#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwm s PHE 76 N 0.00 3.09 -1.01 3.52 0.08 -1.26 -4.97 117.98 117.44 3fwm s PHE 76 Ca 0.00 -0.97 -0.20 0.00 0.12 0.00 0.00 56.93 55.88 3fwm s PHE 76 Cb 0.00 -3.81 -0.09 0.00 -0.57 0.00 0.00 43.02 38.55 3fwm s PHE 76 CO 0.00 -1.14 1.98 0.00 -0.10 0.00 0.00 175.22 175.96 3fwm n ALA 77 N 5.93 3.62 -0.78 5.36 0.00 -1.26 -4.65 120.51 128.74 3fwm n ALA 77 Ca -0.10 -3.44 -0.20 0.00 0.00 0.00 0.00 53.44 49.70 3fwm n ALA 77 Cb 0.42 -3.59 0.12 0.00 0.00 0.00 0.00 19.45 16.40 3fwm n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fwm n VAL 78 N 6.06 2.79 1.35 0.00 0.31 -1.26 -3.90 118.33 123.69 3fwm n VAL 78 Ca 0.49 -1.62 0.13 0.00 -0.01 0.00 0.00 64.34 63.34 3fwm n VAL 78 Cb 0.41 -0.71 0.70 0.00 -0.91 0.00 0.00 33.84 33.34 3fwm n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fwm n LEU 79 N -0.69 0.00 0.13 7.52 -0.00 -1.26 -3.11 117.00 119.58 3fwm n LEU 79 Ca 0.46 0.24 -0.01 0.00 -0.00 0.00 0.00 56.01 56.71 3fwm n LEU 79 Cb 1.27 -0.24 0.09 0.00 -0.00 0.00 0.00 43.42 44.54 3fwm n LEU 79 CO 0.49 -0.03 0.43 0.16 -0.00 0.00 0.00 177.39 178.44 3fwm h ILE 80 N 0.00 1.27 0.00 1.47 -0.00 -1.98 -2.20 117.51 116.08 3fwm h ILE 80 Ca 0.00 -2.39 -0.07 0.00 -0.00 0.00 0.00 64.86 62.40 3fwm h ILE 80 Cb 0.21 2.36 -0.01 0.00 -0.00 0.00 0.00 36.82 39.38 3fwm h ILE 80 CO 0.00 0.64 -0.31 0.00 -0.00 0.00 0.00 178.15 178.48 3fwm h ALA 81 N 1.35 1.19 0.38 0.16 0.00 -1.87 0.24 119.26 120.71 3fwm h ALA 81 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3fwm h ALA 81 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fwm h ALA 81 CO 0.08 0.39 -0.18 0.82 0.00 0.00 0.00 179.25 180.36 3fwm h ILE 82 N 0.00 0.29 0.00 0.00 2.04 -1.63 -1.01 117.51 117.20 3fwm h ILE 82 Ca -0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3fwm h ILE 82 Cb 0.68 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3fwm h ILE 82 CO 0.04 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3fwm n TYR 83 N -5.12 0.00 0.58 1.37 9.36 -0.86 -0.81 117.16 121.67 3fwm n TYR 83 Ca -0.08 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.25 3fwm n TYR 83 Cb 0.26 -0.45 0.02 0.00 -0.63 0.00 0.00 39.34 38.53 3fwm n TYR 83 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fwm n GLY 84 N -1.45 -1.20 0.19 2.98 0.00 0.85 -3.36 105.19 103.19 3fwm n GLY 84 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 3fwm n GLY 84 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fwm n VAL 85 N -1.95 1.14 0.29 1.61 0.31 0.01 -3.99 118.33 115.74 3fwm n VAL 85 Ca 0.02 -0.38 0.11 0.00 -0.01 0.00 0.00 64.34 64.08 3fwm n VAL 85 Cb 0.43 -1.42 0.53 0.00 -0.91 0.00 0.00 33.84 32.47 3fwm n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fwm n TYR 86 N -3.41 0.76 0.01 3.52 4.19 -0.46 -0.77 117.16 121.00 3fwm n TYR 86 Ca -0.37 0.34 -0.18 0.00 3.31 0.00 0.00 57.90 60.99 3fwm n TYR 86 Cb 0.84 -1.05 -0.11 0.00 0.49 0.00 0.00 39.34 39.52 3fwm n TYR 86 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 3fwm h LEU 87 N 0.00 0.66 -1.86 2.98 6.46 -1.74 -3.11 115.31 118.70 3fwm h LEU 87 Ca 0.00 -0.74 0.21 0.00 -0.12 0.00 0.00 57.88 57.23 3fwm h LEU 87 Cb 0.20 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.89 3fwm h LEU 87 CO 0.00 1.32 0.55 -0.78 -0.62 0.00 0.00 178.44 178.90 3fwm h ASP 88 N 0.08 0.12 -0.31 1.25 3.58 -1.08 0.20 116.42 120.25 3fwm h ASP 88 Ca -0.09 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.46 3fwm h ASP 88 Cb 1.42 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 3fwm h ASP 88 CO 0.14 0.05 0.32 -0.61 -2.88 0.00 0.00 179.24 176.26 3fwm h GLN 89 N 0.12 0.00 0.00 0.28 4.15 -1.43 -2.41 115.11 115.82 3fwm h GLN 89 Ca 0.38 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.48 3fwm h GLN 89 Cb 1.32 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.95 3fwm h GLN 89 CO -0.05 0.00 -2.17 1.63 -1.93 0.00 0.00 178.83 176.31 3fwm n LYS 90 N -3.84 0.67 -0.16 1.69 5.02 0.69 -3.17 118.16 119.05 3fwm n LYS 90 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 3fwm n LYS 90 Cb 0.47 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3fwm n LYS 90 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3fwm n ILE 91 N -2.79 0.63 0.06 -0.18 5.41 -0.93 -3.37 119.36 118.19 3fwm n ILE 91 Ca -0.26 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.23 3fwm n ILE 91 Cb 1.08 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 3fwm n ILE 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3fwm n ARG 92 N 0.13 0.00 0.26 0.38 1.74 -1.07 -4.45 116.66 113.65 3fwm n ARG 92 Ca 0.06 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.32 3fwm n ARG 92 Cb 0.46 -0.36 0.88 0.00 -1.02 0.00 0.00 32.46 32.42 3fwm n ARG 92 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3fwm h SER 93 N 0.00 0.00 0.00 0.55 0.02 -1.68 0.56 113.55 113.00 3fwm h SER 93 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3fwm h SER 93 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3fwm h SER 93 CO 0.00 0.00 -0.27 -0.09 -1.14 0.00 0.00 176.83 175.33 3fwm h ARG 94 N 0.00 0.00 0.00 3.45 9.65 -1.85 -3.40 114.38 122.23 3fwm h ARG 94 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3fwm h ARG 94 Cb 0.57 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3fwm h ARG 94 CO -0.00 0.22 -0.29 0.82 2.80 0.00 0.00 179.97 183.52 3fwm h ILE 95 N -1.00 0.00 -1.37 1.20 2.04 -1.70 -3.21 117.51 113.47 3fwm h ILE 95 Ca -0.03 -0.63 -0.73 0.00 1.00 0.00 0.00 64.86 64.47 3fwm h ILE 95 Cb 0.40 1.45 -0.16 0.00 -0.74 0.00 0.00 36.82 37.78 3fwm h ILE 95 CO -0.02 0.00 1.93 0.47 0.00 0.00 0.00 178.15 180.53 3fwm n ASP 96 N -2.42 7.76 0.00 1.72 10.43 0.19 -4.88 116.55 129.36 3fwm n ASP 96 Ca 0.04 -3.27 0.00 0.00 2.57 0.00 0.00 54.79 54.13 3fwm n ASP 96 Cb 0.46 -1.31 0.00 0.00 1.84 0.00 0.00 41.12 42.12 3fwm n ASP 96 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fwm n GLY 97 N 1.25 -0.35 3.55 0.44 0.00 -1.24 -4.83 105.19 104.02 3fwm n GLY 97 Ca 0.58 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3fwm n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwm s LYS 98 N -2.00 2.68 0.11 1.61 1.02 -1.26 -4.80 119.74 117.10 3fwm s LYS 98 Ca 0.00 0.20 -0.16 0.00 0.02 0.00 0.00 55.97 56.03 3fwm s LYS 98 Cb 0.00 -4.62 -0.04 0.00 -0.52 0.00 0.00 37.83 32.64 3fwm s LYS 98 CO 0.00 -2.88 1.55 0.28 -0.92 0.00 0.00 175.35 173.38 3fwm h VAL 99 N 6.94 1.26 -3.91 3.17 2.07 -1.89 -3.46 116.25 120.43 3fwm h VAL 99 Ca -0.13 -0.99 -0.22 0.00 0.82 0.00 0.00 66.70 66.17 3fwm h VAL 99 Cb 1.10 1.22 -0.17 0.00 -1.52 0.00 0.00 31.29 31.92 3fwm h VAL 99 CO 1.23 0.33 -0.71 0.26 0.02 0.00 0.00 177.57 178.70 3fwm s TRP 100 N -4.97 0.76 -0.24 1.57 0.51 -1.26 -5.02 118.94 110.29 3fwm s TRP 100 Ca -0.13 -0.79 -0.29 0.00 -2.12 0.00 0.00 56.10 52.77 3fwm s TRP 100 Cb 0.09 -0.45 -0.02 0.00 -0.81 0.00 0.00 33.47 32.28 3fwm s TRP 100 CO 0.78 -0.16 1.45 -1.14 -0.51 0.00 0.00 176.95 177.37 3fwm s GLN 101 N -3.07 3.92 -0.26 4.98 2.00 -1.26 -4.95 119.66 121.02 3fwm s GLN 101 Ca 0.04 1.53 -0.09 0.00 -2.00 0.00 0.00 55.36 54.83 3fwm s GLN 101 Cb 0.00 -3.94 -0.04 0.00 0.80 0.00 0.00 33.01 29.84 3fwm s GLN 101 CO -0.04 -1.13 0.13 -0.51 -0.50 0.00 0.00 175.29 173.25 3fwm s LEU 102 N 4.59 3.79 0.78 3.68 1.43 -1.26 -4.85 118.68 126.84 3fwm s LEU 102 Ca 0.63 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.53 3fwm s LEU 102 Cb -0.22 -2.03 0.07 0.00 0.03 0.00 0.00 46.19 44.04 3fwm s LEU 102 CO 0.25 -0.02 1.21 -2.16 0.23 0.00 0.00 176.35 175.86 3fwm s PRO 103 N 1.54 1.79 0.29 1.29 0.04 -1.26 -0.89 135.00 137.79 3fwm s PRO 103 Ca 0.06 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 3fwm s PRO 103 Cb -0.15 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 3fwm s PRO 103 CO 0.07 -2.10 1.20 0.00 0.04 0.00 0.00 177.00 176.21 3fwm s ALA 104 N -2.09 3.45 -0.17 8.56 0.00 -1.25 -4.35 121.76 125.92 3fwm s ALA 104 Ca 0.74 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 53.63 3fwm s ALA 104 Cb -0.29 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 3fwm s ALA 104 CO 0.49 -0.39 0.26 0.00 0.00 0.00 0.00 175.76 176.11 3fwm s ALA 105 N -1.02 3.62 -0.23 0.00 0.00 -0.18 -1.25 121.76 122.70 3fwm s ALA 105 Ca 0.47 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 3fwm s ALA 105 Cb -0.36 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 3fwm s ALA 105 CO 0.46 0.12 0.05 0.08 0.00 0.00 0.00 175.76 176.46 3fwm s VAL 106 N 0.40 4.26 0.09 0.00 1.01 0.24 -0.37 120.40 126.03 3fwm s VAL 106 Ca 0.15 -0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3fwm s VAL 106 Cb -0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3fwm s VAL 106 CO 0.03 0.37 -0.13 -0.31 0.00 0.00 0.00 175.10 175.07 3fwm s TYR 107 N 1.33 2.68 0.00 5.22 2.02 0.18 -0.10 117.35 128.68 3fwm s TYR 107 Ca 0.05 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3fwm s TYR 107 Cb -0.15 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.98 3fwm s TYR 107 CO 0.03 0.39 0.00 0.41 -1.57 0.00 0.00 175.55 174.81 3fwm n GLY 108 N 0.92 -1.54 3.80 0.71 0.00 -0.06 -1.11 105.19 107.92 3fwm n GLY 108 Ca -0.14 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 3fwm n GLY 108 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fwm s ARG 109 N -1.37 3.83 -0.37 1.61 1.70 -0.06 -4.12 118.95 120.18 3fwm s ARG 109 Ca 0.00 1.32 -0.13 0.00 -0.47 0.00 0.00 55.73 56.45 3fwm s ARG 109 Cb 0.00 -2.10 0.01 0.00 -0.57 0.00 0.00 34.95 32.29 3fwm s ARG 109 CO 0.00 -0.40 0.24 -1.64 -1.08 0.00 0.00 175.30 172.42 3fwm s MET 110 N -3.29 3.12 -0.05 3.89 -1.94 -1.26 -4.39 119.30 115.39 3fwm s MET 110 Ca 0.66 -0.90 -0.16 0.00 -1.71 0.00 0.00 55.69 53.58 3fwm s MET 110 Cb -0.15 -3.81 -0.05 0.00 2.01 0.00 0.00 34.83 32.83 3fwm s MET 110 CO 0.20 -0.61 0.44 0.08 -0.01 0.00 0.00 175.02 175.12 3fwm s VAL 111 N 1.65 5.08 -0.16 -6.03 1.01 -1.24 -4.96 120.40 115.74 3fwm s VAL 111 Ca 0.04 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 62.86 3fwm s VAL 111 Cb -0.18 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3fwm s VAL 111 CO 0.09 0.47 0.06 0.20 0.00 0.00 0.00 175.10 175.92 3fwm s ASN 112 N -0.36 5.62 -0.02 3.32 0.02 -1.26 -1.13 114.94 121.13 3fwm s ASN 112 Ca 0.25 0.13 -0.03 0.00 -1.02 0.00 0.00 52.86 52.18 3fwm s ASN 112 Cb -0.16 -1.89 -0.04 0.00 0.02 0.00 0.00 41.25 39.17 3fwm s ASN 112 CO 0.12 0.23 0.17 -0.76 0.02 0.00 0.00 177.10 176.88 3fwm s LEU 113 N 0.02 4.34 0.02 0.60 1.43 0.17 -4.89 118.68 120.37 3fwm s LEU 113 Ca 0.06 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3fwm s LEU 113 Cb -0.12 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3fwm s LEU 113 CO 0.01 0.28 -0.03 -0.70 0.23 0.00 0.00 176.35 176.14 3fwm s GLU 114 N -1.83 0.32 0.51 1.70 2.12 -1.26 0.11 118.70 120.37 3fwm s GLU 114 Ca 0.26 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.75 3fwm s GLU 114 Cb -0.12 0.08 -0.06 0.00 0.26 0.00 0.00 34.13 34.29 3fwm s GLU 114 CO 0.17 -0.04 1.32 -2.30 -0.54 0.00 0.00 175.26 173.87 3fwm n PRO 115 N 1.62 1.75 -0.95 4.30 -0.02 -1.26 -2.75 135.00 137.68 3fwm n PRO 115 Ca -0.24 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3fwm n PRO 115 Cb 0.55 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3fwm n PRO 115 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fwm n ASP 116 N -0.63 -1.94 -4.77 2.55 8.00 -0.23 -5.02 116.55 114.52 3fwm n ASP 116 Ca 0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 3fwm n ASP 116 Cb 0.43 -0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 3fwm n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fwm s MET 117 N -0.31 4.42 -0.95 -1.24 0.23 -1.11 -4.79 119.30 115.55 3fwm s MET 117 Ca 0.00 1.61 -0.24 0.00 -1.03 0.00 0.00 55.69 56.03 3fwm s MET 117 Cb 0.00 -2.86 0.04 0.00 -1.53 0.00 0.00 34.83 30.49 3fwm s MET 117 CO 0.00 0.06 1.42 0.99 -2.03 0.00 0.00 175.02 175.47 3fwm s THR 118 N -1.43 3.86 0.06 3.16 2.01 -1.26 -1.57 115.64 120.47 3fwm s THR 118 Ca 0.51 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 3fwm s THR 118 Cb -0.26 -5.00 -0.03 0.00 0.01 0.00 0.00 72.50 67.22 3fwm s THR 118 CO 0.33 -1.90 0.05 -0.51 -0.69 0.00 0.00 174.62 171.90 3fwm s ILE 119 N 5.28 0.19 0.39 1.82 2.07 -1.15 -4.98 121.20 124.81 3fwm s ILE 119 Ca 0.44 -1.56 0.08 0.00 -1.41 0.00 0.00 60.65 58.19 3fwm s ILE 119 Cb -0.02 -1.42 -0.05 0.00 0.13 0.00 0.00 42.46 41.10 3fwm s ILE 119 CO -0.04 -0.86 0.17 -0.94 -1.91 0.00 0.00 174.94 171.35 3fwm s SER 120 N -2.85 4.49 0.09 4.50 1.04 -1.26 -3.33 113.70 116.38 3fwm s SER 120 Ca 0.06 -0.99 -0.18 0.00 0.48 0.00 0.00 55.95 55.31 3fwm s SER 120 Cb 0.06 -0.54 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 3fwm s SER 120 CO -0.10 -0.47 1.54 0.50 0.98 0.00 0.00 173.24 175.69 3fwm h LYS 121 N 1.46 0.46 -0.88 4.02 3.64 -1.92 0.28 116.57 123.63 3fwm h LYS 121 Ca -0.43 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3fwm h LYS 121 Cb 1.25 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 3fwm h LYS 121 CO 0.68 0.61 0.55 -0.91 -2.27 0.00 0.00 179.45 178.10 3fwm h ASN 122 N 0.26 1.04 -0.88 4.20 2.35 -1.97 0.15 115.58 120.73 3fwm h ASN 122 Ca 0.08 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3fwm h ASN 122 Cb 0.39 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 3fwm h ASN 122 CO 0.01 0.79 0.57 -0.08 -1.65 0.00 0.00 177.43 177.07 3fwm h GLU 123 N 1.20 1.17 -0.29 0.81 4.81 -1.91 -1.75 114.58 118.61 3fwm h GLU 123 Ca 0.32 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3fwm h GLU 123 Cb -0.08 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.04 3fwm h GLU 123 CO -0.06 0.78 -0.23 1.98 -0.73 0.00 0.00 179.01 180.75 3fwm h MET 124 N 1.20 0.67 -0.55 1.92 4.05 0.13 -1.45 114.93 120.90 3fwm h MET 124 Ca 0.32 -0.33 0.11 0.00 -0.28 0.00 0.00 59.70 59.52 3fwm h MET 124 Cb -0.12 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.59 3fwm h MET 124 CO -0.07 0.93 0.04 0.28 0.23 0.00 0.00 176.91 178.32 3fwm h VAL 125 N 0.42 0.60 -0.81 -5.77 2.07 -0.60 -0.33 116.25 111.83 3fwm h VAL 125 Ca 0.05 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3fwm h VAL 125 Cb 0.78 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3fwm h VAL 125 CO 0.06 0.03 0.54 0.11 0.02 0.00 0.00 177.57 178.32 3fwm h LYS 126 N 0.15 1.06 -0.27 1.57 1.57 -0.90 -0.08 116.57 119.68 3fwm h LYS 126 Ca 0.28 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 3fwm h LYS 126 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3fwm h LYS 126 CO -0.43 0.70 -0.17 1.25 -0.57 0.00 0.00 179.45 180.22 3fwm h LEU 127 N 1.09 0.47 -0.19 2.94 5.85 -0.45 -0.21 115.31 124.80 3fwm h LEU 127 Ca 0.30 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.80 3fwm h LEU 127 Cb -0.13 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.78 3fwm h LEU 127 CO -0.06 0.66 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.41 3fwm h LEU 128 N 0.43 0.53 -0.98 2.25 3.38 -0.40 -2.49 115.31 118.04 3fwm h LEU 128 Ca 0.07 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 3fwm h LEU 128 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fwm h LEU 128 CO 0.04 0.91 -0.20 -0.33 0.09 0.00 0.00 178.44 178.95 3fwm h GLU 129 N 0.16 0.51 0.00 1.13 5.08 -0.87 0.19 114.58 120.78 3fwm h GLU 129 Ca 0.03 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3fwm h GLU 129 Cb 0.77 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3fwm h GLU 129 CO 0.05 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.75 3fwm n ALA 130 N -2.48 1.60 -1.16 3.43 0.00 -0.11 -2.27 120.51 119.52 3fwm n ALA 130 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.53 3fwm n ALA 130 Cb 0.38 -1.36 0.24 0.00 0.00 0.00 0.00 19.45 18.71 3fwm n ALA 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3fwm n THR 131 N -2.14 2.50 -0.99 0.00 -1.04 -0.43 -4.86 114.28 107.31 3fwm n THR 131 Ca 0.02 -2.14 0.00 0.00 -2.04 0.00 0.00 64.05 59.89 3fwm n THR 131 Cb 0.20 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 3fwm n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fwm n GLN 132 N -0.70 -0.35 -2.49 -2.82 1.13 -0.96 -4.85 117.38 106.35 3fwm n GLN 132 Ca 0.29 0.09 -0.33 0.00 -1.94 0.00 0.00 57.00 55.12 3fwm n GLN 132 Cb 1.04 -3.33 -0.04 0.00 0.11 0.00 0.00 30.24 28.01 3fwm n GLN 132 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3fwm s TYR 133 N -2.01 3.34 -0.10 1.08 2.02 0.55 -4.95 117.35 117.28 3fwm s TYR 133 Ca 0.00 1.52 0.03 0.00 -0.37 0.00 0.00 57.07 58.25 3fwm s TYR 133 Cb 0.00 -2.85 0.01 0.00 -0.40 0.00 0.00 41.96 38.72 3fwm s TYR 133 CO 0.00 -0.40 -0.20 1.03 -1.57 0.00 0.00 175.55 174.42 3fwm s ARG 134 N -3.76 2.58 0.19 -0.62 0.52 -0.55 -4.20 118.95 113.11 3fwm s ARG 134 Ca 0.61 -0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 3fwm s ARG 134 Cb -0.11 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.26 3fwm s ARG 134 CO 0.26 0.09 0.89 -1.14 0.02 0.00 0.00 175.30 175.42 3fwm s GLN 135 N 0.55 4.74 0.24 3.54 0.74 -1.26 -1.56 119.66 126.65 3fwm s GLN 135 Ca -0.15 1.38 -0.07 0.00 0.05 0.00 0.00 55.36 56.57 3fwm s GLN 135 Cb -0.17 -3.30 -0.02 0.00 1.10 0.00 0.00 33.01 30.63 3fwm s GLN 135 CO 0.05 0.47 0.34 0.14 -0.55 0.00 0.00 175.29 175.74 3fwm s VAL 136 N -0.92 0.00 -0.14 1.34 -7.23 -0.62 -4.92 120.40 107.91 3fwm s VAL 136 Ca 0.41 -1.67 -0.28 0.00 -1.81 0.00 0.00 61.98 58.62 3fwm s VAL 136 Cb -0.25 -2.37 -0.26 0.00 0.56 0.00 0.00 36.38 34.07 3fwm s VAL 136 CO 0.30 0.00 0.74 0.77 -0.31 0.00 0.00 175.10 176.60 3fwm h SER 137 N 2.39 0.01 -3.62 4.85 4.64 -1.97 -3.41 113.55 116.43 3fwm h SER 137 Ca -0.30 -0.97 -0.49 0.00 -0.47 0.00 0.00 61.79 59.56 3fwm h SER 137 Cb 1.25 -0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 63.01 3fwm h SER 137 CO 0.43 1.04 -0.81 -0.54 -0.87 0.00 0.00 176.83 176.08 3fwm s LYS 138 N -2.23 1.42 0.23 4.77 1.02 -1.26 -4.97 119.74 118.71 3fwm s LYS 138 Ca -0.19 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 3fwm s LYS 138 Cb -0.02 -1.23 -0.08 0.00 -0.52 0.00 0.00 37.83 35.97 3fwm s LYS 138 CO 0.69 0.08 0.67 -1.64 -0.92 0.00 0.00 175.35 174.22 3fwm s MET 139 N 0.44 4.08 0.00 1.68 -1.94 -1.26 -4.93 119.30 117.37 3fwm s MET 139 Ca -0.09 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.56 3fwm s MET 139 Cb -0.13 -2.77 0.00 0.00 2.01 0.00 0.00 34.83 33.94 3fwm s MET 139 CO 0.02 0.35 0.00 0.25 -0.01 0.00 0.00 175.02 175.64 3fwm n THR 140 N 0.41 0.00 -4.29 2.05 -2.24 -1.26 -5.15 114.28 103.79 3fwm n THR 140 Ca -0.01 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 3fwm n THR 140 Cb 0.52 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 3fwm n THR 140 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fwm s ARG 141 N -0.53 1.18 0.70 -0.78 0.52 -1.26 -5.13 118.95 113.65 3fwm s ARG 141 Ca 0.00 -1.51 -0.17 0.00 -0.52 0.00 0.00 55.73 53.54 3fwm s ARG 141 Cb 0.00 -0.86 0.02 0.00 0.52 0.00 0.00 34.95 34.62 3fwm s ARG 141 CO 0.00 0.13 1.27 -2.14 0.02 0.00 0.00 175.30 174.58 3fwm s PRO 142 N -3.66 2.27 -0.26 3.54 0.02 -1.26 -3.16 135.00 132.49 3fwm s PRO 142 Ca 0.19 1.97 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3fwm s PRO 142 Cb 0.01 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 3fwm s PRO 142 CO 0.04 -1.79 0.00 0.41 -0.33 0.00 0.00 177.00 175.33 3fwm n GLY 143 N 0.77 0.44 3.42 0.52 0.00 -0.43 -4.91 105.19 105.01 3fwm n GLY 143 Ca 0.15 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3fwm n GLY 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwm s GLU 144 N -3.08 1.55 0.03 1.61 2.02 -1.19 -1.48 118.70 118.15 3fwm s GLU 144 Ca 0.00 -1.66 -0.18 0.00 0.02 0.00 0.00 54.97 53.14 3fwm s GLU 144 Cb 0.00 -1.61 0.04 0.00 0.10 0.00 0.00 34.13 32.66 3fwm s GLU 144 CO 0.00 0.31 0.41 -0.59 0.02 0.00 0.00 175.26 175.41 3fwm s PHE 145 N -2.43 -0.27 0.14 1.61 -0.12 -0.60 -1.23 117.98 115.06 3fwm s PHE 145 Ca 0.26 0.27 0.11 0.00 -0.05 0.00 0.00 56.93 57.52 3fwm s PHE 145 Cb -0.05 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.52 3fwm s PHE 145 CO 0.12 -0.55 -0.25 0.95 -0.05 0.00 0.00 175.22 175.43 3fwm s THR 146 N -2.27 2.17 -0.12 -4.49 -4.23 0.15 -1.58 115.64 105.28 3fwm s THR 146 Ca -0.07 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3fwm s THR 146 Cb -0.01 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 3fwm s THR 146 CO -0.01 0.02 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.33 3fwm s VAL 147 N -1.21 3.63 0.43 2.29 1.01 -1.26 -0.67 120.40 124.61 3fwm s VAL 147 Ca 0.14 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.69 3fwm s VAL 147 Cb -0.09 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 3fwm s VAL 147 CO 0.06 0.54 0.03 -1.10 0.00 0.00 0.00 175.10 174.63 3fwm s GLN 148 N -0.06 1.98 0.25 2.72 1.11 -0.16 -5.02 119.66 120.48 3fwm s GLN 148 Ca 0.00 -2.18 -0.13 0.00 0.01 0.00 0.00 55.36 53.06 3fwm s GLN 148 Cb -0.13 -1.33 0.34 0.00 -1.01 0.00 0.00 33.01 30.88 3fwm s GLN 148 CO 0.03 -0.24 1.56 0.00 0.01 0.00 0.00 175.29 176.65 3fwm h ALA 149 N 1.69 0.39 0.00 6.09 0.00 -2.03 -3.19 119.26 122.21 3fwm h ALA 149 Ca -0.42 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fwm h ALA 149 Cb 1.27 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3fwm h ALA 149 CO 0.73 -0.51 -0.18 0.09 0.00 0.00 0.00 179.25 179.39 3fwm n ASN 150 N -5.54 1.44 -3.73 0.00 4.13 -1.26 -5.06 115.26 105.24 3fwm n ASN 150 Ca 0.13 -2.62 -0.05 0.00 1.68 0.00 0.00 54.58 53.71 3fwm n ASN 150 Cb 0.44 -0.32 -0.02 0.00 -1.54 0.00 0.00 39.78 38.34 3fwm n ASN 150 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3fwm s SER 151 N -2.08 -0.24 0.03 6.41 1.04 -1.21 -0.13 113.70 117.52 3fwm s SER 151 Ca 0.19 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.28 3fwm s SER 151 Cb 0.16 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.80 3fwm s SER 151 CO 0.02 -0.96 -0.10 -0.63 0.98 0.00 0.00 173.24 172.55 3fwm s ILE 152 N -3.42 0.75 -0.09 -1.02 1.01 0.03 -0.99 121.20 117.46 3fwm s ILE 152 Ca 0.10 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3fwm s ILE 152 Cb -0.02 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 3fwm s ILE 152 CO 0.01 -0.09 -0.21 -1.61 0.00 0.00 0.00 174.94 173.04 3fwm s GLU 153 N -1.01 2.93 0.11 2.79 2.02 0.15 -0.84 118.70 124.87 3fwm s GLU 153 Ca -0.02 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3fwm s GLU 153 Cb -0.07 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.79 3fwm s GLU 153 CO 0.01 0.28 -0.06 0.00 0.02 0.00 0.00 175.26 175.51 3fwm s MET 154 N 0.12 0.90 -0.69 1.61 0.23 -0.10 0.32 119.30 121.69 3fwm s MET 154 Ca -0.11 -1.38 -0.07 0.00 -1.03 0.00 0.00 55.69 53.11 3fwm s MET 154 Cb -0.16 -0.24 0.18 0.00 -1.53 0.00 0.00 34.83 33.08 3fwm s MET 154 CO 0.06 -0.03 0.55 0.42 -2.03 0.00 0.00 175.02 173.99 3fwm s ILE 155 N -3.61 4.37 -0.12 3.16 1.01 -0.37 -1.17 121.20 124.46 3fwm s ILE 155 Ca 0.14 -2.77 -0.32 0.00 0.00 0.00 0.00 60.65 57.71 3fwm s ILE 155 Cb 0.05 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 3fwm s ILE 155 CO -0.03 -0.93 2.03 -1.14 0.00 0.00 0.00 174.94 174.87 3fwm n ARG 156 N 3.68 2.15 -1.04 2.79 0.00 -0.02 -1.31 116.66 122.92 3fwm n ARG 156 Ca 0.09 0.73 -0.31 0.00 -0.00 0.00 0.00 57.85 58.37 3fwm n ARG 156 Cb 0.41 -2.85 0.13 0.00 0.00 0.00 0.00 32.46 30.15 3fwm n ARG 156 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3fwm s ARG 157 N 5.00 1.62 0.48 -0.14 1.70 -1.26 -2.10 118.95 124.25 3fwm s ARG 157 Ca 0.96 1.25 -0.22 0.00 -0.47 0.00 0.00 55.73 57.25 3fwm s ARG 157 Cb -0.57 -1.82 -0.07 0.00 -0.57 0.00 0.00 34.95 31.92 3fwm s ARG 157 CO 0.45 -2.11 1.14 -2.14 -1.08 0.00 0.00 175.30 171.56 3fwm s PRO 158 N -4.81 3.69 -0.14 3.89 0.02 -1.26 -4.63 135.00 131.76 3fwm s PRO 158 Ca 0.64 1.70 -0.20 0.00 0.02 0.00 0.00 61.00 63.16 3fwm s PRO 158 Cb -0.19 -2.30 0.05 0.00 0.02 0.00 0.00 34.50 