -0.04 0.00 0.00 63.50 62.82 3jwy n PRO 95 Cb 0.00 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 3jwy n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jwy s THR 97 N -2.34 0.49 0.49 0.00 -4.23 -0.81 -4.99 115.64 104.25 3jwy s THR 97 Ca 0.54 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.20 3jwy s THR 97 Cb -0.10 -2.59 0.30 0.00 1.34 0.00 0.00 72.50 71.45 3jwy s THR 97 CO 0.28 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.79 3jwy h PRO 98 N 2.31 0.18 -0.44 3.99 0.11 -2.04 -2.89 132.00 133.21 3jwy h PRO 98 Ca -0.37 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 3jwy h PRO 98 Cb 1.25 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3jwy h PRO 98 CO 0.58 0.12 -0.24 -0.09 -0.21 0.00 0.00 178.00 178.15 3jwy h ARG 99 N 0.18 0.92 -2.48 1.05 2.43 -2.02 -3.46 114.38 110.99 3jwy h ARG 99 Ca 0.12 -0.40 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 3jwy h ARG 99 Cb 0.25 -0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 29.54 3jwy h ARG 99 CO -0.02 1.05 -0.12 -0.98 -1.51 0.00 0.00 179.97 178.39 3jwy s ARG 100 N -4.61 0.59 -0.09 0.20 3.03 -1.09 -5.14 118.95 111.84 3jwy s ARG 100 Ca -0.11 0.74 -0.25 0.00 2.03 0.00 0.00 55.73 58.15 3jwy s ARG 100 Cb 0.12 0.26 -0.03 0.00 -1.03 0.00 0.00 34.95 34.27 3jwy s ARG 100 CO 0.86 -0.08 0.76 0.00 -1.13 0.00 0.00 175.30 175.71 3jwy n LEU 102 N 4.17 3.14 0.30 0.00 4.32 -1.26 -4.80 117.00 122.87 3jwy n LEU 102 Ca 0.01 -3.45 0.17 0.00 -0.02 0.00 0.00 56.01 52.72 3jwy n LEU 102 Cb 0.51 -0.53 0.97 0.00 -1.62 0.00 0.00 43.42 42.75 3jwy n LEU 102 CO 0.48 1.01 1.13 1.23 -1.22 0.00 0.00 177.39 180.02 3jwy h GLY 103 N 0.83 0.00 1.25 -0.72 0.00 -1.93 -1.97 103.07 100.53 3jwy h GLY 103 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3jwy h GLY 103 CO 0.13 0.00 -0.04 -1.14 0.00 0.00 0.00 176.54 175.49 3jwy n SER 104 N -3.67 0.19 -4.74 0.19 3.41 -1.26 -4.86 113.62 102.87 3jwy n SER 104 Ca -0.03 -0.40 -0.41 0.00 -0.26 0.00 0.00 58.87 57.77 3jwy n SER 104 Cb 0.09 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 3jwy n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3jwy s LEU 105 N -2.48 4.48 0.04 1.04 1.43 -0.74 -4.96 118.68 117.49 3jwy s LEU 105 Ca 0.31 2.15 -0.19 0.00 -1.03 0.00 0.00 54.13 55.37 3jwy s LEU 105 Cb 0.20 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.66 3jwy s LEU 105 CO 0.46 -0.27 1.28 0.58 0.23 0.00 0.00 176.35 178.63 3jwy h VAL 106 N 3.70 1.36 -3.91 -1.59 2.07 -1.90 -3.46 116.25 112.53 3jwy h VAL 106 Ca -0.45 -1.59 -0.69 0.00 0.82 0.00 0.00 66.70 64.79 3jwy h VAL 106 Cb 1.21 2.03 -0.22 0.00 -1.52 0.00 0.00 31.29 32.80 3jwy h VAL 106 CO 0.73 0.48 -0.85 -0.76 0.02 0.00 0.00 177.57 177.18 3jwy s LEU 107 N -8.82 2.40 0.22 2.57 1.43 -1.26 -5.11 118.68 110.10 3jwy s LEU 107 Ca -0.13 -0.69 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 3jwy s LEU 107 Cb 0.06 -1.30 -0.10 0.00 0.03 0.00 0.00 46.19 44.87 3jwy s LEU 107 CO 0.79 0.19 1.51 -2.84 0.23 0.00 0.00 176.35 176.23 3jwy s PRO 108 N -1.99 4.23 0.59 1.29 0.02 -1.26 -5.13 135.00 132.75 3jwy s PRO 108 Ca 0.15 2.36 0.28 0.00 0.02 0.00 0.00 61.00 63.81 3jwy s PRO 108 Cb -0.10 -3.12 1.67 0.00 0.02 0.00 0.00 34.50 32.98 3jwy s PRO 108 CO 0.07 -0.52 2.13 -0.09 -0.33 0.00 0.00 177.00 178.26 3jwy h ARG 109 N 5.69 0.00 0.00 5.54 9.65 -2.00 -3.54 114.38 129.72 3jwy h ARG 109 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3jwy h ARG 109 Cb 1.21 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3jwy h ARG 109 CO 0.83 0.00 0.00 -0.35 2.80 0.00 0.00 179.97 183.25 3jwy n PRO 121 N -3.85 0.00 -0.34 0.20 -0.05 -1.26 -5.28 135.00 124.43 3jwy n PRO 121 Ca 0.01 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.50 3jwy n PRO 121 Cb 0.27 0.00 0.20 0.00 -0.05 0.00 0.00 33.50 33.92 3jwy n PRO 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3jwy h ALA 122 N 0.00 1.36 -0.80 0.55 0.00 -1.97 -2.26 119.26 116.14 3jwy h ALA 122 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.99 3jwy h ALA 122 Cb 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.53 3jwy h ALA 122 CO 0.00 0.23 0.48 0.93 0.00 0.00 0.00 179.25 180.88 3jwy h GLU 123 N 0.96 0.83 0.01 0.00 4.39 -2.01 0.15 114.58 118.91 3jwy h GLU 123 Ca 0.44 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 60.09 3jwy h GLU 123 Cb 0.37 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3jwy h GLU 123 CO -0.24 0.55 -0.00 0.37 -1.16 0.00 0.00 179.01 178.53 3jwy h GLN 124 N 0.86 -0.01 -0.84 2.33 5.75 -1.87 -2.81 115.11 118.52 3jwy h GLN 124 Ca 0.36 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3jwy h GLN 124 Cb 0.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 3jwy h GLN 124 CO -0.19 0.43 0.54 1.25 -2.65 0.00 0.00 178.83 178.21 3jwy h LEU 125 N -0.45 0.98 -0.74 -2.39 5.85 -1.26 -2.69 115.31 114.62 3jwy h LEU 125 Ca -0.00 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.71 3jwy h LEU 125 Cb 0.44 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3jwy h LEU 125 CO 0.00 0.73 0.46 0.25 -0.34 0.00 0.00 178.44 179.54 3jwy h LEU 126 N 1.15 0.75 -0.35 2.25 5.85 -0.72 0.57 115.31 124.81 3jwy h LEU 126 Ca 0.31 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.84 3jwy h LEU 126 Cb -0.10 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 3jwy h LEU 126 CO -0.06 0.51 -0.72 0.77 -0.34 0.00 0.00 178.44 178.60 3jwy h SER 127 N 0.89 0.62 -0.63 1.25 4.64 -1.32 -0.56 113.55 118.45 3jwy h SER 127 Ca 0.30 -0.40 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 3jwy h SER 127 Cb 0.04 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 3jwy h SER 127 CO -0.12 1.15 0.22 1.56 -0.87 0.00 0.00 176.83 178.77 3jwy h GLN 128 N 0.37 0.96 0.05 4.77 4.20 -1.25 -1.42 115.11 122.78 3jwy h GLN 128 Ca -0.03 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 3jwy h GLN 128 Cb 1.31 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3jwy h GLN 128 CO 0.13 0.83 -0.02 0.00 -0.67 0.00 0.00 178.83 179.10 3jwy h ALA 129 N 1.08 -0.07 0.21 3.87 0.00 -0.74 -1.29 119.26 122.32 3jwy h ALA 129 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3jwy h ALA 129 Cb 0.26 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3jwy h ALA 129 CO -0.01 -0.47 -0.39 0.00 0.00 0.00 0.00 179.25 178.37 3jwy h ARG 130 N -0.20 -0.66 -0.84 0.00 3.08 -1.09 -0.02 114.38 114.64 3jwy h ARG 130 Ca -0.01 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.28 3jwy h ARG 130 Cb 0.18 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.26 3jwy h ARG 130 CO 0.01 -0.44 0.32 0.22 -1.07 0.00 0.00 179.97 179.01 3jwy h ASP 131 N -0.69 0.23 -0.35 7.04 3.58 -1.23 0.21 116.42 125.22 3jwy h ASP 131 Ca 0.00 0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 3jwy h ASP 131 Cb 0.68 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 3jwy h ASP 131 CO -0.17 -0.00 -0.44 0.15 -2.88 0.00 0.00 179.24 175.89 3jwy h PHE 132 N 0.37 1.11 -0.55 0.28 3.57 -0.63 -1.43 116.94 119.65 3jwy h PHE 132 Ca 0.50 -0.36 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3jwy h PHE 132 Cb 0.91 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3jwy h PHE 132 CO -0.18 1.19 -0.01 0.82 -2.23 0.00 0.00 178.31 177.90 3jwy h ILE 133 N 0.72 1.26 -0.83 1.41 1.08 -0.03 -0.85 117.51 120.26 3jwy h ILE 133 Ca 0.04 -1.12 0.09 0.00 -0.39 0.00 0.00 64.86 63.48 3jwy h ILE 133 Cb 1.04 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.57 3jwy h ILE 133 CO 0.10 0.40 0.49 0.78 -0.69 0.00 0.00 178.15 179.23 3jwy h ASN 134 N 0.88 0.72 -0.51 1.72 2.35 -0.47 -1.32 115.58 118.96 3jwy h ASN 134 Ca 0.16 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3jwy h ASN 134 Cb 0.53 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 3jwy h ASN 134 CO 0.03 0.43 0.18 1.56 -1.65 0.00 0.00 177.43 177.97 3jwy h GLN 135 N 0.84 0.78 -0.25 0.81 4.20 -0.57 -1.61 115.11 119.32 3jwy h GLN 135 Ca 0.39 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 3jwy h GLN 135 Cb 0.31 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3jwy h GLN 135 CO -0.23 0.71 0.08 -0.92 -0.67 0.00 0.00 178.83 177.80 3jwy h TYR 136 N 0.69 0.40 0.00 2.96 3.20 -0.56 -0.41 116.97 123.25 3jwy h TYR 136 Ca 0.17 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 3jwy h TYR 136 Cb 0.24 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3jwy h TYR 136 CO 0.01 0.44 -0.45 1.88 -1.64 0.00 0.00 178.16 178.41 3jwy h TYR 137 N 0.23 0.00 -0.53 -3.82 -1.99 -1.26 -2.53 116.97 107.07 3jwy h TYR 137 Ca 0.08 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.70 3jwy h TYR 137 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 3jwy h TYR 137 CO 0.00 0.45 -0.11 1.03 -0.00 0.00 0.00 178.16 179.53 3jwy h SER 138 N 0.00 1.03 -0.89 3.88 0.87 -1.12 0.13 113.55 117.44 3jwy h SER 138 Ca -0.00 -0.35 0.03 0.00 -1.23 0.00 0.00 61.79 60.23 3jwy h SER 138 Cb 1.03 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.67 3jwy h SER 138 CO 0.06 1.14 0.59 0.77 -0.53 0.00 0.00 176.83 178.86 3jwy h SER 139 N 0.90 0.98 -0.48 6.23 4.64 -0.66 -2.32 113.55 122.84 3jwy h SER 139 Ca 0.14 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3jwy h SER 139 Cb 0.68 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3jwy h SER 139 CO 0.05 0.69 0.00 2.30 -0.87 0.00 0.00 176.83 179.00 3jwy n ILE 140 N -4.43 1.16 -2.29 0.95 -5.35 -1.03 -4.91 119.36 103.45 3jwy n ILE 140 Ca 0.11 -0.80 -0.20 0.00 -0.27 0.00 0.00 62.75 61.59 3jwy n ILE 140 Cb 0.07 0.09 -0.02 0.00 -1.74 0.00 0.00 39.64 38.04 3jwy n ILE 140 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jwy n LYS 141 N 0.81 -1.59 -0.57 6.28 4.76 -0.87 -4.88 118.16 122.08 3jwy n LYS 141 Ca 0.18 1.01 0.03 0.00 -2.87 0.00 0.00 58.31 56.66 3jwy n LYS 141 Cb 0.62 -5.61 0.20 0.00 -1.84 0.00 0.00 35.03 28.40 3jwy n LYS 141 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3jwy n ARG 142 N -2.88 1.77 -1.65 1.97 5.12 0.43 -5.02 116.66 116.40 3jwy n ARG 142 Ca -0.24 -3.09 -0.42 0.00 -1.93 0.00 0.00 57.85 52.17 3jwy n ARG 142 Cb 0.68 -1.70 -0.03 0.00 -1.16 0.00 0.00 32.46 30.25 3jwy n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3jwy s SER 143 N -2.78 6.28 0.00 0.55 0.15 -1.01 -2.34 113.70 114.54 3jwy s SER 143 Ca 0.40 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.61 3jwy s SER 143 Cb 0.37 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 3jwy s SER 143 CO -0.01 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 173.83 3jwy n GLY 144 N 4.75 0.68 3.71 9.45 0.00 -1.26 -5.04 105.19 117.48 3jwy n GLY 144 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3jwy n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwy s SER 145 N -2.99 1.65 0.06 1.61 1.04 -0.99 -4.81 113.70 109.28 3jwy s SER 145 Ca 0.00 0.51 -0.22 0.00 0.48 0.00 0.00 55.95 56.72 3jwy s SER 145 Cb 0.00 -0.68 -0.13 0.00 0.10 0.00 0.00 66.02 65.30 3jwy s SER 145 CO 0.00 -3.66 1.57 1.56 0.98 0.00 0.00 173.24 173.68 3jwy h GLN 146 N -2.27 0.15 -0.92 4.02 1.08 -1.98 -1.46 115.11 113.73 3jwy h GLN 146 Ca -0.45 -0.03 0.13 0.00 -1.45 0.00 0.00 58.65 56.85 3jwy h GLN 146 Cb 1.27 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.61 3jwy h GLN 146 CO 0.35 0.31 0.59 0.00 -0.95 0.00 0.00 178.83 179.13 3jwy h ALA 147 N 0.84 1.70 0.02 3.87 0.00 -1.94 0.15 119.26 123.90 3jwy h ALA 147 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3jwy h ALA 147 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3jwy h ALA 147 CO -0.00 0.07 -0.01 1.25 0.00 0.00 0.00 179.25 180.56 3jwy h HIS 148 N 0.82 -0.02 -0.35 0.00 -0.00 -1.77 -1.91 115.15 111.91 3jwy h HIS 148 Ca 0.45 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.81 3jwy h HIS 148 Cb 0.59 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 3jwy h HIS 148 CO -0.00 0.27 0.18 0.93 -0.00 0.00 0.00 177.93 179.31 3jwy h GLU 149 N -0.32 0.50 0.00 5.26 4.39 -0.61 -2.05 114.58 121.76 3jwy h GLU 149 Ca -0.00 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3jwy h GLU 149 Cb 0.31 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3jwy h GLU 149 CO 0.00 0.44 -0.32 0.93 -1.16 0.00 0.00 179.01 178.90 3jwy h GLU 150 N 0.44 0.00 -0.13 2.33 5.08 -1.04 -2.17 114.58 119.08 3jwy h GLU 150 Ca 0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 3jwy h GLU 150 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 3jwy h GLU 150 CO -0.02 0.32 -0.52 -0.09 -1.00 0.00 0.00 179.01 177.70 3jwy h ARG 151 N 0.00 0.59 -0.81 2.33 9.65 -1.06 -1.88 114.38 123.19 3jwy h ARG 151 Ca -0.00 -0.45 0.08 0.00 -1.10 0.00 0.00 59.98 58.50 3jwy h ARG 151 Cb 0.67 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.29 3jwy h ARG 151 CO 0.04 1.08 0.53 -0.07 2.80 0.00 0.00 179.97 184.35 3jwy h LEU 152 N 0.22 0.75 -0.53 3.80 3.38 -1.11 -1.42 115.31 120.40 3jwy h LEU 152 Ca -0.03 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3jwy h LEU 152 Cb 1.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3jwy h LEU 152 CO 0.11 0.47 -0.46 1.56 0.09 0.00 0.00 178.44 180.21 3jwy h GLN 153 N 0.84 0.67 -0.00 1.13 4.20 -1.36 -1.45 115.11 119.13 3jwy h GLN 153 Ca 0.36 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3jwy h GLN 153 Cb 0.30 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3jwy h GLN 153 CO -0.13 0.99 0.00 0.93 -0.67 0.00 0.00 178.83 179.95 3jwy h GLU 154 N 0.54 0.01 -0.41 1.46 5.08 -0.44 0.10 114.58 120.91 3jwy h GLU 154 Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3jwy h GLU 154 Cb 1.