#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h94 n GLN 90 N 0.00 0.00 -2.22 -2.82 3.00 -1.26 -3.15 117.38 110.93 3h94 n GLN 90 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 3h94 n GLN 90 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.24 3h94 n GLN 90 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3h94 s ASN 91 N 0.00 5.82 0.65 1.08 3.84 -1.26 -4.98 114.94 120.09 3h94 s ASN 91 Ca 0.00 2.00 -0.17 0.00 0.21 0.00 0.00 52.86 54.90 3h94 s ASN 91 Cb 0.00 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 3h94 s ASN 91 CO 0.00 -1.14 0.69 -0.11 -2.79 0.00 0.00 177.10 173.74 3h94 n LEU 92 N -1.52 1.86 0.00 3.21 -0.00 -1.26 -4.76 117.00 114.52 3h94 n LEU 92 Ca 0.10 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 3h94 n LEU 92 Cb 0.52 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 3h94 n LEU 92 CO 0.43 -2.67 0.00 0.61 -0.00 0.00 0.00 177.39 175.77 3h94 n GLY 93 N 1.53 -0.56 3.52 -3.96 0.00 -1.26 -5.05 105.19 99.41 3h94 n GLY 93 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3h94 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h94 s VAL 94 N 0.00 2.03 0.06 1.61 1.01 -1.26 -4.56 120.40 119.29 3h94 s VAL 94 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 3h94 s VAL 94 Cb 0.00 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.30 3h94 s VAL 94 CO 0.00 -0.01 0.33 -0.75 0.00 0.00 0.00 175.10 174.67 3h94 s LYS 95 N -4.51 0.88 0.08 2.72 2.20 -1.00 -4.98 119.74 115.13 3h94 s LYS 95 Ca 0.68 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3h94 s LYS 95 Cb -0.24 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 3h94 s LYS 95 CO 0.64 -0.30 -0.03 -0.08 -0.36 0.00 0.00 175.35 175.22 3h94 s THR 96 N -2.91 0.39 0.12 3.43 -1.32 -1.26 -2.92 115.64 111.16 3h94 s THR 96 Ca -0.02 -1.87 -0.06 0.00 -1.21 0.00 0.00 61.69 58.52 3h94 s THR 96 Cb 0.00 -1.66 -0.02 0.00 -1.51 0.00 0.00 72.50 69.31 3h94 s THR 96 CO -0.06 -0.87 0.16 0.00 -2.21 0.00 0.00 174.62 171.64 3h94 s ALA 97 N -3.82 0.20 -0.06 11.08 0.00 -0.37 -4.56 121.76 124.23 3h94 s ALA 97 Ca 0.11 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3h94 s ALA 97 Cb 0.07 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.87 3h94 s ALA 97 CO -0.06 -0.53 -0.07 -0.08 0.00 0.00 0.00 175.76 175.01 3h94 s THR 98 N -3.95 0.78 0.28 0.00 -1.32 -1.26 -1.02 115.64 109.15 3h94 s THR 98 Ca 0.14 -0.26 -0.30 0.00 -1.21 0.00 0.00 61.69 60.06 3h94 s THR 98 Cb 0.05 -0.77 -0.13 0.00 -1.51 0.00 0.00 72.50 70.15 3h94 s THR 98 CO -0.04 0.28 1.39 0.52 -2.21 0.00 0.00 174.62 174.56 3h94 n VAL 99 N 4.05 1.29 -4.18 5.08 0.31 -0.75 -4.86 118.33 119.28 3h94 n VAL 99 Ca -0.23 -0.32 -0.12 0.00 -0.01 0.00 0.00 64.34 63.66 3h94 n VAL 99 Cb 0.51 -1.57 -0.10 0.00 -0.91 0.00 0.00 33.84 31.77 3h94 n VAL 99 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3h94 s THR 100 N -0.38 0.82 -0.22 2.52 -4.23 -1.09 -1.34 115.64 111.72 3h94 s THR 100 Ca 0.64 -1.84 -0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3h94 s THR 100 Cb -0.60 -1.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 3h94 s THR 100 CO 0.53 -0.76 0.12 -0.60 -0.54 0.00 0.00 174.62 173.38 3h94 s ARG 101 N -3.47 4.02 0.09 3.99 3.52 -1.26 -1.21 118.95 124.64 3h94 s ARG 101 Ca 0.10 -0.30 -0.26 0.00 -0.13 0.00 0.00 55.73 55.13 3h94 s ARG 101 Cb 0.02 -3.41 0.08 0.00 -1.56 0.00 0.00 34.95 30.08 3h94 s ARG 101 CO -0.03 0.14 0.92 0.20 -0.81 0.00 0.00 175.30 175.72 3h94 s GLY 102 N 0.80 -0.33 0.87 8.12 0.00 0.17 -4.89 107.32 112.06 3h94 s GLY 102 Ca 0.06 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.13 3h94 s GLY 102 CO 0.02 0.13 1.11 2.56 0.00 0.00 0.00 173.10 176.93 3h94 s PRO 103 N -3.24 1.48 0.05 2.90 0.04 -1.26 -0.04 