32.07 3fwm s PRO 158 CO 0.57 -0.59 0.51 0.12 -0.33 0.00 0.00 177.00 177.28 3fwm s PHE 159 N -1.63 -0.52 -1.39 6.54 5.36 -0.74 -4.97 117.98 120.63 3fwm s PHE 159 Ca 0.66 1.16 -0.13 0.00 -0.96 0.00 0.00 56.93 57.66 3fwm s PHE 159 Cb -0.26 0.21 0.08 0.00 -0.34 0.00 0.00 43.02 42.71 3fwm s PHE 159 CO 0.32 -0.35 2.09 -3.47 -1.46 0.00 0.00 175.22 172.34 3fwm n ASP 160 N 2.21 4.31 -4.74 6.13 2.03 -1.26 -1.93 116.55 123.30 3fwm n ASP 160 Ca -0.16 -2.93 -0.42 0.00 0.52 0.00 0.00 54.79 51.81 3fwm n ASP 160 Cb 0.56 -1.61 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 3fwm n ASP 160 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3fwm s PHE 161 N 2.34 2.92 0.27 -0.67 0.08 -1.25 -4.85 117.98 116.81 3fwm s PHE 161 Ca 0.45 0.75 -0.10 0.00 0.12 0.00 0.00 56.93 58.16 3fwm s PHE 161 Cb 0.12 -3.98 0.42 0.00 -0.57 0.00 0.00 43.02 39.02 3fwm s PHE 161 CO -0.05 -3.40 1.56 -1.35 -0.10 0.00 0.00 175.22 171.88 3fwm h PRO 162 N 5.60 -0.00 0.00 0.24 0.11 -2.00 0.80 132.00 136.75 3fwm h PRO 162 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3fwm h PRO 162 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fwm h PRO 162 CO 0.84 -0.00 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.10 3fwm h ASP 163 N -0.00 0.00 0.00 -2.05 3.32 -2.00 -3.43 116.42 112.26 3fwm h ASP 163 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3fwm h ASP 163 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3fwm h ASP 163 CO -1.02 0.09 0.00 -0.24 -1.72 0.00 0.00 179.24 176.35 3fwm n SER 164 N -3.82 0.00 -4.69 6.45 2.88 0.27 -5.15 113.62 109.57 3fwm n SER 164 Ca -0.02 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.16 3fwm n SER 164 Cb 0.19 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.74 3fwm n SER 164 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3fwm n LYS 165 N 0.00 0.61 -3.84 -1.46 4.81 -1.22 -3.93 118.16 113.12 3fwm n LYS 165 Ca 0.00 0.27 -0.12 0.00 -0.87 0.00 0.00 58.31 57.60 3fwm n LYS 165 Cb 0.00 -2.42 -0.10 0.00 0.02 0.00 0.00 35.03 32.53 3fwm n LYS 165 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3fwm s GLU 166 N -3.64 0.42 0.00 1.64 2.02 -0.81 -4.89 118.70 113.44 3fwm s GLU 166 Ca 0.77 -0.19 0.00 0.00 0.02 0.00 0.00 54.97 55.57 3fwm s GLU 166 Cb -0.34 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.07 3fwm s GLU 166 CO 0.47 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 176.06 3fwm n GLY 167 N 1.87 0.75 3.63 -1.39 0.00 -1.26 -1.79 105.19 106.99 3fwm n GLY 167 Ca -0.20 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 3fwm n GLY 167 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fwm n GLN 168 N -0.54 0.63 -3.75 1.61 6.02 -1.26 -4.13 117.38 115.95 3fwm n GLN 168 Ca 0.00 0.27 -0.13 0.00 -0.01 0.00 0.00 57.00 57.13 3fwm n GLN 168 Cb 0.00 -2.24 -0.13 0.00 1.02 0.00 0.00 30.24 28.89 3fwm n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fwm s VAL 169 N -1.72 -0.03 -0.32 5.09 1.01 -0.89 -4.97 120.40 118.56 3fwm s VAL 169 Ca 0.75 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.76 3fwm s VAL 169 Cb -0.36 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3fwm s VAL 169 CO 0.49 0.05 0.14 -0.60 0.00 0.00 0.00 175.10 175.17 3fwm s ARG 170 N 0.93 3.12 0.08 2.72 3.52 -1.26 -0.84 118.95 127.22 3fwm s ARG 170 Ca -0.07 -0.86 0.05 0.00 -0.13 0.00 0.00 55.73 54.73 3fwm s ARG 170 Cb -0.08 -3.54 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3fwm s ARG 170 CO -0.05 -0.50 -0.15 0.00 -0.81 0.00 0.00 175.30 173.79 3fwm s ALA 171 N 1.56 1.24 -0.19 6.12 0.00 -0.32 -0.34 121.76 129.83 3fwm s ALA 171 Ca 0.03 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3fwm s ALA 171 Cb -0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3fwm s ALA 171 CO 0.05 0.18 -0.06 0.50 0.00 0.00 0.00 175.76 176.43 3fwm s ARG 172 N -1.82 3.45 -0.24 0.00 3.52 -0.05 -0.93 118.95 122.87 3fwm s ARG 172 Ca -0.01 -0.61 -0.14 0.00 -0.13 0.00 0.00 55.73 54.84 3fwm s ARG 172 Cb -0.10 -2.91 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 3fwm s ARG 172 CO 0.02 -0.01 0.32 -0.51 -0.81 0.00 0.00 175.30 174.31 3fwm s LEU 173 N 0.99 4.09 -0.11 -0.88 1.02 -0.02 -0.89 118.68 122.89 3fwm s LEU 173 Ca -0.00 0.30 -0.00 0.00 0.02 0.00 0.00 54.13 54.44 3fwm s LEU 173 Cb -0.15 -2.36 -0.02 0.00 0.02 0.00 0.00 46.19 43.68 3fwm s LEU 173 CO 0.00 -0.09 -0.09 -0.89 0.02 0.00 0.00 176.35 175.30 3fwm s THR 174 N 1.61 3.46 -0.10 5.49 2.01 -0.48 -0.79 115.64 126.84 3fwm s THR 174 Ca 0.14 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.60 3fwm s THR 174 Cb -0.15 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.88 3fwm s THR 174 CO 0.08 0.55 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.13 3fwm s PHE 175 N -0.11 2.95 -0.89 4.92 0.08 0.82 -0.08 117.98 125.67 3fwm s PHE 175 Ca 0.00 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3fwm s PHE 175 Cb -0.13 -1.79 0.31 0.00 -0.57 0.00 0.00 43.02 40.84 3fwm s PHE 175 CO 0.03 0.17 1.43 -3.47 -0.10 0.00 0.00 175.22 173.29 3fwm n ASP 176 N 2.72 6.11 0.00 1.36 -0.08 -0.27 -4.82 116.55 121.57 3fwm n ASP 176 Ca -0.18 -3.61 0.00 0.00 -1.51 0.00 0.00 54.79 49.50 3fwm n ASP 176 Cb 0.53 -0.99 0.00 0.00 2.34 0.00 0.00 41.12 43.00 3fwm n ASP 176 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fwm n GLY 177 N 0.28 0.24 0.18 0.27 0.00 -1.26 -3.02 105.19 101.89 3fwm n GLY 177 Ca 0.37 0.75 -0.11 0.00 0.00 0.00 0.00 46.02 47.02 3fwm n GLY 177 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3fwm h ASP 178 N 0.00 -0.39 -4.82 1.61 -0.00 -1.95 -3.42 116.42 107.45 3fwm h ASP 178 Ca 0.00 0.05 -0.56 0.00 -0.00 0.00 0.00 57.03 56.52 3fwm h ASP 178 Cb 0.00 0.16 -0.12 0.00 -0.00 0.00 0.00 39.33 39.37 3fwm h ASP 178 CO 0.00 -0.20 -0.45 0.00 -0.00 0.00 0.00 179.24 178.60 3fwm n HIS 179 N -5.27 0.50 -2.50 4.15 1.44 -1.17 -2.95 115.22 109.44 3fwm n HIS 179 Ca -0.06 -2.43 -0.42 0.00 -2.01 0.00 0.00 57.72 52.80 3fwm n HIS 179 Cb 0.19 -0.12 -0.03 0.00 0.12 0.00 0.00 29.99 30.15 3fwm n HIS 179 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3fwm s LEU 180 N 0.00 4.29 -0.12 2.39 1.43 -0.61 -1.11 118.68 124.95 3fwm s LEU 180 Ca 0.12 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.94 3fwm s LEU 180 Cb 0.01 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 3fwm s LEU 180 CO 0.09 -0.54 0.13 0.00 0.23 0.00 0.00 176.35 176.26 3fwm h ALA 181 N 7.31 0.01 -2.80 4.21 0.00 -0.81 -0.58 119.26 126.60 3fwm h ALA 181 Ca -0.35 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 3fwm h ALA 181 Cb 1.17 0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.84 3fwm h ALA 181 CO 0.86 0.08 -0.63 0.95 0.00 0.00 0.00 179.25 180.52 3fwm s THR 182 N -1.78 0.12 -0.16 0.00 -4.23 -1.14 -4.11 115.64 104.34 3fwm s THR 182 Ca -0.06 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 3fwm s THR 182 Cb -0.00 -0.52 0.01 0.00 1.34 0.00 0.00 72.50 73.33 3fwm s THR 182 CO 0.17 -0.54 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.90 3fwm s ILE 183 N -1.87 2.40 -0.11 2.99 -1.09 -1.26 -1.38 121.20 120.89 3fwm s ILE 183 Ca -0.12 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 57.48 3fwm s ILE 183 Cb -0.06 -2.00 0.01 0.00 -1.58 0.00 0.00 42.46 38.82 3fwm s ILE 183 CO -0.02 0.53 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.32 3fwm s VAL 184 N 0.92 1.87 -0.43 2.92 1.01 -0.07 -0.62 120.40 125.99 3fwm s VAL 184 Ca -0.04 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 3fwm s VAL 184 Cb -0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3fwm s VAL 184 CO -0.03 0.51 1.92 0.21 0.00 0.00 0.00 175.10 177.72 3fwm s ASN 185 N 0.64 5.48 0.64 3.32 3.84 0.13 -0.87 114.94 128.11 3fwm s ASN 185 Ca -0.13 1.00 0.29 0.00 0.21 0.00 0.00 52.86 54.23 3fwm s ASN 185 Cb -0.16 -2.52 1.55 0.00 -0.55 0.00 0.00 41.25 39.57 3fwm s ASN 185 CO 0.03 -2.09 1.91 0.24 -2.79 0.00 0.00 177.10 174.40 3fwm h MET 186 N 14.54 0.00 0.13 0.43 2.86 -0.99 0.54 114.93 132.43 3fwm h MET 186 Ca -0.30 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 3fwm h MET 186 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3fwm h MET 186 CO 1.10 0.00 -0.06 1.49 1.06 0.00 0.00 176.91 180.50 3fwm h GLU 187 N 0.00 -0.16 -0.29 1.72 4.81 -1.89 -3.35 114.58 115.41 3fwm h GLU 187 Ca 0.08 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3fwm h GLU 187 Cb 0.85 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.27 3fwm h GLU 187 CO -0.00 0.30 0.00 0.27 -0.73 0.00 0.00 179.01 178.85 3fwm n ASN 188 N -4.91 2.76 -1.48 1.04 0.23 -1.07 -4.98 115.26 106.85 3fwm n ASN 188 Ca -0.08 -1.94 -0.18 0.00 -0.53 0.00 0.00 54.58 51.85 3fwm n ASN 188 Cb 0.27 -0.19 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 3fwm n ASN 188 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3fwm n ASN 189 N 0.46 -4.79 -4.97 0.53 3.02 0.19 -4.98 115.26 104.72 3fwm n ASN 189 Ca 0.10 0.44 -0.21 0.00 -0.03 0.00 0.00 54.58 54.88 3fwm n ASN 189 Cb 0.40 -4.25 -0.01 0.00 -0.61 0.00 0.00 39.78 35.31 3fwm n ASN 189 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fwm s ARG 190 N -3.48 3.34 0.29 3.52 0.52 -1.21 -4.82 118.95 117.11 3fwm s ARG 190 Ca 0.00 -0.74 -0.28 0.00 -0.52 0.00 0.00 55.73 54.19 3fwm s ARG 190 Cb 0.00 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.56 3fwm s ARG 190 CO 0.00 0.25 0.98 -0.65 0.02 0.00 0.00 175.30 175.90 3fwm s GLN 191 N -4.12 4.66 0.18 3.54 -0.21 -1.26 0.19 119.66 122.64 3fwm s GLN 191 Ca 0.39 1.49 -0.16 0.00 0.02 0.00 0.00 55.36 57.10 3fwm s GLN 191 Cb -0.09 -3.03 -0.07 0.00 1.00 0.00 0.00 33.01 30.82 3fwm s GLN 191 CO 0.31 0.32 0.62 -0.06 -2.12 0.00 0.00 175.29 174.36 3fwm s PHE 192 N -1.37 3.61 0.05 0.91 0.40 0.20 -4.88 117.98 116.91 3fwm s PHE 192 Ca 0.46 1.19 -0.01 0.00 -0.60 0.00 0.00 56.93 57.98 3fwm s PHE 192 Cb -0.24 -2.47 -0.26 0.00 0.51 0.00 0.00 43.02 40.55 3fwm s PHE 192 CO 0.30 0.38 1.04 0.78 0.70 0.00 0.00 175.22 178.43 3fwm h GLY 193 N 3.46 0.23 -3.29 4.36 0.00 -1.94 -3.42 103.07 102.46 3fwm h GLY 193 Ca -0.48 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.21 3fwm h GLY 193 CO 0.66 0.51 -0.05 -0.11 0.00 0.00 0.00 176.54 177.55 3fwm s PHE 194 N -2.65 -0.27 -0.02 5.60 -0.12 -1.26 -4.19 117.98 115.08 3fwm s PHE 194 Ca -0.05 0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 56.90 3fwm s PHE 194 Cb 0.08 0.28 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3fwm s PHE 194 CO 0.86 -0.67 0.02 0.12 -0.05 0.00 0.00 175.22 175.50 3fwm s PHE 195 N -3.33 0.02 -0.11 3.49 2.19 0.30 -4.93 117.98 115.61 3fwm s PHE 195 Ca -0.00 0.10 -0.15 0.00 0.33 0.00 0.00 56.93 57.22 3fwm s PHE 195 Cb 0.01 -0.18 -0.05 0.00 -1.31 0.00 0.00 43.02 41.49 3fwm s PHE 195 CO -0.09 -0.07 0.35 1.03 1.83 0.00 0.00 175.22 178.28 3fwm s ARG 196 N 0.82 4.15 -0.14 10.12 0.52 -1.26 0.45 118.95 133.61 3fwm s ARG 196 Ca -0.07 0.23 -0.11 0.00 -0.52 0.00 0.00 55.73 55.26 3fwm s ARG 196 Cb -0.10 -3.37 -0.05 0.00 0.52 0.00 0.00 34.95 31.96 3fwm s ARG 196 CO -0.02 0.35 0.23 -1.17 0.02 0.00 0.00 175.30 174.71 3fwm s LEU 197 N 0.07 4.31 0.76 2.53 0.20 -0.28 -4.96 118.68 121.30 3fwm s LEU 197 Ca 0.20 0.50 -0.13 0.00 0.69 0.00 0.00 54.13 55.39 3fwm s LEU 197 Cb -0.14 -2.26 0.06 0.00 -0.43 0.00 0.00 46.19 43.41 3fwm s LEU 197 CO 0.07 0.23 1.16 1.51 -0.29 0.00 0.00 176.35 179.03 3fwm s ASP 198 N -0.17 4.16 0.24 3.68 3.84 -1.26 -3.67 116.67 123.50 3fwm s ASP 198 Ca 0.15 2.18 -0.16 0.00 -0.00 0.00 0.00 52.55 54.72 3fwm s ASP 198 Cb -0.13 -2.57 -0.08 0.00 -1.38 0.00 0.00 42.92 38.76 3fwm s ASP 198 CO 0.04 -2.28 0.68 -2.16 -0.00 0.00 0.00 175.17 171.46 3fwm s PRO 199 N -4.23 4.08 0.36 2.11 0.05 -1.26 -4.78 135.00 131.33 3fwm s PRO 199 Ca 0.69 0.69 -0.23 0.00 0.05 0.00 0.00 61.00 62.20 3fwm s PRO 199 Cb -0.24 -2.72 -0.10 0.00 0.05 0.00 0.00 34.50 31.48 3fwm s PRO 199 CO 0.49 0.33 0.93 0.50 0.05 0.00 0.00 177.00 179.29 3fwm s ARG 200 N -2.37 4.41 -0.21 4.56 3.52 -1.26 -4.77 118.95 122.83 3fwm s ARG 200 Ca 0.46 1.21 -0.29 0.00 -0.13 0.00 0.00 55.73 56.98 3fwm s ARG 200 Cb -0.14 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 3fwm s ARG 200 CO 0.20 0.15 1.11 -1.17 -0.81 0.00 0.00 175.30 174.78 3fwm s LEU 201 N -2.54 4.13 -0.16 -0.88 2.96 -1.26 -0.88 118.68 120.05 3fwm s LEU 201 Ca 0.55 1.48 -0.16 0.00 -0.22 0.00 0.00 54.13 55.78 3fwm s LEU 201 Cb -0.14 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.78 3fwm s LEU 201 CO 0.19 -0.70 0.35 0.40 -1.32 0.00 0.00 176.35 175.27 3fwm h ILE 202 N 5.46 0.89 -1.99 6.68 2.04 -0.85 -3.48 117.51 126.26 3fwm h ILE 202 Ca -0.21 -2.28 0.28 0.00 1.00 0.00 0.00 64.86 63.65 3fwm h ILE 202 Cb 1.07 2.44 -0.08 0.00 -0.74 0.00 0.00 36.82 39.52 3fwm h ILE 202 CO 0.98 0.57 0.76 0.28 0.00 0.00 0.00 178.15 180.74 3fwm s THR 203 N -2.44 0.00 0.28 -0.27 -1.32 -1.15 -4.75 115.64 105.99 3fwm s THR 203 Ca -0.25 -0.33 0.07 0.00 -1.21 0.00 0.00 61.69 59.97 3fwm s THR 203 Cb 0.05 -2.48 -0.03 0.00 -1.51 0.00 0.00 72.50 68.53 3fwm s THR 203 CO 0.68 0.00 0.21 -0.04 -2.21 0.00 0.00 174.62 173.26 3fwm s MET 204 N -2.35 2.83 -0.40 7.08 -1.94 -1.26 -0.59 119.30 122.68 3fwm s MET 204 Ca 0.20 -1.15 -0.11 0.00 -1.71 0.00 0.00 55.69 52.93 3fwm s MET 204 Cb 0.01 -2.51 0.05 0.00 2.01 0.00 0.00 34.83 34.38 3fwm s MET 204 CO -0.00 0.31 0.24 0.42 -0.01 0.00 0.00 175.02 175.98 3fwm s ILE 205 N -2.19 4.49 -0.03 2.53 1.01 -0.38 -4.90 121.20 121.72 3fwm s ILE 205 Ca 0.35 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.77 3fwm s ILE 205 Cb -0.07 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3fwm s ILE 205 CO 0.25 -0.35 0.48 -1.20 0.00 0.00 0.00 174.94 174.11 3fwm n SER 206 N 4.98 0.07 -4.90 3.58 7.64 -1.26 -3.83 113.62 119.90 3fwm n SER 206 Ca -0.11 0.48 -0.33 0.00 1.01 0.00 0.00 58.87 59.92 3fwm n SER 206 Cb 0.45 -0.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 3fwm n SER 206 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3fwm s SER 207 N 0.19 6.41 0.33 6.43 1.04 -1.26 -4.92 113.70 121.93 3fwm s SER 207 Ca 0.39 0.41 0.12 0.00 0.48 0.00 0.00 55.95 57.34 3fwm s SER 207 Cb -0.54 -2.02 1.03 0.00 0.10 0.00 0.00 66.02 64.59 3fwm s SER 207 CO 0.25 0.21 1.61 -0.65 0.98 0.00 0.00 173.24 175.64 3fwm h PRO 208 N 3.52 0.11 -1.00 4.02 0.11 -1.92 -1.45 132.00 135.38 3fwm h PRO 208 Ca -0.48 -0.01 0.32 0.00 0.11 0.00 0.00 66.00 65.95 3fwm h PRO 208 Cb 1.18 -0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 3fwm h PRO 208 CO 0.71 0.07 0.55 -0.91 -0.21 0.00 0.00 178.00 178.21 3fwm h ASN 209 N 0.11 0.49 0.00 -2.05 4.21 -1.94 -3.44 115.58 112.95 3fwm h ASN 209 Ca 0.71 0.19 0.00 0.00 1.21 0.00 0.00 56.30 58.41 3fwm h ASN 209 Cb 1.67 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 39.02 3fwm h ASN 209 CO -0.75 -0.15 0.00 0.61 -1.29 0.00 0.00 177.43 175.85 3fwm n GLY 210 N -1.29 1.80 3.53 2.83 0.00 -0.55 -5.02 105.19 106.48 3fwm n GLY 210 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 3fwm n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwm s GLU 211 N -0.30 3.82 -0.16 1.61 2.02 -1.26 -0.16 118.70 124.27 3fwm s GLU 211 Ca 0.00 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.58 3fwm s GLU 211 Cb 0.00 -3.51 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 3fwm s GLU 211 CO 0.00 -0.18 -0.09 -1.14 0.02 0.00 0.00 175.26 173.86 3fwm s GLN 212 N 1.69 3.41 0.10 1.61 2.00 -0.40 -4.76 119.66 123.31 3fwm s GLN 212 Ca 0.07 -0.65 0.03 0.00 -2.00 0.00 0.00 55.36 52.81 3fwm s GLN 212 Cb -0.16 -2.78 -0.04 0.00 0.80 0.00 0.00 33.01 30.84 3fwm s GLN 212 CO 0.08 0.09 -0.09 1.03 -0.50 0.00 0.00 175.29 175.90 3fwm s ARG 213 N 0.70 0.82 -0.28 1.67 0.52 -1.26 -2.82 118.95 118.29 3fwm s ARG 213 Ca -0.05 -1.20 0.01 0.00 -0.52 0.00 0.00 55.73 53.98 3fwm s ARG 213 Cb -0.15 -0.40 0.08 0.00 0.52 0.00 0.00 34.95 35.00 3fwm s ARG 213 CO 0.02 0.04 0.02 -1.17 0.02 0.00 0.00 175.30 174.23 3fwm s LEU 214 N -2.61 3.04 0.01 2.53 2.96 -1.26 -4.42 118.68 118.93 3fwm s LEU 214 Ca 0.07 -1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.12 3fwm s LEU 214 Cb -0.00 -1.21 -0.06 0.00 0.50 0.00 0.00 46.19 45.42 3fwm s LEU 214 CO -0.01 -0.32 1.51 0.12 -1.32 0.00 0.00 176.35 176.33 3fwm s PHE 215 N 1.33 2.58 -0.06 5.38 5.36 -1.26 -4.42 117.98 126.90 3fwm s PHE 215 Ca 0.03 0.57 0.01 0.00 -0.96 0.00 0.00 56.93 56.58 3fwm s PHE 215 Cb -0.18 -3.79 0.02 0.00 -0.34 0.00 0.00 43.02 38.72 3fwm s PHE 215 CO -0.12 -3.08 -0.08 0.08 -1.46 0.00 0.00 175.22 170.56 3fwm s VAL 216 N 2.77 0.84 1.21 3.12 1.01 -1.26 -5.12 120.40 122.97 3fwm s VAL 216 Ca 0.68 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 3fwm s VAL 216 Cb -0.34 -0.82 0.29 0.00 0.00 0.00 0.00 36.38 35.51 3fwm s VAL 216 CO 0.28 0.30 1.04 -2.84 0.00 0.00 0.00 175.10 173.88 3fwm s PRO 217 N 0.91 -1.25 0.23 2.72 0.02 -1.26 -4.85 135.00 131.52 3fwm s PRO 217 Ca -0.11 0.31 -0.08 0.00 0.02 0.00 0.00 61.00 61.14 3fwm s PRO 217 Cb -0.15 -1.56 0.24 0.00 0.02 0.00 0.00 34.50 33.06 3fwm s PRO 217 CO 0.01 -3.81 1.87 -0.09 -0.33 0.00 0.00 177.00 174.65 3fwm h ARG 218 N -2.66 0.98 -0.98 5.54 1.12 -1.90 -2.24 114.38 114.23 3fwm h ARG 218 Ca -0.51 -0.06 0.04 0.00 -1.11 0.00 0.00 59.98 58.34 3fwm h ARG 218 Cb 1.33 -0.22 -0.06 0.00 -0.01 0.00 0.00 29.97 31.01 3fwm h ARG 218 CO 0.42 0.65 0.64 0.66 -3.11 0.00 0.00 179.97 179.23 3fwm h SER 219 N 1.01 1.06 0.12 -3.80 4.64 -1.98 -2.98 113.55 111.62 3fwm h SER 219 Ca 0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3fwm h SER 219 Cb 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3fwm h SER 219 CO -0.12 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3fwm n GLY 220 N -1.38 -0.84 3.78 -0.77 0.00 -0.84 -4.67 105.19 100.47 3fwm n GLY 220 Ca 0.14 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 3fwm n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwm s PHE 221 N -3.36 3.63 -0.10 1.61 0.08 -1.13 -4.17 117.98 114.55 3fwm s PHE 221 Ca -0.00 0.96 -0.30 0.00 0.12 0.00 0.00 56.93 57.71 3fwm s PHE 221 Cb 0.05 -2.43 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3fwm s PHE 221 CO 0.18 0.41 1.28 -2.14 -0.10 0.00 0.00 175.22 174.85 3fwm s PRO 222 N -0.26 4.28 0.01 0.24 0.02 -1.26 -4.91 135.00 133.12 3fwm s PRO 222 Ca 0.25 1.74 -0.02 0.00 0.02 0.00 0.00 61.00 62.99 3fwm s PRO 222 Cb -0.16 -3.68 -0.01 0.00 0.02 0.00 0.00 34.50 30.68 3fwm s PRO 222 CO 0.12 -0.60 0.12 -0.25 -0.33 0.00 0.00 177.00 176.05 3fwm n ASP 223 N 5.96 -0.08 -0.31 2.53 10.43 -1.26 -0.17 116.55 133.66 3fwm n ASP 223 Ca 0.13 0.13 0.11 0.00 2.57 0.00 0.00 54.79 57.73 3fwm n ASP 223 Cb 0.45 -0.02 0.28 0.00 1.84 0.00 0.00 41.12 43.67 3fwm n ASP 223 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3fwm h LEU 224 N 0.00 0.52 -1.29 0.64 3.38 -1.98 0.15 115.31 116.73 3fwm h LEU 224 Ca 0.01 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3fwm h LEU 224 Cb 0.03 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fwm h LEU 224 CO -0.07 0.15 -0.07 0.17 0.09 0.00 0.00 178.44 178.72 3fwm h LEU 225 N 0.57 0.00 -0.07 1.67 -0.00 -0.94 1.74 115.31 118.27 3fwm h LEU 225 Ca 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.26 3fwm h LEU 225 Cb 0.86 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.53 3fwm h LEU 225 CO -0.43 0.07 -0.54 0.58 -0.00 0.00 0.00 178.44 178.12 3fwm h VAL 226 N 0.00 1.38 0.44 0.15 2.07 -0.77 -0.90 116.25 118.62 3fwm h VAL 226 Ca -0.00 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.60 3fwm h VAL 226 Cb 0.60 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3fwm h VAL 226 CO 0.01 0.56 -0.21 0.44 0.02 0.00 0.00 177.57 178.39 3fwm h ASP 227 N 0.07 -0.50 -0.94 0.57 3.32 -0.07 0.34 116.42 119.21 3fwm h ASP 227 Ca -0.05 -0.05 0.19 0.00 0.02 0.00 0.00 57.03 57.15 3fwm h ASP 227 Cb 1.20 0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.80 3fwm h ASP 227 CO 0.11 -0.26 0.60 0.74 -1.72 0.00 0.00 179.24 178.71 3fwm h THR 228 N -0.73 0.71 0.22 0.35 2.02 0.25 0.68 112.91 116.41 3fwm h THR 228 Ca -0.06 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3fwm h THR 228 Cb 0.52 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3fwm h THR 228 CO 0.10 0.10 -0.11 0.25 0.37 0.00 0.00 175.52 176.24 3fwm h LEU 229 N 0.56 -0.25 -0.10 2.58 5.85 -0.71 -3.14 115.31 120.11 3fwm h LEU 229 Ca 0.50 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3fwm h LEU 229 Cb 1.04 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3fwm h LEU 229 CO -0.24 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.15 3fwm n LEU 230 N -5.07 0.08 -0.03 2.25 4.77 0.12 -1.92 117.00 117.19 3fwm n LEU 230 Ca -0.09 -0.04 0.05 0.00 -0.03 0.00 0.00 56.01 55.90 3fwm n LEU 230 Cb 0.24 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3fwm n LEU 230 CO 0.31 0.02 0.01 0.00 -1.33 0.00 0.00 177.39 176.40 3fwm n ALA 231 N -0.44 3.17 0.65 -1.18 0.00 0.08 -4.28 120.51 118.51 3fwm n ALA 231 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 53.44 53.21 3fwm n ALA 231 Cb 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 3fwm n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fwm n THR 232 N -1.08 0.00 -3.20 0.00 -2.24 -0.81 -4.98 114.28 101.97 3fwm n THR 232 Ca 0.02 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 3fwm n THR 232 Cb 0.16 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3fwm n THR 232 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fwm n GLU 233 N -1.30 0.15 -1.03 -0.78 1.02 -0.97 -5.13 120.64 112.59 3fwm n GLU 233 Ca 0.03 -0.32 -0.01 0.00 -0.02 0.00 0.00 57.16 56.83 3fwm n GLU 233 Cb 0.22 0.38 -0.00 0.00 -0.02 0.00 0.00 31.44 32.02 3fwm n GLU 233 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3fwm n THR 267 N -0.08 0.00 -0.02 2.62 5.66 -1.26 -4.85 114.28 116.35 3fwm n THR 267 Ca -0.01 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.85 3fwm n THR 267 Cb 0.08 -0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 67.86 3fwm n THR 267 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3fwm h LEU 268 N 0.00 0.81 -1.03 1.09 7.12 -2.03 0.18 115.31 121.46 3fwm h LEU 268 Ca -0.02 -0.48 -0.07 0.00 0.13 0.00 0.00 57.88 57.44 3fwm h LEU 268 Cb 0.96 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.83 3fwm h LEU 268 CO 0.03 1.25 -0.05 0.00 -0.13 0.00 0.00 178.44 179.54 3fwm h THR 269 N 0.51 1.23 -0.09 1.05 1.03 -1.95 -2.38 112.91 112.31 3fwm h THR 269 Ca -0.02 -0.98 -0.01 0.00 -0.01 0.00 0.00 66.41 65.39 3fwm h THR 269 Cb 1.25 1.00 -0.00 0.00 -1.07 0.00 0.00 68.15 69.32 3fwm h THR 269 CO 0.13 0.34 0.02 -0.61 -0.01 0.00 0.00 175.52 175.39 3fwm h GLN 270 N 0.60 0.14 -0.55 0.00 5.75 -1.81 -2.70 115.11 116.54 3fwm h GLN 270 Ca 0.12 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 3fwm h GLN 270 Cb 0.46 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 3fwm h GLN 270 CO 0.02 0.32 0.24 1.96 -2.65 0.00 0.00 178.83 178.72 3fwm h GLN 271 N -0.06 0.78 0.25 1.69 4.20 -0.89 -2.18 115.11 118.92 3fwm h GLN 271 Ca 0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 3fwm h GLN 271 Cb 0.24 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3fwm h GLN 271 CO -0.00 0.62 -0.13 1.25 -0.67 0.00 0.00 178.83 179.91 3fwm h LEU 272 N 0.78 -0.30 -0.59 1.46 6.46 -1.23 -2.45 115.31 119.45 3fwm h LEU 272 Ca 0.19 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 3fwm h LEU 272 Cb 0.12 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 3fwm h LEU 272 CO -0.02 -0.21 0.18 -0.37 -0.62 0.00 0.00 178.44 177.40 3fwm h VAL 273 N -0.35 1.24 -0.98 1.05 -1.51 -1.35 0.04 116.25 114.40 3fwm h VAL 273 Ca -0.03 -0.82 0.15 0.00 -1.23 0.00 0.00 66.70 64.76 3fwm h VAL 273 Cb 0.27 0.67 -0.09 0.00 -2.13 0.00 0.00 31.29 30.00 3fwm h VAL 273 CO 0.05 0.31 0.59 0.50 -1.23 0.00 0.00 177.57 177.80 3fwm h LYS 274 N 0.83 0.83 0.15 5.19 3.64 -1.29 0.32 116.57 126.25 3fwm h LYS 274 Ca 0.19 -0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.22 3fwm h LYS 274 Cb 0.29 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3fwm h LYS 274 CO -0.01 0.55 -1.38 -0.91 -2.27 0.00 0.00 179.45 175.43 3fwm h ASN 275 N 0.86 0.49 0.79 4.20 4.21 -1.19 -3.20 115.58 121.74 3fwm h ASN 275 Ca 0.52 -0.57 -0.24 0.00 1.21 0.00 0.00 56.30 57.22 3fwm h ASN 275 Cb 0.65 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.65 3fwm h ASN 275 CO -0.32 1.46 -1.30 0.25 -1.29 0.00 0.00 177.43 176.23 3fwm h LEU 276 N 0.09 0.00 0.00 1.61 6.46 -0.40 -3.41 115.31 119.65 3fwm h LEU 276 Ca -0.19 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3fwm h LEU 276 Cb 2.