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 3jwy h GLU 154 CO 0.09 0.01 0.26 0.28 -1.00 0.00 0.00 179.01 178.65 3jwy h VAL 155 N 0.00 1.12 -0.17 3.13 2.07 -1.28 -0.23 116.25 120.89 3jwy h VAL 155 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3jwy h VAL 155 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3jwy h VAL 155 CO -0.00 0.12 0.09 -0.33 0.02 0.00 0.00 177.57 177.47 3jwy h GLU 156 N 0.55 0.23 -0.85 1.57 5.08 -1.11 -1.17 114.58 118.88 3jwy h GLU 156 Ca 0.15 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3jwy h GLU 156 Cb -0.04 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 3jwy h GLU 156 CO -0.03 0.23 0.51 0.00 -1.00 0.00 0.00 179.01 178.72 3jwy h ALA 157 N 0.99 1.18 -0.12 3.43 0.00 -0.60 -1.76 119.26 122.38 3jwy h ALA 157 Ca 0.06 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3jwy h ALA 157 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jwy h ALA 157 CO -0.01 0.20 -0.23 1.49 0.00 0.00 0.00 179.25 180.70 3jwy h GLU 158 N 0.89 0.37 -0.29 0.00 4.81 -0.75 -3.01 114.58 116.61 3jwy h GLU 158 Ca 0.39 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3jwy h GLU 158 Cb 0.26 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3jwy h GLU 158 CO -0.20 0.83 0.16 0.28 -0.73 0.00 0.00 179.01 179.35 3jwy h VAL 159 N -0.05 1.11 -0.36 0.32 2.07 -0.92 -0.13 116.25 118.30 3jwy h VAL 159 Ca 0.01 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.29 3jwy h VAL 159 Cb 0.81 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3jwy h VAL 159 CO 0.05 0.11 0.24 0.00 0.02 0.00 0.00 177.57 178.00 3jwy h ALA 160 N 1.05 2.00 0.06 1.67 0.00 -1.35 0.41 119.26 123.10 3jwy h ALA 160 Ca 0.10 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.66 3jwy h ALA 160 Cb 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3jwy h ALA 160 CO -0.02 -0.07 -1.96 0.43 0.00 0.00 0.00 179.25 177.63 3jwy n SER 161 N -4.48 1.49 -0.02 0.00 7.64 -1.12 -4.65 113.62 112.48 3jwy n SER 161 Ca 0.04 0.24 0.02 0.00 1.01 0.00 0.00 58.87 60.18 3jwy n SER 161 Cb 0.24 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.03 3jwy n SER 161 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3jwy n THR 162 N -3.25 0.00 -0.93 0.44 -2.24 -0.08 -4.99 114.28 103.24 3jwy n THR 162 Ca -0.28 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3jwy n THR 162 Cb 1.05 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.30 3jwy n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jwy n GLY 163 N 0.95 0.48 3.54 3.38 0.00 0.14 -4.95 105.19 108.73 3jwy n GLY 163 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3jwy n GLY 163 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3jwy n THR 164 N -2.39 0.00 -3.66 2.61 5.66 -1.25 -4.93 114.28 110.32 3jwy n THR 164 Ca 0.00 -1.05 -0.07 0.00 -3.05 0.00 0.00 64.05 59.88 3jwy n THR 164 Cb 0.09 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 69.83 3jwy n THR 164 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3jwy n TYR 165 N -0.52 -1.49 -4.04 1.09 4.11 -1.26 -2.53 117.16 112.53 3jwy n TYR 165 Ca -0.07 -1.27 -0.13 0.00 -0.00 0.00 0.00 57.90 56.42 3jwy n TYR 165 Cb 0.57 0.46 -0.13 0.00 -0.00 0.00 0.00 39.34 40.24 3jwy n TYR 165 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 3jwy s HIS 166 N -4.36 0.40 0.23 -3.48 3.76 -1.26 -5.05 115.29 105.54 3jwy s HIS 166 Ca 0.13 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.56 3jwy s HIS 166 Cb -0.02 -0.26 -0.08 0.00 1.11 0.00 0.00 32.58 33.33 3jwy s HIS 166 CO 0.10 -0.06 0.75 -0.51 -0.85 0.00 0.00 174.74 174.17 3jwy s LEU 167 N -0.80 4.35 0.47 0.89 1.43 -1.26 -5.04 118.68 118.73 3jwy s LEU 167 Ca -0.05 1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 54.33 3jwy s LEU 167 Cb -0.06 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 3jwy s LEU 167 CO -0.00 0.03 0.99 -0.13 0.23 0.00 0.00 176.35 177.47 3jwy s ARG 168 N -1.94 3.99 0.24 1.70 1.81 -1.26 -4.89 118.95 118.59 3jwy s ARG 168 Ca 0.43 1.16 -0.05 0.00 -1.72 0.00 0.00 55.73 55.56 3jwy s ARG 168 Cb -0.17 -2.14 0.40 0.00 -0.45 0.00 0.00 34.95 32.59 3jwy s ARG 168 CO 0.22 -0.25 1.78 1.49 -0.68 0.00 0.00 175.30 177.86 3jwy h GLU 169 N 1.52 0.63 -0.83 3.54 4.81 -1.99 -0.84 114.58 121.42 3jwy h GLU 169 Ca -0.49 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3jwy h GLU 169 Cb 1.20 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.39 3jwy h GLU 169 CO 0.60 0.41 0.47 0.66 -0.73 0.00 0.00 179.01 180.43 3jwy h SER 170 N 0.65 1.01 -0.42 1.04 4.64 -1.99 -0.66 113.55 117.82 3jwy h SER 170 Ca 0.39 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 61.59 3jwy h SER 170 Cb 0.44 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 3jwy h SER 170 CO -0.29 0.80 0.09 -0.33 -0.87 0.00 0.00 176.83 176.22 3jwy h GLU 171 N 1.15 0.68 -0.93 4.77 5.08 -1.67 -1.39 114.58 122.27 3jwy h GLU 171 Ca 0.29 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3jwy h GLU 171 Cb -0.01 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3jwy h GLU 171 CO -0.05 0.71 0.61 1.25 -1.00 0.00 0.00 179.01 180.52 3jwy h LEU 172 N 0.54 1.03 -0.36 1.33 5.85 -0.69 0.22 115.31 123.23 3jwy h LEU 172 Ca 0.13 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3jwy h LEU 172 Cb 0.34 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3jwy h LEU 172 CO 0.00 0.72 0.18 0.58 -0.34 0.00 0.00 178.44 179.59 3jwy h VAL 173 N 1.21 1.16 -0.63 1.05 2.07 -0.89 -0.16 116.25 120.07 3jwy h VAL 173 Ca 0.36 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3jwy h VAL 173 Cb -0.05 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3jwy h VAL 173 CO -0.10 0.17 0.40 0.15 0.02 0.00 0.00 177.57 178.20 3jwy h PHE 174 N 0.45 0.74 -0.48 1.57 3.57 -0.74 -2.73 116.94 119.33 3jwy h PHE 174 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3jwy h PHE 174 Cb 0.10 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3jwy h PHE 174 CO -0.02 0.44 0.22 0.78 -2.23 0.00 0.00 178.31 177.50 3jwy h GLY 175 N 0.79 0.74 0.96 2.40 0.00 -0.12 -1.71 103.07 106.13 3jwy h GLY 175 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3jwy h GLY 175 CO -0.08 0.36 0.03 0.00 0.00 0.00 0.00 176.54 176.84 3jwy h ALA 176 N 1.06 0.05 -0.78 3.60 0.00 -0.93 -1.24 119.26 121.02 3jwy h ALA 176 Ca 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jwy h ALA 176 Cb 0.14 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3jwy h ALA 176 CO -0.02 -0.43 0.48 0.87 0.00 0.00 0.00 179.25 180.15 3jwy h LYS 177 N 0.01 1.06 -0.55 0.00 1.57 -1.38 -2.57 116.57 114.71 3jwy h LYS 177 Ca 0.02 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 3jwy h LYS 177 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3jwy h LYS 177 CO -0.00 0.73 0.02 0.37 -0.57 0.00 0.00 179.45 180.00 3jwy h GLN 178 N 1.08 0.96 -0.79 3.15 5.75 -1.10 -0.53 115.11 123.62 3jwy h GLN 178 Ca 0.28 -0.30 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3jwy h GLN 178 Cb -0.06 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 3jwy h GLN 178 CO -0.05 0.96 0.43 0.00 -2.65 0.00 0.00 178.83 177.51 3jwy h ALA 179 N 0.96 1.27 0.10 3.38 0.00 -0.91 0.95 119.26 125.01 3jwy h ALA 179 Ca 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jwy h ALA 179 Cb 0.51 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3jwy h ALA 179 CO 0.02 0.59 -0.05 2.35 0.00 0.00 0.00 179.25 182.17 3jwy h TRP 180 N 1.11 -0.12 -1.03 0.00 7.01 -1.30 -2.72 115.95 118.89 3jwy h TRP 180 Ca 0.28 -0.00 0.26 0.00 2.11 0.00 0.00 58.89 61.54 3jwy h TRP 180 Cb 0.03 0.04 -0.09 0.00 -2.10 0.00 0.00 29.16 27.04 3jwy h TRP 180 CO 0.01 0.22 0.67 -0.09 -2.79 0.00 0.00 178.44 176.46 3jwy h ARG 181 N -0.49 0.38 -0.00 2.65 2.43 -0.80 -1.77 114.38 116.78 3jwy h ARG 181 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3jwy h ARG 181 Cb 0.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3jwy h ARG 181 CO 0.02 0.25 -0.21 0.09 -1.51 0.00 0.00 179.97 178.61 3jwy n ASN 182 N -4.61 0.69 -4.58 -3.80 3.02 0.30 -4.87 115.26 101.41 3jwy n ASN 182 Ca 0.25 -0.62 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 3jwy n ASN 182 Cb 0.87 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 40.05 3jwy n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwy s ALA 183 N -2.57 2.92 0.29 5.41 0.00 -0.67 -4.67 121.76 122.46 3jwy s ALA 183 Ca 0.24 -0.62 0.28 0.00 0.00 0.00 0.00 51.96 51.87 3jwy s ALA 183 Cb 0.19 -4.05 1.30 0.00 0.00 0.00 0.00 23.12 20.57 3jwy s ALA 183 CO 0.52 -2.73 1.99 -1.35 0.00 0.00 0.00 175.76 174.18 3jwy h PRO 184 N 10.50 0.00 -0.03 0.00 0.11 -1.89 -2.39 132.00 138.31 3jwy h PRO 184 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jwy h PRO 184 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jwy h PRO 184 CO 1.16 0.14 0.00 0.54 -0.21 0.00 0.00 178.00 179.63 3jwy n ARG 185 N -3.44 1.53 -3.49 1.05 1.74 -1.26 -1.19 116.66 111.59 3jwy n ARG 185 Ca -0.01 -0.77 -0.38 0.00 -0.77 0.00 0.00 57.85 55.92 3jwy n ARG 185 Cb 0.31 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 3jwy n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwy n VAL 187 N 4.95 0.34 -0.03 0.00 3.14 -1.26 -4.02 118.33 121.45 3jwy n VAL 187 Ca -0.11 -0.25 0.05 0.00 -2.96 0.00 0.00 64.34 61.07 3jwy n VAL 187 Cb 0.51 -0.14 0.24 0.00 -1.06 0.00 0.00 33.84 33.39 3jwy n VAL 187 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3jwy n GLY 188 N 1.35 2.17 0.03 7.55 0.00 -1.26 -4.44 105.19 110.59 3jwy n GLY 188 Ca 0.04 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.58 3jwy n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwy n ARG 189 N 0.47 0.04 0.29 1.61 1.74 -1.26 -2.17 116.66 117.38 3jwy n ARG 189 Ca 0.17 0.30 0.18 0.00 -0.77 0.00 0.00 57.85 57.73 3jwy n ARG 189 Cb 0.75 -1.58 0.99 0.00 -1.02 0.00 0.00 32.46 31.61 3jwy n ARG 189 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jwy h ILE 190 N 0.00 0.30 -0.07 0.55 2.10 -1.86 -1.00 117.51 117.53 3jwy h ILE 190 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jwy h ILE 190 Cb 0.26 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 36.93 3jwy h ILE 190 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jwy n GLN 191 N -3.51 1.40 0.04 2.19 1.13 -0.92 -4.63 117.38 113.07 3jwy n GLN 191 Ca -0.02 -0.59 0.12 0.00 -1.94 0.00 0.00 57.00 54.57 3jwy n GLN 191 Cb 0.15 -1.38 0.58 0.00 0.11 0.00 0.00 30.24 29.70 3jwy n GLN 191 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jwy h TRP 192 N 1.24 0.22 -0.00 1.08 5.08 -1.39 -0.57 115.95 121.62 3jwy h TRP 192 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jwy h TRP 192 Cb 0.27 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.36 3jwy h TRP 192 CO 0.05 0.12 -0.04 0.41 -1.28 0.00 0.00 178.44 177.70 3jwy n GLY 193 N -1.55 -1.24 3.12 11.11 0.00 -1.26 -4.53 105.19 110.84 3jwy n GLY 193 Ca 0.06 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3jwy n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jwy s LYS 194 N -2.60 2.40 -0.25 1.61 2.20 -0.22 -5.00 119.74 117.87 3jwy s LYS 194 Ca 0.27 -2.21 -0.04 0.00 -0.36 0.00 0.00 55.97 53.63 3jwy s LYS 194 Cb 0.20 -3.73 0.14 0.00 -1.51 0.00 0.00 37.83 32.93 3jwy s LYS 194 CO 0.48 -1.15 0.48 -1.17 -0.36 0.00 0.00 175.35 173.63 3jwy s LEU 195 N 0.50 -0.89 -0.20 5.43 2.96 -1.26 -4.65 118.68 120.57 3jwy s LEU 195 Ca 0.13 0.78 -0.29 0.00 -0.22 0.00 0.00 54.13 54.53 3jwy s LEU 195 Cb -0.21 1.60 -0.00 0.00 0.50 0.00 0.00 46.19 48.07 3jwy s LEU 195 CO -0.04 -0.26 1.19 -1.58 -1.32 0.00 0.00 176.35 174.34 3jwy s GLN 196 N 2.69 4.22 -0.28 1.98 2.00 -0.88 -4.96 119.66 124.43 3jwy s GLN 196 Ca 0.08 1.53 -0.08 0.00 -2.00 0.00 0.00 55.36 54.89 3jwy s GLN 196 Cb -0.14 -3.73 -0.01 0.00 0.80 0.00 0.00 33.01 29.93 3jwy s GLN 196 CO -0.17 -0.71 0.11 0.08 -0.50 0.00 0.00 175.29 174.10 3jwy s VAL 197 N 3.45 4.39 -0.27 1.34 1.01 -1.26 -0.59 120.40 128.47 3jwy s VAL 197 Ca 0.51 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 3jwy s VAL 197 Cb -0.19 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3jwy s VAL 197 CO 0.12 0.19 0.19 -0.36 0.00 0.00 0.00 175.10 175.24 3jwy s PHE 198 N 1.60 3.23 -0.50 5.22 0.08 0.13 -4.99 117.98 122.75 3jwy s PHE 198 Ca 0.05 0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.99 3jwy s PHE 198 Cb -0.16 -2.