135.00 134.93 3h94 s PRO 103 Ca 0.09 0.49 0.07 0.00 0.04 0.00 0.00 61.00 61.69 3h94 s PRO 103 Cb -0.01 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 3h94 s PRO 103 CO -0.02 -2.01 -0.18 -0.51 0.04 0.00 0.00 177.00 174.32 3h94 s LEU 104 N -5.98 2.63 -0.22 -3.56 1.43 -1.26 -4.83 118.68 106.90 3h94 s LEU 104 Ca 0.63 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.21 3h94 s LEU 104 Cb -0.15 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3h94 s LEU 104 CO 0.54 0.25 0.11 0.42 0.23 0.00 0.00 176.35 177.90 3h94 s THR 105 N -0.95 4.96 -0.22 5.49 -4.23 -1.26 -2.61 115.64 116.81 3h94 s THR 105 Ca 0.15 0.04 -0.06 0.00 -1.18 0.00 0.00 61.69 60.64 3h94 s THR 105 Cb -0.11 -3.29 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 3h94 s THR 105 CO 0.06 0.39 0.02 -0.36 -0.54 0.00 0.00 174.62 174.19 3h94 s PHE 106 N 0.89 3.05 -0.16 3.99 0.08 -0.55 -4.79 117.98 120.50 3h94 s PHE 106 Ca 0.06 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 3h94 s PHE 106 Cb -0.13 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.12 3h94 s PHE 106 CO 0.03 -0.33 0.24 0.00 -0.10 0.00 0.00 175.22 175.06 3h94 s ALA 107 N 1.31 3.65 0.11 5.36 0.00 -1.26 -0.50 121.76 130.44 3h94 s ALA 107 Ca 0.04 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.53 3h94 s ALA 107 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3h94 s ALA 107 CO 0.02 0.18 -0.11 -1.14 0.00 0.00 0.00 175.76 174.71 3h94 s GLN 108 N 0.20 0.92 -0.08 0.00 0.74 -0.93 -5.01 119.66 115.51 3h94 s GLN 108 Ca 0.15 -1.21 0.03 0.00 0.05 0.00 0.00 55.36 54.38 3h94 s GLN 108 Cb -0.13 -0.66 0.01 0.00 1.10 0.00 0.00 33.01 33.33 3h94 s GLN 108 CO 0.03 0.11 -0.18 0.45 -0.55 0.00 0.00 175.29 175.15 3h94 s SER 109 N -2.51 2.40 0.15 6.67 0.15 -1.26 -1.27 113.70 118.03 3h94 s SER 109 Ca 0.07 -0.42 0.06 0.00 0.70 0.00 0.00 55.95 56.37 3h94 s SER 109 Cb -0.03 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 3h94 s SER 109 CO 0.01 0.10 -0.13 -0.36 1.20 0.00 0.00 173.24 174.06 3h94 s PHE 110 N 0.46 1.46 -0.29 3.44 0.08 0.47 -4.95 117.98 118.64 3h94 s PHE 110 Ca -0.15 -0.61 -0.10 0.00 0.12 0.00 0.00 56.93 56.19 3h94 s PHE 110 Cb -0.16 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 3h94 s PHE 110 CO 0.06 0.19 0.16 -1.25 -0.10 0.00 0.00 175.22 174.28 3h94 s PRO 111 N -3.22 3.59 0.19 0.24 0.04 -1.26 0.78 135.00 135.35 3h94 s PRO 111 Ca 0.15 -0.55 -0.03 0.00 0.04 0.00 0.00 61.00 60.61 3h94 s PRO 111 Cb -0.02 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.90 3h94 s PRO 111 CO 0.03 -0.31 0.41 0.00 0.04 0.00 0.00 177.00 177.17 3h94 s ALA 112 N 1.67 3.79 -0.07 8.56 0.00 0.25 -4.55 121.76 131.41 3h94 s ALA 112 Ca 0.06 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3h94 s ALA 112 Cb -0.16 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 3h94 s ALA 112 CO 0.07 0.49 -0.12 -0.80 0.00 0.00 0.00 175.76 175.41 3h94 s ASN 113 N -2.91 4.21 -0.20 0.00 -0.87 -0.10 -2.99 114.94 112.08 3h94 s ASN 113 Ca 0.40 -0.17 -0.13 0.00 -1.57 0.00 0.00 52.86 51.39 3h94 s ASN 113 Cb -0.11 -1.07 -0.05 0.00 -0.02 0.00 0.00 41.25 40.00 3h94 s ASN 113 CO 0.28 0.32 0.27 -0.69 -2.57 0.00 0.00 177.10 174.70 3h94 s VAL 114 N -0.55 5.30 0.06 1.60 1.01 -1.25 -0.38 120.40 126.19 3h94 s VAL 114 Ca 0.08 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3h94 s VAL 114 Cb -0.12 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3h94 s VAL 114 CO 0.02 0.35 -0.07 -0.55 0.00 0.00 0.00 175.10 174.84 3h94 s SER 115 N 0.77 0.93 0.16 3.32 0.15 0.11 -0.10 113.70 119.03 3h94 s SER 115 Ca 0.14 -0.74 -0.30 0.00 0.70 0.00 0.00 55.95 55.74 3h94 s SER 115 Cb -0.13 0.07 -0.07 0.00 -1.71 0.00 0.00 66.02 64.17 3h94 s SER 115 CO 0.04 -0.33 1.03 -0.31 1.20 