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.95 3fwm h LEU 276 CO 0.20 1.00 -0.89 0.49 -0.62 0.00 0.00 178.44 178.62 3fwm n PHE 277 N -3.22 0.00 -4.41 1.25 3.72 0.11 -5.05 117.46 109.86 3fwm n PHE 277 Ca -0.07 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.06 3fwm n PHE 277 Cb 0.99 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.44 3fwm n PHE 277 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3fwm s LEU 278 N -2.89 2.89 0.00 4.37 1.43 -1.21 -5.06 118.68 118.22 3fwm s LEU 278 Ca 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 3fwm s LEU 278 Cb 0.00 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 45.12 3fwm s LEU 278 CO 0.00 -0.57 0.00 -1.54 0.23 0.00 0.00 176.35 174.47 3fwm n SER 279 N -1.15 0.86 -4.71 2.29 3.41 -1.26 -4.77 113.62 108.29 3fwm n SER 279 Ca -0.05 -0.36 -0.31 0.00 -0.26 0.00 0.00 58.87 57.88 3fwm n SER 279 Cb 0.66 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.74 3fwm n SER 279 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fwm s SER 280 N -0.45 3.57 0.85 4.04 1.04 -1.26 -5.02 113.70 116.47 3fwm s SER 280 Ca 0.00 2.08 -0.08 0.00 0.48 0.00 0.00 55.95 58.43 3fwm s SER 280 Cb 0.00 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.70 3fwm s SER 280 CO 0.00 -2.67 0.30 -1.84 0.98 0.00 0.00 173.24 170.01 3fwm n GLU 281 N -3.86 -1.12 -1.37 4.02 0.00 -1.26 -4.94 120.64 112.10 3fwm n GLU 281 Ca 0.11 -0.50 -0.29 0.00 0.00 0.00 0.00 57.16 56.48 3fwm n GLU 281 Cb 0.52 -0.95 0.14 0.00 0.00 0.00 0.00 31.44 31.15 3fwm n GLU 281 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3fwm s ARG 282 N -2.90 1.21 -0.01 3.44 1.81 -1.26 -5.11 118.95 116.12 3fwm s ARG 282 Ca 0.23 0.55 -0.00 0.00 -1.72 0.00 0.00 55.73 54.79 3fwm s ARG 282 Cb -0.04 -1.82 -0.00 0.00 -0.45 0.00 0.00 34.95 32.63 3fwm s ARG 282 CO 0.19 -2.21 -0.00 0.77 -0.68 0.00 0.00 175.30 173.37 3fwm h SER 283 N -1.51 0.00 -0.08 0.23 0.02 -1.98 -3.34 113.55 106.89 3fwm h SER 283 Ca -0.50 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 3fwm h SER 283 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3fwm h SER 283 CO 0.59 0.04 -0.04 -1.22 -1.14 0.00 0.00 176.83 175.06 3fwm n TYR 284 N -2.25 -0.01 0.06 3.45 4.02 -1.26 0.20 117.16 121.38 3fwm n TYR 284 Ca -0.00 0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.78 3fwm n TYR 284 Cb 0.00 -0.53 -0.12 0.00 -0.02 0.00 0.00 39.34 38.68 3fwm n TYR 284 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 3fwm h TRP 285 N 0.00 0.90 0.62 -0.72 4.06 -2.00 -2.53 115.95 116.28 3fwm h TRP 285 Ca 0.03 -0.54 -0.02 0.00 2.06 0.00 0.00 58.89 60.41 3fwm h TRP 285 Cb 0.05 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.11 3fwm h TRP 285 CO -0.07 1.39 -0.46 -0.09 -3.56 0.00 0.00 178.44 175.64 3fwm h ARG 286 N 0.16 -1.00 -0.99 0.49 2.43 0.22 -0.38 114.38 115.32 3fwm h ARG 286 Ca -0.15 0.07 0.35 0.00 -0.81 0.00 0.00 59.98 59.44 3fwm h ARG 286 Cb 1.73 0.23 -0.17 0.00 -0.42 0.00 0.00 29.97 31.33 3fwm h ARG 286 CO 0.20 -0.66 0.42 -0.22 -1.51 0.00 0.00 179.97 178.20 3fwm h LYS 287 N -1.03 0.09 0.04 0.20 3.64 0.19 0.88 116.57 120.57 3fwm h LYS 287 Ca -0.08 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.16 3fwm h LYS 287 Cb 0.85 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3fwm h LYS 287 CO 0.04 0.06 -0.54 0.00 -2.27 0.00 0.00 179.45 176.74 3fwm h ALA 288 N 1.94 0.01 -0.91 5.00 0.00 -1.31 -1.81 119.26 122.18 3fwm h ALA 288 Ca 0.75 -0.58 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3fwm h ALA 288 Cb 1.82 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 3fwm h ALA 288 CO -0.75 0.27 0.57 -0.97 0.00 0.00 0.00 179.25 178.36 3fwm h ASN 289 N -0.35 0.88 -0.11 0.00 -1.24 0.87 -1.30 115.58 114.32 3fwm h ASN 289 Ca -0.08 0.02 -0.16 0.00 0.71 0.00 0.00 56.30 56.79 3fwm h ASN 289 Cb 1.32 -0.16 0.01 0.00 0.73 0.00 0.00 38.32 40.21 3fwm h ASN 289 CO 0.10 0.54 -0.57 1.05 -1.29 0.00 0.00 177.43 177.27 3fwm h GLU 290 N 1.00 0.59 -0.81 6.67 4.11 -1.14 -3.01 114.58 121.99 3fwm h GLU 290 Ca 0.41 -0.48 0.18 0.00 0.07 0.00 0.00 59.36 59.54 3fwm h GLU 290 Cb 0.24 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3fwm h GLU 290 CO -0.20 1.10 0.54 0.00 0.07 0.00 0.00 179.01 180.53 3fwm h ALA 291 N 0.49 2.27 -0.16 1.06 0.00 -0.52 0.78 119.26 123.17 3fwm h ALA 291 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3fwm h ALA 291 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3fwm h ALA 291 CO 0.12 -0.50 -0.45 -0.92 0.00 0.00 0.00 179.25 177.49 3fwm h TYR 292 N 0.33 0.76 0.00 0.00 3.20 -1.28 -3.03 116.97 116.94 3fwm h TYR 292 Ca 0.40 -0.30 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3fwm h TYR 292 Cb 1.08 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 3fwm h TYR 292 CO -0.00 1.07 -0.26 0.52 -1.64 0.00 0.00 178.16 177.84 3fwm h MET 293 N 0.24 0.00 -0.19 1.82 2.86 -0.43 -2.54 114.93 116.70 3fwm h MET 293 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3fwm h MET 293 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3fwm h MET 293 CO 0.10 0.26 0.03 0.00 1.06 0.00 0.00 176.91 178.35 3fwm h ALA 294 N 1.74 0.25 -0.32 6.32 0.00 0.48 0.30 119.26 128.02 3fwm h ALA 294 Ca -0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3fwm h ALA 294 Cb 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fwm h ALA 294 CO 0.03 -0.07 -0.37 -0.07 0.00 0.00 0.00 179.25 178.77 3fwm h LEU 295 N 0.10 0.89 -0.27 0.00 4.07 -1.49 0.35 115.31 118.95 3fwm h LEU 295 Ca 0.06 -0.48 0.04 0.00 0.08 0.00 0.00 57.88 57.57 3fwm h LEU 295 Cb 0.33 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.78 3fwm h LEU 295 CO 0.00 1.19 0.05 0.40 -1.08 0.00 0.00 178.44 179.01 3fwm h ILE 296 N 0.60 0.87 0.19 1.22 2.04 -1.44 -0.45 117.51 120.55 3fwm h ILE 296 Ca 0.05 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3fwm h ILE 296 Cb 0.96 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3fwm h ILE 296 CO 0.09 0.03 -0.19 -0.03 0.00 0.00 0.00 178.15 178.05 3fwm h MET 297 N 0.15 -0.37 0.00 2.37 4.05 -0.26 -2.54 114.93 118.34 3fwm h MET 297 Ca 0.12 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3fwm h MET 297 Cb 0.13 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3fwm h MET 297 CO -0.17 -0.25 0.04 -3.47 0.23 0.00 0.00 176.91 173.30 3fwm n ASP 298 N -3.48 0.29 -0.06 1.39 4.64 0.12 -1.34 116.55 118.12 3fwm n ASP 298 Ca -0.05 0.62 -0.04 0.00 -1.38 0.00 0.00 54.79 53.94 3fwm n ASP 298 Cb 0.17 -0.64 -0.04 0.00 -1.04 0.00 0.00 41.12 39.57 3fwm n ASP 298 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fwm h ALA 299 N 1.87 0.00 -0.00 -1.67 0.00 -0.83 -3.38 119.26 115.25 3fwm h ALA 299 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3fwm h ALA 299 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fwm h ALA 299 CO 0.00 0.04 -0.04 0.54 0.00 0.00 0.00 179.25 179.78 3fwm n ARG 300 N -4.72 0.91 -4.18 0.00 5.12 -0.48 -4.85 116.66 108.45 3fwm n ARG 300 Ca -0.04 -0.24 -0.11 0.00 -1.93 0.00 0.00 57.85 55.53 3fwm n ARG 300 Cb 0.15 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.85 3fwm n ARG 300 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3fwm s TYR 301 N -2.26 0.96 0.43 -1.55 2.02 -0.45 -5.09 117.35 111.42 3fwm s TYR 301 Ca 0.36 -0.86 0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3fwm s TYR 301 Cb 0.21 -0.54 -0.00 0.00 -0.40 0.00 0.00 41.96 41.23 3fwm s TYR 301 CO 0.42 -0.10 0.45 -1.54 -1.57 0.00 0.00 175.55 173.21 3fwm s SER 302 N -2.99 5.18 0.00 2.29 1.04 -1.26 -4.63 113.70 113.32 3fwm s SER 302 Ca 0.12 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.85 3fwm s SER 302 Cb 0.04 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.67 3fwm s SER 302 CO -0.03 -0.74 0.00 1.17 0.98 0.00 0.00 173.24 174.61 3fwm n LYS 303 N -1.67 0.00 0.16 4.02 4.81 -1.26 -1.80 118.16 122.42 3fwm n LYS 303 Ca 0.05 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.68 3fwm n LYS 303 Cb 0.61 -0.18 0.79 0.00 0.02 0.00 0.00 35.03 36.27 3fwm n LYS 303 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3fwm h ASP 304 N 0.00 0.00 0.41 3.14 3.45 -2.00 -2.02 116.42 119.40 3fwm h ASP 304 Ca 0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 3fwm h ASP 304 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3fwm h ASP 304 CO 0.00 0.00 -0.63 -0.09 -1.57 0.00 0.00 179.24 176.95 3fwm h ARG 305 N 0.00 0.21 0.13 3.56 9.65 -1.80 -1.98 114.38 124.14 3fwm h ARG 305 Ca 0.13 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3fwm h ARG 305 Cb 0.78 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 3fwm h ARG 305 CO -0.00 0.77 -0.06 0.82 2.80 0.00 0.00 179.97 184.30 3fwm h ILE 306 N 0.15 1.06 0.00 1.20 1.08 -0.57 -2.98 117.51 117.44 3fwm h ILE 306 Ca -0.01 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3fwm h ILE 306 Cb 1.15 1.62 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 3fwm h ILE 306 CO 0.10 0.22 0.00 0.17 -0.69 0.00 0.00 178.15 177.94 3fwm h LEU 307 N -0.63 0.00 -0.96 1.44 -0.00 -1.65 -0.32 115.31 113.20 3fwm h LEU 307 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.76 3fwm h LEU 307 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 3fwm h LEU 307 CO 0.03 0.00 -0.47 -0.08 -0.00 0.00 0.00 178.44 177.92 3fwm h GLU 308 N 0.00 0.00 0.13 0.17 4.81 -1.41 0.54 114.58 118.81 3fwm h GLU 308 Ca 0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 3fwm h GLU 308 Cb 0.78 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 3fwm h GLU 308 CO 0.00 0.47 -1.40 -0.07 -0.73 0.00 0.00 179.01 177.28 3fwm h LEU 309 N 0.00 0.43 0.33 1.64 3.38 -1.24 -3.30 115.31 116.54 3fwm h LEU 309 Ca -0.00 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 3fwm h LEU 309 Cb 0.92 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3fwm h LEU 309 CO 0.06 1.42 -0.16 0.22 0.09 0.00 0.00 178.44 180.07 3fwm h TYR 310 N 0.07 -0.41 0.00 1.13 3.20 -0.80 -2.40 116.97 117.77 3fwm h TYR 310 Ca -0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3fwm h TYR 310 Cb 2.00 0.14 0.00 0.00 1.54 0.00 0.00 36.73 40.41 3fwm h TYR 310 CO 0.07 -0.14 0.00 -1.33 -1.64 0.00 0.00 178.16 175.12 3fwm n MET 311 N -5.20 0.17 0.00 1.82 2.81 0.19 -1.29 117.12 115.62 3fwm n MET 311 Ca -0.10 0.16 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 3fwm n MET 311 Cb 0.24 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.27 3fwm n MET 311 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3fwm n ASN 312 N -1.25 1.56 -0.04 7.83 3.02 -1.10 -0.95 115.26 124.32 3fwm n ASN 312 Ca 0.05 -1.28 -0.04 0.00 -0.03 0.00 0.00 54.58 53.28 3fwm n ASN 312 Cb 0.08 0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.47 3fwm n ASN 312 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3fwm n GLU 313 N 0.12 2.51 -1.69 3.52 4.07 -0.41 -3.81 120.64 124.95 3fwm n GLU 313 Ca 0.05 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.73 3fwm n GLU 313 Cb 0.26 -1.20 -0.01 0.00 -0.06 0.00 0.00 31.44 30.43 3fwm n GLU 313 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3fwm n VAL 314 N -2.33 1.95 -2.46 6.31 0.24 -1.05 -4.22 118.33 116.78 3fwm n VAL 314 Ca -0.13 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.25 3fwm n VAL 314 Cb 0.75 -1.53 -0.02 0.00 -1.47 0.00 0.00 33.84 31.57 3fwm n VAL 314 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3fwm s TYR 315 N -1.04 2.75 0.00 6.34 6.14 -1.26 -0.29 117.35 129.98 3fwm s TYR 315 Ca 0.56 0.90 0.00 0.00 0.64 0.00 0.00 57.07 59.18 3fwm s TYR 315 Cb -0.58 -3.91 0.00 0.00 0.42 0.00 0.00 41.96 37.89 3fwm s TYR 315 CO 0.62 -1.57 0.15 1.28 0.64 0.00 0.00 175.55 176.66 3fwm n LEU 316 N 7.55 0.29 0.00 6.97 4.77 -0.16 -4.35 117.00 132.07 3fwm n LEU 316 Ca 0.14 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3fwm n LEU 316 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 3fwm n LEU 316 CO 0.63 0.07 0.99 0.61 -1.33 0.00 0.00 177.39 178.36 3fwm n GLY 317 N 0.60 0.37 2.80 -0.72 0.00 -0.16 -4.85 105.19 103.23 3fwm n GLY 317 Ca 0.00 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.76 3fwm n GLY 317 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3fwm s GLN 318 N -2.03 0.17 -0.51 1.61 2.00 -1.26 -0.75 119.66 118.89 3fwm s GLN 318 Ca 0.27 0.33 -0.13 0.00 -2.00 0.00 0.00 55.36 53.83 3fwm s GLN 318 Cb -0.02 -0.92 0.12 0.00 0.80 0.00 0.00 33.01 32.99 3fwm s GLN 318 CO 0.02 -0.56 0.43 0.45 -0.50 0.00 0.00 175.29 175.12 3fwm s SER 319 N 2.34 5.96 1.12 6.67 0.15 0.35 -4.92 113.70 125.37 3fwm s SER 319 Ca 0.06 -1.84 0.00 0.00 0.70 0.00 0.00 55.95 54.87 3fwm s SER 319 Cb -0.15 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3fwm s SER 319 CO -0.11 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.16 3fwm n GLY 320 N 5.09 0.74 1.29 9.45 0.00 -1.26 -0.73 105.19 119.77 3fwm n GLY 320 Ca -0.11 0.49 -0.01 0.00 0.00 0.00 0.00 46.02 46.39 3fwm n GLY 320 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fwm n ASP 321 N 8.85 2.21 -4.40 1.61 5.68 -1.26 -5.00 116.55 124.23 3fwm n ASP 321 Ca 0.00 -3.29 -0.33 0.00 -0.50 0.00 0.00 54.79 50.67 3fwm n ASP 321 Cb 0.00 -0.44 -0.14 0.00 -1.14 0.00 0.00 41.12 39.40 3fwm n ASP 321 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3fwm s ASN 322 N -3.10 3.99 -0.02 -1.12 0.01 0.09 -4.91 114.94 109.88 3fwm s ASN 322 Ca 0.39 -0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 51.95 3fwm s ASN 322 Cb 0.38 -1.35 -0.03 0.00 0.41 0.00 0.00 41.25 40.66 3fwm s ASN 322 CO -0.07 0.23 1.05 -1.61 -1.51 0.00 0.00 177.10 175.19 3fwm s GLU 323 N -0.01 4.48 -0.39 -0.60 0.41 0.77 -0.49 118.70 122.86 3fwm s GLU 323 Ca -0.04 1.49 -0.17 0.00 -0.41 0.00 0.00 54.97 55.85 3fwm s GLU 323 Cb -0.14 -3.48 0.01 0.00 -1.78 0.00 0.00 34.13 28.74 3fwm s GLU 323 CO 0.04 -0.20 0.45 0.42 -0.49 0.00 0.00 175.26 175.48 3fwm s ILE 324 N 1.42 5.08 0.16 -1.63 -1.09 0.07 -1.27 121.20 123.93 3fwm s ILE 324 Ca 0.52 -0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.92 3fwm s ILE 324 Cb -0.22 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 3fwm s ILE 324 CO 0.25 -0.31 -0.13 0.00 -1.23 0.00 0.00 174.94 173.51 3fwm s ARG 325 N 2.20 1.15 0.00 2.79 1.70 -1.13 -0.98 118.95 124.68 3fwm s ARG 325 Ca 0.14 -1.43 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 3fwm s ARG 325 Cb -0.16 -0.92 0.00 0.00 -0.57 0.00 0.00 34.95 33.29 3fwm s ARG 325 CO 0.13 0.16 0.00 0.41 -1.08 0.00 0.00 175.30 174.92 3fwm n GLY 326 N -0.00 -0.28 0.27 3.88 0.00 0.60 -4.47 105.19 105.19 3fwm n GLY 326 Ca -0.11 -1.42 -0.07 0.00 0.00 0.00 0.00 46.02 44.41 3fwm n GLY 326 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fwm h PHE 327 N 0.00 0.89 0.18 1.61 0.04 -1.34 -2.82 116.94 115.50 3fwm h PHE 327 Ca 0.00 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.59 3fwm h PHE 327 Cb 0.00 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 37.90 3fwm h PHE 327 CO 0.00 0.91 -0.36 -1.35 -0.60 0.00 0.00 178.31 176.91 3fwm h PRO 328 N 0.70 -0.60 -0.23 1.51 0.11 -1.81 0.54 132.00 132.22 3fwm h PRO 328 Ca 0.10 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.12 3fwm h PRO 328 Cb 0.69 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 3fwm h PRO 328 CO 0.05 -0.40 -0.44 1.25 -0.21 0.00 0.00 178.00 178.25 3fwm h LEU 329 N -0.63 0.60 -0.99 2.35 5.85 -1.77 -3.10 115.31 117.62 3fwm h LEU 329 Ca 0.02 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 3fwm h LEU 329 Cb 0.63 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3fwm h LEU 329 CO -0.17 0.96 0.30 0.00 -0.34 0.00 0.00 178.44 179.18 3fwm h ALA 330 N 1.06 1.20 -0.05 1.25 0.00 -1.30 -0.07 119.26 121.35 3fwm h ALA 330 Ca 0.03 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3fwm h ALA 330 Cb 0.95 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3fwm h ALA 330 CO 0.08 0.59 -0.15 0.77 0.00 0.00 0.00 179.25 180.54 3fwm h SER 331 N 1.01 -0.45 0.57 0.00 0.02 -0.82 0.14 113.55 114.03 3fwm h SER 331 Ca 0.24 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.18 3fwm h SER 331 Cb 0.16 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3fwm h SER 331 CO -0.02 -0.20 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.00 3fwm h LEU 332 N -0.22 0.00 -0.27 5.07 3.38 -1.42 -1.26 115.31 120.59 3fwm h LEU 332 Ca 0.07 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 3fwm h LEU 332 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3fwm h LEU 332 CO -0.19 0.39 -0.76 0.22 0.09 0.00 0.00 178.44 178.19 3fwm h TYR 333 N 0.00 0.81 0.03 1.13 5.03 -0.28 -1.83 116.97 121.86 3fwm h TYR 333 Ca -0.00 -0.36 -0.36 0.00 2.58 0.00 0.00 58.73 60.59 3fwm h TYR 333 Cb 0.78 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.89 3fwm h TYR 333 CO 0.00 1.16 -2.17 0.66 -1.32 0.00 0.00 178.16 176.48 3fwm n TYR 334 N -3.88 0.50 -0.04 -3.82 4.01 -0.03 -4.67 117.16 109.23 3fwm n TYR 334 Ca -0.06 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 3fwm n TYR 334 Cb 0.73 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 3fwm n TYR 334 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fwm n PHE 335 N -3.11 0.00 -2.12 -0.72 3.72 -0.53 -5.01 117.46 109.69 3fwm n PHE 335 Ca -0.33 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 56.89 3fwm n PHE 335 Cb 1.07 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.58 3fwm n PHE 335 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fwm n GLY 336 N 0.65 0.21 3.29 1.37 0.00 -0.69 -4.96 105.19 105.07 3fwm n GLY 336 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 3fwm n GLY 336 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fwm s ARG 337 N -4.54 2.12 0.36 1.61 0.52 -1.20 -4.88 118.95 112.94 3fwm s ARG 337 Ca 0.00 -0.90 -0.26 0.00 -0.52 0.00 0.00 55.73 54.04 3fwm s ARG 337 Cb 0.00 -2.01 -0.12 0.00 0.52 0.00 0.00 34.95 33.34 3fwm s ARG 337 CO 0.00 0.52 1.03 -2.30 0.02 0.00 0.00 175.30 174.57 3fwm n PRO 338 N 2.53 1.42 -0.25 3.54 -0.02 -1.26 -3.05 135.00 137.92 3fwm n PRO 338 Ca -0.16 0.50 0.20 0.00 -2.02 0.00 0.00 63.50 62.02 3fwm n PRO 338 Cb 0.51 -1.98 0.52 0.00 -0.02 0.00 0.00 33.50 32.54 3fwm n PRO 338 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3fwm h VAL 339 N 1.83 0.66 0.00 -1.45 3.04 -1.86 0.13 116.25 118.59 3fwm h VAL 339 Ca -0.42 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 3fwm h VAL 339 Cb 1.33 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 3fwm h VAL 339 CO 0.59 0.07 0.00 1.21 -1.01 0.00 0.00 177.57 178.43 3fwm n GLU 340 N -4.51 0.05 0.00 4.17 2.13 -1.26 -2.74 120.64 118.48 3fwm n GLU 340 Ca 0.20 0.45 0.00 0.00 0.66 0.00 0.00 57.16 58.47 3fwm n GLU 340 Cb 0.72 -1.63 0.00 0.00 0.27 0.00 0.00 31.44 30.81 3fwm n GLU 340 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3fwm n GLU 341 N -1.72 2.47 -1.74 5.31 1.02 0.44 -4.72 120.64 121.69 3fwm n GLU 341 Ca 0.01 -1.33 -0.41 0.00 -0.02 0.00 0.00 57.16 55.41 3fwm n GLU 341 Cb 0.08 -0.94 0.01 0.00 -0.02 0.00 0.00 31.44 30.56 3fwm n GLU 341 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3fwm n LEU 342 N -0.42 4.40 -4.84 -4.62 4.77 -1.11 -4.96 117.00 110.23 3fwm n LEU 342 Ca 0.00 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.85 3fwm n LEU 342 Cb 0.27 -1.56 0.08 0.00 -2.33 0.00 0.00 43.42 39.88 3fwm n LEU 342 CO 0.00 -0.25 0.73 -0.94 -1.33 0.00 0.00 177.39 175.60 3fwm s SER 343 N -0.35 4.80 0.32 -1.43 1.04 -1.26 -4.87 113.70 111.95 3fwm s SER 343 Ca 0.57 1.17 0.05 0.00 0.48 0.00 0.00 55.95 58.22 3fwm s SER 343 Cb -0.50 -1.90 0.55 0.00 0.10 0.00 0.00 66.02 64.27 3fwm s SER 343 CO 0.61 -1.76 1.80 0.25 0.98 0.00 0.00 173.24 175.12 3fwm h LEU 344 N -0.94 0.41 -0.79 2.42 5.85 -1.98 -0.28 115.31 119.99 3fwm h LEU 344 Ca -0.46 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.09 3fwm h LEU 344 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3fwm h LEU 344 CO 0.62 0.60 0.27 -2.24 -0.34 0.00 0.00 178.44 177.35 3fwm h ASP 345 N 0.39 1.09 0.41 1.25 2.03 -1.99 0.44 116.42 120.04 3fwm h ASP 345 Ca 0.07 -0.19 -0.13 0.00 -0.73 0.00 0.00 57.03 56.05 3fwm h ASP 345 Cb 0.52 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 3fwm h ASP 345 CO 0.03 0.99 -0.55 1.56 -1.03 0.00 0.00 179.24 180.24 3fwm h GLN 346 N 1.13 0.15 -0.44 4.15 4.20 -1.75 -2.51 115.11 120.05 3fwm h GLN 346 Ca 0.25 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.72 3fwm h GLN 346 Cb 0.27 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3fwm h GLN 346 CO -0.01 0.67 -0.30 1.96 -0.67 0.00 0.00 178.83 180.47 3fwm h GLN 347 N 0.12 0.97 -0.52 1.46 4.20 -0.57 -2.54 115.11 118.23 3fwm h GLN 347 Ca -0.00 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.20 3fwm h GLN 347 Cb 1.