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.95 3jwy s PHE 198 CO 0.05 -0.13 0.96 0.34 -0.10 0.00 0.00 175.22 176.34 3jwy s ASP 199 N 1.67 6.44 -0.21 1.36 2.15 -1.26 -0.89 116.67 125.92 3jwy s ASP 199 Ca 0.07 -0.04 0.13 0.00 0.43 0.00 0.00 52.55 53.15 3jwy s ASP 199 Cb -0.16 -2.46 0.45 0.00 -0.30 0.00 0.00 42.92 40.45 3jwy s ASP 199 CO 0.10 -1.16 1.34 0.00 -0.17 0.00 0.00 175.17 175.28 3jwy n ALA 200 N 7.41 3.44 0.40 3.66 0.00 -0.18 -4.70 120.51 130.55 3jwy n ALA 200 Ca 0.05 -2.89 0.10 0.00 0.00 0.00 0.00 53.44 50.71 3jwy n ALA 200 Cb 0.48 -0.57 0.43 0.00 0.00 0.00 0.00 19.45 19.79 3jwy n ALA 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jwy n ARG 201 N -1.06 0.13 -2.12 0.00 1.74 -1.01 -2.87 116.66 111.47 3jwy n ARG 201 Ca 0.24 0.39 -0.38 0.00 -0.77 0.00 0.00 57.85 57.33 3jwy n ARG 201 Cb 0.85 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3jwy n ARG 201 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jwy n ASP 202 N -2.01 7.53 -4.17 0.55 5.75 -1.26 -4.48 116.55 118.46 3jwy n ASP 202 Ca 0.02 -3.41 -0.32 0.00 -0.01 0.00 0.00 54.79 51.08 3jwy n ASP 202 Cb 0.19 -1.25 -0.17 0.00 -1.03 0.00 0.00 41.12 38.87 3jwy n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jwy n SER 204 N 3.85 1.19 -3.75 0.00 3.41 -1.26 -4.81 113.62 112.26 3jwy n SER 204 Ca -0.20 -1.27 -0.11 0.00 -0.26 0.00 0.00 58.87 57.03 3jwy n SER 204 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 3jwy n SER 204 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jwy s SER 205 N -0.27 -0.12 0.33 4.04 1.04 -1.26 -4.98 113.70 112.48 3jwy s SER 205 Ca 0.00 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.20 3jwy s SER 205 Cb 0.00 0.37 0.57 0.00 0.10 0.00 0.00 66.02 67.06 3jwy s SER 205 CO 0.00 -0.65 1.97 0.00 0.98 0.00 0.00 173.24 175.53 3jwy h ALA 206 N 3.07 1.53 -0.41 5.32 0.00 -1.91 -1.30 119.26 125.56 3jwy h ALA 206 Ca -0.32 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3jwy h ALA 206 Cb 1.21 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3jwy h ALA 206 CO 0.47 0.40 0.17 0.37 0.00 0.00 0.00 179.25 180.66 3jwy h GLN 207 N 0.96 0.34 -0.32 0.00 -0.00 -1.96 -1.50 115.11 112.64 3jwy h GLN 207 Ca 0.30 -0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.84 3jwy h GLN 207 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.41 3jwy h GLN 207 CO -0.08 0.23 -0.19 0.93 0.00 0.00 0.00 178.83 179.71 3jwy h GLU 208 N 0.36 0.59 -0.71 1.69 5.08 -1.82 -2.37 114.58 117.41 3jwy h GLU 208 Ca 0.18 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3jwy h GLU 208 Cb 0.13 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3jwy h GLU 208 CO -0.16 0.75 0.38 0.52 -1.00 0.00 0.00 179.01 179.51 3jwy h MET 209 N 0.53 0.67 -0.14 2.33 2.86 -0.64 -1.39 114.93 119.14 3jwy h MET 209 Ca 0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3jwy h MET 209 Cb 0.63 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 3jwy h MET 209 CO 0.04 0.44 0.09 0.35 1.06 0.00 0.00 176.91 178.89 3jwy h PHE 210 N 0.69 0.19 -0.32 -0.22 3.57 -0.84 0.12 116.94 120.12 3jwy h PHE 210 Ca 0.33 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.89 3jwy h PHE 210 Cb 0.26 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.88 3jwy h PHE 210 CO -0.08 0.16 -0.06 1.15 -2.23 0.00 0.00 178.31 177.25 3jwy h THR 211 N 0.16 0.70 -0.57 4.41 2.02 -1.08 0.15 112.91 118.70 3jwy h THR 211 Ca 0.05 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3jwy h THR 211 Cb 0.03 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3jwy h THR 211 CO -0.01 0.00 0.37 1.88 0.37 0.00 0.00 175.52 178.13 3jwy h TYR 212 N 0.02 0.73 -0.77 3.16 0.05 -0.98 -1.72 116.97 117.47 3jwy h TYR 212 Ca 0.15 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 3jwy h TYR 212 Cb 0.23 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.69 3jwy h TYR 212 CO -0.28 0.48 0.47 0.82 -1.05 0.00 0.00 178.16 178.59 3jwy h ILE 213 N 0.77 1.21 -0.66 -2.88 2.04 -0.27 -1.50 117.51 116.22 3jwy h ILE 213 Ca 0.21 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3jwy h ILE 213 Cb -0.06 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 3jwy h ILE 213 CO -0.04 0.22 0.41 0.00 0.00 0.00 0.00 178.15 178.74 3jwy h ASN 215 N 0.90 1.03 0.00 0.00 -1.24 -1.00 -1.72 115.58 113.55 3jwy h ASN 215 Ca 0.24 -0.17 0.02 0.00 0.71 0.00 0.00 56.30 57.09 3jwy h ASN 215 Cb -0.05 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 3jwy h ASN 215 CO -0.05 0.92 -0.10 -0.74 -1.29 0.00 0.00 177.43 176.17 3jwy h HIS 216 N 1.07 -0.24 -0.20 0.67 2.76 -0.95 0.25 115.15 118.51 3jwy h HIS 216 Ca 0.25 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.43 3jwy h HIS 216 Cb 0.21 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3jwy h HIS 216 CO 0.02 -0.15 0.12 0.82 -1.30 0.00 0.00 177.93 177.44 3jwy h ILE 217 N -0.17 1.02 -0.45 6.26 2.04 -1.14 0.33 117.51 125.40 3jwy h ILE 217 Ca 0.04 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.85 3jwy h ILE 217 Cb 0.21 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3jwy h ILE 217 CO -0.09 0.04 0.22 0.50 0.00 0.00 0.00 178.15 178.82 3jwy h LYS 218 N 0.24 0.43 0.16 2.37 3.11 -1.06 -0.44 116.57 121.38 3jwy h LYS 218 Ca 0.08 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.88 3jwy h LYS 218 Cb -0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 3jwy h LYS 218 CO -0.04 0.28 -0.08 -0.92 -2.81 0.00 0.00 179.45 175.89 3jwy h TYR 219 N 0.44 -0.20 -0.74 1.91 3.20 0.00 -2.63 116.97 118.95 3jwy h TYR 219 Ca 0.20 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 3jwy h TYR 219 Cb 0.12 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3jwy h TYR 219 CO -0.11 0.05 0.25 0.00 -1.64 0.00 0.00 178.16 176.71 3jwy h ALA 220 N 0.37 1.04 0.13 1.82 0.00 -0.18 -3.16 119.26 119.27 3jwy h ALA 220 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3jwy h ALA 220 Cb 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3jwy h ALA 220 CO 0.04 0.66 -0.06 1.15 0.00 0.00 0.00 179.25 181.03 3jwy h THR 221 N 1.09 1.04 -6.36 0.00 2.02 -1.13 -1.02 112.91 108.56 3jwy h THR 221 Ca 0.24 -0.87 -0.48 0.00 0.77 0.00 0.00 66.41 66.08 3jwy h THR 221 Cb 0.28 1.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3jwy h THR 221 CO -0.01 0.20 -0.84 -3.20 0.37 0.00 0.00 175.52 172.04 3jwy n ASN 222 N -4.98 -1.82 -2.59 4.18 4.05 -0.99 -1.73 115.26 111.37 3jwy n ASN 222 Ca -0.09 -0.90 -0.19 0.00 0.45 0.00 0.00 54.58 53.85 3jwy n ASN 222 Cb 0.24 -3.50 0.00 0.00 1.23 0.00 0.00 39.78 37.75 3jwy n ASN 222 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3jwy n ARG 223 N -4.42 -2.57 0.00 1.20 1.74 -1.26 -1.60 116.66 109.75 3jwy n ARG 223 Ca -0.19 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.75 3jwy n ARG 223 Cb 0.63 -5.56 0.00 0.00 -1.02 0.00 0.00 32.46 26.51 3jwy n ARG 223 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwy n GLY 224 N -1.08 2.97 3.40 -0.13 0.00 -0.71 -4.93 105.19 104.71 3jwy n GLY 224 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 3jwy n GLY 224 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3jwy s ASN 225 N -1.33 7.06 0.36 1.61 3.04 -0.63 -1.33 114.94 123.73 3jwy s ASN 225 Ca 0.00 -3.03 -0.27 0.00 0.04 0.00 0.00 52.86 49.60 3jwy s ASN 225 Cb 0.00 -2.31 -0.09 0.00 -1.54 0.00 0.00 41.25 37.31 3jwy s ASN 225 CO 0.00 -0.60 1.23 -0.76 -3.04 0.00 0.00 177.10 173.92 3jwy s LEU 226 N 0.53 4.33 -0.07 3.21 1.02 -1.25 -4.48 118.68 121.97 3jwy s LEU 226 Ca 0.34 2.50 0.02 0.00 0.02 0.00 0.00 54.13 57.01 3jwy s LEU 226 Cb -0.07 -3.82 0.01 0.00 0.02 0.00 0.00 46.19 42.34 3jwy s LEU 226 CO -0.05 -0.58 -0.11 -0.13 0.02 0.00 0.00 176.35 175.49 3jwy s ARG 227 N -2.00 1.65 0.28 1.70 0.52 -0.39 -4.98 118.95 115.74 3jwy s ARG 227 Ca 0.53 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 3jwy s ARG 227 Cb -0.35 -1.41 -0.11 0.00 0.52 0.00 0.00 34.95 33.60 3jwy s ARG 227 CO 0.45 -0.01 1.58 -1.12 0.02 0.00 0.00 175.30 176.23 3jwy s SER 228 N 0.80 6.41 0.07 0.23 0.01 -1.26 -4.46 113.70 115.49 3jwy s SER 228 Ca -0.12 2.91 -0.13 0.00 1.31 0.00 0.00 55.95 59.92 3jwy s SER 228 Cb -0.15 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.46 3jwy s SER 228 CO 0.02 -0.89 0.29 0.00 0.41 0.00 0.00 173.24 173.07 3jwy s ALA 229 N 0.08 -0.61 0.01 1.44 0.00 -0.35 -2.08 121.76 120.25 3jwy s ALA 229 Ca 0.64 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.46 3jwy s ALA 229 Cb -0.47 0.42 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3jwy s ALA 229 CO 0.46 -0.47 -0.04 -1.50 0.00 0.00 0.00 175.76 174.22 3jwy s ILE 230 N -3.04 0.26 -0.11 0.00 2.07 0.24 -1.05 121.20 119.56 3jwy s ILE 230 Ca -0.02 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 3jwy s ILE 230 Cb 0.01 -0.26 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 3jwy s ILE 230 CO -0.06 -0.08 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.81 3jwy s THR 231 N -0.45 2.52 -0.31 4.00 2.01 -0.66 0.19 115.64 122.94 3jwy s THR 231 Ca -0.03 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 3jwy s THR 231 Cb -0.04 -2.01 0.04 0.00 0.01 0.00 0.00 72.50 70.51 3jwy s THR 231 CO -0.00 0.55 0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 3jwy s VAL 232 N 0.30 3.35 0.77 3.82 1.01 -0.07 -2.70 120.40 126.88 3jwy s VAL 232 Ca -0.14 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 60.55 3jwy s VAL 232 Cb -0.17 -2.88 0.11 0.00 0.00 0.00 0.00 36.38 33.44 3jwy s VAL 232 CO 0.07 -0.10 1.08 -0.36 0.00 0.00 0.00 175.10 175.80 3jwy s PHE 233 N 1.33 2.23 0.35 5.22 0.08 -0.40 -1.01 117.98 125.77 3jwy s PHE 233 Ca -0.03 0.21 -0.29 0.00 0.12 0.00 0.00 56.93 56.94 3jwy s PHE 233 Cb -0.19 -3.37 -0.12 0.00 -0.57 0.00 0.00 43.02 38.77 3jwy s PHE 233 CO 0.00 -1.79 1.47 -2.30 -0.10 0.00 0.00 175.22 172.50 3jwy n PRO 234 N -3.10 2.54 -1.19 0.24 -0.02 -1.26 -4.68 135.00 127.53 3jwy n PRO 234 Ca 0.12 0.89 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 3jwy n PRO 234 Cb 0.60 -2.60 0.12 0.00 -0.02 0.00 0.00 33.50 31.59 3jwy n PRO 234 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jwy s GLN 235 N -1.62 1.78 0.45 -0.52 -2.07 -1.26 -4.56 119.66 111.86 3jwy s GLN 235 Ca 0.57 1.71 -0.24 0.00 -1.82 0.00 0.00 55.36 55.58 3jwy s GLN 235 Cb -0.51 -1.80 -0.09 0.00 -1.09 0.00 0.00 33.01 29.52 3jwy s GLN 235 CO 0.59 -2.10 1.17 0.54 -1.32 0.00 0.00 175.29 174.18 3jwy n ARG 236 N -3.19 1.64 -4.56 9.60 1.74 0.16 -4.93 116.66 117.11 3jwy n ARG 236 Ca 0.13 0.59 -0.21 0.00 -0.77 0.00 0.00 57.85 57.59 3jwy n ARG 236 Cb 0.51 -2.27 -0.15 0.00 -1.02 0.00 0.00 32.46 29.52 3jwy n ARG 236 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwy s ALA 237 N -1.26 1.05 0.35 7.54 0.00 -1.26 -4.80 121.76 123.39 3jwy s ALA 237 Ca 0.64 -0.53 0.13 0.00 0.00 0.00 0.00 51.96 52.20 3jwy s ALA 237 Cb -0.51 -0.28 0.96 0.00 0.00 0.00 0.00 23.12 23.29 3jwy s ALA 237 CO 0.56 0.25 1.75 -1.00 0.00 0.00 0.00 175.76 177.32 3jwy h PRO 238 N 5.91 0.51 -0.73 0.00 0.13 -1.98 -2.81 132.00 133.02 3jwy h PRO 238 Ca -0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3jwy h PRO 238 Cb 1.17 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3jwy h PRO 238 CO 0.49 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 179.00 3jwy n GLY 239 N -1.39 2.18 3.60 1.56 0.00 -1.26 -4.98 105.19 104.91 3jwy n GLY 239 Ca 0.26 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 3jwy n GLY 239 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jwy s ARG 240 N -1.92 0.66 0.88 1.61 1.70 -1.06 -5.17 118.95 115.63 3jwy s ARG 240 Ca 0.30 -0.30 -0.10 0.00 -0.47 0.00 0.00 55.73 55.16 3jwy s ARG 240 Cb 0.22 0.26 0.12 0.00 -0.57 0.00 0.00 34.95 34.99 3jwy s ARG 240 CO 0.10 -0.29 1.12 0.20 -1.08 0.00 0.00 175.30 175.34 3jwy s GLY 241 N -2.58 1.67 0.28 3.88 0.00 -1.26 -4.50 107.32 104.80 3jwy s GLY 241 Ca 0.10 0.38 -0.19 0.00 0.00 0.00 0.00 44.72 45.01 3jwy s GLY 241 CO -0.04 0.80 0.76 0.99 0.00 0.00 0.00 173.10 175.61 3jwy s ASP 242 N -2.98 6.99 0.20 1.64 1.01 -1.26 -4.51 116.67 117.76 3jwy s ASP 242 Ca 0.65 1.43 -0.31 0.00 0.71 0.00 0.00 52.55 55.03 3jwy s ASP 242 Cb -0.20 -2.43 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 3jwy s ASP 242 CO 0.58 -0.08 1.45 -0.36 0.21 0.00 0.00 175.17 176.97 3jwy s PHE 243 N -1.72 3.09 -0.03 4.23 0.40 -1.26 -4.01 117.98 118.67 3jwy s PHE 243 Ca 0.48 0.93 -0.06 0.00 -0.60 0.00 0.00 56.93 57.68 3jwy s PHE 243 Cb -0.14 -3.81 0.01 0.00 0.51 0.00 0.00 43.02 39.59 3jwy s PHE 243 CO 0.20 -2.75 0.15 1.03 0.70 0.00 0.00 175.22 174.54 3jwy s ARG 244 N 0.27 0.32 -0.24 0.44 1.81 -0.33 -3.51 118.95 117.70 3jwy s ARG 244 Ca 0.63 -0.06 -0.10 0.00 -1.72 0.00 0.00 55.73 54.48 3jwy s ARG 244 Cb -0.41 0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 34.18 3jwy s ARG 244 CO 0.38 -0.06 0.14 0.42 -0.68 0.00 0.00 175.30 175.49 3jwy s ILE 245 N -0.57 5.11 0.16 1.52 1.01 -1.26 -0.90 121.20 126.27 3jwy s ILE 245 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3jwy s ILE 245 Cb -0.04 -3.39 -0.15 0.00 0.01 0.00 0.00 42.46 38.89 3jwy s ILE 245 CO 0.01 0.34 1.37 -0.50 0.00 0.00 0.00 174.94 176.15 3jwy h TRP 246 N 7.69 0.40 -4.02 3.97 4.06 -1.46 -3.42 115.95 123.16 3jwy h TRP 246 Ca -0.37 -0.21 -0.52 0.00 2.06 0.00 0.00 58.89 59.84 3jwy h TRP 246 Cb 1.17 -0.05 0.09 0.00 -1.00 0.00 0.00 29.16 29.38 3jwy h TRP 246 CO 0.67 1.02 0.53 -0.80 -3.56 0.00 0.00 178.44 176.30 3jwy s ASN 247 N -6.97 5.80 0.26 -3.49 -0.87 -1.26 -4.94 114.94 103.46 3jwy s ASN 247 Ca -0.04 2.47 0.14 0.00 -1.57 0.00 0.00 52.86 53.86 3jwy s ASN 247 Cb 0.10 -2.61 0.13 0.00 -0.02 0.00 0.00 41.25 38.84 3jwy s ASN 247 CO 0.84 -1.19 1.47 0.77 -2.57 0.00 0.00 177.10 176.42 3jwy h SER 248 N 1.77 0.00 -4.51 -1.22 4.64 -1.91 -3.35 113.55 108.96 3jwy h SER 248 Ca -0.50 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.52 3jwy h SER 248 Cb 1.27 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.18 3jwy h SER 248 CO 0.59 0.59 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.31 