0.00 0.00 173.24 174.88 3h94 s TYR 116 N -2.36 3.72 0.23 3.44 4.12 -1.26 -0.05 117.35 125.19 3h94 s TYR 116 Ca -0.01 1.71 -0.30 0.00 0.02 0.00 0.00 57.07 58.49 3h94 s TYR 116 Cb -0.03 -3.16 -0.09 0.00 -1.52 0.00 0.00 41.96 37.16 3h94 s TYR 116 CO -0.02 -0.18 1.06 0.54 0.02 0.00 0.00 175.55 176.97 3h94 s ASN 117 N -0.19 7.36 0.21 2.29 2.20 -1.26 -4.87 114.94 120.67 3h94 s ASN 117 Ca 0.47 2.12 -0.08 0.00 -0.94 0.00 0.00 52.86 54.43 3h94 s ASN 117 Cb -0.27 -2.61 0.15 0.00 -2.00 0.00 0.00 41.25 36.52 3h94 s ASN 117 CO 0.33 -0.10 1.76 -0.33 -2.94 0.00 0.00 177.10 175.82 3h94 h GLU 118 N 4.44 1.19 0.00 3.55 3.07 -1.99 -3.20 114.58 121.63 3h94 h GLU 118 Ca -0.45 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.17 3h94 h GLU 118 Cb 1.21 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3h94 h GLU 118 CO 0.69 0.98 0.00 0.66 -1.40 0.00 0.00 179.01 179.94 3h94 n TYR 119 N -4.26 0.00 -0.10 4.33 4.02 -1.26 -3.98 117.16 115.91 3h94 n TYR 119 Ca 0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.07 3h94 n TYR 119 Cb 0.21 -0.22 0.29 0.00 -0.02 0.00 0.00 39.34 39.60 3h94 n TYR 119 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3h94 n GLN 120 N -1.22 2.55 -2.39 -0.72 -0.06 -1.21 -4.93 117.38 109.39 3h94 n GLN 120 Ca 0.15 -2.40 -0.25 0.00 -2.00 0.00 0.00 57.00 52.51 3h94 n GLN 120 Cb 0.20 -1.52 0.12 0.00 -4.06 0.00 0.00 30.24 24.98 3h94 n GLN 120 CO 0.00 0.00 0.00 1.52 -0.20 0.00 0.00 177.06 178.38 3h94 s TYR 121 N -1.13 1.75 -0.04 3.69 -0.00 -1.26 -3.31 117.35 117.06 3h94 s TYR 121 Ca 0.44 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.07 57.46 3h94 s TYR 121 Cb 0.23 -3.28 0.03 0.00 -0.00 0.00 0.00 41.96 38.94 3h94 s TYR 121 CO 0.31 -1.89 0.01 0.00 -0.00 0.00 0.00 175.55 173.98 3h94 s ALA 122 N -3.32 0.36 -0.27 9.51 0.00 0.32 -4.95 121.76 123.41 3h94 s ALA 122 Ca 0.67 0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 3h94 s ALA 122 Cb -0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 3h94 s ALA 122 CO 0.46 -0.22 0.19 0.96 0.00 0.00 0.00 175.76 177.16 3h94 s ILE 123 N 1.40 5.31 -0.44 0.00 -5.25 -1.26 -0.40 121.20 120.57 3h94 s ILE 123 Ca -0.05 0.20 -0.19 0.00 -0.99 0.00 0.00 60.65 59.62 3h94 s ILE 123 Cb -0.13 -3.53 0.03 0.00 2.95 0.00 0.00 42.46 41.77 3h94 s ILE 123 CO -0.03 0.27 0.55 -0.69 -1.79 0.00 0.00 174.94 173.25 3h94 s VAL 124 N 1.59 4.95 0.15 8.37 1.01 0.24 -4.99 120.40 131.71 3h94 s VAL 124 Ca 0.08 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 61.98 3h94 s VAL 124 Cb -0.15 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3h94 s VAL 124 CO 0.09 -0.55 -0.23 0.00 0.00 0.00 0.00 175.10 174.42 3h94 s GLN 125 N 2.49 1.33 -0.18 2.72 -2.07 -1.26 0.14 119.66 122.83 3h94 s GLN 125 Ca 0.17 -1.36 -0.05 0.00 -1.82 0.00 0.00 55.36 52.30 3h94 s GLN 125 Cb -0.16 -1.62 -0.03 0.00 -1.09 0.00 0.00 33.01 30.12 3h94 s GLN 125 CO 0.16 0.36 -0.00 0.00 -1.32 0.00 0.00 175.29 174.49 3h94 s ALA 126 N -1.49 3.08 0.12 2.60 0.00 -0.57 -4.84 121.76 120.66 3h94 s ALA 126 Ca 0.14 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 3h94 s ALA 126 Cb -0.08 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.24 3h94 s ALA 126 CO 0.07 0.01 1.06 1.03 0.00 0.00 0.00 175.76 177.92 3h94 s ARG 127 N 0.71 4.60 0.46 0.00 0.52 -1.26 -3.10 118.95 120.88 3h94 s ARG 127 Ca -0.00 1.