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3fwm h GLN 347 CO 0.08 1.13 0.14 0.00 -0.67 0.00 0.00 178.83 179.52 3fwm h ALA 348 N 0.82 1.28 0.45 3.87 0.00 -0.83 -1.70 119.26 123.15 3fwm h ALA 348 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3fwm h ALA 348 Cb 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3fwm h ALA 348 CO 0.08 0.51 -0.22 1.25 0.00 0.00 0.00 179.25 180.88 3fwm h LEU 349 N 0.76 -0.51 -0.41 0.00 5.85 -1.28 0.28 115.31 120.00 3fwm h LEU 349 Ca 0.17 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.96 3fwm h LEU 349 Cb 0.25 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3fwm h LEU 349 CO -0.01 -0.31 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.19 3fwm h LEU 350 N -0.73 -1.76 -0.66 2.25 4.07 -1.49 0.39 115.31 117.37 3fwm h LEU 350 Ca -0.06 0.24 0.13 0.00 0.08 0.00 0.00 57.88 58.26 3fwm h LEU 350 Cb 0.46 0.73 -0.09 0.00 1.08 0.00 0.00 40.66 42.84 3fwm h LEU 350 CO 0.10 -0.40 0.18 0.58 -1.08 0.00 0.00 178.44 177.82 3fwm h VAL 351 N -0.39 0.63 -0.76 1.22 2.07 -1.35 0.18 116.25 117.86 3fwm h VAL 351 Ca 0.09 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.56 3fwm h VAL 351 Cb 0.60 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3fwm h VAL 351 CO -0.59 0.06 0.45 1.23 0.02 0.00 0.00 177.57 178.73 3fwm h GLY 352 N 0.31 1.13 2.00 2.17 0.00 0.14 -1.30 103.07 107.52 3fwm h GLY 352 Ca 0.36 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3fwm h GLY 352 CO -0.42 0.21 0.00 1.03 0.00 0.00 0.00 176.54 177.36 3fwm n MET 353 N -4.71 0.02 0.01 4.80 2.00 0.12 -2.79 117.12 116.57 3fwm n MET 353 Ca 0.10 0.40 0.01 0.00 0.00 0.00 0.00 57.70 58.22 3fwm n MET 353 Cb 0.18 -1.54 0.34 0.00 0.00 0.00 0.00 33.22 32.20 3fwm n MET 353 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3fwm h VAL 354 N 0.00 1.17 0.00 2.03 3.04 -0.89 0.11 116.25 121.71 3fwm h VAL 354 Ca 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3fwm h VAL 354 Cb 0.12 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 3fwm h VAL 354 CO 0.00 0.21 0.00 0.29 -1.01 0.00 0.00 177.57 177.06 3fwm n LYS 355 N -4.34 0.19 0.00 4.17 5.02 -1.12 -4.57 118.16 117.51 3fwm n LYS 355 Ca 0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 3fwm n LYS 355 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3fwm n LYS 355 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fwm n GLY 356 N 0.15 -1.36 0.23 0.72 0.00 -0.68 -5.06 105.19 99.20 3fwm n GLY 356 Ca 0.07 0.73 0.04 0.00 0.00 0.00 0.00 46.02 46.86 3fwm n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwm h ALA 357 N 0.00 1.64 -0.33 4.61 0.00 -1.02 -1.98 119.26 122.19 3fwm h ALA 357 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 3fwm h ALA 357 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fwm h ALA 357 CO 0.00 0.26 -0.39 0.77 0.00 0.00 0.00 179.25 179.90 3fwm h SER 358 N 0.09 0.84 1.10 0.00 0.02 -1.89 -0.55 113.55 113.15 3fwm h SER 358 Ca 0.02 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3fwm h SER 358 Cb 0.32 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3fwm h SER 358 CO 0.02 1.12 -0.61 0.16 -1.14 0.00 0.00 176.83 176.38 3fwm h ILE 359 N 0.65 0.00 -0.31 3.27 -0.00 -1.90 -3.20 117.51 116.01 3fwm h ILE 359 Ca 0.06 -0.71 0.00 0.00 -0.00 0.00 0.00 64.86 64.21 3fwm h ILE 359 Cb 0.94 1.35 0.00 0.00 -0.00 0.00 0.00 36.82 39.11 3fwm h ILE 359 CO 0.09 0.00 0.00 -1.22 -0.00 0.00 0.00 178.15 177.02 3fwm n TYR 360 N -2.42 0.39 -1.50 0.16 4.01 -0.76 -4.74 117.16 112.29 3fwm n TYR 360 Ca 0.03 -0.20 -0.54 0.00 -0.16 0.00 0.00 57.90 57.03 3fwm n TYR 360 Cb 0.48 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.44 3fwm n TYR 360 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3fwm n ASN 361 N 1.34 2.05 0.21 7.72 2.85 -0.22 -4.60 115.26 124.61 3fwm n ASN 361 Ca 0.18 0.66 0.05 0.00 -0.11 0.00 0.00 54.58 55.36 3fwm n ASN 361 Cb 0.58 -1.18 0.47 0.00 1.24 0.00 0.00 39.78 40.89 3fwm n ASN 361 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3fwm h PRO 362 N 10.29 0.03 0.15 1.20 0.11 -1.87 -2.65 132.00 139.26 3fwm h PRO 362 Ca -0.31 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3fwm h PRO 362 Cb 1.33 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3fwm h PRO 362 CO 1.01 0.22 -0.07 -1.49 -0.21 0.00 0.00 178.00 177.46 3fwm h TRP 363 N 0.02 -0.18 0.00 0.65 4.06 -1.99 -3.31 115.95 115.21 3fwm h TRP 363 Ca 0.00 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3fwm h TRP 363 Cb 0.37 0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 3fwm h TRP 363 CO 0.00 0.22 0.00 0.54 -3.56 0.00 0.00 178.44 175.64 3fwm n ARG 364 N -4.89 0.00 -3.95 0.49 3.00 -1.17 -4.49 116.66 105.65 3fwm n ARG 364 Ca -0.07 0.21 -0.32 0.00 -0.01 0.00 0.00 57.85 57.66 3fwm n ARG 364 Cb 0.24 -1.09 -0.14 0.00 0.00 0.00 0.00 32.46 31.48 3fwm n ARG 364 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3fwm s ASN 365 N -2.25 4.87 0.00 0.55 2.20 -1.01 -4.98 114.94 114.32 3fwm s ASN 365 Ca 0.00 -2.21 0.17 0.00 -0.94 0.00 0.00 52.86 49.88 3fwm s ASN 365 Cb 0.00 -1.68 0.87 0.00 -2.00 0.00 0.00 41.25 38.43 3fwm s ASN 365 CO 0.00 -0.41 1.52 -2.65 -2.94 0.00 0.00 177.10 172.63 3fwm n PRO 366 N 4.23 0.22 -0.08 3.55 -0.02 -1.24 -3.74 135.00 137.92 3fwm n PRO 366 Ca 0.03 0.13 -0.10 0.00 -2.02 0.00 0.00 63.50 61.54 3fwm n PRO 366 Cb 0.41 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 3fwm n PRO 366 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fwm h LYS 367 N 0.00 0.00 0.00 -0.52 1.57 -1.92 -2.00 116.57 113.71 3fwm h LYS 367 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fwm h LYS 367 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3fwm h LYS 367 CO 0.00 0.40 0.00 1.28 -0.57 0.00 0.00 179.45 180.56 3fwm n LEU 368 N -4.60 0.00 -0.12 2.94 4.77 -1.25 -1.28 117.00 117.46 3fwm n LEU 368 Ca -0.13 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.66 3fwm n LEU 368 Cb 0.35 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 3fwm n LEU 368 CO 0.14 0.00 -1.28 0.00 -1.33 0.00 0.00 177.39 174.92 3fwm n ALA 369 N -0.56 1.48 0.21 -1.18 0.00 -1.23 -3.86 120.51 115.37 3fwm n ALA 369 Ca 0.02 -0.98 0.10 0.00 0.00 0.00 0.00 53.44 52.58 3fwm n ALA 369 Cb 0.01 0.04 0.26 0.00 0.00 0.00 0.00 19.45 19.76 3fwm n ALA 369 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fwm h LEU 370 N -0.29 0.00 0.00 0.00 6.46 -0.90 0.18 115.31 120.75 3fwm h LEU 370 Ca -0.55 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.21 3fwm h LEU 370 Cb 1.71 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.64 3fwm h LEU 370 CO -0.18 0.14 -0.41 -0.08 -0.62 0.00 0.00 178.44 177.30 3fwm h GLU 371 N 0.00 0.00 0.00 1.25 4.81 -1.41 -2.53 114.58 116.70 3fwm h GLU 371 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 3fwm h GLU 371 Cb 0.97 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3fwm h GLU 371 CO 0.02 0.00 -1.98 -2.13 -0.73 0.00 0.00 179.01 174.19 3fwm n ARG 372 N -2.91 0.66 0.02 1.92 0.00 -1.12 -2.90 116.66 112.33 3fwm n ARG 372 Ca 0.02 0.04 -0.12 0.00 -0.00 0.00 0.00 57.85 57.79 3fwm n ARG 372 Cb 0.54 -1.62 -0.08 0.00 0.00 0.00 0.00 32.46 31.29 3fwm n ARG 372 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3fwm h ARG 373 N 0.00 -0.01 -0.52 -0.14 1.12 -0.72 -2.81 114.38 111.30 3fwm h ARG 373 Ca -0.31 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.49 3fwm h ARG 373 Cb 1.80 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.74 3fwm h ARG 373 CO 0.03 0.23 0.05 -0.91 -3.11 0.00 0.00 179.97 176.27 3fwm h ASN 374 N -0.24 0.81 -0.54 -3.80 4.21 -1.60 -2.43 115.58 111.98 3fwm h ASN 374 Ca -0.00 -0.18 0.07 0.00 1.21 0.00 0.00 56.30 57.40 3fwm h ASN 374 Cb 0.24 -0.21 -0.10 0.00 -1.12 0.00 0.00 38.32 37.13 3fwm h ASN 374 CO 0.00 0.84 -0.48 -0.07 -1.29 0.00 0.00 177.43 176.43 3fwm h LEU 375 N 0.80 -1.65 -0.39 1.61 3.38 -1.51 -0.63 115.31 116.93 3fwm h LEU 375 Ca 0.16 0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.43 3fwm h LEU 375 Cb 0.41 0.72 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3fwm h LEU 375 CO 0.01 -0.35 0.10 0.58 0.09 0.00 0.00 178.44 178.87 3fwm h VAL 376 N -0.28 0.84 -0.91 1.22 2.07 -1.18 -0.57 116.25 117.44 3fwm h VAL 376 Ca 0.14 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.72 3fwm h VAL 376 Cb 0.57 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 3fwm h VAL 376 CO -0.67 0.04 0.52 -0.07 0.02 0.00 0.00 177.57 177.42 3fwm h LEU 377 N 0.24 0.70 -1.71 2.57 3.38 -1.03 -1.97 115.31 117.49 3fwm h LEU 377 Ca 0.18 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3fwm h LEU 377 Cb 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fwm h LEU 377 CO -0.22 0.33 0.00 0.54 0.09 0.00 0.00 178.44 179.18 3fwm n ARG 378 N -4.77 0.64 0.01 1.13 1.74 -0.22 -5.11 116.66 110.08 3fwm n ARG 378 Ca 0.18 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3fwm n ARG 378 Cb 0.41 -1.22 -0.00 0.00 -1.02 0.00 0.00 32.46 30.63 3fwm n ARG 378 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3fwm n LEU 379 N 0.54 0.18 -1.28 0.55 4.77 -0.74 -5.04 117.00 115.97 3fwm n LEU 379 Ca 0.00 0.02 -0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3fwm n LEU 379 Cb 0.28 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3fwm n LEU 379 CO 0.00 -0.54 -0.01 0.52 -1.33 0.00 0.00 177.39 176.03 3fwm n VAL 407 N -2.66 -2.73 0.03 4.08 0.31 -1.26 -5.13 118.33 110.96 3fwm n VAL 407 Ca -0.00 0.06 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 3fwm n VAL 407 Cb 0.00 -3.32 -0.12 0.00 -0.91 0.00 0.00 33.84 29.49 3fwm n VAL 407 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 3fwm h ILE 408 N 0.08 1.31 -2.18 2.52 6.09 -1.98 -3.43 117.51 119.93 3fwm h ILE 408 Ca -0.01 -3.07 -0.37 0.00 -1.37 0.00 0.00 64.86 60.04 3fwm h ILE 408 Cb 0.01 2.64 -0.34 0.00 0.47 0.00 0.00 36.82 39.61 3fwm h ILE 408 CO 0.00 0.75 -0.68 -0.55 -3.07 0.00 0.00 178.15 174.60 3fwm s SER 409 N -6.43 1.78 0.27 2.19 0.15 -1.26 -4.95 113.70 105.46 3fwm s SER 409 Ca -0.01 -1.13 -0.29 0.00 0.70 0.00 0.00 55.95 55.21 3fwm s SER 409 Cb 0.09 0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 64.70 3fwm s SER 409 CO 0.82 -0.35 1.05 -2.84 1.20 0.00 0.00 173.24 173.12 3fwm s PRO 410 N 1.99 4.68 -1.29 5.44 0.02 -1.26 -4.10 135.00 140.48 3fwm s PRO 410 Ca 0.12 1.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 3fwm s PRO 410 Cb -0.15 -3.18 -0.00 0.00 0.02 0.00 0.00 34.50 31.18 3fwm s PRO 410 CO -0.23 0.29 0.72 1.04 -0.33 0.00 0.00 177.00 178.49 3fwm n GLN 411 N 1.21 -4.87 -0.34 5.54 1.13 -1.26 -4.77 117.38 114.02 3fwm n GLN 411 Ca -0.01 0.63 0.06 0.00 -1.94 0.00 0.00 57.00 55.74 3fwm n GLN 411 Cb 0.46 -5.20 0.22 0.00 0.11 0.00 0.00 30.24 25.83 3fwm n GLN 411 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 3fwm h PRO 412 N -1.86 0.90 -0.05 -1.09 0.11 -1.85 0.16 132.00 128.32 3fwm h PRO 412 Ca -0.61 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.43 3fwm h PRO 412 Cb 1.36 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fwm h PRO 412 CO 0.56 0.59 -0.01 0.00 -0.21 0.00 0.00 178.00 178.93 3fwm h ALA 413 N 1.52 0.07 -0.48 -0.75 0.00 -1.89 -2.61 119.26 115.12 3fwm h ALA 413 Ca 0.47 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3fwm h ALA 413 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3fwm h ALA 413 CO -0.27 -0.24 -0.11 0.35 0.00 0.00 0.00 179.25 178.98 3fwm h PHE 414 N -0.22 0.98 0.00 0.00 3.04 -1.63 -2.73 116.94 116.38 3fwm h PHE 414 Ca 0.01 -0.19 -0.01 0.00 3.98 0.00 0.00 57.97 61.76 3fwm h PHE 414 Cb 0.37 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 3fwm h PHE 414 CO 0.04 0.94 -0.05 0.52 -2.02 0.00 0.00 178.31 177.74 3fwm h MET 415 N 0.79 0.00 -0.61 1.11 2.86 -0.64 -1.21 114.93 117.23 3fwm h MET 415 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3fwm h MET 415 Cb 0.63 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 3fwm h MET 415 CO 0.04 0.05 0.39 1.96 1.06 0.00 0.00 176.91 180.42 3fwm h GLN 416 N 0.00 0.81 -0.16 1.72 4.20 -1.14 0.28 115.11 120.82 3fwm h GLN 416 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3fwm h GLN 416 Cb 0.11 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3fwm h GLN 416 CO 0.01 0.55 0.04 1.25 -0.67 0.00 0.00 178.83 180.01 3fwm h LEU 417 N 0.83 0.25 -0.08 1.46 5.85 -1.36 -1.88 115.31 120.38 3fwm h LEU 417 Ca 0.22 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3fwm h LEU 417 Cb -0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3fwm h LEU 417 CO -0.05 0.42 -0.17 0.58 -0.34 0.00 0.00 178.44 178.88 3fwm h VAL 418 N 0.07 0.56 -0.56 1.05 2.07 -0.80 0.92 116.25 119.56 3fwm h VAL 418 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3fwm h VAL 418 Cb 0.26 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3fwm h VAL 418 CO 0.00 0.00 0.29 0.03 0.02 0.00 0.00 177.57 177.91 3fwm h ARG 419 N -0.24 0.54 -0.33 1.57 3.08 -0.38 -1.03 114.38 117.60 3fwm h ARG 419 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3fwm h ARG 419 Cb 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3fwm h ARG 419 CO -0.22 0.36 0.18 0.37 -1.07 0.00 0.00 179.97 179.58 3fwm h GLN 420 N 0.56 0.46 -0.27 0.04 4.15 -1.07 -2.49 115.11 116.48 3fwm h GLN 420 Ca 0.25 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 3fwm h GLN 420 Cb 0.15 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3fwm h GLN 420 CO -0.17 0.39 -0.01 1.49 -1.93 0.00 0.00 178.83 178.60 3fwm h GLU 421 N 0.41 0.41 -0.33 1.69 4.81 -0.22 -2.27 114.58 119.08 3fwm h GLU 421 Ca 0.11 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3fwm h GLU 421 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3fwm h GLU 421 CO -0.02 0.44 0.04 -0.07 -0.73 0.00 0.00 179.01 178.68 3fwm h LEU 422 N 0.40 0.53 -0.01 1.64 3.38 -0.98 -0.45 115.31 119.82 3fwm h LEU 422 Ca 0.09 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3fwm h LEU 422 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3fwm h LEU 422 CO 0.01 0.67 -0.11 -0.61 0.09 0.00 0.00 178.44 178.49 3fwm h GLN 423 N 0.37 -0.17 -0.69 1.13 5.75 -1.34 -0.16 115.11 120.00 3fwm h GLN 423 Ca 0.10 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.66 3fwm h GLN 423 Cb 0.37 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.91 3fwm h GLN 423 CO 0.01 -0.11 0.40 0.00 -2.65 0.00 0.00 178.83 176.48 3fwm h ALA 424 N 0.81 0.92 0.00 3.38 0.00 -1.29 -0.41 119.26 122.67 3fwm h ALA 424 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3fwm h ALA 424 Cb 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fwm h ALA 424 CO -0.12 0.11 -0.05 0.87 0.00 0.00 0.00 179.25 180.06 3fwm h LYS 425 N 0.75 0.00 0.00 0.00 1.79 -0.80 -3.40 116.57 114.92 3fwm h LYS 425 Ca 0.30 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.76 3fwm h LYS 425 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 3fwm h LYS 425 CO -0.16 0.65 -1.88 1.28 -1.08 0.00 0.00 179.45 178.26 3fwm n LEU 426 N -4.66 0.00 0.00 2.94 4.77 -0.10 -5.10 117.00 114.85 3fwm n LEU 426 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3fwm n LEU 426 Cb 0.33 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3fwm n LEU 426 CO 0.22 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3fwm n GLY 427 N 1.44 -0.98 0.07 -0.72 0.00 -0.16 -3.99 105.19 100.86 3fwm n GLY 427 Ca -0.04 -1.21 0.13 0.00 0.00 0.00 0.00 46.02 44.90 3fwm n GLY 427 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fwm n ASP 428 N -0.06 0.65 -3.41 1.61 8.00 -1.26 -4.31 116.55 117.77 3fwm n ASP 428 Ca 0.00 0.38 -0.40 0.00 0.71 0.00 0.00 54.79 55.49 3fwm n ASP 428 Cb 0.00 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 3fwm n ASP 428 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3fwm n LYS 429 N -2.07 3.52 0.02 -1.24 3.00 -1.26 -4.14 118.16 116.00 3fwm n LYS 429 Ca 0.05 -2.31 0.00 0.00 -0.00 0.00 0.00 58.31 56.06 3fwm n LYS 429 Cb 0.41 -2.91 0.00 0.00 0.00 0.00 0.00 35.03 32.53 3fwm n LYS 429 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 3fwm n VAL 430 N 3.92 0.07 0.88 3.15 3.14 -1.26 -4.85 118.33 123.37 3fwm n VAL 430 Ca 0.73 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 62.13 3fwm n VAL 430 Cb 0.27 -0.40 0.02 0.00 -1.06 0.00 0.00 33.84 32.67 3fwm n VAL 430 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3fwm n LYS 431 N -2.69 1.22 0.22 1.45 3.00 -1.26 0.16 118.16 120.26 3fwm n LYS 431 Ca 0.00 -0.19 0.08 0.00 -0.00 0.00 0.00 58.31 58.19 3fwm n LYS 431 Cb 0.00 -1.49 0.48 0.00 0.00 0.00 0.00 35.03 34.03 3fwm n LYS 431 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 3fwm h ASP 432 N 0.22 0.00 -3.79 3.14 -0.00 -1.89 -3.46 116.42 110.65 3fwm h ASP 432 Ca 0.01 0.00 -0.49 0.00 -0.00 0.00 0.00 57.03 56.54 3fwm h ASP 432 Cb 0.66 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 40.01 3fwm h ASP 432 CO 0.04 0.27 0.17 -0.76 -0.00 0.00 0.00 179.24 178.96 3fwm s LEU 433 N -7.33 3.70 0.06 2.28 1.43 0.12 -5.09 118.68 113.85 3fwm s LEU 433 Ca -0.01 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.29 3fwm s LEU 433 Cb 0.12 -4.08 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 3fwm s LEU 433 CO 0.66 -0.51 -0.04 -0.55 0.23 0.00 0.00 176.35 176.14 3fwm s SER 434 N -3.46 4.81 -1.32 2.29 0.15 -1.26 -4.71 113.70 110.20 3fwm s SER 434 Ca 0.52 -0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 3fwm s SER 434 Cb -0.10 -1.12 0.02 0.00 -1.71 0.00 0.00 66.02 63.11 3fwm s SER 434 CO 0.37 0.22 0.97 0.61 1.20 0.00 0.00 173.24 176.61 3fwm n GLY 435 N 0.98 -0.41 3.80 9.45 0.00 -0.07 -4.16 105.19 114.77 3fwm n GLY 435 Ca -0.13 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3fwm n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwm s VAL 436 N -3.42 4.54 -0.20 1.61 1.01 -1.26 -1.83 120.40 120.85 3fwm s VAL 436 Ca 0.26 1.42 -0.03 0.00 0.00 0.00 0.00 61.98 63.63 3fwm s VAL 436 Cb -0.12 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3fwm s VAL 436 CO 0.77 0.40 -0.07 -0.54 0.00 0.00 0.00 175.10 175.66 3fwm s LYS 437 N -1.48 3.37 -0.29 2.72 1.02 0.78 -1.01 119.74 124.85 3fwm s LYS 437 Ca 0.37 -0.64 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 3fwm s LYS 437 Cb -0.20 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 3fwm s LYS 437 CO 0.22 -0.09 0.12 0.42 -0.92 0.00 0.00 175.35 175.10 3fwm s ILE 438 N 1.16 4.36 -0.33 2.17 1.01 0.51 -0.69 121.20 129.39 3fwm s ILE 438 Ca 0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 3fwm s ILE 438 Cb -0.14 -3.20 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 3fwm s ILE 438 CO -0.02 0.12 0.20 -0.36 0.00 0.00 0.00 174.94 174.89 3fwm s PHE 439 N 1.58 3.21 0.20 3.97 0.08 -0.07 -0.64 117.98 126.31 3fwm s PHE 439 Ca 0.04 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3fwm s PHE 439 Cb -0.17 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 3fwm s PHE 439 CO 0.05 -0.43 0.25 0.25 -0.10 0.00 0.00 175.22 175.24 3fwm n THR 440 N 5.05 0.00 0.58 0.64 -2.24 -0.27 -0.28 114.28 117.76 3fwm n THR 440 Ca -0.13 -0.70 0.08 0.00 -2.27 0.00 0.00 64.05 61.03 3fwm n THR 440 Cb 0.49 -0.73 0.08 0.00 -2.10 0.00 0.00 70.33 68.07 3fwm n THR 440 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3fwm n THR 441 N -1.35 0.10 -1.68 4.28 -2.24 -0.59 -3.79 114.28 109.01 3fwm n THR 441 Ca 0.04 -0.55 -0.45 0.00 -2.27 0.00 0.00 64.05 60.82 3fwm n THR 441 Cb 0.21 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 3fwm n THR 441 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3fwm n PHE 442 N 0.92 2.38 -3.59 4.78 7.35 -1.25 -4.34 117.46 123.70 3fwm n PHE 442 Ca 0.10 0.15 -0.41 0.00 -0.76 0.00 0.00 57.45 56.53 3fwm n PHE 442 Cb 0.41 -2.60 -0.11 0.00 0.35 0.00 0.00 39.48 37.53 3fwm n PHE 442 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3fwm s ASP 443 N 1.68 5.76 0.28 -2.13 3.68 0.88 -0.88 116.67 125.93 3fwm s ASP 443 Ca 0.81 -0.94 -0.03 0.00 2.13 0.00 0.00 52.55 54.52 3fwm s ASP 443 Cb -0.64 -2.04 0.37 0.00 -1.45 0.00 0.00 42.92 39.17 3fwm s ASP 443 CO 0.39 -0.37 1.94 0.28 0.13 0.00 0.00 175.17 177.55 3fwm h SER 444 N 8.45 1.04 -0.31 -0.34 0.02 -1.91 -0.87 113.55 119.62 3fwm h SER 444 Ca -0.26 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.57 3fwm h SER 444 Cb 1.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3fwm h SER 444 CO 0.67 0.74 -0.18 0.58 -1.14 0.00 0.00 176.83 177.50 3fwm h VAL 445 N 1.22 1.29 -0.55 2.27 2.07 -1.92 -1.69 116.25 118.94 3fwm h VAL 445 Ca 0.34 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 3fwm h VAL 445 Cb -0.10 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3fwm h VAL 445 CO -0.08 0.42 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 3fwm h ALA 446 N 0.75 0.74 -0.12 1.67 0.00 -1.85 -1.66 119.26 118.79 3fwm h ALA 446 Ca 0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fwm h ALA 446 Cb 0.72 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3fwm h ALA 446 CO 0.05 0.59 0.07 0.37 0.00 0.00 0.00 179.25 180.33 3fwm h GLN 447 N 0.86 0.17 -0.62 0.00 5.75 -1.16 0.00 115.11 120.12 3fwm h GLN 447 Ca 0.15 -0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.74 3fwm h GLN 447 Cb 0.56 -0.03 -0.08 0.00 1.07 0.00 0.00 27.48 29.00 3fwm h GLN 447 CO 0.03 0.19 0.19 -0.44 -2.65 0.00 0.00 178.83 176.15 3fwm h ASP 448 N 0.11 0.13 -0.18 -0.69 3.32 -1.16 0.52 116.42 118.47 3fwm h ASP 448 Ca 0.04 0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 3fwm h ASP 448 Cb 0.06 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3fwm h ASP 448 CO -0.01 0.08 -0.33 0.00 -1.72 0.00 0.00 179.24 177.26 3fwm h ALA 449 N 1.45 0.83 -0.22 3.45 0.00 -0.79 -1.64 119.26 122.35 3fwm h ALA 449 Ca 0.32 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3fwm h ALA 449 Cb 0.44 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fwm h ALA 449 CO -0.36 0.64 -0.35 0.00 0.00 0.00 0.00 179.25 179.18 3fwm h ALA 450 N 1.05 0.34 -0.77 0.00 0.00 -0.27 -1.75 119.26 117.86 3fwm h ALA 450 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3fwm h ALA 450 Cb 0.84 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3fwm h ALA 450 CO 0.07 0.40 0.51 0.93 0.00 0.00 0.00 179.25 181.17 3fwm h GLU 451 N 0.33 1.01 -0.41 0.00 5.08 -0.89 0.24 114.58 119.95 3fwm h GLU 451 Ca 0.02 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3fwm h GLU 451 Cb 0.94 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 3fwm h GLU 451 CO 0.08 0.67 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.44 3fwm h LYS 452 N 1.04 0.72 -0.30 2.33 3.64 -1.24 0.18 116.57 122.94 3fwm h LYS 452 Ca 0.28 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3fwm h LYS 452 Cb -0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3fwm h LYS 452 CO -0.06 0.80 -0.11 0.00 -2.27 0.00 0.00 179.45 177.81 3fwm h ALA 453 N 1.23 0.42 0.01 5.00 0.00 -0.68 -1.41 119.26 123.84 3fwm h ALA 453 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3fwm h ALA 453 Cb 0.56 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fwm h ALA 453 CO 0.03 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.54 3fwm h ALA 454 N 0.78 -0.03 -0.43 0.00 0.00 -0.79 0.40 119.26 119.18 3fwm h ALA 454 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3fwm h ALA 454 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3fwm h ALA 454 CO 0.04 -0.52 -0.02 0.28 0.00 0.00 0.00 179.25 179.02 3fwm h VAL 455 N -0.05 1.26 0.12 0.00 2.07 -0.59 -2.95 116.25 116.12 3fwm h VAL 455 Ca 0.01 -1.07 -0.35 0.00 0.82 0.00 0.00 66.70 66.11 3fwm h VAL 455 Cb 0.06 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3fwm h VAL 455 CO -0.02 0.37 -1.89 -0.33 0.02 0.00 0.00 177.57 175.72 3fwm h GLU 456 N 0.62 0.26 -0.83 1.57 5.08 -1.32 -3.39 114.58 116.57 3fwm h GLU 456 Ca 0.12 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3fwm h GLU 456 Cb 0.52 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3fwm h GLU 456 CO 0.03 1.15 0.53 0.78 -1.00 0.00 0.00 179.01 180.49 3fwm h GLY 457 N 1.33 1.19 0.65 -3.84 0.00 -0.28 -3.00 103.07 99.12 3fwm h GLY 457 Ca -0.38 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.45 3fwm h GLY 457 CO 0.11 0.46 -0.06 -2.22 0.00 0.00 0.00 176.54 174.82 3fwm h ILE 458 N 1.13 1.35 -0.20 2.60 1.08 -1.67 -1.03 117.51 120.78 3fwm h ILE 458 Ca 0.30 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 3fwm h ILE 458 Cb -0.09 1.