3jwy s GLN 249 N -3.04 0.77 0.32 4.77 -0.21 -1.26 -1.03 119.66 119.97 3jwy s GLN 249 Ca 0.02 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.37 3jwy s GLN 249 Cb 0.09 -0.44 0.53 0.00 1.00 0.00 0.00 33.01 34.19 3jwy s GLN 249 CO 0.75 0.06 1.79 -0.07 -2.12 0.00 0.00 175.29 175.71 3jwy h LEU 250 N 3.72 0.41 -8.03 2.90 3.38 -1.56 -3.40 115.31 112.72 3jwy h LEU 250 Ca -0.37 -0.12 -0.64 0.00 0.09 0.00 0.00 57.88 56.85 3jwy h LEU 250 Cb 1.19 -0.11 -0.35 0.00 0.09 0.00 0.00 40.66 41.48 3jwy h LEU 250 CO 0.51 0.61 -0.85 -0.69 0.09 0.00 0.00 178.44 178.12 3jwy s VAL 251 N -4.61 1.81 0.04 1.22 1.01 -1.26 -4.91 120.40 113.70 3jwy s VAL 251 Ca -0.06 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 3jwy s VAL 251 Cb 0.14 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.93 3jwy s VAL 251 CO 0.77 0.50 0.51 -0.13 0.00 0.00 0.00 175.10 176.75 3jwy s ARG 252 N 1.18 1.01 0.04 2.72 0.52 -1.26 -4.85 118.95 118.30 3jwy s ARG 252 Ca -0.00 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 54.86 3jwy s ARG 252 Cb -0.14 0.46 -0.06 0.00 0.52 0.00 0.00 34.95 35.73 3jwy s ARG 252 CO -0.07 -0.36 0.39 0.71 0.02 0.00 0.00 175.30 175.99 3jwy s TYR 253 N -2.38 3.64 0.64 -0.53 2.02 -1.26 -1.28 117.35 118.20 3jwy s TYR 253 Ca -0.06 0.86 -0.17 0.00 -0.37 0.00 0.00 57.07 57.34 3jwy s TYR 253 Cb -0.01 -2.20 -0.01 0.00 -0.40 0.00 0.00 41.96 39.34 3jwy s TYR 253 CO -0.01 0.58 1.18 0.00 -1.57 0.00 0.00 175.55 175.73 3jwy s ALA 254 N -1.26 2.42 -0.21 3.71 0.00 0.29 -4.40 121.76 122.31 3jwy s ALA 254 Ca 0.29 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3jwy s ALA 254 Cb -0.15 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3jwy s ALA 254 CO 0.16 -1.36 -0.10 0.20 0.00 0.00 0.00 175.76 174.66 3jwy s GLY 255 N -1.94 1.33 -0.29 0.00 0.00 -1.24 -1.16 107.32 104.01 3jwy s GLY 255 Ca 0.74 -1.30 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 3jwy s GLY 255 CO 0.38 0.70 0.15 -0.19 0.00 0.00 0.00 173.10 174.14 3jwy s TYR 256 N 1.35 3.17 0.15 1.90 2.02 0.13 -4.10 117.35 121.97 3jwy s TYR 256 Ca -0.03 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 3jwy s TYR 256 Cb -0.17 -2.34 -0.08 0.00 -0.40 0.00 0.00 41.96 38.96 3jwy s TYR 256 CO -0.08 -0.35 1.34 0.50 -1.57 0.00 0.00 175.55 175.39 3jwy s ARG 257 N 1.66 4.36 0.30 -0.62 6.06 -1.26 -0.14 118.95 129.30 3jwy s ARG 257 Ca 0.06 2.05 0.07 0.00 -2.50 0.00 0.00 55.73 55.40 3jwy s ARG 257 Cb -0.16 -3.23 -0.03 0.00 0.06 0.00 0.00 34.95 31.59 3jwy s ARG 257 CO 0.07 -0.34 0.28 -0.65 -2.50 0.00 0.00 175.30 172.16 3jwy s GLN 258 N 0.52 2.88 0.18 5.12 -1.52 0.29 -4.92 119.66 122.21 3jwy s GLN 258 Ca 0.60 -1.14 -0.21 0.00 -1.95 0.00 0.00 55.36 52.66 3jwy s GLN 258 Cb -0.36 -2.57 0.10 0.00 -0.22 0.00 0.00 33.01 29.96 3jwy s GLN 258 CO 0.34 0.23 1.60 1.96 -0.25 0.00 0.00 175.29 179.17 3jwy h GLN 259 N 1.30 -0.18 -0.97 2.91 1.08 -1.96 -0.70 115.11 116.59 3jwy h GLN 259 Ca -0.47 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3jwy h GLN 259 Cb 1.25 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 3jwy h GLN 259 CO 0.59 -0.12 0.00 -0.40 -0.95 0.00 0.00 178.83 177.95 3jwy n ASP 260 N -5.42 0.81 0.00 1.46 5.75 -1.26 -4.80 116.55 113.09 3jwy n ASP 260 Ca 0.03 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 3jwy n ASP 260 Cb 0.34 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3jwy n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jwy n GLY 261 N 0.53 0.76 3.80 6.12 0.00 -0.27 -4.95 105.19 111.18 3jwy n GLY 261 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3jwy n GLY 261 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwy s SER 262 N -2.19 4.86 -0.13 1.61 1.04 -1.26 -4.75 113.70 112.88 3jwy s SER 262 Ca 0.00 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.91 3jwy s SER 262 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 3jwy s SER 262 CO 0.00 -1.76 -0.04 -0.69 0.98 0.00 0.00 173.24 171.72 3jwy s VAL 263 N -3.07 3.87 -0.17 5.02 1.01 -1.26 -0.54 120.40 125.26 3jwy s VAL 263 Ca 0.60 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3jwy s VAL 263 Cb -0.15 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3jwy s VAL 263 CO 0.55 0.52 0.24 -0.60 0.00 0.00 0.00 175.10 175.81 3jwy s ARG 264 N 0.05 4.19 1.42 2.72 3.52 0.80 -4.93 118.95 126.72 3jwy s ARG 264 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3jwy s ARG 264 Cb -0.13 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 3jwy s ARG 264 CO 0.03 0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 3jwy n GLY 265 N 3.32 0.10 3.48 8.12 0.00 -1.26 0.19 105.19 119.14 3jwy n GLY 265 Ca -0.13 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 3jwy n GLY 265 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jwy s ASP 266 N -4.00 6.25 0.67 1.61 -1.08 -0.31 -4.80 116.67 115.00 3jwy s ASP 266 Ca 0.00 -0.62 0.39 0.00 -0.52 0.00 0.00 52.55 51.79 3jwy s ASP 266 Cb 0.00 -2.27 2.12 0.00 -1.46 0.00 0.00 42.92 41.30 3jwy s ASP 266 CO 0.00 -0.73 2.20 -0.65 0.52 0.00 0.00 175.17 176.51 3jwy h PRO 267 N 8.85 0.00 0.00 4.34 0.11 -1.82 -1.50 132.00 141.98 3jwy h PRO 267 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3jwy h PRO 267 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jwy h PRO 267 CO 0.87 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 3jwy n ALA 268 N -2.01 1.81 -0.93 -0.75 0.00 -1.26 -3.46 120.51 113.91 3jwy n ALA 268 Ca -0.03 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.51 3jwy n ALA 268 Cb 0.19 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.39 3jwy n ALA 268 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jwy n ASN 269 N -1.96 2.19 0.07 0.00 3.02 -0.57 -4.73 115.26 113.29 3jwy n ASN 269 Ca 0.03 -2.86 -0.13 0.00 -0.03 0.00 0.00 54.58 51.60 3jwy n ASN 269 Cb 0.25 -0.35 -0.06 0.00 -0.61 0.00 0.00 39.78 39.01 3jwy n ASN 269 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jwy h VAL 270 N 0.27 0.24 -0.17 2.41 2.07 -1.67 -0.51 116.25 118.89 3jwy h VAL 270 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3jwy h VAL 270 Cb 0.93 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3jwy h VAL 270 CO 0.00 0.00 0.02 -0.08 0.02 0.00 0.00 177.57 177.53 3jwy h GLU 271 N -0.53 0.08 -0.39 1.57 4.81 -1.86 0.42 114.58 118.66 3jwy h GLU 271 Ca 0.05 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 3jwy h GLU 271 Cb 0.61 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3jwy h GLU 271 CO -0.27 0.05 -0.07 0.97 -0.73 0.00 0.00 179.01 178.96 3jwy h ILE 272 N 0.08 1.24 -0.72 2.32 6.09 -1.88 -1.48 117.51 123.15 3jwy h ILE 272 Ca 0.08 -1.03 0.02 0.00 -1.37 0.00 0.00 64.86 62.57 3jwy h ILE 272 Cb 0.08 1.01 -0.04 0.00 0.47 0.00 0.00 36.82 38.35 3jwy h ILE 272 CO -0.12 0.35 0.46 0.74 -3.07 0.00 0.00 178.15 176.51 3jwy h THR 273 N 0.61 1.12 -0.23 2.19 2.02 -0.39 -1.52 112.91 116.71 3jwy h THR 273 Ca 0.12 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 3jwy h THR 273 Cb 0.49 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3jwy h THR 273 CO 0.03 0.17 -0.22 -0.33 0.37 0.00 0.00 175.52 175.53 3jwy h GLU 274 N 0.91 0.42 -0.23 6.66 5.08 -0.22 -2.20 114.58 124.99 3jwy h GLU 274 Ca 0.28 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3jwy h GLU 274 Cb -0.01 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3jwy h GLU 274 CO -0.10 0.62 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.35 3jwy h LEU 275 N 0.38 0.51 -1.14 1.33 3.38 -0.96 -1.76 115.31 117.04 3jwy h LEU 275 Ca 0.06 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3jwy h LEU 275 Cb 0.60 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3jwy h LEU 275 CO 0.04 0.80 0.59 0.00 0.09 0.00 0.00 178.44 179.97 3jwy h ILE 277 N 1.00 1.30 0.00 0.00 2.04 -1.23 -1.29 117.51 119.33 3jwy h ILE 277 Ca 0.40 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 3jwy h ILE 277 Cb 0.26 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3jwy h ILE 277 CO -0.16 0.35 -0.12 0.06 0.00 0.00 0.00 178.15 178.28 3jwy h GLN 278 N 0.17 0.00 -0.69 2.37 3.07 -0.83 -1.90 115.11 117.30 3jwy h GLN 278 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.76 3jwy h GLN 278 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.12 3jwy h GLN 278 CO 0.03 0.12 0.04 0.72 0.09 0.00 0.00 178.83 179.83 3jwy n HIS 279 N -3.49 1.77 0.00 0.06 8.25 -0.69 -4.94 115.22 116.18 3jwy n HIS 279 Ca -0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.78 3jwy n HIS 279 Cb 0.27 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.91 3jwy n HIS 279 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jwy n GLY 280 N 0.40 0.62 3.74 -1.41 0.00 -0.71 -4.79 105.19 103.05 3jwy n GLY 280 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3jwy n GLY 280 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jwy s TRP 281 N -2.00 3.25 -0.39 1.61 -0.00 -0.51 -4.99 118.94 115.91 3jwy s TRP 281 Ca 0.00 1.29 -0.25 0.00 -0.00 0.00 0.00 56.10 57.13 3jwy s TRP 281 Cb 0.00 -3.59 0.02 0.00 -0.00 0.00 0.00 33.47 29.90 3jwy s TRP 281 CO 0.00 -1.78 0.90 0.99 -0.00 0.00 0.00 176.95 177.07 3jwy s THR 282 N -0.17 4.59 0.43 5.86 2.01 -1.26 -4.59 115.64 122.51 3jwy s THR 282 Ca 0.55 1.05 -0.21 0.00 0.31 0.00 0.00 61.69 63.39 3jwy s THR 282 Cb -0.37 -4.33 -0.11 0.00 0.01 0.00 0.00 72.50 67.70 3jwy s THR 282 CO 0.41 -0.58 0.95 -2.16 -0.69 0.00 0.00 174.62 172.55 3jwy s PRO 283 N 3.47 4.21 0.00 4.92 0.04 -1.26 -5.09 135.00 141.30 3jwy s PRO 283 Ca 0.37 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3jwy s PRO 283 Cb -0.12 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.24 3jwy s PRO 283 CO 0.20 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.61 3jwy n GLY 284 N -0.68 -0.54 0.97 0.56 0.00 -1.26 -5.06 105.19 99.19 3jwy n GLY 284 Ca 0.07 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.44 3jwy n GLY 284 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jwy n ASN 285 N 0.00 0.04 -4.60 1.61 6.94 -1.26 -5.09 115.26 112.90 3jwy n ASN 285 Ca 0.00 -1.82 -0.24 0.00 -0.02 0.00 0.00 54.58 52.50 3jwy n ASN 285 Cb 0.00 -0.05 0.12 0.00 -2.36 0.00 0.00 39.78 37.49 3jwy n ASN 285 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3jwy s GLY 286 N -1.15 1.75 0.18 4.83 0.00 -1.26 -5.01 107.32 106.66 3jwy s GLY 286 Ca 0.11 -1.83 0.24 0.00 0.00 0.00 0.00 44.72 43.25 3jwy s GLY 286 CO -0.06 -1.20 1.39 3.21 0.00 0.00 0.00 173.10 176.45 3jwy h ARG 287 N -0.65 0.00 -0.78 2.90 3.08 -1.93 -3.38 114.38 113.61 3jwy h ARG 287 Ca -0.35 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.36 3jwy h ARG 287 Cb 1.26 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.91 3jwy h ARG 287 CO 0.37 0.00 -1.10 1.19 -1.07 0.00 0.00 179.97 179.37 3jwy n PHE 288 N -2.31 1.51 -2.69 3.04 3.72 -1.26 -4.30 117.46 115.18 3jwy n PHE 288 Ca 0.03 -2.49 -0.43 0.00 -0.05 0.00 0.00 57.45 54.51 3jwy n PHE 288 Cb 0.46 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 3jwy n PHE 288 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3jwy s ASP 289 N -3.49 6.82 0.10 4.37 1.01 -1.26 -4.91 116.67 119.31 3jwy s ASP 289 Ca 0.31 0.84 -0.31 0.00 0.71 0.00 0.00 52.55 54.10 3jwy s ASP 289 Cb 0.39 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 3jwy s ASP 289 CO -0.01 -0.91 1.68 -0.69 0.21 0.00 0.00 175.17 175.44 3jwy s VAL 290 N 3.69 2.83 0.58 -1.27 1.01 -1.26 -0.55 120.40 125.43 3jwy s VAL 290 Ca 0.43 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 3jwy s VAL 290 Cb -0.11 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3jwy s VAL 290 CO 0.18 0.01 1.07 -0.76 0.00 0.00 0.00 175.10 175.59 3jwy s LEU 291 N 2.34 3.54 0.70 3.92 1.43 -0.40 -4.87 118.68 125.34 3jwy s LEU 291 Ca 0.75 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 3jwy s LEU 291 Cb -0.42 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.27 3jwy s LEU 291 CO 0.33 -1.18 1.08 -2.16 0.23 0.00 0.00 176.35 174.65 3jwy s PRO 292 N -3.92 2.91 -0.06 1.29 0.04 -1.26 -4.72 135.00 129.28 3jwy s PRO 292 Ca 0.65 0.61 -0.19 0.00 0.04 0.00 0.00 61.00 62.11 3jwy s PRO 292 Cb -0.17 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 3jwy s PRO 292 CO 0.35 -1.03 0.51 -0.51 0.04 0.00 0.00 177.00 176.36 3jwy s LEU 293 N -5.41 4.36 -0.41 -3.56 1.43 0.92 -4.91 118.68 111.10 3jwy s LEU 293 Ca 0.58 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 3jwy s LEU 293 Cb -0.12 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.37 3jwy s LEU 293 CO 0.53 0.09 0.29 -0.76 0.23 0.00 0.00 176.35 176.72 3jwy s LEU 294 N 0.05 5.11 -0.08 1.79 1.43 -1.26 -0.82 118.68 124.90 3jwy s LEU 294 Ca 0.28 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 3jwy s LEU 294 Cb -0.17 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 3jwy s LEU 294 CO 0.13 -0.49 -0.10 -0.76 0.23 0.00 0.00 176.35 175.37 3jwy s LEU 295 N 1.60 2.99 -0.11 1.79 1.43 0.04 -1.14 118.68 125.28 3jwy s LEU 295 Ca 0.03 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3jwy s LEU 295 Cb -0.21 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3jwy s LEU 295 CO 0.07 0.32 -0.07 -1.58 0.23 0.00 0.00 176.35 175.32 3jwy s GLN 296 N -0.56 1.46 0.48 1.70 0.74 -0.08 0.46 119.66 123.86 3jwy s GLN 