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 3h94 s ARG 127 Cb -0.14 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 31.99 3h94 s ARG 127 CO 0.02 0.05 0.00 0.00 0.02 0.00 0.00 175.30 175.39 3h94 n ALA 128 N 2.94 0.00 -2.83 2.13 0.00 -0.95 -4.88 120.51 116.92 3h94 n ALA 128 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 3h94 n ALA 128 Cb 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 3h94 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h94 s ALA 129 N -1.32 1.57 0.21 0.00 0.00 -1.26 -3.57 121.76 117.39 3h94 s ALA 129 Ca 0.00 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.06 3h94 s ALA 129 Cb 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.64 3h94 s ALA 129 CO 0.00 0.30 0.53 0.20 0.00 0.00 0.00 175.76 176.79 3h94 s GLY 130 N -0.05 -0.01 0.35 0.00 0.00 -0.75 -4.82 107.32 102.04 3h94 s GLY 130 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.30 3h94 s GLY 130 CO 0.02 -0.30 0.67 -1.36 0.00 0.00 0.00 173.10 172.13 3h94 s PHE 131 N -3.89 3.47 0.19 1.90 0.40 -1.25 -0.26 117.98 118.53 3h94 s PHE 131 Ca 0.11 0.88 -0.04 0.00 -0.60 0.00 0.00 56.93 57.28 3h94 s PHE 131 Cb -0.01 -2.30 -0.05 0.00 0.51 0.00 0.00 43.02 41.17 3h94 s PHE 131 CO -0.01 0.03 0.42 0.42 0.70 0.00 0.00 175.22 176.79 3h94 s ILE 132 N -2.22 5.14 0.04 0.64 1.09 -0.87 -3.31 121.20 121.72 3h94 s ILE 132 Ca 0.48 -0.07 -0.02 0.00 -1.10 0.00 0.00 60.65 59.94 3h94 s ILE 132 Cb -0.10 -3.68 -0.03 0.00 -1.06 0.00 0.00 42.46 37.59 3h94 s ILE 132 CO 0.30 -0.10 0.01 -1.81 -0.10 0.00 0.00 174.94 173.23 3h94 s ASP 133 N -2.81 0.36 0.00 3.58 1.11 0.50 -1.12 116.67 118.29 3h94 s ASP 133 Ca 0.41 -0.79 0.00 0.00 0.18 0.00 0.00 52.55 52.35 3h94 s ASP 133 Cb -0.11 0.19 0.00 0.00 1.07 0.00 0.00 42.92 44.07 3h94 s ASP 133 CO 0.27 -0.53 0.00 1.17 1.18 0.00 0.00 175.17 177.26 3h94 n LYS 134 N 0.52 0.00 0.00 8.23 3.00 -1.26 -2.33 118.16 126.32 3h94 n LYS 134 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.14 3h94 n LYS 134 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 3h94 n LYS 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3h94 n VAL 135 N 0.00 0.00 -1.21 3.15 0.31 -1.26 -4.92 118.33 114.40 3h94 n VAL 135 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 3h94 n VAL 135 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3h94 n VAL 135 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3h94 n TYR 136 N -1.96 -3.05 -2.26 3.52 4.01 -1.26 -4.51 117.16 111.66 3h94 n TYR 136 Ca 0.00 1.54 -0.42 0.00 -0.16 0.00 0.00 57.90 58.85 3h94 n TYR 136 Cb 0.00 -2.77 0.00 0.00 -0.31 0.00 0.00 39.34 36.27 3h94 n TYR 136 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3h94 n PRO 137 N -3.78 3.68 -4.16 -0.72 -0.04 -1.26 -4.93 135.00 123.78 3h94 n PRO 137 Ca -0.00 -3.46 -0.16 0.00 -0.04 0.00 0.00 63.50 59.84 3h94 n PRO 137 Cb 0.55 -2.91 -0.12 0.00 -0.04 0.00 0.00 33.50 30.98 3h94 n PRO 137 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h94 s LEU 138 N -0.22 2.31 0.00 1.53 2.01 -1.26 -5.07 118.68 117.98 3h94 s LEU 138 Ca 0.41 -0.67 0.00 0.00 0.01 0.00 0.00 54.13 53.89 3h94 s LEU 138 Cb 0.11 -0.41 0.00 0.00 0.01 0.00 0.00 46.19 45.90 3h94 s LEU 138 CO -0.01 -0.15 0.55 0.35 1.01 0.00 0.00 176.35 178.10 3h94 n THR 139 N 1.08 0.30 -0.00 5.49 -2.24 -1.26 -5.01 114.28 112.64 3h94 n THR 139 Ca -0.20 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3h94 n THR 139 Cb 0.55 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 3h94 n THR 139 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h94 n VAL 140 N -0.15 0.00 -3.28 2.28 0.31 -1.25 -4.93 118.33 111.30 3h94 n VAL 140 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3h94 n VAL 140 Cb 0.22 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.07 3h94 n VAL 140 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h94 n GLY 141 N -2.00 2.98 3.15 2.92 0.00 -1.26 -4.58 105.19 106.40 3h94 n GLY 141 Ca 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 3h94 n GLY 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h94 s ASP 142 N -1.09 0.28 0.18 1.61 2.15 -1.26 -4.99 116.67 