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 3fwm h ILE 458 CO -0.06 0.33 0.13 -0.65 -0.69 0.00 0.00 178.15 177.21 3fwm h PRO 459 N -0.22 0.22 -0.44 2.37 0.11 -1.75 -1.63 132.00 130.65 3fwm h PRO 459 Ca 0.01 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 3fwm h PRO 459 Cb 0.55 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3fwm h PRO 459 CO 0.02 0.14 -0.22 0.00 -0.21 0.00 0.00 178.00 177.73 3fwm h ALA 460 N 1.88 0.62 -0.25 -0.75 0.00 -1.30 -1.65 119.26 117.81 3fwm h ALA 460 Ca 0.08 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3fwm h ALA 460 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fwm h ALA 460 CO -0.02 0.61 -0.18 -0.07 0.00 0.00 0.00 179.25 179.59 3fwm h LEU 461 N 0.76 0.42 -0.29 0.00 3.38 -0.58 -1.16 115.31 117.84 3fwm h LEU 461 Ca 0.10 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3fwm h LEU 461 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3fwm h LEU 461 CO 0.07 0.62 -0.75 0.11 0.09 0.00 0.00 178.44 178.58 3fwm h LYS 462 N 0.39 0.58 -0.35 1.13 1.57 -1.21 -2.49 116.57 116.20 3fwm h LYS 462 Ca 0.07 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 3fwm h LYS 462 Cb 0.55 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 3fwm h LYS 462 CO 0.04 1.10 -0.08 0.87 -0.57 0.00 0.00 179.45 180.80 3fwm h LYS 463 N 0.40 0.67 0.00 3.15 1.79 -1.18 1.08 116.57 122.48 3fwm h LYS 463 Ca -0.04 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 3fwm h LYS 463 Cb 1.35 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3fwm h LYS 463 CO 0.14 0.83 0.00 0.37 -1.08 0.00 0.00 179.45 179.72 3fwm h GLN 464 N 0.46 0.00 0.00 3.15 4.15 -1.18 -3.24 115.11 118.45 3fwm h GLN 464 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3fwm h GLN 464 Cb 0.59 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3fwm h GLN 464 CO 0.03 0.00 -0.25 2.89 -1.93 0.00 0.00 178.83 179.58 3fwm n ARG 465 N -2.44 0.14 -1.47 1.69 1.85 -0.94 -5.05 116.66 110.44 3fwm n ARG 465 Ca 0.03 -0.86 -0.07 0.00 -1.00 0.00 0.00 57.85 55.95 3fwm n ARG 465 Cb 0.31 -0.55 -0.02 0.00 -1.05 0.00 0.00 32.46 31.14 3fwm n ARG 465 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3fwm n LYS 466 N -0.07 -0.54 -2.48 2.89 4.76 0.37 -4.99 118.16 118.09 3fwm n LYS 466 Ca 0.01 0.66 -0.35 0.00 -2.87 0.00 0.00 58.31 55.75 3fwm n LYS 466 Cb 0.60 -4.50 -0.03 0.00 -1.84 0.00 0.00 35.03 29.26 3fwm n LYS 466 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fwm s LEU 467 N -1.83 3.93 -0.02 -0.35 1.43 -0.70 -4.97 118.68 116.17 3fwm s LEU 467 Ca 0.00 2.02 0.09 0.00 -1.03 0.00 0.00 54.13 55.21 3fwm s LEU 467 Cb 0.00 -4.44 -0.23 0.00 0.03 0.00 0.00 46.19 41.55 3fwm s LEU 467 CO 0.00 -0.77 0.75 0.77 0.23 0.00 0.00 176.35 177.33 3fwm h SER 468 N 1.81 0.07 -5.12 2.29 4.64 -1.94 -3.46 113.55 111.84 3fwm h SER 468 Ca -0.49 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 60.61 3fwm h SER 468 Cb 1.23 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 3fwm h SER 468 CO 0.60 1.11 -0.31 1.51 -0.87 0.00 0.00 176.83 178.87 3fwm s ASP 469 N -6.34 0.03 -0.30 4.97 -4.77 -1.26 -5.16 116.67 103.84 3fwm s ASP 469 Ca -0.06 -0.51 -0.23 0.00 -3.30 0.00 0.00 52.55 48.46 3fwm s ASP 469 Cb 0.08 0.35 0.19 0.00 -1.09 0.00 0.00 42.92 42.45 3fwm s ASP 469 CO 0.82 -0.71 1.35 -0.22 0.70 0.00 0.00 175.17 177.11 3fwm s LEU 470 N -2.65 -0.11 0.35 2.11 2.96 -1.26 -4.92 118.68 115.15 3fwm s LEU 470 Ca 0.02 0.21 0.03 0.00 -0.22 0.00 0.00 54.13 54.17 3fwm s LEU 470 Cb 0.03 1.21 -0.04 0.00 0.50 0.00 0.00 46.19 47.89 3fwm s LEU 470 CO -0.09 -0.04 0.13 -1.61 -1.32 0.00 0.00 176.35 173.42 3fwm s GLU 471 N 0.28 1.74 0.09 1.98 0.41 0.49 -4.86 118.70 118.84 3fwm s GLU 471 Ca 0.04 -2.02 -0.25 0.00 -0.41 0.00 0.00 54.97 52.33 3fwm s GLU 471 Cb -0.04 -0.44 0.08 0.00 -1.78 0.00 0.00 34.13 31.94 3fwm s GLU 471 CO -0.14 -0.41 0.66 -0.08 -0.49 0.00 0.00 175.26 174.80 3fwm s THR 472 N -3.39 0.00 -0.04 3.63 -1.32 -1.26 -1.99 115.64 111.27 3fwm s THR 472 Ca 0.31 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.69 3fwm s THR 472 Cb 0.05 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3fwm s THR 472 CO 0.16 0.00 0.24 0.00 -2.21 0.00 0.00 174.62 172.81 3fwm s ALA 473 N -3.14 -0.59 -0.04 11.08 0.00 -0.56 -2.49 121.76 126.04 3fwm s ALA 473 Ca -0.01 0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.27 3fwm s ALA 473 Cb -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3fwm s ALA 473 CO -0.08 -0.19 0.08 0.42 0.00 0.00 0.00 175.76 175.99 3fwm s ILE 474 N -0.79 -0.03 -0.05 0.00 1.01 0.26 -1.23 121.20 120.36 3fwm s ILE 474 Ca -0.09 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3fwm s ILE 474 Cb -0.05 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.30 3fwm s ILE 474 CO 0.02 0.05 -0.09 -0.69 0.00 0.00 0.00 174.94 174.23 3fwm s VAL 475 N 0.72 0.86 -0.12 2.92 1.01 0.25 -0.02 120.40 126.02 3fwm s VAL 475 Ca -0.06 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3fwm s VAL 475 Cb -0.08 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.49 3fwm s VAL 475 CO -0.03 0.29 -0.22 -0.69 0.00 0.00 0.00 175.10 174.45 3fwm s VAL 476 N 0.67 2.15 0.05 2.92 1.01 -0.60 0.46 120.40 127.07 3fwm s VAL 476 Ca -0.12 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3fwm s VAL 476 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 3fwm s VAL 476 CO 0.02 0.55 -0.09 0.68 0.00 0.00 0.00 175.10 176.26 3fwm s VAL 477 N 0.49 0.71 0.21 2.92 -7.23 0.09 -0.64 120.40 116.96 3fwm s VAL 477 Ca -0.15 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.52 3fwm s VAL 477 Cb -0.17 -0.81 -0.10 0.00 0.56 0.00 0.00 36.38 35.86 3fwm s VAL 477 CO 0.05 -0.37 1.54 -0.62 -0.31 0.00 0.00 175.10 175.39 3fwm s ASP 478 N -1.72 6.57 0.25 4.85 2.15 0.12 -0.38 116.67 128.49 3fwm s ASP 478 Ca -0.06 2.69 -0.05 0.00 0.43 0.00 0.00 52.55 55.56 3fwm s ASP 478 Cb -0.09 -2.61 0.35 0.00 -0.30 0.00 0.00 42.92 40.27 3fwm s ASP 478 CO 0.01 -0.80 1.86 -0.09 -0.17 0.00 0.00 175.17 175.97 3fwm h ARG 479 N 5.95 1.00 0.00 4.34 2.43 -1.30 -2.47 114.38 124.33 3fwm h ARG 479 Ca -0.44 -0.06 -0.33 0.00 -0.81 0.00 0.00 59.98 58.34 3fwm h ARG 479 Cb 1.21 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.48 3fwm h ARG 479 CO 0.86 0.66 -2.24 1.19 -1.51 0.00 0.00 179.97 178.93 3fwm n PHE 480 N -4.59 0.00 0.62 2.20 3.01 -1.26 -3.62 117.46 113.82 3fwm n PHE 480 Ca 0.13 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.70 3fwm n PHE 480 Cb 0.18 -0.85 -0.11 0.00 -0.01 0.00 0.00 39.48 38.68 3fwm n PHE 480 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fwm n SER 481 N -2.98 0.62 0.00 4.37 3.41 -1.24 -4.71 113.62 113.09 3fwm n SER 481 Ca -0.36 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 3fwm n SER 481 Cb 0.97 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 66.20 3fwm n SER 481 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fwm n GLY 482 N 1.41 0.40 3.72 5.00 0.00 -0.93 -4.76 105.19 110.02 3fwm n GLY 482 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3fwm n GLY 482 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwm s GLU 483 N -0.46 4.44 -0.30 1.61 2.02 -1.26 -2.42 118.70 122.32 3fwm s GLU 483 Ca 0.00 1.79 -0.27 0.00 0.02 0.00 0.00 54.97 56.51 3fwm s GLU 483 Cb 0.00 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.91 3fwm s GLU 483 CO 0.00 -0.23 0.96 0.08 0.02 0.00 0.00 175.26 176.09 3fwm s VAL 484 N 0.90 4.64 -0.10 2.63 1.01 -0.47 0.11 120.40 129.11 3fwm s VAL 484 Ca 0.58 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.21 3fwm s VAL 484 Cb -0.30 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.54 3fwm s VAL 484 CO 0.30 -0.35 0.43 0.54 0.00 0.00 0.00 175.10 176.02 3fwm n ARG 485 N 6.55 0.67 -3.60 2.72 5.12 0.19 -3.90 116.66 124.41 3fwm n ARG 485 Ca 0.09 0.23 -0.16 0.00 -1.93 0.00 0.00 57.85 56.07 3fwm n ARG 485 Cb 0.47 -1.71 -0.07 0.00 -1.16 0.00 0.00 32.46 30.00 3fwm n ARG 485 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fwm s ALA 486 N -2.56 -1.44 -0.17 7.54 0.00 -0.97 -0.09 121.76 124.07 3fwm s ALA 486 Ca -0.12 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 3fwm s ALA 486 Cb 0.07 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.33 3fwm s ALA 486 CO 0.80 -0.35 0.37 1.41 0.00 0.00 0.00 175.76 177.99 3fwm s MET 487 N -1.34 0.28 -0.17 0.00 1.75 -1.26 -1.55 119.30 117.02 3fwm s MET 487 Ca -0.11 0.90 0.01 0.00 -1.25 0.00 0.00 55.69 55.23 3fwm s MET 487 Cb -0.02 0.16 0.02 0.00 2.84 0.00 0.00 34.83 37.84 3fwm s MET 487 CO 0.07 -0.24 -0.17 0.08 -0.65 0.00 0.00 175.02 174.11 3fwm s VAL 488 N 2.30 1.85 -1.25 10.11 1.01 0.97 -4.38 120.40 131.00 3fwm s VAL 488 Ca -0.03 -0.81 0.16 0.00 0.00 0.00 0.00 61.98 61.31 3fwm s VAL 488 Cb -0.11 -1.69 0.49 0.00 0.00 0.00 0.00 36.38 35.07 3fwm s VAL 488 CO -0.11 0.50 1.41 0.61 0.00 0.00 0.00 175.10 177.51 3fwm n GLY 489 N 4.67 2.76 0.00 4.51 0.00 -1.26 -0.58 105.19 115.30 3fwm n GLY 489 Ca -0.19 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3fwm n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwm n GLY 490 N 0.91 1.27 0.22 -0.02 0.00 -1.04 -1.04 105.19 105.49 3fwm n GLY 490 Ca 0.18 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.63 3fwm n GLY 490 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fwm h SER 491 N 0.00 0.00 -2.70 1.61 4.64 -1.89 -3.11 113.55 112.11 3fwm h SER 491 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3fwm h SER 491 Cb 0.00 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 61.67 3fwm h SER 491 CO 0.00 0.00 -0.58 -0.62 -0.87 0.00 0.00 176.83 174.76 3fwm n GLU 492 N -2.59 2.14 0.25 4.77 1.02 -1.26 -4.04 120.64 120.93 3fwm n GLU 492 Ca -0.01 -4.58 0.15 0.00 -0.02 0.00 0.00 57.16 52.71 3fwm n GLU 492 Cb 0.14 -2.28 0.51 0.00 -0.02 0.00 0.00 31.44 29.80 3fwm n GLU 492 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3fwm h PRO 493 N 4.86 0.00 0.45 3.49 0.11 -1.89 -2.76 132.00 136.25 3fwm h PRO 493 Ca 0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3fwm h PRO 493 Cb 0.71 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.82 3fwm h PRO 493 CO 0.77 0.00 -0.26 1.96 -0.21 0.00 0.00 178.00 180.26 3fwm h GLN 494 N 0.00 -0.65 -4.13 1.05 1.08 -1.92 -3.38 115.11 107.15 3fwm h GLN 494 Ca 0.00 0.04 -0.71 0.00 -1.45 0.00 0.00 58.65 56.53 3fwm h GLN 494 Cb 0.67 0.15 -0.32 0.00 -0.05 0.00 0.00 27.48 27.92 3fwm h GLN 494 CO 0.00 -0.43 -0.40 -0.06 -0.95 0.00 0.00 178.83 176.99 3fwm s PHE 495 N -6.08 3.50 -0.04 2.96 0.08 -1.04 -4.83 117.98 112.53 3fwm s PHE 495 Ca -0.16 -2.28 0.06 0.00 0.12 0.00 0.00 56.93 54.67 3fwm s PHE 495 Cb 0.05 -3.36 -0.02 0.00 -0.57 0.00 0.00 43.02 39.12 3fwm s PHE 495 CO 0.63 -0.95 -0.22 0.00 -0.10 0.00 0.00 175.22 174.58 3fwm s ALA 496 N 0.83 2.31 0.10 5.36 0.00 -1.26 -4.85 121.76 124.25 3fwm s ALA 496 Ca 0.10 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3fwm s ALA 496 Cb -0.22 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.19 3fwm s ALA 496 CO -0.03 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.65 3fwm n GLY 497 N 2.53 -0.04 3.64 0.00 0.00 -1.26 -4.92 105.19 105.14 3fwm n GLY 497 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3fwm n GLY 497 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fwm s TYR 498 N -1.97 3.20 -0.56 1.61 5.04 -1.26 -5.01 117.35 118.40 3fwm s TYR 498 Ca 0.00 1.25 -0.18 0.00 -2.44 0.00 0.00 57.07 55.70 3fwm s TYR 498 Cb 0.00 -3.57 0.11 0.00 0.35 0.00 0.00 41.96 38.85 3fwm s TYR 498 CO 0.00 -0.69 0.62 1.21 -1.34 0.00 0.00 175.55 175.35 3fwm s ASN 499 N 1.54 6.19 0.44 4.32 3.04 -1.26 -4.70 114.94 124.51 3fwm s ASN 499 Ca 0.45 -1.49 0.24 0.00 0.04 0.00 0.00 52.86 52.10 3fwm s ASN 499 Cb -0.13 -2.27 0.74 0.00 -1.54 0.00 0.00 41.25 38.06 3fwm s ASN 499 CO 0.13 -0.99 1.75 0.03 -3.04 0.00 0.00 177.10 174.97 3fwm h ARG 500 N 9.06 0.00 0.00 0.43 3.08 -1.40 -0.36 114.38 125.19 3fwm h ARG 500 Ca -0.29 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 3fwm h ARG 500 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3fwm h ARG 500 CO 1.06 0.17 -0.11 0.00 -1.07 0.00 0.00 179.97 180.02 3fwm h ALA 501 N 1.83 1.49 0.00 0.04 0.00 -1.76 -2.92 119.26 117.93 3fwm h ALA 501 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fwm h ALA 501 Cb 0.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3fwm h ALA 501 CO 0.02 0.14 -1.12 -1.33 0.00 0.00 0.00 179.25 176.96 3fwm n MET 502 N -3.92 1.05 -0.01 0.00 2.81 -1.03 -1.59 117.12 114.43 3fwm n MET 502 Ca -0.02 -0.02 0.02 0.00 -1.81 0.00 0.00 57.70 55.87 3fwm n MET 502 Cb 0.20 -1.06 -0.06 0.00 -0.71 0.00 0.00 33.22 31.60 3fwm n MET 502 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3fwm n GLN 503 N -1.72 0.98 -2.70 0.03 6.02 -0.17 -4.91 117.38 114.91 3fwm n GLN 503 Ca -0.01 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 3fwm n GLN 503 Cb 0.20 -1.17 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 3fwm n GLN 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fwm s ALA 504 N -2.41 2.93 -0.14 -1.58 0.00 -1.10 -4.99 121.76 114.48 3fwm s ALA 504 Ca -0.03 -1.57 -0.24 0.00 0.00 0.00 0.00 51.96 50.12 3fwm s ALA 504 Cb 0.04 -4.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 3fwm s ALA 504 CO 0.29 -3.02 0.78 0.50 0.00 0.00 0.00 175.76 174.31 3fwm s ARG 505 N 4.91 4.34 -0.09 0.00 3.52 -1.26 -4.21 118.95 126.16 3fwm s ARG 505 Ca 0.29 0.95 -0.07 0.00 -0.13 0.00 0.00 55.73 56.77 3fwm s ARG 505 Cb -0.12 -3.53 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 3fwm s ARG 505 CO 0.13 -0.20 0.24 1.03 -0.81 0.00 0.00 175.30 175.69 3fwm s ARG 506 N 1.70 0.25 -0.08 5.12 1.81 0.64 -4.78 118.95 123.61 3fwm s ARG 506 Ca 0.37 0.38 -0.39 0.00 -1.72 0.00 0.00 55.73 54.37 3fwm s ARG 506 Cb -0.17 0.07 -0.17 0.00 -0.45 0.00 0.00 34.95 34.23 3fwm s ARG 506 CO 0.14 -0.07 1.46 0.45 -0.68 0.00 0.00 175.30 176.60 3fwm n SER 507 N 3.29 1.66 0.03 0.23 2.88 -1.26 -1.94 113.62 118.51 3fwm n SER 507 Ca -0.16 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.62 3fwm n SER 507 Cb 0.57 -1.12 0.31 0.00 -0.75 0.00 0.00 64.21 63.22 3fwm n SER 507 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3fwm n ILE 508 N 3.17 0.19 -4.55 2.46 -5.35 -0.62 -4.84 119.36 109.82 3fwm n ILE 508 Ca 0.22 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 3fwm n ILE 508 Cb 0.14 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 3fwm n ILE 508 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fwm n GLY 509 N 1.42 3.00 0.00 3.28 0.00 -1.02 -2.39 105.19 109.49 3fwm n GLY 509 Ca 0.05 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.82 3fwm n GLY 509 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fwm n SER 510 N 1.13 0.00 0.28 1.61 3.41 -0.64 -1.58 113.62 117.83 3fwm n SER 510 Ca 0.00 -0.36 0.19 0.00 -0.26 0.00 0.00 58.87 58.43 3fwm n SER 510 Cb 0.00 -0.10 0.87 0.00 -0.26 0.00 0.00 64.21 64.71 3fwm n SER 510 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fwm h LEU 511 N 0.00 0.00 -0.90 1.04 5.85 -1.51 -2.61 115.31 117.18 3fwm h LEU 511 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fwm h LEU 511 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3fwm h LEU 511 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 3fwm h ALA 512 N 2.02 1.00 -0.56 1.25 0.00 -1.48 -3.38 119.26 118.11 3fwm h ALA 512 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fwm h ALA 512 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fwm h ALA 512 CO 0.00 0.00 0.19 0.87 0.00 0.00 0.00 179.25 180.31 3fwm h LYS 513 N 0.00 0.87 -0.38 0.00 1.57 -1.68 -2.53 116.57 114.41 3fwm h LYS 513 Ca 0.00 -0.18 0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3fwm h LYS 513 Cb 0.35 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3fwm h LYS 513 CO 0.00 0.78 0.28 -1.35 -0.57 0.00 0.00 179.45 178.59 3fwm h PRO 514 N 0.78 0.00 -0.99 3.15 0.11 -1.83 0.65 132.00 133.88 3fwm h PRO 514 Ca 0.18 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.44 3fwm h PRO 514 Cb 0.26 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.28 3fwm h PRO 514 CO -0.01 0.00 0.62 0.00 -0.21 0.00 0.00 178.00 178.40 3fwm h ALA 515 N 1.79 1.60 -0.21 -0.75 0.00 -1.74 0.47 119.26 120.43 3fwm h ALA 515 Ca 0.18 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3fwm h ALA 515 Cb 0.74 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3fwm h ALA 515 CO -0.00 0.11 -0.64 1.15 0.00 0.00 0.00 179.25 179.87 3fwm h THR 516 N 0.89 1.29 -0.02 0.00 2.02 -1.00 -1.54 112.91 114.55 3fwm h THR 516 Ca 0.52 -1.85 -0.18 0.00 0.77 0.00 0.00 66.41 65.66 3fwm h THR 516 Cb 0.64 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 3fwm h THR 516 CO -0.29 0.59 -0.78 1.88 0.37 0.00 0.00 175.52 177.29 3fwm h TYR 517 N 0.57 0.31 -0.28 3.16 0.05 -1.06 -1.84 116.97 117.87 3fwm h TYR 517 Ca -0.01 -0.15 -0.12 0.00 0.05 0.00 0.00 58.73 58.49 3fwm h TYR 517 Cb 1.25 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.93 3fwm h TYR 517 CO 0.07 0.91 -0.34 1.25 -1.05 0.00 0.00 178.16 179.00 3fwm h LEU 518 N 0.14 0.64 -0.19 3.88 5.85 -0.05 -0.23 115.31 125.35 3fwm h LEU 518 Ca -0.03 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3fwm h LEU 518 Cb 1.36 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3fwm h LEU 518 CO 0.12 0.93 0.11 0.74 -0.34 0.00 0.00 178.44 180.00 3fwm h THR 519 N 0.52 1.10 0.27 1.05 2.02 -1.01 -2.45 112.91 114.40 3fwm h THR 519 Ca 0.06 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3fwm h THR 519 Cb 0.83 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3fwm h THR 519 CO 0.07 0.09 -0.13 0.00 0.37 0.00 0.00 175.52 175.92 3fwm h ALA 520 N 1.00 -0.36 0.00 6.16 0.00 -1.07 -3.11 119.26 121.88 3fwm h ALA 520 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fwm h ALA 520 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fwm h ALA 520 CO -0.01 -0.66 0.00 -0.07 0.00 0.00 0.00 179.25 178.51 3fwm h LEU 521 N -0.44 0.00 0.00 0.00 3.38 -1.03 0.38 115.31 117.59 3fwm h LEU 521 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fwm h LEU 521 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3fwm h LEU 521 CO 0.06 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 3fwm n SER 522 N -2.38 0.00 -3.75 -0.43 7.64 -0.93 -4.05 113.62 109.72 3fwm n SER 522 Ca -0.00 -0.73 -0.28 0.00 1.01 0.00 0.00 58.87 58.87 3fwm n SER 522 Cb 0.13 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.22 3fwm n SER 522 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fwm n GLN 523 N -0.98 1.80 0.26 1.43 6.02 0.12 -4.98 117.38 121.05 3fwm n GLN 523 Ca 0.16 -4.38 0.17 0.00 -0.01 0.00 0.00 57.00 52.94 3fwm n GLN 523 Cb 0.07 -2.20 0.88 0.00 1.02 0.00 0.00 30.24 30.01 3fwm n GLN 523 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3fwm h PRO 524 N 5.14 0.00 0.00 -1.09 0.13 -1.73 0.16 132.00 134.61 3fwm h PRO 524 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3fwm h PRO 524 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3fwm h PRO 524 CO 0.70 0.00 -0.53 0.87 -0.23 0.00 0.00 178.00 178.81 3fwm h LYS 525 N 0.00 0.00 0.00 0.86 1.79 -1.94 -3.41 116.57 113.88 3fwm h LYS 525 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 3fwm h LYS 525 Cb 0.12 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3fwm h LYS 525 CO 0.00 0.00 -1.41 0.44 -1.08 0.00 0.00 179.45 177.40 3fwm n ILE 526 N -2.83 0.40 -4.75 1.86 -5.35 0.18 -5.02 119.36 103.86 3fwm n ILE 526 Ca 0.02 -0.12 -0.33 0.00 -0.27 0.00 0.00 62.75 62.05 3fwm n ILE 526 Cb 0.53 -1.33 -0.14 0.00 -1.74 0.00 0.00 39.64 36.96 3fwm n ILE 526 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3fwm s TYR 527 N -2.14 2.82 0.32 4.28 2.02 0.32 -4.99 117.35 119.99 3fwm s TYR 527 Ca -0.10 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 3fwm s TYR 527 Cb 0.03 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3fwm s TYR 527 CO 0.14 -0.12 0.13 1.03 -1.57 0.00 0.00 175.55 175.15 3fwm s ARG 528 N 0.17 1.64 0.38 -0.62 0.52 -1.26 -4.22 118.95 115.56 3fwm s ARG 528 Ca -0.07 -1.94 0.11 0.00 -0.52 0.00 0.00 55.73 53.31 3fwm s ARG 528 Cb -0.15 -0.36 0.88 0.00 0.52 0.00 0.00 34.95 35.84 3fwm s ARG 528 CO 0.05 -0.39 1.89 -0.07 0.02 0.00 0.00 175.30 176.80 3fwm h LEU 529 N 2.14 0.58 -0.92 2.53 3.38 -1.97 -0.80 115.31 120.24 3fwm h LEU 529 Ca -0.36 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3fwm h LEU 529 Cb 1.25 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3fwm h LEU 529 CO 0.57 0.30 0.00 -0.46 0.09 0.00 0.00 178.44 178.95 3fwm n ASN 530 N -4.53 1.36 -4.73 -0.43 2.04 -1.26 -1.06 115.26 106.65 3fwm n ASN 530 Ca 0.16 -1.87 -0.42 0.00 -0.44 0.00 0.00 54.58 52.02 3fwm n ASN 530 Cb 0.46 -0.14 -0.03 0.00 -2.53 0.00 0.00 39.78 37.54 3fwm n ASN 530 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3fwm s THR 531 N -1.72 3.28 0.03 5.53 2.01 -0.31 -4.73 115.64 119.74 3fwm s THR 531 Ca 0.23 1.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.95 3fwm s THR 531 Cb 0.12 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3fwm s THR 531 CO 0.17 0.13 0.90 0.26 -0.69 0.00 0.00 174.62 175.39 3fwm s TRP 532 N 0.40 3.71 -0.13 4.92 0.52 -1.26 -0.19 118.94 126.90 3fwm s TRP 532 Ca 0.59 1.63 0.00 0.00 0.02 0.00 0.00 56.10 58.34 3fwm s TRP 532 Cb -0.36 -3.01 -0.01 0.00 -1.15 0.00 0.00 33.47 28.94 3fwm s TRP 532 CO 0.36 0.12 -0.14 0.42 0.02 0.00 0.00 176.95 177.72 3fwm s ILE 533 N 0.50 2.92 0.28 2.03 -1.09 0.89 -4.92 121.20 121.82 3fwm s ILE 533 Ca 0.46 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 57.88 3fwm s ILE 533 Cb -0.21 -2.22 -0.13 0.00 -1.58 0.00 0.00 42.46 38.32 3fwm s ILE 533 CO 0.26 0.52 1.36 0.00 -1.23 0.00 0.00 174.94 175.86 3fwm n ALA 534 N 3.64 1.23 -3.73 9.38 0.00 -1.26 -1.80 120.51 127.97 3fwm n ALA 534 Ca -0.18 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 3fwm n ALA 534 Cb 0.53 -2.27 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 3fwm n ALA 534 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fwm s ASP 535 N 0.06 3.64 0.19 0.00 2.15 0.32 -4.19 116.67 118.85 3fwm s ASP 535 Ca 0.63 -2.87 -0.13 0.00 0.43 0.00 0.00 52.55 50.61 3fwm s ASP 535 Cb -0.61 -1.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.90 3fwm s ASP 535 CO 0.54 -0.23 0.40 0.00 -0.17 0.00 0.00 175.17 175.72 3fwm s ALA 536 N 0.02 -0.37 0.32 3.66 0.00 -1.26 -4.08 121.76 120.05 3fwm s ALA 536 Ca 0.20 -0.65 -0.25 0.00 0.00 0.00 0.00 51.96 51.26 3fwm s ALA 536 Cb -0.19 0.89 -0.15 0.00 0.00 0.00 0.00 23.12 23.68 3fwm s ALA 536 CO -0.04 -0.74 0.54 -2.30 0.00 0.00 0.00 175.76 173.22 3fwm n PRO 537 N -0.29 0.42 -4.72 0.00 -0.02 -1.26 -4.97 135.00 124.15 3fwm n PRO 537 Ca -0.07 0.15 -0.30 0.00 -2.02 0.00 0.00 63.50 61.26 3fwm n PRO 537 Cb 0.63 -1.30 -0.14 0.00 -0.02 0.00 0.00 33.50 32.66 3fwm n PRO 537 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3fwm s ILE 538 N -1.27 2.20 -0.28 4.25 1.01 -1.26 -5.12 121.20 120.73 3fwm s ILE 538 Ca 0.62 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3fwm s ILE 538 Cb -0.74 -1.90 0.16 0.00 0.01 0.00 0.00 42.46 39.99 3fwm s ILE 538 CO 0.59 0.27 0.40 0.00 0.00 0.00 0.00 174.94 176.19 3fwm s ALA 539 N -0.90 -1.14 -0.37 9.38 0.00 -1.25 -4.41 121.76 123.06 3fwm s ALA 539 Ca 0.13 0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 3fwm s ALA 539 Cb -0.10 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.04 3fwm s ALA 539 CO 0.04 -1.70 0.19 -0.51 0.00 0.00 0.00 175.76 173.78 3fwm s LEU 540 N 2.53 4.68 0.12 0.00 1.43 0.96 -4.86 118.68 123.53 3fwm s LEU 540 Ca 0.10 -1.10 -0.31 0.00 -1.03 0.00 0.00 54.13 51.78 3fwm s LEU 540 Cb -0.13 -1.