296 Ca 0.08 -0.25 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 3jwy s GLN 296 Cb -0.12 -1.58 -0.06 0.00 1.10 0.00 0.00 33.01 32.36 3jwy s GLN 296 CO 0.02 -0.28 0.86 0.00 -0.55 0.00 0.00 175.29 175.34 3jwy s ALA 297 N 1.72 3.25 0.05 1.58 0.00 -1.26 -1.19 121.76 125.92 3jwy s ALA 297 Ca 0.05 -0.14 -0.37 0.00 0.00 0.00 0.00 51.96 51.50 3jwy s ALA 297 Cb -0.13 -2.84 -0.16 0.00 0.00 0.00 0.00 23.12 19.99 3jwy s ALA 297 CO -0.08 -0.23 1.44 -2.30 0.00 0.00 0.00 175.76 174.59 3jwy n PRO 298 N -1.76 1.34 -1.89 0.00 -0.02 -1.26 -2.27 135.00 129.14 3jwy n PRO 298 Ca 0.04 0.49 -0.19 0.00 -2.02 0.00 0.00 63.50 61.81 3jwy n PRO 298 Cb 0.54 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 3jwy n PRO 298 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jwy n ASP 299 N 3.09 -5.29 -4.42 2.55 8.00 -1.26 -4.88 116.55 114.34 3jwy n ASP 299 Ca 0.19 0.30 -0.26 0.00 0.71 0.00 0.00 54.79 55.73 3jwy n ASP 299 Cb 0.20 -4.58 -0.12 0.00 -0.02 0.00 0.00 41.12 36.60 3jwy n ASP 299 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3jwy s GLU 300 N -4.19 1.51 0.49 -1.24 0.41 -0.96 -5.09 118.70 109.63 3jwy s GLU 300 Ca 0.00 -1.53 -0.23 0.00 -0.41 0.00 0.00 54.97 52.80 3jwy s GLU 300 Cb 0.00 -1.80 -0.07 0.00 -1.78 0.00 0.00 34.13 30.48 3jwy s GLU 300 CO 0.00 0.38 1.26 0.00 -0.49 0.00 0.00 175.26 176.41 3jwy n ALA 301 N 0.22 1.23 -1.40 5.21 0.00 -1.26 -4.66 120.51 119.85 3jwy n ALA 301 Ca -0.12 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 3jwy n ALA 301 Cb 0.56 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 17.81 3jwy n ALA 301 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jwy s PRO 302 N -2.53 2.48 0.03 0.00 0.04 -1.26 -4.71 135.00 129.05 3jwy s PRO 302 Ca 0.67 1.46 0.07 0.00 0.04 0.00 0.00 61.00 63.25 3jwy s PRO 302 Cb -0.46 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3jwy s PRO 302 CO 0.53 -1.52 -0.20 -1.21 0.04 0.00 0.00 177.00 174.65 3jwy s GLU 303 N -4.17 2.04 -0.12 4.56 2.02 0.17 -4.87 118.70 118.32 3jwy s GLU 303 Ca 0.68 -0.99 -0.16 0.00 0.02 0.00 0.00 54.97 54.52 3jwy s GLU 303 Cb -0.22 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3jwy s GLU 303 CO 0.45 0.54 0.41 -1.17 0.02 0.00 0.00 175.26 175.51 3jwy s LEU 304 N -1.31 4.28 -0.04 1.80 2.96 -1.26 -0.78 118.68 124.33 3jwy s LEU 304 Ca 0.13 0.72 -0.00 0.00 -0.22 0.00 0.00 54.13 54.76 3jwy s LEU 304 Cb -0.10 -2.57 0.03 0.00 0.50 0.00 0.00 46.19 44.04 3jwy s LEU 304 CO 0.04 0.06 0.00 -0.36 -1.32 0.00 0.00 176.35 174.77 3jwy s PHE 305 N 0.44 0.44 -0.10 5.38 0.08 -0.00 -4.99 117.98 119.23 3jwy s PHE 305 Ca 0.22 -0.04 -0.22 0.00 0.12 0.00 0.00 56.93 57.01 3jwy s PHE 305 Cb -0.14 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.71 3jwy s PHE 305 CO 0.08 -0.20 0.66 0.08 -0.10 0.00 0.00 175.22 175.74 3jwy s VAL 306 N 1.42 5.05 0.17 -0.44 1.01 -1.26 -0.05 120.40 126.30 3jwy s VAL 306 Ca -0.04 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 3jwy s VAL 306 Cb -0.13 -4.00 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3jwy s VAL 306 CO -0.03 0.22 1.29 -0.76 0.00 0.00 0.00 175.10 175.83 3jwy s LEU 307 N 1.06 4.41 0.09 3.92 1.43 -1.26 -4.97 118.68 123.36 3jwy s LEU 307 Ca 0.34 2.32 -0.31 0.00 -1.03 0.00 0.00 54.13 55.46 3jwy s LEU 307 Cb -0.17 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.36 3jwy s LEU 307 CO 0.15 -0.51 1.67 -2.84 0.23 0.00 0.00 176.35 175.05 3jwy s PRO 308 N 0.18 4.19 0.50 1.29 0.02 -1.26 -4.87 135.00 135.05 3jwy s PRO 308 Ca 0.57 2.37 0.27 0.00 0.02 0.00 0.00 61.00 64.23 3jwy s PRO 308 Cb -0.35 -3.55 1.35 0.00 0.02 0.00 0.00 34.50 31.97 3jwy s PRO 308 CO 0.36 -0.74 1.88 -1.35 -0.33 0.00 0.00 177.00 176.82 3jwy h PRO 309 N 8.19 0.13 0.00 5.54 0.11 -1.95 0.19 132.00 144.22 3jwy h PRO 309 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3jwy h PRO 309 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jwy h PRO 309 CO 0.93 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.96 3jwy n GLU 310 N -4.36 0.14 0.08 1.05 0.00 -1.26 -2.48 120.64 113.81 3jwy n GLU 310 Ca 0.19 0.45 0.05 0.00 0.00 0.00 0.00 57.16 57.85 3jwy n GLU 310 Cb 0.87 -1.81 -0.02 0.00 0.00 0.00 0.00 31.44 30.47 3jwy n GLU 310 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3jwy h LEU 311 N 0.00 0.00 -8.05 -1.84 3.38 -0.98 -3.44 115.31 104.38 3jwy h LEU 311 Ca 0.00 0.00 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3jwy h LEU 311 Cb 0.24 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.79 3jwy h LEU 311 CO 0.00 0.35 0.30 -0.69 0.09 0.00 0.00 178.44 178.49 3jwy s VAL 312 N -3.09 4.94 0.02 1.22 1.01 -1.03 -4.80 120.40 118.67 3jwy s VAL 312 Ca -0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.26 3jwy s VAL 312 Cb 0.08 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 3jwy s VAL 312 CO 0.78 -1.21 1.18 -0.22 0.00 0.00 0.00 175.10 175.64 3jwy s LEU 313 N 2.22 4.34 0.17 3.92 2.96 -1.26 -4.99 118.68 126.03 3jwy s LEU 313 Ca 0.18 1.92 0.09 0.00 -0.22 0.00 0.00 54.13 56.10 3jwy s LEU 313 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3jwy s LEU 313 CO -0.01 -0.49 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.74 3jwy s GLU 314 N 1.45 1.28 -0.23 1.98 2.02 -1.26 -0.90 118.70 123.04 3jwy s GLU 314 Ca 0.57 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3jwy s GLU 314 Cb -0.27 -1.35 0.05 0.00 0.10 0.00 0.00 34.13 32.66 3jwy s GLU 314 CO 0.27 0.27 -0.12 0.08 0.02 0.00 0.00 175.26 175.78 3jwy s VAL 315 N -2.04 1.98 0.29 2.63 1.01 0.19 -4.91 120.40 119.55 3jwy s VAL 315 Ca 0.16 -1.31 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 3jwy s VAL 315 Cb -0.06 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.20 3jwy s VAL 315 CO 0.07 0.14 1.36 -2.16 0.00 0.00 0.00 175.10 174.51 3jwy s PRO 316 N 1.23 4.32 -0.27 2.72 0.04 -1.26 -1.98 135.00 139.80 3jwy s PRO 316 Ca -0.04 2.24 -0.15 0.00 0.04 0.00 0.00 61.00 63.10 3jwy s PRO 316 Cb -0.17 -3.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3jwy s PRO 316 CO -0.08 -0.29 0.36 -0.51 0.04 0.00 0.00 177.00 176.53 3jwy s LEU 317 N -1.13 4.04 0.30 -3.56 1.43 -0.22 -4.85 118.68 114.69 3jwy s LEU 317 Ca 0.53 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.98 3jwy s LEU 317 Cb -0.40 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 3jwy s LEU 317 CO 0.48 -0.17 -0.02 -1.83 0.23 0.00 0.00 176.35 175.04 3jwy s GLU 318 N 2.00 1.61 -0.04 1.70 -1.05 -1.26 -4.07 118.70 117.59 3jwy s GLU 318 Ca 0.15 -1.84 0.04 0.00 -0.15 0.00 0.00 54.97 53.16 3jwy s GLU 318 Cb -0.16 -1.11 -0.03 0.00 -0.44 0.00 0.00 34.13 32.40 3jwy s GLU 318 CO 0.10 -0.03 -0.15 -1.58 0.95 0.00 0.00 175.26 174.54 3jwy s HIS 319 N -3.07 2.67 0.27 4.83 5.65 -1.26 -4.35 115.29 120.04 3jwy s HIS 319 Ca 0.32 -0.18 0.00 0.00 0.25 0.00 0.00 55.06 55.45 3jwy s HIS 319 Cb 0.06 -1.61 0.58 0.00 -1.18 0.00 0.00 32.58 30.42 3jwy s HIS 319 CO 0.13 0.18 1.76 -1.00 -0.65 0.00 0.00 174.74 175.16 3jwy h PRO 320 N 5.29 0.61 0.00 2.88 0.13 -1.92 -3.32 132.00 135.67 3jwy h PRO 320 Ca -0.46 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 3jwy h PRO 320 Cb 1.15 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 3jwy h PRO 320 CO 0.50 0.40 -1.21 0.25 -0.23 0.00 0.00 178.00 177.71 3jwy n THR 321 N -4.87 0.18 -2.93 1.56 -2.24 -1.26 -4.94 114.28 99.78 3jwy n THR 321 Ca 0.18 -0.13 -0.44 0.00 -2.27 0.00 0.00 64.05 61.40 3jwy n THR 321 Cb 0.47 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 68.00 3jwy n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jwy s LEU 322 N -4.05 4.72 0.43 3.22 1.43 -1.25 -4.90 118.68 118.28 3jwy s LEU 322 Ca -0.02 -1.22 0.22 0.00 -1.03 0.00 0.00 54.13 52.08 3jwy s LEU 322 Cb 0.01 -2.39 0.97 0.00 0.03 0.00 0.00 46.19 44.81 3jwy s LEU 322 CO 0.13 -1.32 1.87 1.05 0.23 0.00 0.00 176.35 178.31 3jwy h GLU 323 N 9.39 0.00 0.00 1.70 -0.00 -1.92 -2.74 114.58 121.01 3jwy h GLU 323 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.07 3jwy h GLU 323 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.81 3jwy h GLU 323 CO 1.15 0.27 -0.23 0.11 -0.00 0.00 0.00 179.01 180.31 3jwy h TRP 324 N 0.00 0.00 -0.56 2.06 5.08 -1.95 -3.33 115.95 117.25 3jwy h TRP 324 Ca -0.00 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 3jwy h TRP 324 Cb 0.66 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.73 3jwy h TRP 324 CO 0.00 0.23 -0.02 0.35 -1.28 0.00 0.00 178.44 177.72 3jwy h PHE 325 N 0.00 -0.07 -0.01 0.12 3.04 -1.87 0.79 116.94 118.95 3jwy h PHE 325 Ca -0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3jwy h PHE 325 Cb 0.73 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.36 3jwy h PHE 325 CO 0.00 -0.15 0.03 0.00 -2.02 0.00 0.00 178.31 176.17 3jwy h ALA 326 N 1.51 1.16 0.00 2.41 0.00 -1.71 -0.06 119.26 122.57 3jwy h ALA 326 Ca 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3jwy h ALA 326 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3jwy h ALA 326 CO -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 178.73 3jwy n ALA 327 N -2.13 2.08 0.28 0.00 0.00 0.27 -2.33 120.51 118.69 3jwy n ALA 327 Ca -0.03 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3jwy n ALA 327 Cb 0.10 -1.43 0.66 0.00 0.00 0.00 0.00 19.45 18.78 3jwy n ALA 327 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3jwy h LEU 328 N 0.00 0.00 0.35 0.00 3.38 -1.05 -3.46 115.31 114.53 3jwy h LEU 328 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3jwy h LEU 328 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 3jwy h LEU 328 CO 0.00 0.00 -0.14 0.61 0.09 0.00 0.00 178.44 179.00 3jwy n GLY 329 N -0.66 0.93 3.78 0.83 0.00 -0.98 -5.00 105.19 104.08 3jwy n GLY 329 Ca -0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 3jwy n GLY 329 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwy s LEU 330 N -1.66 4.18 0.19 0.99 1.02 -1.26 -4.98 118.68 117.16 3jwy s LEU 330 Ca 0.00 1.97 -0.18 0.00 0.02 0.00 0.00 54.13 55.95 3jwy s LEU 330 Cb 0.00 -4.16 0.03 0.00 0.02 0.00 0.00 46.19 42.08 3jwy s LEU 330 CO 0.00 -0.38 0.51 0.00 0.02 0.00 0.00 176.35 176.50 3jwy s ARG 331 N -2.43 1.35 0.08 1.70 1.70 -1.26 -1.06 118.95 119.03 3jwy s ARG 331 Ca 0.56 -0.83 -0.07 0.00 -0.47 0.00 0.00 55.73 54.91 3jwy s ARG 331 Cb -0.21 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.69 3jwy s ARG 331 CO 0.26 -0.57 0.15 -0.46 -1.08 0.00 0.00 175.30 173.60 3jwy s TRP 332 N -3.86 0.21 0.33 5.89 -0.11 -0.84 -4.96 118.94 115.60 3jwy s TRP 332 Ca 0.08 -0.66 -0.08 0.00 1.22 0.00 0.00 56.10 56.66 3jwy s TRP 332 Cb -0.01 -0.12 -0.06 0.00 -1.50 0.00 0.00 33.47 31.79 3jwy s TRP 332 CO -0.04 -0.51 0.64 1.52 -4.62 0.00 0.00 176.95 173.94 3jwy s TYR 333 N -3.83 3.46 0.18 5.86 -0.85 -1.26 0.53 117.35 121.43 3jwy s TYR 333 Ca 0.05 0.83 0.03 0.00 -0.52 0.00 0.00 57.07 57.46 3jwy s TYR 333 Cb 0.05 -2.26 0.04 0.00 0.38 0.00 0.00 41.96 40.18 3jwy s TYR 333 CO -0.11 0.08 1.41 0.00 -1.52 0.00 0.00 175.55 175.41 3jwy h ALA 334 N 1.64 0.58 -3.12 9.51 0.00 -1.37 -3.45 119.26 123.05 3jwy h ALA 334 Ca -0.47 -0.68 -0.69 0.00 0.00 0.00 0.00 54.91 53.06 3jwy h ALA 334 Cb 1.19 -0.08 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 3jwy h ALA 334 CO 0.66 0.87 -0.61 -1.17 0.00 0.00 0.00 179.25 179.00 3jwy s LEU 335 N -7.55 4.19 -0.45 0.00 2.96 -1.26 -4.51 118.68 112.06 3jwy s LEU 335 Ca -0.03 -1.03 -0.23 0.00 -0.22 0.00 0.00 54.13 52.62 3jwy s LEU 335 Cb 0.10 -1.87 0.03 0.00 0.50 0.00 0.00 46.19 44.95 3jwy s LEU 335 CO 0.82 -0.29 0.75 -2.16 -1.32 0.00 0.00 176.35 174.16 3jwy s PRO 336 N 1.43 3.37 -0.29 0.98 0.04 -1.26 -4.70 135.00 134.56 3jwy s PRO 336 Ca -0.01 -0.17 0.00 0.00 0.04 0.00 0.00 61.00 60.86 3jwy s PRO 336 Cb -0.19 -3.94 0.09 0.00 0.04 0.00 0.00 34.50 30.50 3jwy s PRO 336 CO 0.03 -1.10 0.05 0.00 0.04 0.00 0.00 177.00 176.02 3jwy s ALA 337 N 3.19 1.87 0.10 8.56 0.00 -1.26 -3.17 121.76 131.05 3jwy s ALA 337 Ca 0.28 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.23 3jwy s ALA 337 Cb -0.13 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 3jwy s ALA 337 CO 0.22 -1.54 1.04 0.08 0.00 0.00 0.00 175.76 175.56 3jwy s VAL 338 N 1.44 4.34 0.00 0.00 1.01 0.82 -1.44 120.40 126.57 3jwy s VAL 338 Ca 0.06 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.90 3jwy s VAL 338 Cb -0.18 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.01 3jwy s VAL 338 CO -0.16 0.25 0.20 -1.54 0.00 0.00 0.00 175.10 173.84 3jwy n SER 339 N 3.06 0.39 -0.19 3.32 3.41 -0.20 -1.13 113.62 122.28 3jwy n SER 339 Ca 0.04 -0.85 0.04 0.00 -0.26 0.00 0.00 58.87 57.85 3jwy n SER 339 Cb 0.48 0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.62 3jwy n SER 339 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jwy n ASN 340 N -0.10 2.40 -4.93 4.04 2.04 -1.24 -4.40 115.26 113.07 3jwy n ASN 340 Ca 0.00 -2.39 -0.26 0.00 -0.44 0.00 0.00 54.58 51.49 3jwy n ASN 340 Cb 0.10 -0.20 -0.02 0.00 -2.53 0.00 0.00 39.78 37.13 3jwy n ASN 340 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jwy s MET 341 N -1.68 3.53 -0.15 -3.83 -1.94 -1.26 -4.42 119.30 109.55 3jwy s MET 341 Ca 0.16 -0.21 -0.06 0.00 -1.71 0.00 0.00 55.69 53.87 3jwy s MET 341 Cb 0.13 -2.66 -0.04 0.00 2.01 0.00 0.00 34.83 34.27 3jwy s MET 341 CO 0.04 0.17 