113.54 3h94 s ASP 142 Ca 0.35 -0.78 -0.26 0.00 0.43 0.00 0.00 52.55 52.28 3h94 s ASP 142 Cb 0.13 0.27 -0.08 0.00 -0.30 0.00 0.00 42.92 42.95 3h94 s ASP 142 CO -0.12 -0.65 0.81 -0.54 -0.17 0.00 0.00 175.17 174.50 3h94 s LYS 143 N -3.76 4.63 0.03 4.34 -0.14 -1.26 -3.32 119.74 120.26 3h94 s LYS 143 Ca 0.05 1.23 -0.00 0.00 -1.36 0.00 0.00 55.97 55.89 3h94 s LYS 143 Cb 0.06 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 3h94 s LYS 143 CO -0.10 0.54 -0.03 0.14 -0.76 0.00 0.00 175.35 175.14 3h94 s VAL 144 N -1.08 0.15 -0.22 3.17 -7.23 0.19 -4.97 120.40 110.41 3h94 s VAL 144 Ca 0.37 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.42 3h94 s VAL 144 Cb -0.24 -0.50 0.08 0.00 0.56 0.00 0.00 36.38 36.29 3h94 s VAL 144 CO 0.27 -0.58 0.14 -1.10 -0.31 0.00 0.00 175.10 173.52 3h94 s GLN 145 N -1.90 0.14 0.00 4.82 -0.21 -1.26 0.12 119.66 121.36 3h94 s GLN 145 Ca -0.12 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.12 3h94 s GLN 145 Cb -0.07 -1.44 0.00 0.00 1.00 0.00 0.00 33.01 32.50 3h94 s GLN 145 CO -0.03 -0.79 0.00 1.17 -2.12 0.00 0.00 175.29 173.53 3h94 n LYS 146 N 5.28 -0.03 -0.83 2.91 4.81 -0.98 -3.32 118.16 126.00 3h94 n LYS 146 Ca -0.06 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 3h94 n LYS 146 Cb 0.47 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.79 3h94 n LYS 146 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h94 n GLY 147 N -2.15 0.49 0.03 3.14 0.00 0.81 -4.00 105.19 103.52 3h94 n GLY 147 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 46.02 45.15 3h94 n GLY 147 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h94 n THR 148 N -2.83 0.74 0.00 2.61 -2.24 -1.21 -0.73 114.28 110.62 3h94 n THR 148 Ca 0.00 0.55 0.00 0.00 -2.27 0.00 0.00 64.05 62.33 3h94 n THR 148 Cb 0.00 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 66.68 3h94 n THR 148 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3h94 n PRO 149 N -1.35 0.00 0.00 -0.78 -0.04 -1.26 -4.87 135.00 126.70 3h94 n PRO 149 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3h94 n PRO 149 Cb 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 3h94 n PRO 149 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3h94 n LEU 150 N -0.55 0.00 0.00 1.53 4.32 -1.25 -3.47 117.00 117.58 3h94 n LEU 150 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3h94 n LEU 150 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3h94 n LEU 150 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 3h94 n LEU 151 N 0.00 0.00 -3.83 2.23 -0.00 -1.22 -4.20 117.00 109.99 3h94 n LEU 151 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 3h94 n LEU 151 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.27 3h94 n LEU 151 CO 0.00 0.00 -0.34 -1.81 -0.00 0.00 0.00 177.39 175.24 3h94 s ASP 152 N 0.00 0.02 -0.07 1.45 1.01 -0.99 0.71 116.67 118.79 3h94 s ASP 152 Ca 0.00 0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.35 3h94 s ASP 152 Cb 0.00 -0.01 -0.01 0.00 1.01 0.00 0.00 42.92 43.92 3h94 s ASP 152 CO 0.00 -0.06 -0.24 -1.48 0.21 0.00 0.00 175.17 173.60 3h94 s LEU 153 N 0.46 2.05 -0.20 1.23 -0.00 -0.29 0.19 118.68 122.12 3h94 s LEU 153 Ca -0.04 -0.51 -0.07 0.00 -0.00 0.00 0.00 54.13 53.51 3h94 s LEU 153 Cb -0.05 -1.34 -0.04 0.00 -0.00 0.00 0.00 46.19 44.76 3h94 s LEU 153 CO -0.01 0.21 0.07 0.42 -0.00 0.00 0.00 176.35 177.03 3h94 s THR 154 N 0.03 4.70 -0.12 5.48 -4.23 -1.21 -3.02 115.64 117.28 3h94 s THR 154 Ca -0.09 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3h94 s THR 154 Cb -0.15 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.53 3h94 s THR 154 CO 0.05 0.43 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.83 3h94 s ILE 155 N 0.66 3.33 0.02 2.99 