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.03 3fwm s LEU 540 CO -0.29 -0.39 1.46 -0.13 0.23 0.00 0.00 176.35 177.23 3fwm s ARG 541 N 1.50 4.28 0.41 1.70 1.81 -1.26 -0.30 118.95 127.09 3fwm s ARG 541 Ca 0.01 2.17 0.05 0.00 -1.72 0.00 0.00 55.73 56.24 3fwm s ARG 541 Cb -0.20 -3.27 -0.06 0.00 -0.45 0.00 0.00 34.95 30.97 3fwm s ARG 541 CO 0.05 -0.52 0.02 1.14 -0.68 0.00 0.00 175.30 175.32 3fwm s GLN 542 N 1.31 1.95 0.09 3.54 -2.07 -1.13 -4.94 119.66 118.41 3fwm s GLN 542 Ca 0.67 -2.13 -0.22 0.00 -1.82 0.00 0.00 55.36 51.86 3fwm s GLN 542 Cb -0.39 -1.46 -0.12 0.00 -1.09 0.00 0.00 33.01 29.95 3fwm s GLN 542 CO 0.30 -0.14 0.48 -2.30 -1.32 0.00 0.00 175.29 172.32 3fwm n PRO 543 N -0.97 0.00 -0.04 9.60 -0.02 -1.26 -4.18 135.00 138.13 3fwm n PRO 543 Ca -0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.39 3fwm n PRO 543 Cb 0.67 -0.80 -0.00 0.00 -0.02 0.00 0.00 33.50 33.35 3fwm n PRO 543 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fwm n ASN 544 N 1.25 0.03 0.00 2.55 2.04 -1.26 -4.30 115.26 115.57 3fwm n ASN 544 Ca 0.13 0.03 0.00 0.00 -0.44 0.00 0.00 54.58 54.29 3fwm n ASN 544 Cb 0.13 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.36 3fwm n ASN 544 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3fwm n GLY 545 N 0.14 0.52 3.94 4.83 0.00 -1.26 -5.13 105.19 108.23 3fwm n GLY 545 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3fwm n GLY 545 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fwm s GLN 546 N 0.00 3.25 -0.20 1.61 -0.21 -1.26 -4.69 119.66 118.17 3fwm s GLN 546 Ca 0.00 -0.34 -0.17 0.00 0.02 0.00 0.00 55.36 54.87 3fwm s GLN 546 Cb 0.00 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.41 3fwm s GLN 546 CO 0.00 -0.15 0.43 0.08 -2.12 0.00 0.00 175.29 173.54 3fwm s VAL 547 N -2.52 5.17 -0.35 1.09 1.01 -1.26 -2.83 120.40 120.71 3fwm s VAL 547 Ca 0.46 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 62.97 3fwm s VAL 547 Cb -0.10 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3fwm s VAL 547 CO 0.38 0.24 0.89 0.86 0.00 0.00 0.00 175.10 177.47 3fwm s TRP 548 N 1.35 3.12 -0.65 5.22 -0.00 0.59 -4.81 118.94 123.76 3fwm s TRP 548 Ca 0.21 0.80 0.05 0.00 -0.00 0.00 0.00 56.10 57.15 3fwm s TRP 548 Cb -0.15 -3.53 0.18 0.00 -0.00 0.00 0.00 33.47 29.97 3fwm s TRP 548 CO 0.09 -0.75 0.51 0.45 -0.00 0.00 0.00 176.95 177.24 3fwm n SER 549 N 6.62 2.56 -4.77 5.86 2.88 -1.26 -0.03 113.62 125.48 3fwm n SER 549 Ca 0.06 -3.11 -0.41 0.00 -1.33 0.00 0.00 58.87 54.08 3fwm n SER 549 Cb 0.48 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 3fwm n SER 549 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3fwm s PRO 550 N -1.39 4.29 0.15 -1.46 0.02 -1.26 -4.97 135.00 130.36 3fwm s PRO 550 Ca 0.28 2.23 0.10 0.00 0.02 0.00 0.00 61.00 63.64 3fwm s PRO 550 Cb 0.00 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 3fwm s PRO 550 CO -0.15 -0.25 -0.21 -0.65 -0.33 0.00 0.00 177.00 175.41 3fwm s GLN 551 N -1.88 1.66 0.87 5.54 -1.52 -1.26 -4.54 119.66 118.53 3fwm s GLN 551 Ca 0.50 -1.32 -0.13 0.00 -1.95 0.00 0.00 55.36 52.47 3fwm s GLN 551 Cb -0.40 -2.00 0.06 0.00 -0.22 0.00 0.00 33.01 30.45 3fwm s GLN 551 CO 0.53 0.45 0.81 0.09 -0.25 0.00 0.00 175.29 176.92 3fwm n ASN 552 N 0.60 -0.54 -0.27 5.90 5.03 -1.26 -4.68 115.26 120.03 3fwm n ASN 552 Ca -0.15 0.46 0.07 0.00 0.87 0.00 0.00 54.58 55.83 3fwm n ASN 552 Cb 0.54 -1.35 0.18 0.00 -1.02 0.00 0.00 39.78 38.13 3fwm n ASN 552 CO 0.00 0.00 0.00 -0.78 -1.83 0.00 0.00 177.26 174.65 3fwm h ASP 553 N -1.28 -0.32 -0.58 6.41 1.82 -1.90 -0.63 116.42 119.94 3fwm h ASP 553 Ca -0.44 0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.40 3fwm h ASP 553 Cb 1.29 0.35 0.00 0.00 0.68 0.00 0.00 39.33 41.65 3fwm h ASP 553 CO 0.40 -0.19 0.00 -0.90 -1.61 0.00 0.00 179.24 176.95 3fwm n ASP 554 N -5.34 4.07 -2.23 2.28 3.85 -1.26 -4.95 116.55 112.97 3fwm n ASP 554 Ca 0.15 -2.27 -0.19 0.00 -0.71 0.00 0.00 54.79 51.77 3fwm n ASP 554 Cb 0.52 -0.48 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 3fwm n ASP 554 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3fwm n ARG 555 N 1.01 -1.72 -4.36 0.11 1.74 -0.24 -4.97 116.66 108.23 3fwm n ARG 555 Ca 0.22 0.97 -0.26 0.00 -0.77 0.00 0.00 57.85 58.01 3fwm n ARG 555 Cb 0.71 -5.56 -0.10 0.00 -1.02 0.00 0.00 32.46 26.50 3fwm n ARG 555 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fwm s ARG 556 N -4.74 1.89 0.07 5.56 0.52 -1.26 -4.95 118.95 116.04 3fwm s ARG 556 Ca 0.00 -1.46 0.08 0.00 -0.52 0.00 0.00 55.73 53.83 3fwm s ARG 556 Cb 0.00 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 3fwm s ARG 556 CO 0.00 0.39 -0.19 0.71 0.02 0.00 0.00 175.30 176.23 3fwm s TYR 557 N -1.96 2.52 0.26 -0.53 1.51 -1.26 -4.61 117.35 113.28 3fwm s TYR 557 Ca 0.26 -0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.74 3fwm s TYR 557 Cb -0.07 -1.41 -0.11 0.00 -0.11 0.00 0.00 41.96 40.25 3fwm s TYR 557 CO 0.15 0.29 1.62 -1.12 -1.11 0.00 0.00 175.55 175.38 3fwm s SER 558 N -1.69 6.40 0.28 2.29 0.01 -1.26 -4.86 113.70 114.87 3fwm s SER 558 Ca 0.15 2.90 -0.02 0.00 1.31 0.00 0.00 55.95 60.29 3fwm s SER 558 Cb -0.10 -2.62 0.41 0.00 0.21 0.00 0.00 66.02 63.91 3fwm s SER 558 CO 0.07 -0.92 1.93 1.05 0.41 0.00 0.00 173.24 175.78 3fwm h GLU 559 N 5.51 1.14 0.00 12.44 -0.00 -1.92 0.70 114.58 132.45 3fwm h GLU 559 Ca -0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 58.84 3fwm h GLU 559 Cb 1.21 -0.26 0.00 0.00 -0.00 0.00 0.00 28.75 29.71 3fwm h GLU 559 CO 0.85 0.75 0.00 -1.13 -0.00 0.00 0.00 179.01 179.48 3fwm n SER 560 N -4.43 0.00 0.00 3.06 3.41 -1.26 -4.86 113.62 109.54 3fwm n SER 560 Ca 0.12 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3fwm n SER 560 Cb 0.09 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 3fwm n SER 560 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fwm n GLY 561 N -0.08 0.75 3.27 5.00 0.00 0.24 -5.00 105.19 109.38 3fwm n GLY 561 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3fwm n GLY 561 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fwm s ARG 562 N -0.20 0.98 -0.06 1.61 1.70 -1.26 -0.52 118.95 121.20 3fwm s ARG 562 Ca 0.00 -0.85 -0.15 0.00 -0.47 0.00 0.00 55.73 54.27 3fwm s ARG 562 Cb 0.00 0.41 0.03 0.00 -0.57 0.00 0.00 34.95 34.82 3fwm s ARG 562 CO 0.00 -0.35 0.35 0.14 -1.08 0.00 0.00 175.30 174.35 3fwm s VAL 563 N -3.84 0.04 0.44 4.99 -7.23 -0.74 -4.85 120.40 109.21 3fwm s VAL 563 Ca 0.05 -0.30 -0.22 0.00 -1.81 0.00 0.00 61.98 59.70 3fwm s VAL 563 Cb 0.03 -0.60 -0.09 0.00 0.56 0.00 0.00 36.38 36.28 3fwm s VAL 563 CO -0.11 -0.16 1.02 -0.04 -0.31 0.00 0.00 175.10 175.50 3fwm s MET 564 N -0.82 4.03 0.27 4.82 -1.94 -1.26 -0.07 119.30 124.32 3fwm s MET 564 Ca -0.09 1.36 0.01 0.00 -1.71 0.00 0.00 55.69 55.26 3fwm s MET 564 Cb -0.04 -2.28 0.56 0.00 2.01 0.00 0.00 34.83 35.08 3fwm s MET 564 CO 0.03 -0.24 1.80 1.25 -0.01 0.00 0.00 175.02 177.86 3fwm h LEU 565 N 1.98 0.77 -0.54 -0.03 6.46 -0.42 0.09 115.31 123.62 3fwm h LEU 565 Ca -0.49 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.43 3fwm h LEU 565 Cb 1.21 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.99 3fwm h LEU 565 CO 0.61 0.37 0.14 1.62 -0.62 0.00 0.00 178.44 180.56 3fwm h VAL 566 N 0.83 0.73 0.00 1.05 3.04 -1.37 -2.47 116.25 118.07 3fwm h VAL 566 Ca 0.49 -0.10 -0.18 0.00 -1.01 0.00 0.00 66.70 65.89 3fwm h VAL 566 Cb 0.58 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 3fwm h VAL 566 CO -0.31 0.05 -0.87 0.44 -1.01 0.00 0.00 177.57 175.87 3fwm h ASP 567 N 0.29 0.02 -0.57 3.17 3.45 -1.30 -2.34 116.42 119.14 3fwm h ASP 567 Ca 0.27 -0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.75 3fwm h ASP 567 Cb 0.36 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 3fwm h ASP 567 CO -0.32 0.88 0.33 0.00 -1.57 0.00 0.00 179.24 178.56 3fwm h ALA 568 N 1.11 0.74 -0.13 3.45 0.00 -0.84 -1.39 119.26 122.20 3fwm h ALA 568 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3fwm h ALA 568 Cb 1.54 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3fwm h ALA 568 CO 0.12 0.04 -0.16 1.25 0.00 0.00 0.00 179.25 180.49 3fwm h LEU 569 N 0.65 0.38 -0.79 0.00 5.85 -1.42 -0.88 115.31 119.10 3fwm h LEU 569 Ca 0.24 -0.50 0.16 0.00 0.84 0.00 0.00 57.88 58.61 3fwm h LEU 569 Cb 0.06 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 40.88 3fwm h LEU 569 CO -0.12 0.81 0.31 0.74 -0.34 0.00 0.00 178.44 179.83 3fwm h THR 570 N -0.04 0.60 -0.22 1.05 2.02 -1.22 -1.70 112.91 113.40 3fwm h THR 570 Ca 0.02 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3fwm h THR 570 Cb 0.71 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3fwm h THR 570 CO 0.04 0.08 0.00 0.54 0.37 0.00 0.00 175.52 176.55 3fwm n ARG 571 N -5.03 2.29 -3.94 6.66 1.74 -0.54 -2.72 116.66 115.13 3fwm n ARG 571 Ca 0.16 -1.93 -0.26 0.00 -0.77 0.00 0.00 57.85 55.06 3fwm n ARG 571 Cb 0.47 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3fwm n ARG 571 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3fwm n SER 572 N 1.21 -0.63 -4.62 0.55 2.88 -0.55 -4.86 113.62 107.60 3fwm n SER 572 Ca 0.17 -0.98 -0.43 0.00 -1.33 0.00 0.00 58.87 56.30 3fwm n SER 572 Cb 0.55 -3.16 -0.02 0.00 -0.75 0.00 0.00 64.21 60.83 3fwm n SER 572 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3fwm s MET 573 N -6.52 3.70 0.18 -1.46 -1.94 -0.45 -4.86 119.30 107.96 3fwm s MET 573 Ca 0.05 1.38 -0.13 0.00 -1.71 0.00 0.00 55.69 55.29 3fwm s MET 573 Cb -0.03 -4.02 0.14 0.00 2.01 0.00 0.00 34.83 32.93 3fwm s MET 573 CO 0.88 -1.40 1.80 -0.91 -0.01 0.00 0.00 175.02 175.38 3fwm h ASN 574 N 10.75 0.45 -0.06 3.03 2.35 -1.89 -3.04 115.58 127.16 3fwm h ASN 574 Ca -0.31 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.37 3fwm h ASN 574 Cb 1.13 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.44 3fwm h ASN 574 CO 1.03 0.31 -0.30 0.58 -1.65 0.00 0.00 177.43 177.39 3fwm h VAL 575 N 0.57 1.43 0.00 2.81 2.07 -1.89 -2.59 116.25 118.66 3fwm h VAL 575 Ca 0.23 -1.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 3fwm h VAL 575 Cb 0.10 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3fwm h VAL 575 CO -0.14 0.49 -0.11 -0.65 0.02 0.00 0.00 177.57 177.18 3fwm h PRO 576 N -0.19 0.00 -0.59 1.57 0.11 -1.73 -2.38 132.00 128.80 3fwm h PRO 576 Ca -0.02 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3fwm h PRO 576 Cb 0.96 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3fwm h PRO 576 CO 0.06 0.11 0.11 1.15 -0.21 0.00 0.00 178.00 179.23 3fwm h THR 577 N 0.00 1.25 -0.31 -1.15 2.02 -1.37 0.20 112.91 113.55 3fwm h THR 577 Ca -0.00 -0.95 -0.17 0.00 0.77 0.00 0.00 66.41 66.05 3fwm h THR 577 Cb 0.21 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3fwm h THR 577 CO 0.01 0.35 -0.49 0.58 0.37 0.00 0.00 175.52 176.35 3fwm h VAL 578 N 0.87 1.28 -0.47 3.16 2.07 -1.30 0.20 116.25 122.06 3fwm h VAL 578 Ca 0.18 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 3fwm h VAL 578 Cb 0.39 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3fwm h VAL 578 CO 0.01 0.55 -0.07 0.78 0.02 0.00 0.00 177.57 178.86 3fwm h ASN 579 N 0.67 0.87 0.62 0.57 2.35 -1.31 0.13 115.58 119.48 3fwm h ASN 579 Ca 0.03 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 3fwm h ASN 579 Cb 1.08 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 39.22 3fwm h ASN 579 CO 0.11 1.00 -0.30 0.25 -1.65 0.00 0.00 177.43 176.84 3fwm h LEU 580 N 0.71 -0.71 -0.88 1.61 5.85 -0.46 -2.21 115.31 119.22 3fwm h LEU 580 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3fwm h LEU 580 Cb 0.60 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 3fwm h LEU 580 CO 0.04 -0.50 0.51 1.23 -0.34 0.00 0.00 178.44 179.39 3fwm h GLY 581 N -0.85 1.28 1.38 3.75 0.00 -0.56 -1.29 103.07 106.79 3fwm h GLY 581 Ca -0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 3fwm h GLY 581 CO 0.14 0.53 0.04 -0.33 0.00 0.00 0.00 176.54 176.91 3fwm h MET 582 N 1.21 0.76 -0.44 4.80 2.86 -0.78 0.86 114.93 124.20 3fwm h MET 582 Ca 0.31 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.69 3fwm h MET 582 Cb -0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 3fwm h MET 582 CO -0.06 0.75 -0.05 0.00 1.06 0.00 0.00 176.91 178.61 3fwm h ALA 583 N 1.32 0.60 0.00 6.32 0.00 -0.70 -2.93 119.26 123.87 3fwm h ALA 583 Ca 0.15 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3fwm h ALA 583 Cb 0.39 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3fwm h ALA 583 CO 0.01 0.43 -0.50 -0.07 0.00 0.00 0.00 179.25 179.12 3fwm h LEU 584 N 0.64 0.00 0.00 0.00 3.38 -1.10 -3.50 115.31 114.73 3fwm h LEU 584 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fwm h LEU 584 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fwm h LEU 584 CO 0.03 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.68 3fwm n GLY 585 N 0.00 0.33 0.23 0.83 0.00 0.28 -4.46 105.19 102.40 3fwm n GLY 585 Ca -0.01 -1.41 0.05 0.00 0.00 0.00 0.00 46.02 44.65 3fwm n GLY 585 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fwm h LEU 586 N 0.00 0.02 -0.24 0.99 3.38 -1.85 -2.46 115.31 115.15 3fwm h LEU 586 Ca 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fwm h LEU 586 Cb 0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3fwm h LEU 586 CO 0.00 0.18 0.09 -0.65 0.09 0.00 0.00 178.44 178.16 3fwm h PRO 587 N 0.02 0.37 -0.53 1.13 0.11 -1.94 0.16 132.00 131.32 3fwm h PRO 587 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3fwm h PRO 587 Cb 0.30 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3fwm h PRO 587 CO 0.02 0.42 0.33 0.00 -0.21 0.00 0.00 178.00 178.56 3fwm h ALA 588 N 0.93 0.67 -0.48 -0.75 0.00 -1.73 0.17 119.26 118.08 3fwm h ALA 588 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fwm h ALA 588 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fwm h ALA 588 CO -0.01 0.14 0.19 0.28 0.00 0.00 0.00 179.25 179.85 3fwm h VAL 589 N 0.71 1.21 -0.76 0.00 2.07 -1.34 -2.32 116.25 115.82 3fwm h VAL 589 Ca 0.19 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 67.10 3fwm h VAL 589 Cb -0.05 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3fwm h VAL 589 CO -0.04 0.24 0.50 0.74 0.02 0.00 0.00 177.57 179.03 3fwm h THR 590 N 0.63 1.08 -0.17 2.57 2.02 0.10 -1.64 112.91 117.50 3fwm h THR 590 Ca 0.16 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 3fwm h THR 590 Cb 0.20 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3fwm h THR 590 CO -0.01 0.16 -0.35 -0.08 0.37 0.00 0.00 175.52 175.61 3fwm h GLU 591 N 0.88 0.35 -0.45 6.66 4.81 -0.68 -2.47 114.58 123.67 3fwm h GLU 591 Ca 0.31 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3fwm h GLU 591 Cb 0.13 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3fwm h GLU 591 CO -0.10 0.65 0.17 1.15 -0.73 0.00 0.00 179.01 180.16 3fwm h THR 592 N 0.30 1.21 -0.91 0.32 2.02 -0.77 -1.75 112.91 113.33 3fwm h THR 592 Ca 0.04 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.65 3fwm h THR 592 Cb 0.76 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 3fwm h THR 592 CO 0.06 0.24 0.59 -0.50 0.37 0.00 0.00 175.52 176.28 3fwm h TRP 593 N 0.59 0.99 -0.10 3.16 -0.00 -0.99 -1.15 115.95 118.46 3fwm h TRP 593 Ca 0.15 0.03 -0.17 0.00 -0.00 0.00 0.00 58.89 58.89 3fwm h TRP 593 Cb 0.21 -0.32 0.01 0.00 -0.00 0.00 0.00 29.16 29.06 3fwm h TRP 593 CO 0.01 0.46 -0.61 0.82 -0.00 0.00 0.00 178.44 179.12 3fwm h ILE 594 N 0.93 1.35 -0.34 1.49 2.04 -1.02 -2.45 117.51 119.50 3fwm h ILE 594 Ca 0.42 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 3fwm h ILE 594 Cb 0.38 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3fwm h ILE 594 CO -0.18 0.58 0.16 0.11 0.00 0.00 0.00 178.15 178.82 3fwm h LYS 595 N 0.21 0.47 0.00 2.37 1.57 -1.06 -1.33 116.57 118.80 3fwm h LYS 595 Ca -0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3fwm h LYS 595 Cb 1.26 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3fwm h LYS 595 CO 0.12 0.38 0.00 -0.07 -0.57 0.00 0.00 179.45 179.31 3fwm h LEU 596 N 0.48 0.00 0.00 2.94 3.38 -1.04 -3.46 115.31 117.61 3fwm h LEU 596 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fwm h LEU 596 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3fwm h LEU 596 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 3fwm n GLY 597 N 0.71 1.38 3.85 0.83 0.00 -0.50 -3.80 105.19 107.65 3fwm n GLY 597 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3fwm n GLY 597 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fwm s VAL 598 N -2.00 4.56 0.16 1.61 -7.23 -0.96 -4.84 120.40 111.71 3fwm s VAL 598 Ca 0.00 1.14 -0.33 0.00 -1.81 0.00 0.00 61.98 60.97 3fwm s VAL 598 Cb 0.00 -3.71 -0.13 0.00 0.56 0.00 0.00 36.38 33.10 3fwm s VAL 598 CO 0.00 -0.61 1.62 -2.65 -0.31 0.00 0.00 175.10 173.14 3fwm n PRO 599 N -1.41 2.29 0.16 4.82 -0.02 -1.26 -4.73 135.00 134.85 3fwm n PRO 599 Ca 0.06 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.39 3fwm n PRO 599 Cb 0.54 -2.61 0.39 0.00 -0.02 0.00 0.00 33.50 31.80 3fwm n PRO 599 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fwm h LYS 600 N 6.23 0.11 -0.23 -0.52 1.57 -1.97 -2.73 116.57 119.04 3fwm h LYS 600 Ca -0.45 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3fwm h LYS 600 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 3fwm h LYS 600 CO 0.90 0.35 0.00 -0.40 -0.57 0.00 0.00 179.45 179.73 3fwm n ASP 601 N -4.21 1.36 -0.19 0.86 5.75 -1.26 -2.47 116.55 116.38 3fwm n ASP 601 Ca -0.02 -1.91 0.11 0.00 -0.01 0.00 0.00 54.79 52.96 3fwm n ASP 601 Cb 0.32 -0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.21 3fwm n ASP 601 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fwm n GLN 602 N 0.21 0.47 -3.03 0.11 1.13 -1.03 -4.91 117.38 110.33 3fwm n GLN 602 Ca 0.10 -0.38 -0.42 0.00 -1.94 0.00 0.00 57.00 54.36 3fwm n GLN 602 Cb 0.23 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.03 3fwm n GLN 602 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3fwm s LEU 603 N -2.79 4.14 -0.26 1.08 1.43 -1.03 -4.59 118.68 116.65 3fwm s LEU 603 Ca 0.12 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 3fwm s LEU 603 Cb 0.17 -2.93 0.07 0.00 0.03 0.00 0.00 46.19 43.52 3fwm s LEU 603 CO 0.74 -0.59 -0.06 -1.00 0.23 0.00 0.00 176.35 175.67 3fwm s HIS 604 N 2.83 2.92 -1.30 0.29 3.76 -1.26 -5.07 115.29 117.47 3fwm s HIS 604 Ca 0.28 -2.16 -0.17 0.00 -0.15 0.00 0.00 55.06 52.86 3fwm s HIS 604 Cb -0.14 -1.90 0.08 0.00 1.11 0.00 0.00 32.58 31.73 3fwm s HIS 604 CO 0.13 -0.85 1.72 -0.35 -0.85 0.00 0.00 174.74 174.55 3fwm n PRO 605 N 4.52 3.21 -4.28 8.40 -0.04 -1.26 -4.63 135.00 140.92 3fwm n PRO 605 Ca -0.11 -3.33 -0.15 0.00 -0.04 0.00 0.00 63.50 59.87 3fwm n PRO 605 Cb 0.43 -3.42 -0.10 0.00 -0.04 0.00 0.00 33.50 30.36 3fwm n PRO 605 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3fwm s VAL 606 N 3.79 1.22 0.45 0.52 -7.23 -1.26 -4.99 120.40 112.90 3fwm s VAL 606 Ca 0.52 -2.08 0.24 0.00 -1.81 0.00 0.00 61.98 58.85 3fwm s VAL 606 Cb 0.04 -1.99 0.43 0.00 0.56 0.00 0.00 36.38 35.42 3fwm s VAL 606 CO 0.06 -0.63 1.81 -0.65 -0.31 0.00 0.00 175.10 175.38 3fwm h PRO 607 N 2.68 0.26 0.00 4.82 0.11 -2.02 -1.53 132.00 136.32 3fwm h PRO 607 Ca -0.37 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3fwm h PRO 607 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fwm h PRO 607 CO 0.64 0.17 -0.13 0.00 -0.21 0.00 0.00 178.00 178.47 3fwm h ALA 608 N 1.57 1.12 -0.91 -0.75 0.00 -1.96 -1.92 119.26 116.41 3fwm h ALA 608 Ca 0.54 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.49 3fwm h ALA 608 Cb 1.62 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.29 3fwm h ALA 608 CO -0.18 0.16 0.50 1.98 0.00 0.00 0.00 179.25 181.71 3fwm h MET 609 N 0.00 0.67 -0.55 0.00 1.85 -1.49 -0.38 114.93 115.03 3fwm h MET 609 Ca -0.00 -0.04 0.11 0.00 -0.61 0.00 0.00 59.70 59.16 3fwm h MET 609 Cb 0.48 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 3fwm h MET 609 CO 0.02 0.44 0.37 -0.07 -0.40 0.00 0.00 176.91 177.28 3fwm h LEU 610 N 0.69 0.24 -2.85 3.39 3.38 -1.51 -1.09 115.31 117.55 3fwm h LEU 610 Ca 0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3fwm h LEU 610 Cb 0.72 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3fwm h LEU 610 CO -0.36 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.49 3fwm n LEU 611 N -4.45 3.94 0.00 1.67 4.77 -0.23 -4.47 117.00 118.23 3fwm n LEU 611 Ca 0.09 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.97 3fwm n LEU 611 Cb 0.43 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3fwm n LEU 611 CO 0.35 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3fwm n GLY 612 N 1.33 1.53 3.09 -0.72 0.00 -0.41 -3.95 105.19 106.06 3fwm n GLY 612 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3fwm n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwm n ALA 613 N -1.18 3.54 -3.42 4.61 0.00 -0.75 -2.43 120.51 120.89 3fwm n ALA 613 Ca 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 53.44 50.00 3fwm n ALA 613 Cb 0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 19.45 15.78 3fwm n ALA 613 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3fwm s LEU 614 N 2.31 -0.92 -0.31 0.00 2.96 -1.26 -4.44 118.68 117.02 3fwm s LEU 614 Ca 0.57 0.79 -0.13 0.00 -0.22 0.00 0.00 54.13 55.14 3fwm s LEU 614 Cb 0.13 1.64 -0.03 0.00 0.50 0.00 0.00 46.19 48.43 3fwm s LEU 614 CO 0.09 -0.26 0.27 0.20 -1.32 0.00 0.00 176.35 175.33 3fwm s ASN 615 N 2.70 6.10 0.11 3.68 0.02 -1.26 -1.60 114.94 124.69 3fwm s ASN 615 Ca 0.09 -0.15 0.03 0.00 -1.02 0.00 0.00 52.86 51.80 3fwm s ASN 615 Cb -0.14 -2.16 -0.04 0.00 0.02 0.00 0.00 41.25 38.93 3fwm s ASN 615 CO -0.17 -0.20 -0.08 -0.76 0.02 0.00 0.00 177.10 175.91 3fwm s LEU 616 N 1.86 2.49 0.56 0.60 1.43 -0.82 -4.67 118.68 120.14 3fwm s LEU 616 Ca 0.09 -0.96 -0.07 0.00 -1.03 0.00 0.00 54.13 52.16 3fwm s LEU 616 Cb -0.17 -0.17 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 3fwm s LEU 616 CO 0.11 -0.40 0.89 0.42 0.23 0.00 0.00 176.35 177.60 3fwm s THR 617 N -3.31 4.22 0.24 5.49 -4.23 -1.26 -0.26 115.64 116.53 3fwm s THR 617 Ca 0.11 0.22 -0.06 0.00 -1.18 0.00 0.00 61.69 60.78 3fwm s THR 617 Cb 0.03 -3.65 0.22 0.00 1.34 0.00 0.00 72.50 70.43 3fwm s THR 617 CO -0.03 -0.70 1.88 -0.65 -0.54 0.00 0.00 174.62 174.58 3fwm h PRO 618 N -0.09 1.06 -0.01 3.99 0.11 -1.73 -1.57 132.00 133.77 3fwm h PRO 618 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 3fwm h PRO 618 Cb 1.23 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3fwm h PRO 618 CO 0.61 0.70 -0.14 0.97 -0.21 0.00 0.00 178.00 179.93 3fwm h ILE 619 N 1.09 1.11 -0.13 4.15 2.10 -1.64 -0.05 117.51 124.14 3fwm h ILE 619 Ca 0.36 -0.51 -0.18 0.00 1.08 0.00 0.00 64.86 65.61 3fwm h ILE 619 Cb 0.04 1.26 0.01 0.00 -1.09 0.00 0.00 36.82 37.03 3fwm h ILE 619 CO -0.13 0.15 -0.61 -0.33 -1.08 0.00 0.00 178.15 176.15 3fwm h GLU 620 N 0.01 0.63 -0.42 2.19 5.08 -1.73 -2.63 114.58 117.73 3fwm h GLU 620 Ca 0.00 -0.51 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 3fwm h GLU 620 Cb 0.26 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 3fwm h GLU 620 CO 0.02 1.13 0.21 0.28 -1.00 0.00 0.00 179.01 179.65 3fwm h VAL 621 N 0.29 0.98 -0.57 3.13 2.07 -0.74 -2.56 116.25 118.85 3fwm h VAL 621 Ca -0.04 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.45 3fwm h VAL 621 Cb 1.25 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 3fwm h VAL 621 CO 0.13 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.77 3fwm h ALA 622 N 1.21 0.52 -0.61 1.67 0.00 -0.97 -0.09 119.26 121.00 3fwm h ALA 622 Ca 0.18 0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.39 3fwm h ALA 622 Cb 0.07 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.09 3fwm h ALA 622 CO -0.12 -0.40 0.03 0.37 0.00 0.00 0.00 179.25 179.13 3fwm h GLN 623 N 0.09 0.14 -0.34 0.00 5.75 -1.12 0.17 115.11 119.81 3fwm h GLN 623 Ca 0.29 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.75 3fwm h GLN 623 Cb 0.46 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 3fwm h GLN 623 CO -0.50 0.09 0.08 0.00 -2.65 0.00 0.00 178.83 175.85 3fwm h ALA 624 N 1.54 0.45 0.00 3.38 0.00 -0.67 -2.06 119.26 121.89 3fwm h ALA 624 Ca 0.32 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3fwm h ALA 624 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fwm h ALA 624 CO -0.50 0.11 -0.49 0.74 0.00 0.00 0.00 179.25 179.11 3fwm h PHE 625 N 0.39 0.00 -0.56 0.00 0.04 -0.99 -2.84 116.94 112.97 3fwm h PHE 625 Ca 0.11 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3fwm h PHE 625 Cb 0.30 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 3fwm h PHE 625 CO 0.02 0.49 0.25 0.37 -0.60 0.00 0.00 178.31 178.83 3fwm h GLN 626 N 0.00 0.80 -0.35 1.51 -0.00 -0.27 0.91 115.11 117.71 3fwm h GLN 626 Ca -0.00 -0.11 -0.06 0.00 -0.00 0.00 0.00 58.65 58.48 3fwm h GLN 626 Cb 1.14 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 28.46 3fwm h GLN 626 CO 0.06 0.64 -0.03 1.15 0.00 0.00 0.00 178.83 180.65 3fwm h THR 627 N 0.80 1.21 0.17 2.39 2.02 -1.14 -1.33 112.91 117.03 3fwm h THR 627 Ca 0.20 -0.88 -0.35 0.00 0.77 0.00 0.00 66.41 66.15 3fwm h THR 627 Cb 0.11 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3fwm h THR 627 CO -0.02 0.30 -1.74 -0.29 0.37 0.00 0.00 175.52 174.14 3fwm h ILE 628 N 0.54 0.94 -0.36 3.11 6.09 -1.44 0.30 117.51 126.68 3fwm h ILE 628 Ca 0.11 -2.55 0.02 0.00 -1.37 0.00 0.00 64.86 61.08 3fwm h ILE 628 Cb 0.39 2.74 -0.02 0.00 0.47 0.00 0.00 36.82 40.40 3fwm h ILE 628 CO 0.02 0.85 0.24 0.00 -3.07 0.00 0.00 178.15 176.19 3fwm h ALA 629 N 0.19 1.85 0.00 0.18 0.00 -0.74 -0.68 119.26 120.05 3fwm h ALA 629 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fwm h ALA 629 Cb 2.08 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3fwm h ALA 629 CO 0.17 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 3fwm n SER 630 N -4.49 0.00 0.00 0.00 3.41 -0.51 -4.83 113.62 107.21 3fwm n SER 630 Ca 0.03 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3fwm n SER 630 Cb 0.14 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3fwm n SER 630 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fwm