0.05 -1.17 -0.01 0.00 0.00 175.02 174.10 3jwy s LEU 342 N -4.02 3.79 -0.27 -0.03 0.20 0.52 -4.31 118.68 114.55 3jwy s LEU 342 Ca 0.41 0.12 -0.10 0.00 0.69 0.00 0.00 54.13 55.26 3jwy s LEU 342 Cb -0.10 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 3jwy s LEU 342 CO 0.34 0.24 0.15 -0.22 -0.29 0.00 0.00 176.35 176.57 3jwy s LEU 343 N -0.06 3.82 -0.22 -0.68 2.96 -0.04 -0.62 118.68 123.84 3jwy s LEU 343 Ca 0.06 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 3jwy s LEU 343 Cb -0.12 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 3jwy s LEU 343 CO 0.01 -0.04 0.03 -0.70 -1.32 0.00 0.00 176.35 174.33 3jwy s GLU 344 N 1.65 3.61 -0.08 1.98 -6.30 0.20 0.16 118.70 119.94 3jwy s GLU 344 Ca 0.07 -0.51 -0.01 0.00 -2.50 0.00 0.00 54.97 52.01 3jwy s GLU 344 Cb -0.16 -3.18 0.03 0.00 0.00 0.00 0.00 34.13 30.82 3jwy s GLU 344 CO 0.08 -0.10 0.00 0.42 0.02 0.00 0.00 175.26 175.68 3jwy s ILE 345 N 1.32 0.39 -1.49 -3.70 1.01 -0.06 -1.76 121.20 116.91 3jwy s ILE 345 Ca 0.04 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.73 3jwy s ILE 345 Cb -0.15 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.79 3jwy s ILE 345 CO 0.02 0.25 0.60 0.61 0.00 0.00 0.00 174.94 176.41 3jwy n GLY 346 N 5.14 -0.52 3.02 6.18 0.00 -1.26 -0.95 105.19 116.80 3jwy n GLY 346 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3jwy n GLY 346 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwy n GLY 347 N -1.45 2.82 3.79 -0.02 0.00 -1.26 -3.42 105.19 105.64 3jwy n GLY 347 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3jwy n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwy s LEU 348 N 0.00 4.31 -0.10 0.99 1.43 -0.12 -5.03 118.68 120.15 3jwy s LEU 348 Ca 0.00 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 3jwy s LEU 348 Cb 0.00 -3.98 0.01 0.00 0.03 0.00 0.00 46.19 42.25 3jwy s LEU 348 CO 0.00 -0.07 -0.20 -1.61 0.23 0.00 0.00 176.35 174.70 3jwy s GLU 349 N -2.13 2.67 -0.41 1.70 2.02 -1.26 -0.88 118.70 120.41 3jwy s GLU 349 Ca 0.50 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.71 3jwy s GLU 349 Cb -0.17 -2.11 0.11 0.00 0.10 0.00 0.00 34.13 32.05 3jwy s GLU 349 CO 0.22 0.07 0.21 -0.06 0.02 0.00 0.00 175.26 175.73 3jwy s PHE 350 N 0.61 3.53 -0.13 1.61 0.40 0.12 -0.67 117.98 123.46 3jwy s PHE 350 Ca -0.14 -2.25 0.29 0.00 -0.60 0.00 0.00 56.93 54.23 3jwy s PHE 350 Cb -0.17 -3.17 0.91 0.00 0.51 0.00 0.00 43.02 41.11 3jwy s PHE 350 CO 0.04 -0.96 1.82 0.66 0.70 0.00 0.00 175.22 177.48 3jwy h SER 351 N 8.12 0.00 -3.55 1.36 4.64 -1.80 -0.07 113.55 122.25 3jwy h SER 351 Ca -0.15 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.57 3jwy h SER 351 Cb 1.05 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.76 3jwy h SER 351 CO 0.71 0.01 -0.79 0.00 -0.87 0.00 0.00 176.83 175.89 3jwy s ALA 352 N -3.47 1.80 -0.46 5.18 0.00 -1.23 -4.67 121.76 118.91 3jwy s ALA 352 Ca 0.04 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.85 3jwy s ALA 352 Cb 0.07 -1.36 0.27 0.00 0.00 0.00 0.00 23.12 22.10 3jwy s ALA 352 CO 0.60 -1.12 0.88 0.00 0.00 0.00 0.00 175.76 176.12 3jwy n ALA 353 N 4.74 -0.52 -1.77 0.00 0.00 -1.26 -1.28 120.51 120.43 3jwy n ALA 353 Ca -0.12 -1.82 -0.39 0.00 0.00 0.00 0.00 53.44 51.11 3jwy n ALA 353 Cb 0.45 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 3jwy n ALA 353 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3jwy s PRO 354 N 0.15 4.08 0.02 0.00 0.04 -1.10 -4.74 135.00 133.44 3jwy s PRO 354 Ca 0.31 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.35 3jwy s PRO 354 Cb 0.24 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 3jwy s PRO 354 CO -0.17 -0.35 -0.02 -0.59 0.04 0.00 0.00 177.00 175.91 3jwy s PHE 355 N -1.31 0.21 0.02 0.56 -0.12 -0.29 -1.65 117.98 115.40 3jwy s PHE 355 Ca 0.56 -0.43 -0.09 0.00 -0.05 0.00 0.00 56.93 56.92 3jwy s PHE 355 Cb -0.35 -0.15 0.00 0.00 -0.63 0.00 0.00 43.02 41.89 3jwy s PHE 355 CO 0.44 -0.17 0.17 -1.54 -0.05 0.00 0.00 175.22 174.08 3jwy s SER 356 N -1.23 0.01 0.00 1.98 1.04 -0.22 -0.12 113.70 115.16 3jwy s SER 356 Ca -0.13 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3jwy s SER 356 Cb -0.08 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3jwy s SER 356 CO -0.01 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3jwy n GLY 357 N 1.12 4.07 3.20 7.32 0.00 -1.19 -1.21 105.19 118.51 3jwy n GLY 357 Ca -0.21 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 3jwy n GLY 357 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jwy s TRP 358 N 3.45 1.04 0.49 1.61 -2.14 -1.26 -4.42 118.94 117.70 3jwy s TRP 358 Ca 0.00 -0.87 -0.21 0.00 2.66 0.00 0.00 56.10 57.68 3jwy s TRP 358 Cb 0.00 -0.57 -0.08 0.00 -3.10 0.00 0.00 33.47 29.72 3jwy s TRP 358 CO 0.00 -0.08 1.08 0.71 -2.66 0.00 0.00 176.95 176.00 3jwy s TYR 359 N -3.53 2.94 -0.18 1.66 2.02 -1.26 -4.91 117.35 114.08 3jwy s TYR 359 Ca 0.14 1.57 -0.10 0.00 -0.37 0.00 0.00 57.07 58.32 3jwy s TYR 359 Cb 0.04 -3.17 -0.05 0.00 -0.40 0.00 0.00 41.96 38.39 3jwy s TYR 359 CO -0.02 -1.07 0.14 1.41 -1.57 0.00 0.00 175.55 174.44 3jwy s MET 360 N -3.08 4.02 0.50 -0.62 -2.45 -1.26 -2.04 119.30 114.36 3jwy s MET 360 Ca 0.67 -0.18 0.22 0.00 -1.25 0.00 0.00 55.69 55.15 3jwy s MET 360 Cb -0.20 -3.37 1.30 0.00 1.25 0.00 0.00 34.83 33.81 3jwy s MET 360 CO 0.24 0.41 1.99 0.66 1.05 0.00 0.00 175.02 179.37 3jwy h SER 361 N 6.27 0.10 0.46 1.11 4.64 -1.27 -0.59 113.55 124.28 3jwy h SER 361 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3jwy h SER 361 Cb 1.17 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3jwy h SER 361 CO 0.72 0.06 -0.14 0.71 -0.87 0.00 0.00 176.83 177.30 3jwy h THR 362 N 0.11 0.57 -0.64 2.95 1.35 -1.95 -0.29 112.91 115.02 3jwy h THR 362 Ca 0.26 -0.64 0.01 0.00 -0.55 0.00 0.00 66.41 65.49 3jwy h THR 362 Cb 0.89 1.42 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 3jwy h THR 362 CO -0.03 0.14 0.42 -0.33 -0.25 0.00 0.00 175.52 175.46 3jwy h GLU 363 N 0.00 0.82 0.00 4.72 5.08 -1.51 -0.82 114.58 122.87 3jwy h GLU 363 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3jwy h GLU 363 Cb 0.41 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3jwy h GLU 363 CO 0.02 0.54 -0.23 0.82 -1.00 0.00 0.00 179.01 179.15 3jwy h ILE 364 N 0.84 0.91 -0.26 3.13 2.04 -1.65 0.48 117.51 123.00 3jwy h ILE 364 Ca 0.24 -1.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.22 3jwy h ILE 364 Cb -0.07 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3jwy h ILE 364 CO -0.07 0.31 -0.37 1.23 0.00 0.00 0.00 178.15 179.26 3jwy h GLY 365 N -1.00 0.62 0.00 5.37 0.00 -1.09 -1.03 103.07 105.95 3jwy h GLY 365 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3jwy h GLY 365 CO -0.03 0.54 -0.60 2.41 0.00 0.00 0.00 176.54 178.86 3jwy n THR 366 N -4.05 0.91 0.17 4.70 -1.04 -0.38 -4.17 114.28 110.42 3jwy n THR 366 Ca -0.01 0.28 -0.11 0.00 -2.04 0.00 0.00 64.05 62.17 3jwy n THR 366 Cb 0.49 -2.01 -0.06 0.00 -1.82 0.00 0.00 70.33 66.93 3jwy n THR 366 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3jwy h ARG 367 N -0.60 -0.47 -0.61 -2.82 2.47 -1.38 -1.04 114.38 109.92 3jwy h ARG 367 Ca 0.00 0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 3jwy h ARG 367 Cb 0.60 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.01 3jwy h ARG 367 CO 0.00 -0.17 0.10 -0.91 0.56 0.00 0.00 179.97 179.55 3jwy h ASN 368 N -0.99 0.98 0.37 7.04 2.35 -0.84 -2.08 115.58 122.41 3jwy h ASN 368 Ca -0.05 -0.26 -0.29 0.00 -0.55 0.00 0.00 56.30 55.15 3jwy h ASN 368 Cb 0.51 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3jwy h ASN 368 CO 0.08 0.99 -1.86 0.18 -1.65 0.00 0.00 177.43 175.17 3jwy n LEU 369 N -4.28 0.61 -0.01 1.61 4.77 -0.40 -2.43 117.00 116.87 3jwy n LEU 369 Ca 0.03 0.29 0.09 0.00 -0.03 0.00 0.00 56.01 56.39 3jwy n LEU 369 Cb 0.28 0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 3jwy n LEU 369 CO 0.42 0.38 -0.67 0.00 -1.33 0.00 0.00 177.39 176.19 3jwy n ASP 371 N -2.06 1.78 0.24 0.00 9.92 -0.78 -4.51 116.55 121.14 3jwy n ASP 371 Ca -0.03 1.19 0.12 0.00 -0.53 0.00 0.00 54.79 55.54 3jwy n ASP 371 Cb 0.44 -1.35 0.55 0.00 -0.64 0.00 0.00 41.12 40.12 3jwy n ASP 371 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 3jwy h PRO 372 N 2.25 0.00 -0.64 -0.24 0.11 -1.94 -1.66 132.00 129.88 3jwy h PRO 372 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3jwy h PRO 372 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3jwy h PRO 372 CO 0.62 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 176.17 3jwy n HIS 373 N -3.33 1.38 0.00 0.65 1.44 -1.26 -4.71 115.22 109.39 3jwy n HIS 373 Ca 0.00 -0.53 0.00 0.00 -2.01 0.00 0.00 57.72 55.18 3jwy n HIS 373 Cb 0.38 -0.26 0.00 0.00 0.12 0.00 0.00 29.99 30.23 3jwy n HIS 373 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3jwy n ARG 374 N 0.89 1.38 0.26 -1.40 5.12 -0.65 -4.33 116.66 117.93 3jwy n ARG 374 Ca 0.23 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.29 3jwy n ARG 374 Cb 0.83 0.00 0.65 0.00 -1.16 0.00 0.00 32.46 32.78 3jwy n ARG 374 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jwy h TYR 375 N 0.00 0.00 -6.25 -1.55 -1.99 -1.63 -3.42 116.97 102.13 3jwy h TYR 375 Ca 0.00 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.28 3jwy h TYR 375 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 3jwy h TYR 375 CO 0.00 0.10 -0.87 -1.71 -0.00 0.00 0.00 178.16 175.68 3jwy n ASN 376 N -3.29 -1.66 -0.55 3.88 4.05 -0.48 -4.87 115.26 112.33 3jwy n ASN 376 Ca -0.00 -0.92 0.13 0.00 0.45 0.00 0.00 54.58 54.23 3jwy n ASN 376 Cb 0.32 -3.58 0.35 0.00 1.23 0.00 0.00 39.78 38.11 3jwy n ASN 376 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jwy n ILE 377 N -4.28 0.00 -0.07 -1.44 -5.35 -0.33 -4.57 119.36 103.32 3jwy n ILE 377 Ca -0.26 -0.29 -0.07 0.00 -0.27 0.00 0.00 62.75 61.86 3jwy n ILE 377 Cb 0.67 0.79 -0.01 0.00 -1.74 0.00 0.00 39.64 39.35 3jwy n ILE 377 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3jwy h LEU 378 N 2.72 -0.61 -0.41 7.28 5.85 -1.86 -1.28 115.31 127.01 3jwy h LEU 378 Ca 0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3jwy h LEU 378 Cb 0.64 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3jwy h LEU 378 CO 0.00 -0.22 0.21 -0.08 -0.34 0.00 0.00 178.44 178.01 3jwy h GLU 379 N -0.15 0.57 -0.13 1.25 4.81 -1.98 0.17 114.58 119.13 3jwy h GLU 379 Ca 0.16 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3jwy h GLU 379 Cb 0.39 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 3jwy h GLU 379 CO -0.39 0.48 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.76 3jwy h ASP 380 N 0.52 -0.55 -0.61 1.04 3.32 -1.72 0.70 116.42 119.12 3jwy h ASP 380 Ca 0.14 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3jwy h ASP 380 Cb 0.09 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3jwy h ASP 380 CO -0.02 -0.23 0.35 0.58 -1.72 0.00 0.00 179.24 178.20 3jwy h VAL 381 N -0.22 1.19 -0.56 -1.35 2.07 -1.06 -1.08 116.25 115.23 3jwy h VAL 381 Ca 0.10 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3jwy h VAL 381 Cb 0.36 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3jwy h VAL 381 CO -0.26 0.20 0.35 0.00 0.02 0.00 0.00 177.57 177.88 3jwy h ALA 382 N 1.17 0.72 -0.51 1.67 0.00 -0.42 -0.09 119.26 121.80 3jwy h ALA 382 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3jwy h ALA 382 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3jwy h ALA 382 CO -0.04 0.19 0.14 0.28 0.00 0.00 0.00 179.25 179.82 3jwy h VAL 383 N 0.76 1.24 -0.78 0.00 2.07 -0.66 -0.70 116.25 118.17 3jwy h VAL 383 Ca 0.20 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3jwy h VAL 383 Cb -0.03 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3jwy h VAL 383 CO -0.04 0.30 0.51 0.00 0.02 0.00 0.00 177.57 178.36 3jwy n MET 385 N -4.49 0.40 -3.54 0.00 2.81 -0.08 -4.90 117.12 107.32 3jwy n MET 385 Ca 0.12 0.02 -0.23 0.00 -1.81 0.00 0.00 57.70 55.79 3jwy n MET 385 Cb 0.24 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.32 3jwy n MET 385 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jwy n ASP 386 N -1.29 -6.29 -4.91 7.83 2.03 0.17 -5.01 116.55 109.08 3jwy n ASP 386 Ca 0.13 -0.51 -0.27 0.00 0.52 0.00 0.00 54.79 54.66 3jwy n ASP 386 Cb 0.23 -4.93 0.05 0.00 -0.72 0.00 0.00 41.12 35.76 3jwy n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jwy s LEU 387 N -7.13 2.95 -0.53 -2.67 1.43 -0.38 -5.01 118.68 107.35 3jwy s LEU 387 Ca 0.56 0.71 -0.22 0.00 -1.03 0.00 0.00 54.13 54.15 3jwy s LEU 387 Cb -0.25 -3.44 0.05 0.00 0.03 0.00 0.00 46.19 42.58 3jwy s LEU 387 CO 0.69 -1.39 0.80 -0.62 0.23 0.00 0.00 176.35 176.07 3jwy s ASP 388 N -4.42 6.30 0.00 2.29 2.15 -1.26 -4.75 116.67 116.98 3jwy s ASP 388 Ca 0.58 -0.55 0.25 0.00 0.43 0.00 0.00 52.55 53.25 3jwy s ASP 388 Cb -0.11 -2.37 1.01 0.00 -0.30 0.00 0.00 42.92 41.15 3jwy s ASP 388 CO 0.47 -1.07 1.70 0.41 -0.17 0.00 0.00 175.17 176.51 3jwy n THR 389 N 5.96 0.09 0.22 1.71 -1.04 -1.26 -4.12 114.28 115.83 3jwy n THR 389 Ca -0.02 -0.25 0.07 0.00 -2.04 0.00 0.00 64.05 61.82 3jwy n THR 389 Cb 0.47 0.29 0.49 0.00 -1.82 0.00 0.00 70.33 69.76 3jwy n THR 389 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3jwy h ARG 390 N 1.89 0.00 -3.62 -2.82 3.08 -2.05 -3.45 114.38 