1.01 -1.14 -4.05 121.20 124.02 3h94 s ILE 155 Ca 0.03 -0.58 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 3h94 s ILE 155 Cb -0.13 -2.40 -0.18 0.00 0.01 0.00 0.00 42.46 39.77 3h94 s ILE 155 CO 0.02 0.54 1.41 -0.65 0.00 0.00 0.00 174.94 176.25 3h94 h PRO 156 N 6.30 -0.16 -0.89 2.79 0.11 -1.94 -3.30 132.00 134.90 3h94 h PRO 156 Ca -0.33 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3h94 h PRO 156 Cb 1.19 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3h94 h PRO 156 CO 0.56 0.12 0.49 -0.44 -0.21 0.00 0.00 178.00 178.53 3h94 h ASP 157 N -0.45 1.12 -0.80 -2.05 3.45 -1.98 -2.53 116.42 113.17 3h94 h ASP 157 Ca -0.02 -0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.31 3h94 h ASP 157 Cb 0.37 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 3h94 h ASP 157 CO 0.03 0.89 0.36 -0.50 -1.57 0.00 0.00 179.24 178.45 3h94 h TRP 158 N 1.25 1.17 -0.73 4.55 4.06 -1.97 -1.47 115.95 122.81 3h94 h TRP 158 Ca 0.31 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 61.16 3h94 h TRP 158 Cb 0.02 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 27.79 3h94 h TRP 158 CO 0.01 0.87 0.32 -0.39 -3.56 0.00 0.00 178.44 175.69 3h94 h VAL 159 N 1.14 1.25 -0.71 1.49 -1.51 -1.54 -0.05 116.25 116.31 3h94 h VAL 159 Ca 0.27 -0.74 -0.04 0.00 -1.23 0.00 0.00 66.70 64.97 3h94 h VAL 159 Cb 0.16 0.37 -0.03 0.00 -2.13 0.00 0.00 31.29 29.65 3h94 h VAL 159 CO -0.03 0.30 0.29 1.05 -1.23 0.00 0.00 177.57 177.95 3h94 h GLU 160 N 1.04 1.06 -0.74 5.19 -0.00 -1.08 -0.38 114.58 119.67 3h94 h GLU 160 Ca 0.25 -0.19 -0.04 0.00 -0.00 0.00 0.00 59.36 59.38 3h94 h GLU 160 Cb 0.17 -0.17 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 3h94 h GLU 160 CO -0.03 0.87 0.30 0.00 -0.00 0.00 0.00 179.01 180.15 3h94 h ALA 161 N 1.13 0.96 -0.75 1.06 0.00 -0.80 -1.38 119.26 119.49 3h94 h ALA 161 Ca 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h94 h ALA 161 Cb 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h94 h ALA 161 CO -0.02 0.58 0.31 1.96 0.00 0.00 0.00 179.25 182.08 3h94 h GLN 162 N 1.06 1.12 -0.71 0.00 4.20 -0.56 -0.93 115.11 119.29 3h94 h GLN 162 Ca 0.25 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3h94 h GLN 162 Cb 0.21 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3h94 h GLN 162 CO -0.02 0.91 0.30 0.66 -0.67 0.00 0.00 178.83 180.00 3h94 h SER 163 N 1.08 0.97 -0.75 1.46 4.64 -0.56 0.24 113.55 120.63 3h94 h SER 163 Ca 0.25 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 3h94 h SER 163 Cb 0.20 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.00 3h94 h SER 163 CO -0.02 0.87 0.31 1.05 -0.87 0.00 0.00 176.83 178.17 3h94 h GLU 164 N 1.01 1.11 -0.77 4.77 -0.00 -0.73 -0.76 114.58 119.20 3h94 h GLU 164 Ca 0.24 -0.19 -0.04 0.00 -0.00 0.00 0.00 59.36 59.37 3h94 h GLU 164 Cb 0.19 -0.18 -0.03 0.00 -0.00 0.00 0.00 28.75 28.73 3h94 h GLU 164 CO -0.02 0.90 0.33 -0.92 -0.00 0.00 0.00 179.01 179.30 3h94 h TYR 165 N 1.07 1.16 -0.77 2.06 5.03 -0.67 -1.25 116.97 123.60 3h94 h TYR 165 Ca 0.25 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 3h94 h TYR 165 Cb 0.19 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 3h94 h TYR 165 CO 0.02 0.87 0.31 -0.07 -1.32 0.00 0.00 178.16 177.97 3h94 h LEU 166 N 1.11 1.05 -0.76 2.82 3.38 -0.51 -0.76 115.31 121.64 3h94 h LEU 166 Ca 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3h94 h LEU 166 Cb 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3h94 h LEU 166 CO -0.03 0.93 0.31 0.17 0.09 0.00 0.00 178.44 179.92 3h94 h LEU 167 N 1.10 1.03 -0.78 1.67 8.10 -0.64 -0.65 115.31 125.15 3h94 h LEU 167 Ca 0.26 -0.17 -0.04 0.00 0.11 0.00 0.00 57.88 58.04 3h94 h LEU 167 Cb 0.20 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.12 