n GLY 631 N 0.73 0.72 0.00 5.00 0.00 -0.26 -4.44 105.19 106.93 3fwm n GLY 631 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3fwm n GLY 631 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwm n GLY 632 N -2.29 1.00 3.57 -0.02 0.00 0.09 -4.04 105.19 103.48 3fwm n GLY 632 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3fwm n GLY 632 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fwm s ASN 633 N -2.09 5.79 -0.57 1.61 0.02 -1.17 -0.01 114.94 118.53 3fwm s ASN 633 Ca 0.00 -0.04 -0.26 0.00 -1.02 0.00 0.00 52.86 51.54 3fwm s ASN 633 Cb 0.00 -2.06 0.04 0.00 0.02 0.00 0.00 41.25 39.24 3fwm s ASN 633 CO 0.00 -0.02 1.07 -0.60 0.02 0.00 0.00 177.10 177.57 3fwm s ARG 634 N 1.56 3.42 -0.44 -0.60 3.52 0.93 -4.41 118.95 122.93 3fwm s ARG 634 Ca 0.07 -0.00 -0.15 0.00 -0.13 0.00 0.00 55.73 55.51 3fwm s ARG 634 Cb -0.15 -4.03 0.04 0.00 -1.56 0.00 0.00 34.95 29.25 3fwm s ARG 634 CO 0.08 -1.58 0.36 0.00 -0.81 0.00 0.00 175.30 173.34 3fwm s ALA 635 N 4.46 3.51 0.13 6.12 0.00 -1.26 -1.44 121.76 133.27 3fwm s ALA 635 Ca 0.37 -1.88 -0.34 0.00 0.00 0.00 0.00 51.96 50.11 3fwm s ALA 635 Cb -0.10 -2.99 -0.14 0.00 0.00 0.00 0.00 23.12 19.89 3fwm s ALA 635 CO 0.22 -1.60 1.57 -2.30 0.00 0.00 0.00 175.76 173.65 3fwm n PRO 636 N 5.24 2.01 -1.94 0.00 -0.02 -1.26 -4.41 135.00 134.61 3fwm n PRO 636 Ca -0.11 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3fwm n PRO 636 Cb 0.46 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3fwm n PRO 636 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fwm s LEU 637 N 1.14 4.37 0.05 2.45 1.43 -1.26 -4.80 118.68 122.06 3fwm s LEU 637 Ca 0.81 2.75 0.01 0.00 -1.03 0.00 0.00 54.13 56.66 3fwm s LEU 637 Cb -0.72 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 41.84 3fwm s LEU 637 CO 0.40 -0.76 -0.05 -0.94 0.23 0.00 0.00 176.35 175.23 3fwm s SER 638 N 0.41 0.69 0.00 2.29 1.04 -1.02 -4.99 113.70 112.12 3fwm s SER 638 Ca 0.60 -0.76 0.10 0.00 0.48 0.00 0.00 55.95 56.37 3fwm s SER 638 Cb -0.44 0.11 0.02 0.00 0.10 0.00 0.00 66.02 65.81 3fwm s SER 638 CO 0.44 -0.39 0.66 0.00 0.98 0.00 0.00 173.24 174.94 3fwm n ALA 639 N 0.79 2.72 -2.60 5.32 0.00 -1.26 -1.37 120.51 124.12 3fwm n ALA 639 Ca -0.18 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.46 3fwm n ALA 639 Cb 0.58 -0.33 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 3fwm n ALA 639 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3fwm s LEU 640 N -1.39 3.23 -0.08 0.00 1.43 -1.26 -1.55 118.68 119.05 3fwm s LEU 640 Ca 0.09 -0.04 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3fwm s LEU 640 Cb 0.08 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3fwm s LEU 640 CO 0.21 0.34 -0.09 -1.14 0.23 0.00 0.00 176.35 175.89 3fwm n ARG 641 N 1.98 0.19 -3.62 1.70 0.00 0.62 -4.74 116.66 112.78 3fwm n ARG 641 Ca -0.17 0.07 -0.10 0.00 -0.00 0.00 0.00 57.85 57.64 3fwm n ARG 641 Cb 0.53 -0.95 -0.03 0.00 0.00 0.00 0.00 32.46 32.01 3fwm n ARG 641 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3fwm s SER 642 N -5.36 -0.37 -0.09 6.15 1.04 -0.78 -1.81 113.70 112.48 3fwm s SER 642 Ca -0.11 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 3fwm s SER 642 Cb 0.04 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.77 3fwm s SER 642 CO 0.16 -1.02 -0.07 -0.69 0.98 0.00 0.00 173.24 172.61 3fwm s VAL 643 N -3.82 0.88 0.06 5.02 1.01 -0.09 -0.89 120.40 122.57 3fwm s VAL 643 Ca 0.05 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.90 3fwm s VAL 643 Cb -0.01 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3fwm s VAL 643 CO -0.07 0.33 -0.25 -0.63 0.00 0.00 0.00 175.10 174.48 3fwm s ILE 644 N 1.53 2.03 0.67 2.22 -1.09 0.14 0.49 121.20 127.19 3fwm s ILE 644 Ca 0.01 -1.39 -0.09 0.00 -2.23 0.00 0.00 60.65 56.94 3fwm s ILE 644 Cb -0.13 -1.75 0.02 0.00 -1.58 0.00 0.00 42.46 39.02 3fwm s ILE 644 CO -0.05 0.28 1.03 0.00 -1.23 0.00 0.00 174.94 174.97 3fwm s ALA 645 N -0.85 3.04 0.54 9.38 0.00 0.73 -0.16 121.76 134.45 3fwm s ALA 645 Ca 0.11 -0.54 0.31 0.00 0.00 0.00 0.00 51.96 51.84 3fwm s ALA 645 Cb -0.10 -2.84 1.47 0.00 0.00 0.00 0.00 23.12 21.66 3fwm s ALA 645 CO 0.03 -1.07 1.90 1.05 0.00 0.00 0.00 175.76 177.66 3fwm h GLU 646 N -0.51 0.01 -0.02 0.00 4.11 -1.52 0.29 114.58 116.93 3fwm h GLU 646 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3fwm h GLU 646 Cb 1.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3fwm h GLU 646 CO 0.63 0.00 -0.03 -0.40 0.07 0.00 0.00 179.01 179.28 3fwm n ASP 647 N -4.28 1.87 0.00 3.06 5.75 -1.26 -4.92 116.55 116.77 3fwm n ASP 647 Ca 0.18 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3fwm n ASP 647 Cb 0.94 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 3fwm n ASP 647 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwm n GLY 648 N 1.24 0.70 3.72 6.12 0.00 0.09 -5.06 105.19 112.00 3fwm n GLY 648 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fwm n GLY 648 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fwm s LYS 649 N -0.77 4.36 -0.52 1.61 2.20 -1.26 -4.71 119.74 120.65 3fwm s LYS 649 Ca 0.00 2.00 -0.29 0.00 -0.36 0.00 0.00 55.97 57.33 3fwm s LYS 649 Cb 0.00 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 3fwm s LYS 649 CO 0.00 -0.35 1.22 0.08 -0.36 0.00 0.00 175.35 175.94 3fwm s VAL 650 N 0.88 4.05 -0.04 4.02 1.01 -1.26 -0.19 120.40 128.87 3fwm s VAL 650 Ca 0.62 1.01 0.14 0.00 0.00 0.00 0.00 61.98 63.74 3fwm s VAL 650 Cb -0.35 -4.59 0.02 0.00 0.00 0.00 0.00 36.38 31.46 3fwm s VAL 650 CO 0.32 -1.13 1.47 -0.07 0.00 0.00 0.00 175.10 175.68 3fwm h LEU 651 N 11.81 0.00 -7.06 3.92 3.38 -0.29 -3.46 115.31 123.61 3fwm h LEU 651 Ca -0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3fwm h LEU 651 Cb 1.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 3fwm h LEU 651 CO 1.15 0.57 0.02 -0.47 0.09 0.00 0.00 178.44 179.81 3fwm s TYR 652 N -3.04 -0.80 -0.08 1.13 5.04 -0.72 -4.93 117.35 113.96 3fwm s TYR 652 Ca 0.03 1.82 -0.00 0.00 -2.44 0.00 0.00 57.07 56.47 3fwm s TYR 652 Cb 0.09 0.35 0.02 0.00 0.35 0.00 0.00 41.96 42.77 3fwm s TYR 652 CO 0.75 -0.39 -0.05 -1.14 -1.34 0.00 0.00 175.55 173.38 3fwm s GLN 653 N 0.76 1.07 0.14 4.97 2.00 -1.26 -0.91 119.66 126.43 3fwm s GLN 653 Ca -0.03 -0.11 -0.31 0.00 -2.00 0.00 0.00 55.36 52.91 3fwm s GLN 653 Cb -0.05 -1.20 -0.08 0.00 0.80 0.00 0.00 33.01 32.48 3fwm s GLN 653 CO -0.06 -0.22 1.35 0.45 -0.50 0.00 0.00 175.29 176.31 3fwm s SER 654 N 1.57 6.87 0.08 6.67 0.15 -0.75 -5.03 113.70 123.26 3fwm s SER 654 Ca 0.00 2.32 0.10 0.00 0.70 0.00 0.00 55.95 59.07 3fwm s SER 654 Cb -0.13 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3fwm s SER 654 CO -0.05 -0.60 -0.26 0.72 1.20 0.00 0.00 173.24 174.26 3fwm s PHE 655 N 0.80 2.26 0.19 3.44 -0.12 -1.26 -5.02 117.98 118.27 3fwm s PHE 655 Ca 0.62 -0.40 -0.32 0.00 -0.05 0.00 0.00 56.93 56.78 3fwm s PHE 655 Cb -0.36 -1.30 -0.15 0.00 -0.63 0.00 0.00 43.02 40.58 3fwm s PHE 655 CO 0.33 0.21 1.19 -2.30 -0.05 0.00 0.00 175.22 174.59 3fwm n PRO 656 N 1.40 1.31 -2.71 1.99 -0.02 -1.26 -4.93 135.00 130.78 3fwm n PRO 656 Ca -0.17 0.47 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3fwm n PRO 656 Cb 0.52 -1.98 0.11 0.00 -0.02 0.00 0.00 33.50 32.14 3fwm n PRO 656 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fwm n GLN 657 N 1.72 1.45 -1.66 -0.52 10.64 -1.26 -5.12 117.38 122.62 3fwm n GLN 657 Ca 0.14 -1.84 -0.45 0.00 -1.83 0.00 0.00 57.00 53.02 3fwm n GLN 657 Cb 0.26 -0.13 -0.02 0.00 -0.86 0.00 0.00 30.24 29.49 3fwm n GLN 657 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3fwm n ALA 658 N -1.25 0.83 -3.17 2.61 0.00 -1.26 -4.72 120.51 113.55 3fwm n ALA 658 Ca -0.11 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 3fwm n ALA 658 Cb 0.86 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 3fwm n ALA 658 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fwm s GLU 659 N -0.79 3.39 -0.31 0.00 2.56 -0.52 -4.88 118.70 118.14 3fwm s GLU 659 Ca 0.65 -0.67 -0.36 0.00 0.00 0.00 0.00 54.97 54.60 3fwm s GLU 659 Cb -0.66 -2.70 -0.12 0.00 2.00 0.00 0.00 34.13 32.65 3fwm s GLU 659 CO 0.53 0.14 2.10 -2.13 -0.56 0.00 0.00 175.26 175.35 3fwm n ARG 660 N 3.74 1.21 -0.06 4.30 3.00 -1.26 -0.05 116.66 127.54 3fwm n ARG 660 Ca -0.18 0.36 -0.13 0.00 -0.00 0.00 0.00 57.85 57.90 3fwm n ARG 660 Cb 0.52 -2.45 -0.04 0.00 0.00 0.00 0.00 32.46 30.49 3fwm n ARG 660 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fwm n ALA 661 N 9.00 1.96 -2.44 5.13 0.00 0.99 -4.91 120.51 130.24 3fwm n ALA 661 Ca 0.37 -0.57 -0.26 0.00 0.00 0.00 0.00 53.44 52.99 3fwm n ALA 661 Cb 0.23 0.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 3fwm n ALA 661 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3fwm s VAL 662 N -2.34 2.31 0.41 0.00 -7.23 -0.96 -4.96 120.40 107.63 3fwm s VAL 662 Ca -0.20 -2.11 -0.24 0.00 -1.81 0.00 0.00 61.98 57.61 3fwm s VAL 662 Cb 0.07 -2.13 -0.11 0.00 0.56 0.00 0.00 36.38 34.76 3fwm s VAL 662 CO 0.26 -0.21 0.97 -2.65 -0.31 0.00 0.00 175.10 173.16 3fwm n PRO 663 N 0.05 1.29 -0.07 4.82 -0.02 -1.26 -4.61 135.00 135.19 3fwm n PRO 663 Ca -0.11 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.77 3fwm n PRO 663 Cb 0.57 -1.98 0.12 0.00 -0.02 0.00 0.00 33.50 32.19 3fwm n PRO 663 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fwm h ALA 664 N 1.52 0.95 -0.49 3.55 0.00 -1.93 -1.38 119.26 121.47 3fwm h ALA 664 Ca -0.44 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.04 3fwm h ALA 664 Cb 1.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3fwm h ALA 664 CO 0.57 0.61 -0.02 1.96 0.00 0.00 0.00 179.25 182.37 3fwm h GLN 665 N 0.64 0.84 -0.14 0.00 7.50 -1.89 0.15 115.11 122.21 3fwm h GLN 665 Ca 0.10 -0.24 -0.08 0.00 0.50 0.00 0.00 58.65 58.92 3fwm h GLN 665 Cb 0.68 -0.09 -0.00 0.00 0.05 0.00 0.00 27.48 28.12 3fwm h GLN 665 CO 0.05 0.85 -0.24 0.00 -1.50 0.00 0.00 178.83 177.99 3fwm h ALA 666 N 1.20 0.22 -0.66 3.87 0.00 -1.73 -1.48 119.26 120.67 3fwm h ALA 666 Ca 0.15 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.77 3fwm h ALA 666 Cb 0.50 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 3fwm h ALA 666 CO 0.02 0.19 0.28 0.00 0.00 0.00 0.00 179.25 179.75 3fwm h ALA 667 N 0.56 0.89 -0.51 0.00 0.00 -1.20 -1.21 119.26 117.79 3fwm h ALA 667 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fwm h ALA 667 Cb 0.82 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fwm h ALA 667 CO 0.05 -0.14 0.24 -0.92 0.00 0.00 0.00 179.25 178.48 3fwm h TYR 668 N 0.48 0.75 -0.23 0.00 3.20 -0.63 -1.31 116.97 119.25 3fwm h TYR 668 Ca 0.34 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 3fwm h TYR 668 Cb 0.41 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3fwm h TYR 668 CO -0.14 0.59 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.72 3fwm h LEU 669 N 0.69 0.38 -0.40 2.82 3.38 -0.92 -1.33 115.31 119.92 3fwm h LEU 669 Ca 0.18 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 3fwm h LEU 669 Cb 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3fwm h LEU 669 CO -0.02 0.58 -0.31 0.74 0.09 0.00 0.00 178.44 179.52 3fwm h THR 670 N 0.36 1.28 -0.41 0.22 2.02 -0.88 -1.94 112.91 113.55 3fwm h THR 670 Ca 0.06 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.71 3fwm h THR 670 Cb 0.52 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3fwm h THR 670 CO 0.03 0.49 0.04 -0.07 0.37 0.00 0.00 175.52 176.39 3fwm h LEU 671 N 0.73 0.68 -0.83 2.58 4.07 -0.91 -1.04 115.31 120.60 3fwm h LEU 671 Ca 0.07 -0.28 0.07 0.00 0.08 0.00 0.00 57.88 57.83 3fwm h LEU 671 Cb 0.89 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 42.39 3fwm h LEU 671 CO 0.08 0.79 0.50 -0.25 -1.08 0.00 0.00 178.44 178.48 3fwm h TRP 672 N 0.54 0.91 -0.13 1.13 7.01 -1.25 0.70 115.95 124.88 3fwm h TRP 672 Ca 0.12 0.03 -0.14 0.00 2.11 0.00 0.00 58.89 61.00 3fwm h TRP 672 Cb 0.42 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3fwm h TRP 672 CO 0.03 0.43 -0.54 1.15 -2.79 0.00 0.00 178.44 176.72 3fwm h THR 673 N 0.88 1.35 0.00 2.65 2.02 -1.07 -2.14 112.91 116.60 3fwm h THR 673 Ca 0.38 -1.82 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 3fwm h THR 673 Cb 0.25 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3fwm h THR 673 CO -0.20 0.55 -0.09 0.24 0.37 0.00 0.00 175.52 176.39 3fwm h MET 674 N 0.29 0.00 -0.03 6.66 2.86 -0.61 0.11 114.93 124.21 3fwm h MET 674 Ca 0.01 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3fwm h MET 674 Cb 1.05 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 3fwm h MET 674 CO 0.09 0.09 -0.71 1.96 1.06 0.00 0.00 176.91 179.40 3fwm h GLN 675 N 0.00 0.19 -0.49 1.72 4.20 -0.24 -1.65 115.11 118.83 3fwm h GLN 675 Ca -0.00 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 3fwm h GLN 675 Cb 0.46 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3fwm h GLN 675 CO 0.01 0.82 -0.07 1.96 -0.67 0.00 0.00 178.83 180.88 3fwm h GLN 676 N 0.12 0.91 -0.22 1.46 1.08 -0.70 -1.02 115.11 116.75 3fwm h GLN 676 Ca -0.02 -0.33 0.05 0.00 -1.45 0.00 0.00 58.65 56.90 3fwm h GLN 676 Cb 1.26 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3fwm h GLN 676 CO 0.11 0.98 0.15 -0.39 -0.95 0.00 0.00 178.83 178.73 3fwm h VAL 677 N 0.77 0.93 0.00 -0.54 -1.51 -0.64 0.15 116.25 115.41 3fwm h VAL 677 Ca 0.13 -0.03 -0.20 0.00 -1.23 0.00 0.00 66.70 65.37 3fwm h VAL 677 Cb 0.61 0.84 -0.04 0.00 -2.13 0.00 0.00 31.29 30.58 3fwm h VAL 677 CO 0.04 0.01 -1.45 0.58 -1.23 0.00 0.00 177.57 175.53 3fwm h VAL 678 N 0.08 0.66 0.05 7.19 2.07 -1.32 0.66 116.25 125.65 3fwm h VAL 678 Ca 0.10 -2.27 -0.20 0.00 0.82 0.00 0.00 66.70 65.15 3fwm h VAL 678 Cb 0.30 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3fwm h VAL 678 CO -0.01 0.38 -1.02 -0.61 0.02 0.00 0.00 177.57 176.32 3fwm h GLN 679 N 0.00 0.11 0.00 1.57 4.15 -0.79 -2.41 115.11 117.74 3fwm h GLN 679 Ca -0.19 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.04 3fwm h GLN 679 Cb 1.72 0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.48 3fwm h GLN 679 CO 0.06 1.09 0.00 2.89 -1.93 0.00 0.00 178.83 180.94 3fwm n ARG 680 N -4.25 3.20 0.00 1.69 1.85 0.39 -4.72 116.66 114.81 3fwm n ARG 680 Ca -0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 3fwm n ARG 680 Cb 0.73 -0.36 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 3fwm n ARG 680 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3fwm n GLY 681 N 0.47 1.57 0.25 2.89 0.00 -0.44 -4.84 105.19 105.09 3fwm n GLY 681 Ca 0.00 -1.69 0.17 0.00 0.00 0.00 0.00 46.02 44.50 3fwm n GLY 681 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fwm h THR 682 N 0.00 0.00 -0.59 2.61 1.35 -1.35 -1.80 112.91 113.12 3fwm h THR 682 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3fwm h THR 682 Cb 0.00 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3fwm h THR 682 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3fwm n GLY 683 N -0.11 2.41 0.31 5.82 0.00 0.17 -4.63 105.19 109.15 3fwm n GLY 683 Ca 0.00 -0.76 0.20 0.00 0.00 0.00 0.00 46.02 45.47 3fwm n GLY 683 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3fwm h ARG 684 N 3.69 0.00 0.00 1.61 0.11 -1.28 -0.27 114.38 118.24 3fwm h ARG 684 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 3fwm h ARG 684 Cb 1.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.38 3fwm h ARG 684 CO 0.20 0.00 -0.14 -0.56 0.10 0.00 0.00 179.97 179.57 3fwm h GLN 685 N 0.00 0.00 0.00 0.08 3.07 -1.82 -2.56 115.11 113.88 3fwm h GLN 685 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.53 3fwm h GLN 685 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.66 3fwm h GLN 685 CO 0.00 0.14 -1.08 -0.07 0.09 0.00 0.00 178.83 177.91 3fwm h LEU 686 N 0.00 0.00 -0.84 0.06 3.38 -1.27 -3.22 115.31 113.42 3fwm h LEU 686 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fwm h LEU 686 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fwm h LEU 686 CO 0.02 0.92 0.00 1.23 0.09 0.00 0.00 178.44 180.70 3fwm h GLY 687 N 3.18 0.00 0.13 0.83 0.00 -1.01 -1.42 103.07 104.78 3fwm h GLY 687 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.89 3fwm h GLY 687 CO 0.11 0.00 -2.35 0.00 0.00 0.00 0.00 176.54 174.30 3fwm n ALA 688 N -1.91 1.39 0.02 3.60 0.00 -1.16 -2.94 120.51 119.52 3fwm n ALA 688 Ca 0.02 -1.09 -0.17 0.00 0.00 0.00 0.00 53.44 52.20 3fwm n ALA 688 Cb 0.30 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.45 3fwm n ALA 688 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3fwm h LYS 689 N 0.01 0.65 -2.26 0.00 1.57 -1.57 -3.37 116.57 111.59 3fwm h LYS 689 Ca -0.53 -0.61 -0.58 0.00 -1.87 0.00 0.00 60.65 57.06 3fwm h LYS 689 Cb 2.02 0.15 -0.42 0.00 0.08 0.00 0.00 32.23 34.07 3fwm h LYS 689 CO -0.02 1.22 -0.69 0.66 -0.57 0.00 0.00 179.45 180.04 3fwm n TYR 690 N -3.86 3.70 0.14 -1.35 4.01 -0.54 -4.90 117.16 114.36 3fwm n TYR 690 Ca -0.08 -3.98 0.06 0.00 -0.16 0.00 0.00 57.90 53.73 3fwm n TYR 690 Cb 0.80 -0.48 0.53 0.00 -0.31 0.00 0.00 39.34 39.88 3fwm n TYR 690 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3fwm h PRO 691 N 2.99 0.25 0.00 -0.72 0.13 -1.71 -2.47 132.00 130.48 3fwm h PRO 691 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3fwm h PRO 691 Cb 0.55 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3fwm h PRO 691 CO 0.79 0.18 0.00 0.09 -0.23 0.00 0.00 178.00 178.83 3fwm n ASN 692 N -4.49 0.00 0.06 1.44 3.02 -1.26 -2.95 115.26 111.08 3fwm n ASN 692 Ca -0.00 -0.14 0.12 0.00 -0.03 0.00 0.00 54.58 54.52 3fwm n ASN 692 Cb 0.09 -0.29 0.22 0.00 -0.61 0.00 0.00 39.78 39.20 3fwm n ASN 692 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fwm n LEU 693 N -1.29 0.66 -4.26 3.41 4.77 -0.93 -4.77 117.00 114.60 3fwm n LEU 693 Ca 0.14 0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 56.05 3fwm n LEU 693 Cb 0.24 -0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3fwm n LEU 693 CO 0.23 -0.05 -0.39 1.41 -1.33 0.00 0.00 177.39 177.27 3fwm n HIS 694 N -2.04 -1.17 -1.67 -1.77 8.25 -1.15 -1.46 115.22 114.22 3fwm n HIS 694 Ca 0.04 0.59 -0.37 0.00 -0.26 0.00 0.00 57.72 57.72 3fwm n HIS 694 Cb 0.42 -2.45 0.06 0.00 1.12 0.00 0.00 29.99 29.14 3fwm n HIS 694 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fwm n LEU 695 N -4.28 4.79 -4.63 2.41 7.99 -1.26 -4.55 117.00 117.47 3fwm n LEU 695 Ca -0.22 0.82 -0.34 0.00 -0.01 0.00 0.00 56.01 56.26 3fwm n LEU 695 Cb 0.61 -1.47 -0.10 0.00 -0.11 0.00 0.00 43.42 42.35 3fwm n LEU 695 CO 0.83 -1.46 -0.34 0.00 -1.51 0.00 0.00 177.39 174.91 3fwm s ALA 696 N -1.45 3.14 0.16 -1.18 0.00 -0.75 -4.29 121.76 117.39 3fwm s ALA 696 Ca 0.79 -0.84 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 3fwm s ALA 696 Cb -0.40 -1.38 0.06 0.00 0.00 0.00 0.00 23.12 21.40 3fwm s ALA 696 CO 0.44 0.56 0.86 0.20 0.00 0.00 0.00 175.76 177.82 3fwm s GLY 697 N -0.77 -0.26 -0.11 0.00 0.00 -0.64 0.23 107.32 105.78 3fwm s GLY 697 Ca 0.12 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 44.96 3fwm s GLY 697 CO 0.02 0.04 0.23 1.25 0.00 0.00 0.00 173.10 174.64 3fwm s LYS 698 N -3.45 0.15 0.40 2.90 2.47 -0.22 -4.65 119.74 117.34 3fwm s LYS 698 Ca 0.10 0.60 -0.24 0.00 -1.56 0.00 0.00 55.97 54.88 3fwm s LYS 698 Cb -0.02 -0.11 -0.09 0.00 -1.46 0.00 0.00 37.83 36.14 3fwm s LYS 698 CO 0.01 -0.23 1.02 0.95 0.16 0.00 0.00 175.35 177.26 3fwm s THR 699 N 1.82 3.88 -0.13 3.43 -4.23 -1.26 -1.33 115.64 117.82 3fwm s THR 699 Ca -0.04 1.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 3fwm s THR 699 Cb -0.11 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.04 3fwm s THR 699 CO -0.08 -0.03 -0.14 -0.83 -0.54 0.00 0.00 174.62 173.00 3fwm s GLY 700 N -1.68 1.06 0.18 3.99 0.00 0.02 -3.52 107.32 107.37 3fwm s GLY 700 Ca 0.58 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.56 3fwm s GLY 700 CO 0.25 0.45 -0.12 -0.51 0.00 0.00 0.00 173.10 173.17 3fwm s THR 701 N 1.33 1.43 0.19 0.90 -4.23 -1.26 -0.95 115.64 113.05 3fwm s THR 701 Ca 0.01 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 3fwm s THR 701 Cb -0.14 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 3fwm s THR 701 CO -0.07 -0.66 -0.04 0.42 -0.54 0.00 0.00 174.62 173.73 3fwm s THR 702 N -3.16 1.07 0.02 3.99 -4.23 -1.19 -1.62 115.64 110.52 3fwm s THR 702 Ca 0.20 -2.04 -0.37 0.00 -1.18 0.00 0.00 61.69 58.30 3fwm s THR 702 Cb 0.01 -2.14 -0.16 0.00 1.34 0.00 0.00 72.50 71.56 3fwm s THR 702 CO 0.04 -0.50 1.50 -3.20 -0.54 0.00 0.00 174.62 171.92 3fwm n ASN 703 N -0.32 2.19 -0.33 3.99 4.05 -1.26 -0.59 115.26 122.99 3fwm n ASN 703 Ca -0.07 1.09 -0.04 0.00 0.45 0.00 0.00 54.58 56.01 3fwm n ASN 703 Cb 0.63 -1.24 -0.02 0.00 1.23 0.00 0.00 39.78 40.38 3fwm n ASN 703 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3fwm n ASN 704 N 3.52 -5.14 -3.72 1.20 4.13 -1.26 -3.31 115.26 110.68 3fwm n ASN 704 Ca 0.20 0.11 -0.22 0.00 1.68 0.00 0.00 54.58 56.35 3fwm n ASN 704 Cb 0.21 -3.02 0.03 0.00 -1.54 0.00 0.00 39.78 35.46 3fwm n ASN 704 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3fwm n ASN 705 N -0.68 -1.27 -0.12 6.41 4.13 0.24 -4.07 115.26 119.90 3fwm n ASN 705 Ca -0.04 -0.85 -0.10 0.00 1.68 0.00 0.00 54.58 55.27 3fwm n ASN 705 Cb 0.41 -3.93 -0.02 0.00 -1.54 0.00 0.00 39.78 34.70 3fwm n ASN 705 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3fwm h VAL 706 N -1.85 1.23 -4.25 2.41 2.07 -1.73 -2.17 116.25 111.95 3fwm h VAL 706 Ca -0.62 -0.81 -0.54 0.00 0.82 0.00 0.00 66.70 65.56 3fwm h VAL 706 Cb 1.36 1.10 -0.28 0.00 -1.52 0.00 0.00 31.29 31.95 3fwm h VAL 706 CO 0.57 0.27 -0.83 -1.81 0.02 0.00 0.00 177.57 175.79 3fwm s ASP 707 N -5.97 2.08 0.03 0.57 1.01 -1.26 -4.21 116.67 108.92 3fwm s ASP 707 Ca -0.13 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 52.77 3fwm s ASP 707 Cb 0.09 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.79 3fwm s ASP 707 CO 0.76 0.18 -0.06 0.42 0.21 0.00 0.00 175.17 176.68 3fwm s THR 708 N -0.54 0.43 0.03 -1.27 -4.23 -0.67 -3.14 115.64 106.25 3fwm s THR 708 Ca 0.06 -0.95 -0.15 0.00 -1.18 0.00 0.00 61.69 59.47 3fwm s THR 708 Cb -0.07 -0.50 0.02 0.00 1.34 0.00 0.00 72.50 73.29 3fwm s THR 708 CO 0.00 -0.36 0.33 0.26 -0.54 0.00 0.00 174.62 174.32 3fwm s TRP 709 N -1.26 -0.16 -0.02 3.99 0.52 -0.13 -1.05 118.94 120.84 3fwm s TRP 709 Ca -0.10 0.10 -0.01 0.00 0.02 0.00 0.00 56.10 56.11 3fwm s TRP 709 Cb -0.09 0.12 0.01 0.00 -1.15 0.00 0.00 33.47 32.36 3fwm s TRP 709 CO 0.00 -0.49 0.04 0.12 0.02 0.00 0.00 176.95 176.63 3fwm s PHE 710 N -2.26 -0.03 -0.21 -1.98 2.19 -0.04 -0.80 117.98 114.85 3fwm s PHE 710 Ca -0.07 0.11 0.02 0.00 0.33 0.00 0.00 56.93 57.31 3fwm s PHE 710 Cb -0.02 -0.03 0.03 0.00 -1.31 0.00 0.00 43.02 41.70 3fwm s PHE 710 CO -0.01 -0.03 -0.17 0.00 1.83 0.00 0.00 175.22 176.84 3fwm s ALA 711 N 0.21 2.39 -0.14 11.12 0.00 -0.44 -1.15 121.76 133.75 3fwm s ALA 711 Ca -0.02 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.58 3fwm s ALA 711 Cb -0.02 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.79 3fwm s ALA 711 CO -0.01 -0.64 -0.22 0.20 0.00 0.00 0.00 175.76 175.10 3fwm s GLY 712 N 1.24 1.35 -0.24 0.00 0.00 -0.62 -1.05 107.32 107.99 3fwm s GLY 712 Ca 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 3fwm s GLY 712 CO -0.10 0.01 -0.03 -0.42 0.00 0.00 0.00 173.10 172.56 3fwm s ILE 713 N 0.86 3.29 0.00 0.90 1.01 0.14 -0.98 121.20 126.42 3fwm s ILE 713 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3fwm s ILE 713 Cb -0.15 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.73 3fwm s ILE 713 CO -0.03 0.30 0.00 -0.90 0.00 0.00 0.00 174.94 174.31 3fwm n ASP 714 N 4.77 0.79 -0.26 3.58 3.85 -0.54 -1.81 116.55 126.94 3fwm n ASP 714 Ca -0.17 -0.85 0.17 0.00 -0.71 0.00 0.00 54.79 53.23 3fwm n ASP 714 Cb 0.49 0.00 0.47 0.00 -1.35 0.00 0.00 41.12 40.73 3fwm n ASP 714 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3fwm h GLY 715 