107.42 3jwy h ARG 390 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3jwy h ARG 390 Cb 0.41 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.24 3jwy h ARG 390 CO 0.00 0.27 -0.56 -0.08 -1.07 0.00 0.00 179.97 178.53 3jwy s THR 391 N -4.00 0.08 0.25 2.04 -1.32 -1.26 -5.04 115.64 106.38 3jwy s THR 391 Ca -0.02 -0.62 -0.02 0.00 -1.21 0.00 0.00 61.69 59.82 3jwy s THR 391 Cb 0.13 -0.34 0.07 0.00 -1.51 0.00 0.00 72.50 70.84 3jwy s THR 391 CO 0.66 -0.34 1.70 0.71 -2.21 0.00 0.00 174.62 175.13 3jwy h THR 392 N 4.48 1.26 0.00 5.08 1.35 -1.90 -3.27 112.91 119.91 3jwy h THR 392 Ca -0.30 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3jwy h THR 392 Cb 1.20 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3jwy h THR 392 CO 0.41 0.40 0.00 0.77 -0.25 0.00 0.00 175.52 176.85 3jwy h SER 393 N 0.63 0.00 0.49 5.36 4.64 -1.96 -0.21 113.55 122.51 3jwy h SER 393 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3jwy h SER 393 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3jwy h SER 393 CO 0.04 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.46 3jwy n SER 394 N -2.45 0.00 -3.43 4.97 3.41 -1.23 -4.91 113.62 109.97 3jwy n SER 394 Ca 0.01 0.29 -0.25 0.00 -0.26 0.00 0.00 58.87 58.66 3jwy n SER 394 Cb 0.22 -0.40 0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3jwy n SER 394 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwy n LEU 395 N -1.40 -2.42 0.07 1.04 4.77 -0.09 -4.87 117.00 114.09 3jwy n LEU 395 Ca 0.06 -0.48 0.01 0.00 -0.03 0.00 0.00 56.01 55.57 3jwy n LEU 395 Cb 0.18 -2.64 0.34 0.00 -2.33 0.00 0.00 43.42 38.98 3jwy n LEU 395 CO 0.15 0.33 0.90 4.11 -1.33 0.00 0.00 177.39 181.55 3jwy h TRP 396 N -1.64 0.38 -0.17 -1.77 5.08 -1.84 -1.47 115.95 114.52 3jwy h TRP 396 Ca -0.52 -0.04 -0.04 0.00 1.08 0.00 0.00 58.89 59.37 3jwy h TRP 396 Cb 1.35 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 27.40 3jwy h TRP 396 CO 0.58 0.45 -0.03 0.87 -1.28 0.00 0.00 178.44 179.03 3jwy h LYS 397 N 0.34 0.32 -0.74 0.12 1.57 -1.89 -1.31 116.57 114.99 3jwy h LYS 397 Ca 0.07 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3jwy h LYS 397 Cb 0.38 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3jwy h LYS 397 CO 0.02 0.58 0.44 -0.44 -0.57 0.00 0.00 179.45 179.48 3jwy h ASP 398 N 0.04 0.89 -0.10 0.86 5.19 -1.91 -0.43 116.42 120.96 3jwy h ASP 398 Ca 0.04 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3jwy h ASP 398 Cb 0.46 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.74 3jwy h ASP 398 CO 0.02 0.70 0.00 0.11 -3.12 0.00 0.00 179.24 176.95 3jwy h LYS 399 N 1.01 0.17 -0.61 3.56 1.57 -1.21 -2.32 116.57 118.74 3jwy h LYS 399 Ca 0.26 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3jwy h LYS 399 Cb -0.02 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3jwy h LYS 399 CO -0.05 0.41 0.29 0.00 -0.57 0.00 0.00 179.45 179.53 3jwy h ALA 400 N 0.75 0.79 -0.68 3.86 0.00 -1.16 -2.91 119.26 119.92 3jwy h ALA 400 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3jwy h ALA 400 Cb 0.33 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3jwy h ALA 400 CO 0.00 0.37 0.38 0.00 0.00 0.00 0.00 179.25 180.00 3jwy h ALA 401 N 1.12 0.91 -0.57 0.00 0.00 -0.93 -1.74 119.26 118.04 3jwy h ALA 401 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3jwy h ALA 401 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3jwy h ALA 401 CO -0.02 0.05 0.37 0.28 0.00 0.00 0.00 179.25 179.92 3jwy h VAL 402 N 0.69 1.15 -0.19 0.00 2.07 -1.27 -1.44 116.25 117.27 3jwy h VAL 402 Ca 0.30 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3jwy h VAL 402 Cb 0.20 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3jwy h VAL 402 CO -0.19 0.15 -0.24 -0.33 0.02 0.00 0.00 177.57 176.98 3jwy h GLU 403 N 0.77 0.35 -0.23 1.57 4.39 -1.25 0.10 114.58 120.27 3jwy h GLU 403 Ca 0.21 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 3jwy h GLU 403 Cb -0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3jwy h GLU 403 CO -0.04 0.57 -0.10 0.82 -1.16 0.00 0.00 179.01 179.10 3jwy h ILE 404 N 0.31 1.30 -0.94 3.13 2.04 -0.97 0.37 117.51 122.76 3jwy h ILE 404 Ca 0.05 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 3jwy h ILE 404 Cb 0.60 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 3jwy h ILE 404 CO 0.04 0.36 0.56 0.78 0.00 0.00 0.00 178.15 179.89 3jwy h ASN 405 N 0.19 1.13 -0.12 1.72 4.21 -1.08 -1.95 115.58 119.70 3jwy h ASN 405 Ca 0.05 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3jwy h ASN 405 Cb 0.59 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 3jwy h ASN 405 CO 0.03 0.87 0.08 0.25 -1.29 0.00 0.00 177.43 177.37 3jwy h LEU 406 N 1.30 0.14 -0.79 1.61 5.85 -0.74 -1.96 115.31 120.71 3jwy h LEU 406 Ca 0.34 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.14 3jwy h LEU 406 Cb -0.05 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 3jwy h LEU 406 CO -0.06 0.12 0.43 0.00 -0.34 0.00 0.00 178.44 178.59 3jwy h ALA 407 N 1.03 1.13 0.00 1.25 0.00 -0.62 0.41 119.26 122.46 3jwy h ALA 407 Ca 0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jwy h ALA 407 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3jwy h ALA 407 CO -0.01 0.03 -0.00 0.28 0.00 0.00 0.00 179.25 179.55 3jwy h VAL 408 N 0.71 1.05 0.45 0.00 2.07 -1.13 0.10 116.25 119.51 3jwy h VAL 408 Ca 0.39 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 3jwy h VAL 408 Cb 0.40 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3jwy h VAL 408 CO -0.27 0.04 -0.27 -0.07 0.02 0.00 0.00 177.57 177.02 3jwy h LEU 409 N -0.07 -0.67 -0.37 2.57 3.38 -0.74 -1.52 115.31 117.88 3jwy h LEU 409 Ca -0.00 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3jwy h LEU 409 Cb 0.07 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.94 3jwy h LEU 409 CO 0.00 -0.43 -0.15 -0.74 0.09 0.00 0.00 178.44 177.21 3jwy h HIS 410 N -0.68 -0.35 -0.21 1.13 2.76 -0.92 -1.08 115.15 115.79 3jwy h HIS 410 Ca -0.05 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 3jwy h HIS 410 Cb 0.56 0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.72 3jwy h HIS 410 CO -0.09 -0.22 0.11 0.77 -1.30 0.00 0.00 177.93 177.19 3jwy h SER 411 N -0.08 0.27 -0.75 3.26 0.02 -0.61 0.22 113.55 115.88 3jwy h SER 411 Ca 0.18 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3jwy h SER 411 Cb 0.36 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3jwy h SER 411 CO -0.42 0.30 0.46 -0.26 -1.14 0.00 0.00 176.83 175.77 3jwy h PHE 412 N 0.22 0.97 -0.73 3.45 -1.00 -1.16 -0.25 116.94 118.45 3jwy h PHE 412 Ca 0.07 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 3jwy h PHE 412 Cb 0.10 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.31 3jwy h PHE 412 CO -0.03 0.65 0.20 1.96 -1.61 0.00 0.00 178.31 179.48 3jwy h GLN 413 N 1.02 1.15 -0.75 1.51 4.20 -0.82 -0.64 115.11 120.78 3jwy h GLN 413 Ca 0.27 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3jwy h GLN 413 Cb -0.05 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 3jwy h GLN 413 CO -0.05 1.00 0.24 1.25 -0.67 0.00 0.00 178.83 180.60 3jwy h LEU 414 N 1.10 1.09 -0.44 1.46 5.85 -0.11 -2.91 115.31 121.35 3jwy h LEU 414 Ca 0.23 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3jwy h LEU 414 Cb 0.35 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3jwy h LEU 414 CO -0.00 1.01 -0.02 0.00 -0.34 0.00 0.00 178.44 179.08 3jwy n ALA 415 N -2.44 2.66 -3.29 1.25 0.00 -0.15 -4.93 120.51 113.61 3jwy n ALA 415 Ca 0.06 -0.31 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 3jwy n ALA 415 Cb 0.23 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.40 3jwy n ALA 415 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3jwy n LYS 416 N -0.52 -6.01 -4.95 0.00 4.76 -0.43 -4.97 118.16 106.04 3jwy n LYS 416 Ca 0.20 0.67 -0.33 0.00 -2.87 0.00 0.00 58.31 55.99 3jwy n LYS 416 Cb 0.24 -5.21 -0.15 0.00 -1.84 0.00 0.00 35.03 28.07 3jwy n LYS 416 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3jwy s VAL 417 N -3.27 2.66 0.11 -0.18 1.01 -0.38 -4.29 120.40 116.07 3jwy s VAL 417 Ca 0.30 -0.80 -0.35 0.00 0.00 0.00 0.00 61.98 61.13 3jwy s VAL 417 Cb -0.13 -2.08 -0.15 0.00 0.00 0.00 0.00 36.38 34.02 3jwy s VAL 417 CO 0.58 0.54 1.51 0.41 0.00 0.00 0.00 175.10 178.14 3jwy n THR 418 N 3.49 0.03 -3.66 3.92 -1.04 -0.44 -4.41 114.28 112.17 3jwy n THR 418 Ca -0.18 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 61.68 3jwy n THR 418 Cb 0.53 -1.28 -0.07 0.00 -1.82 0.00 0.00 70.33 67.68 3jwy n THR 418 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jwy s ILE 419 N 0.95 0.04 -0.02 12.58 1.10 -1.26 -4.37 121.20 130.21 3jwy s ILE 419 Ca 0.82 -0.34 0.02 0.00 -0.51 0.00 0.00 60.65 60.64 3jwy s ILE 419 Cb -0.79 -0.85 0.01 0.00 0.15 0.00 0.00 42.46 40.98 3jwy s ILE 419 CO 0.42 -0.19 -0.07 0.54 -2.11 0.00 0.00 174.94 173.54 3jwy s VAL 420 N -1.79 0.62 0.69 4.00 0.11 -0.87 -5.01 120.40 118.15 3jwy s VAL 420 Ca -0.09 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 58.58 3jwy s VAL 420 Cb -0.02 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 3jwy s VAL 420 CO 0.03 0.21 1.08 1.51 -3.33 0.00 0.00 175.10 174.59 3jwy s ASP 421 N 0.29 5.63 0.44 3.54 1.47 -1.26 -0.76 116.67 126.02 3jwy s ASP 421 Ca -0.04 1.22 0.22 0.00 1.18 0.00 0.00 52.55 55.13 3jwy s ASP 421 Cb -0.08 -2.08 1.01 0.00 -0.34 0.00 0.00 42.92 41.42 3jwy s ASP 421 CO 0.00 -1.23 1.89 1.12 0.68 0.00 0.00 175.17 177.63 3jwy h HIS 422 N -0.58 0.00 0.18 2.11 2.07 -1.97 -1.23 115.15 115.73 3jwy h HIS 422 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3jwy h HIS 422 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3jwy h HIS 422 CO 0.54 0.25 -0.08 0.45 -3.07 0.00 0.00 177.93 176.02 3jwy h HIS 423 N 0.00 -0.22 -0.58 6.12 3.86 -1.96 -2.44 115.15 119.94 3jwy h HIS 423 Ca -0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3jwy h HIS 423 Cb 0.62 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 3jwy h HIS 423 CO 0.00 0.17 0.35 0.00 0.86 0.00 0.00 177.93 179.31 3jwy h ALA 424 N 0.01 0.74 -0.40 2.45 0.00 -1.90 -1.68 119.26 118.49 3jwy h ALA 424 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3jwy h ALA 424 Cb 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3jwy h ALA 424 CO 0.04 0.08 0.11 0.00 0.00 0.00 0.00 179.25 179.49 3jwy h ALA 425 N 1.25 0.52 -0.17 0.00 0.00 -1.31 -1.89 119.26 117.66 3jwy h ALA 425 Ca 0.23 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3jwy h ALA 425 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jwy h ALA 425 CO -0.10 0.18 -0.53 1.79 0.00 0.00 0.00 179.25 180.59 3jwy h THR 426 N 0.50 1.33 -0.64 0.00 1.35 -1.33 0.36 112.91 114.48 3jwy h THR 426 Ca 0.13 -1.78 0.02 0.00 -0.55 0.00 0.00 66.41 64.23 3jwy h THR 426 Cb 0.28 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 3jwy h THR 426 CO -0.00 0.55 0.40 0.58 -0.25 0.00 0.00 175.52 176.80 3jwy h VAL 427 N 0.37 1.10 -0.01 6.82 2.07 -1.19 -1.04 116.25 124.37 3jwy h VAL 427 Ca 0.01 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 3jwy h VAL 427 Cb 1.05 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3jwy h VAL 427 CO 0.10 0.15 -0.66 0.77 0.02 0.00 0.00 177.57 177.95 3jwy h SER 428 N 0.80 0.04 -0.64 0.57 4.64 -1.08 -2.82 113.55 115.05 3jwy h SER 428 Ca 0.25 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 3jwy h SER 428 Cb -0.01 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3jwy h SER 428 CO -0.09 0.69 0.31 0.15 -0.87 0.00 0.00 176.83 177.02 3jwy h PHE 429 N 0.03 0.93 -0.89 4.77 3.57 -0.53 -1.54 116.94 123.27 3jwy h PHE 429 Ca -0.01 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.55 3jwy h PHE 429 Cb 1.16 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.54 3jwy h PHE 429 CO 0.00 0.69 0.53 0.52 -2.23 0.00 0.00 178.31 177.83 3jwy h MET 430 N 0.89 0.85 -0.76 1.11 2.86 -1.00 -0.62 114.93 118.26 3jwy h MET 430 Ca 0.22 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3jwy h MET 430 Cb 0.11 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 3jwy h MET 430 CO -0.03 0.57 0.38 -0.22 1.06 0.00 0.00 176.91 178.66 3jwy h LYS 431 N 0.88 1.09 -0.54 1.72 1.63 -1.23 -2.52 116.57 117.59 3jwy h LYS 431 Ca 0.43 -0.15 0.03 0.00 -0.85 0.00 0.00 60.65 60.11 3jwy h LYS 431 Cb 0.39 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3jwy h LYS 431 CO -0.25 0.84 0.31 1.25 -3.45 0.00 0.00 179.45 178.15 3jwy h HIS 432 N 1.07 0.58 -0.78 1.91 2.76 -0.18 0.25 115.15 120.76 3jwy h HIS 432 Ca 0.26 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.53 3jwy h HIS 432 Cb 0.10 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 3jwy h HIS 432 CO 0.01 0.31 0.46 -0.07 -1.30 0.00 0.00 177.93 177.34 3jwy h LEU 433 N 0.61 0.68 -0.10 0.26 3.38 -0.90 0.10 115.31 119.34 3jwy h LEU 433 Ca 0.23 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3jwy h LEU 433 Cb 0.07 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3jwy h LEU 433 CO -0.12 0.42 0.05 -0.78 0.09 0.00 0.00 178.44 178.09 3jwy h ASP 434 N 0.81 0.14 -0.78 -0.43 3.58 -0.97 -0.78 116.42 117.98 3jwy h ASP 434 Ca 0.36 -0.14 0.08 0.00 0.42 0.00 0.00 57.03 57.74 3jwy h ASP 434 Cb 0.25 -0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.20 3jwy h ASP 434 CO -0.21 0.25 0.45 0.78 -2.88 0.00 0.00 179.24 177.63 3jwy h ASN 435 N 0.02 0.65 0.45 2.28 2.35 -0.32 -2.45 115.58 118.57 3jwy h ASN 435 Ca 0.03 0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.64 3jwy h ASN 435 Cb 0.15 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3jwy h ASN 435 CO -0.00 0.39 -0.77 -0.33 -1.65 0.00 0.00 177.43 175.07 3jwy h GLU 436 N 0.78 0.26 0.08 0.81 4.39 -0.71 -1.39 114.58 118.80 3jwy h GLU 436 Ca 0.36 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3jwy h GLU 436 Cb 0.29 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3jwy h GLU 436 CO -0.22 0.91 -0.09 0.37 -1.16 0.00 0.00 179.01 178.82 3jwy h GLN 437 N 0.16 -0.20 -0.44 2.33 5.75 -0.87 0.17 115.11 122.02 3jwy h GLN 437 Ca -0.03 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3jwy h GLN 437 Cb 1.36 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.93 3jwy h GLN 437 CO 0.12 -0.13 0.22 0.87 -2.65 0.00 0.00 178.83 177.27 3jwy h LYS 438 N -0.20 0.62 -0.16 1.69 1.57 -1.33 -0.82 116.57 117.93 3jwy h LYS 438 Ca 0.01 -0.08 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 3jwy h LYS 438 Cb 0.20 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3jwy h LYS 438 CO -0.04 0.51 -0.76 0.00 -0.57 0.00 0.00 179.45 178.60 3jwy h ALA 439 N 1.07 0.30 0.00 3.86 0.00 -1.10 -3.40 119.26 119.99 3jwy h ALA 439 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3jwy h ALA 439 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jwy h ALA 439 CO -0.02 0.66 -0.02 0.54 0.00 0.00 0.00 179.25 180.42 3jwy n ARG 440 N -3.96 2.16 -1.57 0.00 1.74 0.54 -5.03 116.66 110.53 3jwy n ARG 440 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3jwy n ARG 440 Cb 0.74 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 3jwy n ARG 440 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwy n GLY 441 N 0.31 0.42 0.00 -0.13 0.00 -0.31 -4.22 105.19 101.25 3jwy n GLY 441 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3jwy n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwy n GLY 442 N -1.73 -0.00 3.47 -0.02 0.00 -1.19 -1.41 105.19 104.30 3jwy n GLY 442 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.61 3jwy n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwy s PRO 444 N 2.82 4.25 -0.15 0.00 0.04 -1.26 -4.55 135.00 136.14 3jwy s PRO 444 Ca -0.01 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 3jwy s PRO 444 Cb -0.13 -3.31 0.05 0.00 0.04 0.00 0.00 34.50 31.15 3jwy s PRO 444 CO -0.18 -0.58 0.40 0.00 0.04 0.00 0.00 177.00 176.68 3jwy s ALA 445 N 1.55 -0.99 -0.42 8.56 0.00 -0.27 -4.24 121.76 125.95 3jwy s ALA 445 Ca 0.69 1.24 -0.09 0.00 0.00 0.00 0.00 51.96 53.80 3jwy s ALA 445 Cb -0.40 -0.74 0.08 0.00 0.00 0.00 0.00 23.12 22.07 3jwy s ALA 445 CO 0.31 -0.21 0.27 0.34 0.00 0.00 0.00 175.76 176.46 3jwy s ASP 446 N 0.62 5.65 0.25 0.00 -1.08 -0.34 -3.67 116.67 118.10 3jwy s ASP 446 Ca -0.03 -1.53 -0.06 0.00 -0.52 0.00 0.00 52.55 50.41 3jwy s ASP 446 Cb -0.05 -1.99 0.27 0.00 -1.46 0.00 0.00 42.92 39.69 3jwy s ASP 446 CO -0.04 -0.55 1.92 -0.25 0.52 0.00 0.00 175.17 176.78 3jwy h TRP 447 N 8.41 1.25 0.00 -5.34 7.01 -1.92 -0.49 115.95 124.87 3jwy h TRP 447 Ca -0.23 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.76 3jwy h TRP 447 Cb 1.08 -0.42 -0.01 0.00 -2.10 0.00 0.00 29.16 27.71 3jwy h TRP 447 CO 0.61 0.78 -0.19 0.00 -2.79 0.00 0.00 178.44 176.85 3jwy h ALA 448 N 1.37 1.20 0.01 2.65 0.00 -1.93 -1.49 119.26 121.08 3jwy h ALA 448 Ca 0.37 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 3jwy h ALA 448 Cb -0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3jwy h ALA 448 CO -0.09 0.24 -2.04 0.91 0.00 0.00 0.00 179.25 178.28 3jwy n TRP 449 N -3.62 0.61 -0.08 0.00 7.02 -0.43 -4.40 117.44 116.55 3jwy n TRP 449 Ca -0.01 0.20 -0.15 0.00 -1.02 0.00 0.00 57.50 56.52 3jwy n TRP 449 Cb 0.33 -1.11 -0.05 0.00 -2.42 0.00 0.00 31.31 28.06 3jwy n TRP 449 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jwy h ILE 450 N 0.01 1.29 -3.00 -0.99 1.08 -0.87 -3.43 117.51 111.59 3jwy h ILE 450 Ca -0.41 -1.69 -0.54 0.00 -0.39 0.00 0.00 64.86 61.83 3jwy h ILE 450 Cb 2.09 1.68 0.00 0.00 -3.07 0.00 0.00 36.82 37.52 3jwy h ILE 450 CO 0.05 0.54 0.74 -0.69 -0.69 0.00 0.00 178.15 178.11 3jwy s VAL 451 N -4.13 3.71 0.84 1.67 1.01 -0.58 -4.96 120.40 117.96 3jwy s VAL 451 Ca -0.11 1.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 3jwy s VAL 451 Cb 0.09 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.82 3jwy s VAL 451 CO 0.87 0.04 1.11 -2.84 0.00 0.00 0.00 175.10 174.28 3jwy s PRO 452 N 1.80 1.71 0.00 2.72 0.02 -1.26 -4.91 135.00 135.08 3jwy s PRO 452 Ca 0.62 1.27 0.29 0.00 0.02 0.00 0.00 61.00 63.20 3jwy s PRO 452 Cb -0.32 -1.83 1.25 0.00 0.02 0.00 0.00 34.50 33.62 3jwy s PRO 452 CO 0.28 -2.06 1.90 -0.35 -0.33 0.00 0.00 177.00 176.44 3jwy n PRO 453 N -3.81 0.24 -4.25 5.54 -0.04 -1.26 -4.17 135.00 127.25 3jwy n PRO 453 Ca 0.10 -0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 3jwy n PRO 453 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3jwy n PRO 453 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3jwy s ILE 454 N -2.78 1.48 -1.47 0.52 -4.36 -1.26 -4.90 121.20 108.43 3jwy s ILE 454 Ca 0.21 -1.57 -0.08 0.00 -0.26 0.00 0.00 60.65 58.95 3jwy s ILE 454 Cb 0.19 -1.46 0.02 0.00 1.25 0.00 0.00 42.46 42.47 3jwy s ILE 454 CO 0.52 -0.22 0.79 -1.20 0.24 0.00 0.00 174.94 175.07 3jwy n SER 455 N 0.90 -5.76 -0.16 4.36 7.64 -1.26 -4.91 113.62 114.43 3jwy n SER 455 Ca -0.18 -0.42 -0.10 0.00 1.01 0.00 0.00 58.87 59.17 3jwy n SER 455 Cb 0.55 -4.62 -0.08 0.00 -1.01 0.00 0.00 64.21 59.05 3jwy n SER 455 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3jwy h GLY 456 N -1.77 -1.22 2.00 0.23 0.00 -1.91 -2.02 103.07 98.38 3jwy h GLY 456 Ca -0.54 0.77 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3jwy h GLY 456 CO 0.58 -0.24 0.00 -1.14 0.00 0.00 0.00 176.54 175.74 3jwy n SER 457 N -4.79 0.04 0.00 0.19 3.41 -1.26 -1.30 113.62 109.91 3jwy n SER 457 Ca -0.02 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.21 3jwy n SER 457 Cb 0.25 -0.52 0.54 0.00 -0.26 0.00 0.00 64.21 64.23 3jwy n SER 457 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwy n LEU 458 N -1.54 0.00 -4.73 1.04 4.32 -0.77 -4.78 117.00 110.54 3jwy n LEU 458 Ca 0.05 0.41 -0.30 0.00 -0.02 0.00 0.00 56.01 56.15 3jwy n LEU 458 Cb 0.27 -0.41 -0.07 0.00 -1.62 0.00 0.00 43.42 41.59 3jwy n LEU 458 CO 0.21 -0.08 -0.30 0.42 -1.22 0.00 0.00 177.39 176.42 3jwy s THR 459 N -2.82 4.29 0.40 -5.08 -4.23 -0.42 -5.03 115.64 102.76 3jwy s THR 459 Ca 0.16 -0.86 0.21 0.00 -1.18 0.00 0.00 61.69 60.02 3jwy s THR 459 Cb 0.16 -3.06 0.22 0.00 1.34 0.00 0.00 72.50 71.16 3jwy s THR 459 CO 0.40 0.13 1.99 1.55 -0.54 0.00 0.00 174.62 178.15 3jwy h PRO 460 N 3.38 0.00 0.00 3.99 0.13 -1.86 -2.87 132.00 134.77 3jwy h PRO 460 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3jwy h PRO 460 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3jwy h PRO 460 CO 0.63 0.19 -0.19 -0.39 -0.23 0.00 0.00 178.00 178.01 3jwy h VAL 461 N 0.00 0.82 -0.81 1.56 -1.51 -1.88 -2.43 116.25 112.00 3jwy h VAL 461 Ca -0.00 -0.73 0.10 0.00 -1.23 0.00 0.00 66.70 64.84 3jwy h VAL 461 Cb 0.42 1.43 -0.06 0.00 -2.13 0.00 0.00 31.29 30.95 3jwy h VAL 461 CO 0.02 0.18 0.53 0.15 -1.23 0.00 0.00 177.57 177.23 3jwy h PHE 462 N 0.00 0.80 -0.23 5.19 3.04 -1.70 -2.26 116.94 121.78 3jwy h PHE 462 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3jwy h PHE 462 Cb 0.42 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.67 3jwy h PHE 462 CO 0.00 0.37 0.00 0.72 -2.02 0.00 0.00 178.31 177.38 3jwy n HIS 463 N -4.51 0.30 -3.79 0.41 -0.00 -0.92 -4.81 115.22 101.90 3jwy n HIS 463 Ca 0.14 -0.15 -0.36 0.00 -0.00 0.00 0.00 57.72 57.35 3jwy n HIS 463 Cb 0.34 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.21 3jwy n HIS 463 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3jwy s GLN 464 N -1.70 3.67 0.55 -0.41 2.00 -0.85 0.21 119.66 123.12 3jwy s GLN 464 Ca 0.34 -0.47 -0.19 0.00 -2.00 0.00 0.00 55.36 53.03 3jwy s GLN 464 Cb 0.19 -3.30 -0.06 0.00 0.80 0.00 0.00 33.01 30.64 3jwy s GLN 464 CO 0.28 -0.15 1.13 -1.21 -0.50 0.00 0.00 175.29 174.83 3jwy s GLU 465 N 1.52 3.33 0.02 1.67 2.02 -0.72 -4.99 118.70 121.54 3jwy s GLU 465 Ca 0.06 1.59 -0.04 0.00 0.02 0.00 0.00 54.97 56.60 3jwy s GLU 465 Cb -0.15 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.07 3jwy s GLU 465 CO 0.03 -0.86 0.05 -1.64 0.02 0.00 0.00 175.26 172.87 3jwy s MET 466 N -3.34 0.43 -0.13 1.61 -1.94 -1.26 -4.75 119.30 109.92 3jwy s MET 466 Ca 0.72 -0.56 0.01 0.00 -1.71 0.00 0.00 55.69 54.15 3jwy s MET 466 Cb -0.23 0.17 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 3jwy s MET 466 CO 0.28 -0.09 -0.15 0.08 -0.01 0.00 0.00 175.02 175.12 3jwy s VAL 467 N -1.65 2.82 -0.14 -6.03 1.01 -1.26 -4.94 120.40 110.22 3jwy s VAL 467 Ca -0.13 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3jwy s VAL 467 Cb -0.07 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3jwy s VAL 467 CO -0.01 0.53 -0.10 0.21 0.00 0.00 0.00 175.10 175.74 3jwy s ASN 468 N 0.43 4.31 0.20 3.32 2.47 -1.24 -1.12 114.94 123.31 3jwy s ASN 468 Ca -0.11 -0.25 -0.24 0.00 0.42 0.00 0.00 52.86 52.68 3jwy s ASN 468 Cb -0.16 -1.66 0.05 0.00 -1.45 0.00 0.00 41.25 38.03 3jwy s ASN 468 CO 0.05 0.17 0.89 -0.72 -3.72 0.00 0.00 177.10 173.77 3jwy s TYR 469 N 0.33 -0.14 -0.28 0.43 1.13 -1.26 -4.96 117.35 112.60 3jwy s TYR 469 Ca -0.08 -0.22 -0.07 0.00 -1.41 0.00 0.00 57.07 55.29 3jwy s TYR 469 Cb -0.15 0.66 -0.01 0.00 -1.10 0.00 0.00 41.96 41.37 3jwy s TYR 469 CO 0.05 -0.96 0.08 0.42 -2.51 0.00 0.00 175.55 172.62 3jwy s ILE 470 N -3.46 4.14 0.20 -3.49 1.01 -1.26 -4.85 121.20 113.50 3jwy s ILE 470 Ca 0.12 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.38 3jwy s ILE 470 Cb -0.03 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3jwy s ILE 470 CO 0.04 0.19 0.07 -0.76 0.00 0.00 0.00 174.94 174.48 3jwy s LEU 471 N 1.55 3.51 -0.00 2.97 1.43 -1.26 -4.04 118.68 122.84 3jwy s LEU 471 Ca 0.04 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3jwy s LEU 471 Cb -0.16 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 3jwy s LEU 471 CO 0.03 0.04 -0.23 -0.55 0.23 0.00 0.00 176.35 175.88 3jwy s SER 472 N -3.28 2.66 0.52 2.29 0.15 -1.26 -4.18 113.70 110.60 3jwy s SER 472 Ca 0.30 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 56.30 3jwy s SER 472 Cb -0.09 -0.28 -0.08 0.00 -1.71 0.00 0.00 66.02 63.86 3jwy s SER 472 CO 0.21 0.26 0.92 -2.65 1.20 0.00 0.00 173.24 173.18 3jwy n PRO 473 N 2.37 1.05 -3.87 5.44 -0.02 -1.26 -5.01 135.00 133.69 3jwy n PRO 473 Ca -0.16 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 3jwy n PRO 473 Cb 0.52 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.86 3jwy n PRO 473 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jwy s ALA 474 N -1.44 -0.32 0.05 3.55 0.00 -0.72 -3.95 121.76 118.93 3jwy s ALA 474 Ca 0.69 -0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 3jwy s ALA 474 Cb -0.48 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 3jwy s ALA 474 CO 0.53 -0.21 0.55 -0.06 0.00 0.00 0.00 175.76 176.57 3jwy s PHE 475 N -1.39 3.78 0.13 0.00 0.08 -1.26 -0.63 117.98 118.69 3jwy s PHE 475 Ca -0.15 1.23 0.03 0.00 0.12 0.00 0.00 56.93 58.17 3jwy s PHE 475 Cb -0.08 -2.49 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 3jwy s PHE 475 CO 0.02 0.57 -0.09 1.03 -0.10 0.00 0.00 175.22 176.64 3jwy s ARG 476 N -0.99 0.97 0.48 0.44 0.52 0.21 -4.97 118.95 115.61 3jwy s ARG 476 Ca 0.29 -1.40 -0.21 0.00 -0.52 0.00 0.00 55.73 53.89 3jwy s ARG 476 Cb -0.19 -0.47 -0.08 0.00 0.52 0.00 0.00 34.95 34.73 3jwy s ARG 476 CO 0.18 0.04 1.06 0.71 0.02 0.00 0.00 175.30 177.31 3jwy s TYR 477 N -3.40 2.98 0.06 -0.53 2.02 -1.26 -0.36 117.35 116.87 3jwy s TYR 477 Ca 0.14 1.58 -0.01 0.00 -0.37 0.00 0.00 57.07 58.42 3jwy s TYR 477 Cb 0.03 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.44 3jwy s TYR 477 CO -0.01 -0.92 -0.02 1.14 -1.57 0.00 0.00 175.55 174.16 3jwy s GLN 478 N -3.14 0.67 0.51 -0.62 -2.07 -1.26 -4.80 119.66 108.95 3jwy s GLN 478 Ca 0.67 -1.26 -0.22 0.00 -1.82 0.00 0.00 55.36 52.73 3jwy s GLN 478 Cb -0.18 0.17 -0.06 0.00 -1.09 0.00 0.00 33.01 31.85 3jwy s GLN 478 CO 0.22 -0.12 1.32 -2.14 -1.32 0.00 0.00 175.29 173.25 3jwy s PRO 479 N -3.93 3.36 0.29 9.60 0.02 -1.26 -4.97 135.00 138.12 3jwy s PRO 479 Ca 0.09 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 62.96 3jwy s PRO 479 Cb 0.08 -2.35 -0.12 0.00 0.02 0.00 0.00 34.50 32.13 3jwy s PRO 479 CO -0.08 -0.99 1.57 -0.25 -0.33 0.00 0.00 177.00 176.92 3jwy n ASP 480 N -0.78 3.75 0.24 2.53 8.00 -1.26 -4.91 116.55 124.12 3jwy n ASP 480 Ca 0.09 1.15 0.16 0.00 0.71 0.00 0.00 54.79 56.90 3jwy n ASP 480 Cb 0.45 -1.58 0.79 0.00 -0.02 0.00 0.00 41.12 40.76 3jwy n ASP 480 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3jwy h PRO 481 N 4.66 0.00 -0.03 -0.24 0.11 -1.93 -3.55 132.00 131.03 3jwy h PRO 481 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jwy h PRO 481 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3jwy h PRO 481 CO 0.78 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.90