N 0.00 1.02 0.00 6.12 0.00 -1.02 -3.30 103.07 105.89 3fwm h GLY 715 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3fwm h GLY 715 CO 0.00 0.01 -0.66 1.44 0.00 0.00 0.00 176.54 177.33 3fwm n SER 716 N -4.55 3.29 -4.15 0.19 7.64 -1.26 -4.92 113.62 109.86 3fwm n SER 716 Ca 0.19 -0.04 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 3fwm n SER 716 Cb 0.63 0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 64.47 3fwm n SER 716 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3fwm s THR 717 N -1.39 0.06 -0.11 0.44 -4.23 -1.24 -0.88 115.64 108.28 3fwm s THR 717 Ca 0.00 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3fwm s THR 717 Cb 0.00 -2.21 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3fwm s THR 717 CO 0.00 -0.25 -0.22 -0.69 -0.54 0.00 0.00 174.62 172.92 3fwm s VAL 718 N -4.08 1.97 -0.15 2.29 1.01 0.48 -1.46 120.40 120.46 3fwm s VAL 718 Ca 0.29 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3fwm s VAL 718 Cb 0.07 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3fwm s VAL 718 CO 0.06 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.60 3fwm s THR 719 N 0.57 1.96 -0.16 3.92 2.01 -0.15 -0.73 115.64 123.06 3fwm s THR 719 Ca -0.14 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 60.89 3fwm s THR 719 Cb -0.17 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 3fwm s THR 719 CO 0.04 0.53 0.06 -0.63 -0.69 0.00 0.00 174.62 173.93 3fwm s ILE 720 N 0.99 4.75 -0.08 1.82 -1.09 0.17 -1.58 121.20 126.19 3fwm s ILE 720 Ca -0.03 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.35 3fwm s ILE 720 Cb -0.15 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 3fwm s ILE 720 CO -0.05 0.50 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.14 3fwm s THR 721 N 0.03 1.24 -0.04 2.92 2.01 -0.30 -0.58 115.64 120.91 3fwm s THR 721 Ca 0.05 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.59 3fwm s THR 721 Cb -0.12 -1.13 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 3fwm s THR 721 CO 0.01 0.38 -0.21 0.86 -0.69 0.00 0.00 174.62 174.97 3fwm s TRP 722 N 0.77 2.50 -0.05 4.92 -0.00 -0.36 -0.86 118.94 125.85 3fwm s TRP 722 Ca -0.12 -0.41 0.02 0.00 -0.00 0.00 0.00 56.10 55.59 3fwm s TRP 722 Cb -0.16 -1.58 0.02 0.00 -0.00 0.00 0.00 33.47 31.75 3fwm s TRP 722 CO 0.02 -0.00 -0.08 0.08 -0.00 0.00 0.00 176.95 176.97 3fwm s VAL 723 N -0.52 0.77 0.00 5.86 1.01 -0.22 -1.49 120.40 125.81 3fwm s VAL 723 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3fwm s VAL 723 Cb -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3fwm s VAL 723 CO 0.01 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3fwm n GLY 724 N 3.92 0.71 3.39 4.51 0.00 -0.84 -1.67 105.19 115.20 3fwm n GLY 724 Ca -0.24 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 3fwm n GLY 724 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fwm s ARG 725 N -0.85 2.04 0.39 1.61 0.52 -1.26 -0.38 118.95 121.03 3fwm s ARG 725 Ca 0.00 -0.98 0.08 0.00 -0.52 0.00 0.00 55.73 54.31 3fwm s ARG 725 Cb 0.00 -2.10 0.84 0.00 0.52 0.00 0.00 34.95 34.21 3fwm s ARG 725 CO 0.00 0.55 2.00 -0.44 0.02 0.00 0.00 175.30 177.43 3fwm h ASP 726 N 4.95 0.53 0.07 0.23 3.32 -1.95 -0.87 116.42 122.70 3fwm h ASP 726 Ca -0.46 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3fwm h ASP 726 Cb 1.14 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3fwm h ASP 726 CO 0.46 0.36 -0.00 -0.46 -1.72 0.00 0.00 179.24 177.88 3fwm n ASN 727 N -4.47 0.06 -0.62 6.45 0.23 -1.26 -4.91 115.26 110.74 3fwm n ASN 727 Ca 0.08 -0.92 -0.07 0.00 -0.53 0.00 0.00 54.58 53.14 3fwm n ASN 727 Cb 0.20 -0.03 -0.02 0.00 -2.08 0.00 0.00 39.78 37.85 3fwm n ASN 727 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3fwm n ASN 728 N -0.99 -3.24 -4.98 0.53 3.02 -0.33 -5.03 115.26 104.24 3fwm n ASN 728 Ca 0.23 0.09 -0.20 0.00 -0.03 0.00 0.00 54.58 54.66 3fwm n ASN 728 Cb 0.14 -1.89 -0.00 0.00 -0.61 0.00 0.00 39.78 37.41 3fwm n ASN 728 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fwm s GLN 729 N -3.36 3.14 0.52 3.52 -0.21 -1.26 -4.97 119.66 117.04 3fwm s GLN 729 Ca 0.00 -0.88 -0.22 0.00 0.02 0.00 0.00 55.36 54.28 3fwm s GLN 729 Cb 0.00 -2.77 -0.06 0.00 1.00 0.00 0.00 33.01 31.18 3fwm s GLN 729 CO 0.00 0.03 1.34 -2.14 -2.12 0.00 0.00 175.29 172.40 3fwm s PRO 730 N -4.24 3.31 0.20 2.91 0.02 -1.26 -4.56 135.00 131.39 3fwm s PRO 730 Ca 0.45 2.20 0.23 0.00 0.02 0.00 0.00 61.00 63.90 3fwm s PRO 730 Cb -0.10 -2.34 0.05 0.00 0.02 0.00 0.00 34.50 32.13 3fwm s PRO 730 CO 0.32 -1.04 1.09 1.79 -0.33 0.00 0.00 177.00 178.84 3fwm h THR 731 N 1.64 0.00 0.00 0.99 1.35 -1.53 -3.48 112.91 111.88 3fwm h THR 731 Ca -0.51 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3fwm h THR 731 Cb 1.29 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3fwm h THR 731 CO 0.58 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.14 3fwm n LYS 732 N -2.61 0.00 -1.43 4.72 4.76 -1.26 -4.95 118.16 117.38 3fwm n LYS 732 Ca 0.01 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.09 3fwm n LYS 732 Cb 0.53 -2.34 0.08 0.00 -1.84 0.00 0.00 35.03 31.47 3fwm n LYS 732 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3fwm n LEU 733 N 0.00 4.10 -4.39 -0.35 4.77 -1.26 -5.00 117.00 114.87 3fwm n LEU 733 Ca 0.00 0.70 -0.33 0.00 -0.03 0.00 0.00 56.01 56.35 3fwm n LEU 733 Cb 0.00 -1.44 -0.14 0.00 -2.33 0.00 0.00 43.42 39.51 3fwm n LEU 733 CO 0.00 -1.79 -0.43 -0.31 -1.33 0.00 0.00 177.39 173.53 3fwm s TYR 734 N -1.74 2.85 0.00 -1.77 2.02 -1.26 -4.85 117.35 112.60 3fwm s TYR 734 Ca 0.75 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 3fwm s TYR 734 Cb -0.35 -1.87 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3fwm s TYR 734 CO 0.48 -0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 3fwm n GLY 735 N 3.59 0.81 0.61 0.71 0.00 -1.26 -2.73 105.19 106.92 3fwm n GLY 735 Ca -0.18 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.02 3fwm n GLY 735 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwm n ALA 736 N 1.92 2.65 0.29 4.61 0.00 -1.26 -4.14 120.51 124.57 3fwm n ALA 736 Ca 0.00 -0.23 0.16 0.00 0.00 0.00 0.00 53.44 53.37 3fwm n ALA 736 Cb 0.00 -1.01 0.84 0.00 0.00 0.00 0.00 19.45 19.28 3fwm n ALA 736 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3fwm h SER 737 N 0.50 0.00 0.18 0.00 0.02 -1.90 -0.29 113.55 112.06 3fwm h SER 737 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3fwm h SER 737 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3fwm h SER 737 CO 0.05 0.06 -0.09 1.23 -1.14 0.00 0.00 176.83 176.95 3fwm h GLY 738 N 0.81 -0.26 1.79 -3.77 0.00 -1.80 -1.38 103.07 98.46 3fwm h GLY 738 Ca -0.00 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 3fwm h GLY 738 CO 0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 176.54 176.12 3fwm h ALA 739 N -0.23 1.22 -0.07 3.60 0.00 -1.82 -2.54 119.26 119.41 3fwm h ALA 739 Ca -0.03 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 3fwm h ALA 739 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3fwm h ALA 739 CO 0.04 0.53 -0.58 0.52 0.00 0.00 0.00 179.25 179.76 3fwm h MET 740 N 0.21 0.24 -0.02 0.00 2.86 -1.12 -2.18 114.93 114.92 3fwm h MET 740 Ca 0.03 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 3fwm h MET 740 Cb 0.69 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 3fwm h MET 740 CO 0.05 0.75 -0.59 0.66 1.06 0.00 0.00 176.91 178.84 3fwm h SER 741 N 0.18 0.08 -0.06 1.22 4.64 -0.85 0.09 113.55 118.84 3fwm h SER 741 Ca -0.00 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3fwm h SER 741 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3fwm h SER 741 CO 0.09 0.65 -0.14 0.40 -0.87 0.00 0.00 176.83 176.97 3fwm h ILE 742 N 0.05 1.42 -0.80 0.95 1.08 -1.43 -2.21 117.51 116.57 3fwm h ILE 742 Ca -0.01 -1.47 -0.02 0.00 -0.39 0.00 0.00 64.86 62.98 3fwm h ILE 742 Cb 1.06 2.24 -0.04 0.00 -3.07 0.00 0.00 36.82 37.01 3fwm h ILE 742 CO 0.08 0.41 0.42 0.22 -0.69 0.00 0.00 178.15 178.58 3fwm h TYR 743 N -0.30 1.12 -0.67 1.37 3.20 -1.39 0.11 116.97 120.42 3fwm h TYR 743 Ca 0.00 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 3fwm h TYR 743 Cb 0.73 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3fwm h TYR 743 CO 0.12 0.80 0.18 -0.56 -1.64 0.00 0.00 178.16 177.06 3fwm h GLN 744 N 1.12 1.04 -0.47 1.82 3.07 -0.96 0.23 115.11 120.96 3fwm h GLN 744 Ca 0.28 -0.23 -0.07 0.00 0.09 0.00 0.00 58.65 58.72 3fwm h GLN 744 Cb 0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.46 3fwm h GLN 744 CO -0.04 0.91 0.01 0.00 0.09 0.00 0.00 178.83 179.80 3fwm h ARG 745 N 1.00 0.78 -0.22 0.06 3.08 -0.89 -2.19 114.38 115.98 3fwm h ARG 745 Ca 0.21 -0.20 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3fwm h ARG 745 Cb 0.32 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3fwm h ARG 745 CO -0.00 0.78 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.72 3fwm h TYR 746 N 0.73 -0.08 0.00 3.04 3.20 0.99 -1.25 116.97 123.60 3fwm h TYR 746 Ca 0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3fwm h TYR 746 Cb 0.43 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 3fwm h TYR 746 CO 0.02 -0.07 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.39 3fwm h LEU 747 N 0.02 0.00 -0.01 2.82 3.38 -0.32 -2.37 115.31 118.84 3fwm h LEU 747 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3fwm h LEU 747 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fwm h LEU 747 CO -0.21 0.01 -0.53 0.00 0.09 0.00 0.00 178.44 177.80 3fwm h ALA 748 N 1.99 0.66 -0.00 1.53 0.00 -0.75 -3.31 119.26 119.38 3fwm h ALA 748 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fwm h ALA 748 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fwm h ALA 748 CO 0.00 0.67 -0.10 0.09 0.00 0.00 0.00 179.25 179.91 3fwm n ASN 749 N -3.24 0.28 -1.29 0.00 3.02 -0.54 -4.88 115.26 108.61 3fwm n ASN 749 Ca 0.02 -0.25 -0.02 0.00 -0.03 0.00 0.00 54.58 54.29 3fwm n ASN 749 Cb 0.75 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.74 3fwm n ASN 749 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fwm n GLN 750 N -1.18 0.07 -3.69 3.52 -0.00 -1.22 -4.73 117.38 110.16 3fwm n GLN 750 Ca 0.12 -0.43 -0.38 0.00 -0.00 0.00 0.00 57.00 56.31 3fwm n GLN 750 Cb 0.28 0.37 -0.10 0.00 -0.00 0.00 0.00 30.24 30.79 3fwm n GLN 750 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3fwm s THR 751 N -2.30 3.66 0.58 -0.39 2.01 -1.26 -4.91 115.64 113.04 3fwm s THR 751 Ca 0.05 -1.94 -0.15 0.00 0.31 0.00 0.00 61.69 59.96 3fwm s THR 751 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3fwm s THR 751 CO 0.03 -0.72 1.03 -2.84 -0.69 0.00 0.00 174.62 171.44 3fwm s PRO 752 N 1.23 3.49 -0.17 4.92 0.02 -1.26 -5.03 135.00 138.20 3fwm s PRO 752 Ca 0.07 1.07 -0.13 0.00 0.02 0.00 0.00 61.00 62.03 3fwm s PRO 752 Cb -0.24 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 3fwm s PRO 752 CO -0.03 -0.66 0.27 0.99 -0.33 0.00 0.00 177.00 177.24 3fwm s THR 753 N -2.62 5.32 0.44 0.99 2.01 -1.26 -5.03 115.64 115.50 3fwm s THR 753 Ca 0.61 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.85 3fwm s THR 753 Cb -0.14 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 3fwm s THR 753 CO 0.38 0.39 1.39 -2.65 -0.69 0.00 0.00 174.62 173.45 3fwm n PRO 754 N 3.58 2.18 -2.85 4.92 -0.02 -1.26 -0.87 135.00 140.68 3fwm n PRO 754 Ca -0.12 0.78 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 3fwm n PRO 754 Cb 0.52 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 3fwm n PRO 754 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3fwm s LEU 755 N -2.43 4.12 -0.62 2.45 2.96 -0.53 -3.40 118.68 121.22 3fwm s LEU 755 Ca 0.61 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3fwm s LEU 755 Cb -0.46 -2.89 0.16 0.00 0.50 0.00 0.00 46.19 43.50 3fwm s LEU 755 CO 0.58 -1.17 0.48 0.20 -1.32 0.00 0.00 176.35 175.11 3fwm s ASN 756 N 2.70 5.65 -0.32 3.68 -0.87 -1.26 -4.61 114.94 119.91 3fwm s ASN 756 Ca 0.31 -2.59 -0.28 0.00 -1.57 0.00 0.00 52.86 48.73 3fwm s ASN 756 Cb -0.12 -1.96 -0.03 0.00 -0.02 0.00 0.00 41.25 39.12 3fwm s ASN 756 CO 0.20 -0.48 1.91 -0.76 -2.57 0.00 0.00 177.10 175.40 3fwm s LEU 757 N 0.33 3.48 -0.18 0.60 1.43 -1.26 -4.98 118.68 118.10 3fwm s LEU 757 Ca 0.14 1.39 -0.23 0.00 -1.03 0.00 0.00 54.13 54.40 3fwm s LEU 757 Cb -0.19 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 3fwm s LEU 757 CO -0.04 -1.82 0.75 -0.69 0.23 0.00 0.00 176.35 174.77 3fwm s VAL 758 N 7.44 4.94 0.19 -1.59 1.01 -1.26 -5.03 120.40 126.09 3fwm s VAL 758 Ca 0.84 1.44 -0.30 0.00 0.00 0.00 0.00 61.98 63.96 3fwm s VAL 758 Cb -0.24 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 3fwm s VAL 758 CO 0.33 0.06 1.21 -2.84 0.00 0.00 0.00 175.10 173.86 3fwm s PRO 759 N 2.07 4.48 0.84 2.72 0.02 -1.26 -5.03 135.00 138.84 3fwm s PRO 759 Ca 0.34 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 63.12 3fwm s PRO 759 Cb -0.16 -3.23 0.20 0.00 0.02 0.00 0.00 34.50 31.33 3fwm s PRO 759 CO 0.11 -0.11 0.85 -0.35 -0.33 0.00 0.00 177.00 177.18 3fwm n PRO 760 N 2.50 -2.05 -1.52 5.54 -0.04 -1.26 -4.96 135.00 133.21 3fwm n PRO 760 Ca 0.04 -1.35 -0.36 0.00 -0.04 0.00 0.00 63.50 61.80 3fwm n PRO 760 Cb 0.44 -1.13 0.09 0.00 -0.04 0.00 0.00 33.50 32.86 3fwm n PRO 760 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fwm s GLU 761 N -4.91 2.23 -1.33 0.54 8.01 -1.26 -3.42 118.70 118.57 3fwm s GLU 761 Ca 0.53 1.93 0.00 0.00 0.01 0.00 0.00 54.97 57.44 3fwm s GLU 761 Cb -0.04 -1.82 0.00 0.00 -4.31 0.00 0.00 34.13 27.96 3fwm s GLU 761 CO 0.39 -1.81 0.00 -0.25 0.01 0.00 0.00 175.26 173.60 3fwm n ASP 762 N -2.42 -4.46 -4.55 -0.19 10.43 -1.26 -4.86 116.55 109.24 3fwm n ASP 762 Ca 0.15 0.19 -0.35 0.00 2.57 0.00 0.00 54.79 57.35 3fwm n ASP 762 Cb 0.49 -3.36 -0.11 0.00 1.84 0.00 0.00 41.12 39.98 3fwm n ASP 762 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3fwm s ILE 763 N -2.58 4.40 -0.01 0.53 -1.09 -1.22 0.44 121.20 121.67 3fwm s ILE 763 Ca 0.00 -0.17 0.04 0.00 -2.23 0.00 0.00 60.65 58.29 3fwm s ILE 763 Cb 0.00 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.89 3fwm s ILE 763 CO 0.00 0.44 -0.12 0.00 -1.23 0.00 0.00 174.94 174.04 3fwm s ALA 764 N 0.64 0.96 -0.20 9.38 0.00 0.02 -4.91 121.76 127.65 3fwm s ALA 764 Ca 0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.23 3fwm s ALA 764 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3fwm s ALA 764 CO 0.02 0.24 0.79 -0.51 0.00 0.00 0.00 175.76 176.29 3fwm s ASP 765 N -0.28 6.87 0.08 0.00 1.01 -1.26 -0.02 116.67 123.06 3fwm s ASP 765 Ca 0.04 1.07 0.07 0.00 0.71 0.00 0.00 52.55 54.44 3fwm s ASP 765 Cb -0.04 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3fwm s ASP 765 CO -0.00 -0.41 -0.19 -0.04 0.21 0.00 0.00 175.17 174.74 3fwm s MET 766 N 2.30 1.11 0.16 8.23 -1.94 0.92 -4.91 119.30 125.18 3fwm s MET 766 Ca 0.35 -1.05 -0.15 0.00 -1.71 0.00 0.00 55.69 53.13 3fwm s MET 766 Cb -0.16 -1.29 -0.07 0.00 2.01 0.00 0.00 34.83 35.32 3fwm s MET 766 CO 0.11 0.31 0.58 0.20 -0.01 0.00 0.00 175.02 176.21 3fwm s GLY 767 N -1.66 2.49 0.09 -0.03 0.00 -1.26 0.12 107.32 107.07 3fwm s GLY 767 Ca 0.05 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.77 3fwm s GLY 767 CO 0.03 0.23 -0.18 -1.34 0.00 0.00 0.00 173.10 171.84 3fwm s VAL 768 N -1.47 1.48 0.69 1.40 -7.23 -0.20 -1.53 120.40 113.54 3fwm s VAL 768 Ca 0.39 -1.47 -0.09 0.00 -1.81 0.00 0.00 61.98 59.01 3fwm s VAL 768 Cb -0.15 -1.38 0.15 0.00 0.56 0.00 0.00 36.38 35.56 3fwm s VAL 768 CO 0.19 -0.13 0.95 -0.90 -0.31 0.00 0.00 175.10 174.90 3fwm n ASP 769 N 1.13 0.41 -0.08 4.85 3.85 -0.33 -2.15 116.55 124.23 3fwm n ASP 769 Ca -0.20 -1.55 0.01 0.00 -0.71 0.00 0.00 54.79 52.34 3fwm n ASP 769 Cb 0.54 -0.69 0.30 0.00 -1.35 0.00 0.00 41.12 39.92 3fwm n ASP 769 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.20 176.41 3fwm h TYR 770 N -1.25 0.69 0.00 2.11 -0.00 -1.99 -0.75 116.97 115.79 3fwm h TYR 770 Ca -0.31 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.40 3fwm h TYR 770 Cb 0.93 -0.22 0.00 0.00 -0.00 0.00 0.00 36.73 37.44 3fwm h TYR 770 CO 0.00 0.53 0.00 -3.47 -0.00 0.00 0.00 178.16 175.22 3fwm n ASP 771 N -4.37 0.00 0.00 -2.11 4.64 -1.26 -4.86 116.55 108.59 3fwm n ASP 771 Ca 0.04 0.44 0.00 0.00 -1.38 0.00 0.00 54.79 53.89 3fwm n ASP 771 Cb 0.14 -0.46 0.00 0.00 -1.04 0.00 0.00 41.12 39.76 3fwm n ASP 771 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3fwm n GLY 772 N -0.90 0.74 3.82 0.27 0.00 -0.29 -5.06 105.19 103.78 3fwm n GLY 772 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3fwm n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fwm s ASN 773 N -2.63 7.01 0.66 1.61 0.01 -1.26 -4.74 114.94 115.60 3fwm s ASN 773 Ca 0.00 1.32 -0.16 0.00 -0.71 0.00 0.00 52.86 53.31 3fwm s ASN 773 Cb 0.00 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.28 3fwm s ASN 773 CO 0.00 0.08 1.19 -0.36 -1.51 0.00 0.00 177.10 176.50 3fwm s PHE 774 N -1.46 2.28 0.02 2.20 0.08 -1.26 -1.18 117.98 118.66 3fwm s PHE 774 Ca 0.40 1.56 0.02 0.00 0.12 0.00 0.00 56.93 59.03 3fwm s PHE 774 Cb -0.17 -3.42 -0.02 0.00 -0.57 0.00 0.00 43.02 38.84 3fwm s PHE 774 CO 0.21 -2.30 -0.08 0.08 -0.10 0.00 0.00 175.22 173.03 3fwm s VAL 775 N -1.89 0.59 0.05 -0.44 1.01 -0.58 -4.08 120.40 115.05 3fwm s VAL 775 Ca 0.74 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 3fwm s VAL 775 Cb -0.28 -0.57 -0.15 0.00 0.00 0.00 0.00 36.38 35.38 3fwm s VAL 775 CO 0.40 -0.11 1.49 0.00 0.00 0.00 0.00 175.10 176.88 3fwm s SER 777 N -5.61 0.46 0.00 0.00 1.04 -1.26 -4.93 113.70 103.39 3fwm s SER 777 Ca -0.14 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3fwm s SER 777 Cb 0.05 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3fwm s SER 777 CO 0.69 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 175.09 3fwm n GLY 778 N 0.83 -0.57 0.00 7.32 0.00 -1.26 -5.08 105.19 106.43 3fwm n GLY 778 Ca -0.19 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3fwm n GLY 778 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwm n GLY 779 N 0.00 2.64 0.23 -0.02 0.00 -1.26 -4.46 105.19 102.33 3fwm n GLY 779 Ca 0.00 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.56 3fwm n GLY 779 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3fwm n MET 780 N 1.22 0.70 -3.77 1.61 0.00 -0.92 -4.84 117.12 111.12 3fwm n MET 780 Ca 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 57.70 57.11 3fwm n MET 780 Cb 0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 33.22 31.62 3fwm n MET 780 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3fwm s ARG 781 N -2.62 0.34 -0.17 3.17 3.52 -1.20 -5.04 118.95 116.94 3fwm s ARG 781 Ca 0.20 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 3fwm s ARG 781 Cb 0.18 0.15 0.01 0.00 -1.56 0.00 0.00 34.95 33.73 3fwm s ARG 781 CO 0.59 -0.05 -0.17 0.42 -0.81 0.00 0.00 175.30 175.28 3fwm s ILE 782 N 0.24 2.39 -0.03 4.11 1.01 -1.26 -1.03 121.20 126.63 3fwm s ILE 782 Ca -0.01 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.85 3fwm s ILE 782 Cb -0.03 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 3fwm s ILE 782 CO -0.00 0.52 -0.17 -0.76 0.00 0.00 0.00 174.94 174.52 3fwm s LEU 783 N 1.09 1.97 0.39 2.97 1.43 0.12 -4.89 118.68 121.76 3fwm s LEU 783 Ca -0.00 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.50 3fwm s LEU 783 Cb -0.14 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 3fwm s LEU 783 CO -0.06 0.18 1.23 -2.16 0.23 0.00 0.00 176.35 175.78 3fwm s PRO 784 N -0.17 4.07 -0.03 1.29 0.04 -1.26 -0.06 135.00 138.89 3fwm s PRO 784 Ca 0.01 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3fwm s PRO 784 Cb -0.09 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.71 3fwm s PRO 784 CO 0.01 -0.36 0.02 0.08 0.04 0.00 0.00 177.00 176.79 3fwm s VAL 785 N -1.31 0.04 -0.53 -0.36 1.01 0.97 -4.73 120.40 115.49 3fwm s VAL 785 Ca 0.56 0.17 -0.27 0.00 0.00 0.00 0.00 61.98 62.43 3fwm s VAL 785 Cb -0.35 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 3fwm s VAL 785 CO 0.44 0.12 1.77 0.86 0.00 0.00 0.00 175.10 178.29 3fwm s TRP 786 N 1.10 1.81 -0.21 5.22 -0.11 -1.26 -0.80 118.94 124.69 3fwm s TRP 786 Ca -0.09 0.70 -0.27 0.00 1.22 0.00 0.00 56.10 57.67 3fwm s TRP 786 Cb -0.13 -4.15 0.08 0.00 -1.50 0.00 0.00 33.47 27.77 3fwm s TRP 786 CO -0.02 -2.41 0.75 0.99 -4.62 0.00 0.00 176.95 171.63 3fwm s THR 787 N 7.99 0.00 -2.58 5.86 2.01 0.17 -4.89 115.64 124.21 3fwm s THR 787 Ca 0.68 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.92 3fwm s THR 787 Cb -0.15 -1.00 0.38 0.00 0.01 0.00 0.00 72.50 71.74 3fwm s THR 787 CO 0.25 0.00 1.39 -1.54 -0.69 0.00 0.00 174.62 174.03 3fwm n SER 788 N 2.10 3.19 -2.77 3.53 3.41 -1.26 -4.18 113.62 117.64 3fwm n SER 788 Ca -0.15 -1.96 -0.06 0.00 -0.26 0.00 0.00 58.87 56.43 3fwm n SER 788 Cb 0.56 -0.18 0.03 0.00 -0.26 0.00 0.00 64.21 64.35 3fwm n SER 788 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fwm n ASP 789 N 1.35 -3.14 -0.01 4.04 4.64 -1.26 -5.00 116.55 117.16 3fwm n ASP 789 Ca 0.18 -3.09 0.00 0.00 -1.38 0.00 0.00 54.79 50.50 3fwm n ASP 789 Cb 0.58 1.74 0.00 0.00 -1.04 0.00 0.00 41.12 42.40 3fwm n ASP 789 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 3fwm n PRO 790 N 2.35 0.00 -0.17 -0.67 -0.02 -1.26 -2.39 135.00 132.83 3fwm n PRO 790 Ca 0.14 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 3fwm n PRO 790 Cb 0.59 -1.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.14 3fwm n PRO 790 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3fwm n GLN 791 N -0.16 1.65 0.25 -0.52 3.00 -1.26 -1.83 117.38 118.51 3fwm n GLN 791 Ca 0.00 -0.56 0.11 0.00 -0.01 0.00 0.00 57.00 56.54 3fwm n GLN 791 Cb 0.00 -1.59 0.59 0.00 0.00 0.00 0.00 30.24 29.24 3fwm n GLN 791 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 3fwm h SER 792 N 0.66 0.00 0.31 1.08 0.87 -1.93 -3.19 113.55 111.35 3fwm h SER 792 Ca 0.01 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.25 3fwm h SER 792 Cb 0.83 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 3fwm h SER 792 CO 0.10 0.00 -1.93 0.00 -0.53 0.00 0.00 176.83 174.47 3fwm n LEU 793 N -2.47 1.04 0.26 2.23 -0.00 -0.76 -2.75 117.00 114.55 3fwm n LEU 793 Ca -0.01 0.27 0.09 0.00 -0.00 0.00 0.00 56.01 56.36 3fwm n LEU 793 Cb 0.33 0.00 0.67 0.00 -0.00 0.00 0.00 43.42 44.43 3fwm n LEU 793 CO 0.10 0.51 1.01 0.00 -0.00 0.00 0.00 177.39 179.01 3fwm h GLN 795 N 0.00 0.02 0.21 0.00 4.15 -1.68 -2.95 115.11 114.86 3fwm h GLN 795 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3fwm h GLN 795 Cb 0.15 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3fwm h GLN 795 CO 0.01 0.78 -0.20 0.37 -1.93 0.00 0.00 178.83 177.85 3fwm h GLN 796 N -0.73 -0.43 -1.30 1.69 5.75 -1.20 -2.32 115.11 116.57 3fwm h GLN 796 Ca -0.00 0.03 0.38 0.00 -0.15 0.00 0.00 58.65 58.90 3fwm h GLN 796 Cb 0.79 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 29.36 3fwm h GLN 796 CO 0.01 -0.29 0.90 0.77 -2.65 0.00 0.00 178.83 177.57 3fwm h SER 797 N -0.44 0.14 -0.02 -0.69 0.02 -0.94 -2.62 113.55 108.99 3fwm h SER 797 Ca -0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3fwm h SER 797 Cb 0.42 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3fwm h SER 797 CO -0.05 -0.01 0.00 -1.84 -1.14 0.00 0.00 176.83 173.79 3fwm n GLU 798 N -4.32 1.05 0.33 3.45 0.28 -0.87 -3.83 120.64 116.73 3fwm n GLU 798 Ca 0.30 -0.07 -0.16 0.00 -0.16 0.00 0.00 57.16 57.07 3fwm n GLU 798 Cb 1.32 -1.11 -0.08 0.00 1.43 0.00 0.00 31.44 32.99 3fwm n GLU 798 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3fwm h MET 799 N 0.10 -0.94 0.00 3.44 -0.00 -1.63 -3.51 114.93 112.39 3fwm h MET 799 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 3fwm h MET 799 Cb 0.12 0.21 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 3fwm h MET 799 CO 0.00 -0.63 0.00 1.04 -0.00 0.00 0.00 176.91 177.33