3h94 h LEU 167 CO -0.02 0.91 0.34 -0.07 -4.11 0.00 0.00 178.44 175.49 3h94 h LEU 168 N 1.08 1.06 -0.75 0.17 4.07 -0.63 -1.68 115.31 118.63 3h94 h LEU 168 Ca 0.25 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 3h94 h LEU 168 Cb 0.19 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3h94 h LEU 168 CO -0.02 0.93 0.32 0.03 -1.08 0.00 0.00 178.44 178.62 3h94 h ARG 169 N 1.13 1.11 -0.47 1.13 3.08 -0.58 -3.14 114.38 116.64 3h94 h ARG 169 Ca 0.26 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3h94 h ARG 169 Cb 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3h94 h ARG 169 CO -0.03 0.90 0.10 1.49 -1.07 0.00 0.00 179.97 181.36 3h94 h GLU 170 N 1.08 0.76 0.00 0.04 4.57 -0.66 -3.41 114.58 116.95 3h94 h GLU 170 Ca 0.25 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3h94 h GLU 170 Cb 0.18 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3h94 h GLU 170 CO -0.02 0.76 0.00 0.25 -1.18 0.00 0.00 179.01 178.81 3h94 n THR 171 N -4.47 0.00 -4.64 0.32 -2.24 -0.67 -5.02 114.28 97.56 3h94 n THR 171 Ca 0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 3h94 n THR 171 Cb 0.23 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 3h94 n THR 171 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3h94 s GLY 172 N 0.00 0.70 0.03 3.38 0.00 -1.24 -4.99 107.32 105.20 3h94 s GLY 172 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.08 3h94 s GLY 172 CO 0.00 -0.42 0.12 -0.32 0.00 0.00 0.00 173.10 172.48 3h94 s GLY 173 N -0.20 0.13 0.18 0.20 0.00 -1.24 -4.95 107.32 101.45 3h94 s GLY 173 Ca 0.03 -0.44 -0.33 0.00 0.00 0.00 0.00 44.72 43.98 3h94 s GLY 173 CO -0.00 -0.58 1.64 -1.30 0.00 0.00 0.00 173.10 172.86 3h94 n THR 174 N 0.89 0.00 -0.31 0.90 -2.24 -1.26 -4.74 114.28 107.52 3h94 n THR 174 Ca -0.20 -0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.53 3h94 n THR 174 Cb 0.58 -1.74 0.07 0.00 -2.10 0.00 0.00 70.33 67.15 3h94 n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h94 h ALA 175 N 6.29 1.07 -0.78 6.98 0.00 -1.99 -1.32 119.26 129.51 3h94 h ALA 175 Ca -0.44 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3h94 h ALA 175 Cb 1.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3h94 h ALA 175 CO 0.92 0.64 0.34 1.79 0.00 0.00 0.00 179.25 182.93 3h94 h THR 176 N 1.18 1.25 -0.75 0.00 1.35 -1.99 -0.74 112.91 113.22 3h94 h THR 176 Ca 0.29 -0.76 -0.04 0.00 -0.55 0.00 0.00 66.41 65.34 3h94 h THR 176 Cb 0.12 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 66.81 3h94 h THR 176 CO -0.04 0.32 0.30 -0.61 -0.25 0.00 0.00 175.52 175.24 3h94 h GLN 177 N 1.11 1.11 -0.76 4.72 5.75 -1.71 -0.22 115.11 125.10 3h94 h GLN 177 Ca 0.26 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.53 3h94 h GLN 177 Cb 0.18 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.51 3h94 h GLN 177 CO -0.03 0.90 0.33 0.00 -2.65 0.00 0.00 178.83 177.38 3h94 h THR 178 N 1.07 1.25 -0.78 2.39 1.03 -0.88 -1.05 112.91 115.95 3h94 h THR 178 Ca 0.25 -0.77 -0.04 0.00 -0.01 0.00 0.00 66.41 65.84 3h94 h THR 178 Cb 0.20 0.33 -0.03 0.00 -1.07 0.00 0.00 68.15 67.58 3h94 h THR 178 CO -0.02 0.32 0.33 -0.08 -0.01 0.00 0.00 175.52 176.06 3h94 h GLU 179 N 1.09 1.14 -0.76 0.00 4.57 -0.60 -0.74 114.58 119.28 3h94 h GLU 179 Ca 0.26 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.20 3h94 h GLU 179 Cb 0.18 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 3h94 h GLU 179 CO -0.02 0.92 0.32 0.78 -1.18 0.00 0.00 179.01 179.82 3h94 h GLY 180 N 1.11 1.22 1.03 1.92 0.00 -0.49 0.03 103.07 107.89 3h94 h GLY 180 Ca 0.26 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3h94 h GLY 180 CO -0.03 0.61 0.31 1.19 0.00 0.00 0.00 176.54 178.63 3h94 h ILE 181 N 1.10 1.25 -0.79 2.60 2.10 -0.69 -0.79 117.51 122.29 3h94 h ILE 181 Ca 0.26 -0.77 -0.04 0.00 1.08 0.00 0.00 64.86 65.38 3h94 h ILE 181 Cb 0.19 0.37 -0.04 0.00 -1.09 0.00 0.00 36.82 36.25 3h94 h ILE 181 CO -0.02 0.31 0.33 -0.07 -1.08 0.00 0.00 178.15 177.62 3h94 h LEU 182 N 1.07 1.08 -0.75 2.19 4.07 -0.64 -1.24 115.31 121.09 3h94 h LEU 182 Ca 0.25 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 58.01 3h94 h LEU 182 Cb 0.19 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3h94 h LEU 182 CO -0.02 0.94 0.32 -0.08 -1.08 0.00 0.00 178.44 178.52 3h94 h GLU 183 N 1.14 1.11 -0.74 1.13 4.22 -0.44 -0.12 114.58 120.87 3h94 h GLU 183 Ca 0.27 -0.19 -0.04 0.00 0.08 0.00 0.00 59.36 59.48 3h94 h GLU 183 Cb 0.19 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3h94 h GLU 183 CO -0.03 0.89 0.31 0.00 -2.18 0.00 0.00 179.01 178.01 3h94 h ARG 184 N 1.07 1.10 -0.77 1.92 3.08 -0.58 -0.29 114.38 119.91 3h94 h ARG 184 Ca 0.25 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3h94 h ARG 184 Cb 0.18 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3h94 h ARG 184 CO -0.03 0.89 0.33 1.25 -1.07 0.00 0.00 179.97 181.35 3h94 h LEU 185 N 1.07 1.04 -0.77 3.04 5.85 -0.69 -0.72 115.31 124.13 3h94 h LEU 185 Ca 0.25 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3h94 h LEU 185 Cb 0.19 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3h94 h LEU 185 CO -0.02 0.92 0.34 0.03 -0.34 0.00 0.00 178.44 179.36 3h94 h ARG 186 N 1.11 1.14 -0.81 1.25 3.08 -0.53 -2.30 114.38 117.32 3h94 h ARG 186 Ca 0.26 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3h94 h ARG 186 Cb 0.18 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3h94 h ARG 186 CO -0.03 0.90 0.34 1.37 -1.07 0.00 0.00 179.97 181.49 3h94 h LEU 187 N 1.11 1.10 -0.44 3.04 8.10 -0.57 -2.99 115.31 124.65 3h94 h LEU 187 Ca 0.26 -0.16 0.02 0.00 0.11 0.00 0.00 57.88 58.11 3h94 h LEU 187 Cb 0.17 -0.28 -0.03 0.00 -0.44 0.00 0.00 40.66 40.07 3h94 h LEU 187 CO -0.03 0.96 0.25 0.00 -4.11 0.00 0.00 178.44 175.52 3h94 h ALA 188 N 1.18 0.55 0.00 0.17 0.00 -0.60 -3.45 119.26 117.12 3h94 h ALA 188 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3h94 h ALA 188 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h94 h ALA 188 CO -0.03 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.56 3h94 n GLY 189 N -1.22 0.00 3.66 0.00 0.00 -1.10 -4.24 105.19 102.29 3h94 n GLY 189 Ca 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 3h94 n GLY 189 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h94 n MET 190 N 0.00 1.87 -2.11 1.61 2.81 -0.98 -4.87 117.12 115.45 3h94 n MET 190 Ca 0.00 0.67 -0.41 0.00 -1.81 0.00 0.00 57.70 56.15 3h94 n MET 190 Cb 0.00 -2.27 -0.02 0.00 -0.71 0.00 0.00 33.22 30.22 3h94 n MET 190 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3h94 s PRO 191 N -0.65 4.31 0.22 0.03 0.02 -1.26 -4.76 135.00 132.90 3h94 s PRO 191 Ca 0.67 2.21 -0.08 0.00 0.02 0.00 0.00 61.00 63.82 3h94 s PRO 191 Cb -0.67 -3.03 0.17 0.00 0.02 0.00 0.00 34.50 30.99 3h94 s PRO 191 CO 0.52 -0.22 1.80 0.93 -0.33 0.00 0.00 177.00 179.70 3h94 h GLU 192 N 3.29 1.21 -0.79 5.54 4.39 -1.95 -0.88 114.58 125.40 3h94 h GLU 192 Ca -0.49 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 58.98 3h94 h GLU 192 Cb 1.23 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 3h94 h GLU 192 CO 0.65 0.95 0.36 0.00 -1.16 0.00 0.00 179.01 179.80 3h94 h ALA 193 N 1.20 1.02 -0.75 3.43 0.00 -1.99 -0.92 119.26 121.25 3h94 h ALA 193 Ca 0.28 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h94 h ALA 193 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3h94 h ALA 193 CO -0.03 0.60 0.31 -0.44 0.00 0.00 0.00 179.25 179.69 3h94 h ASP 194 N 1.12 1.02 -0.75 0.00 3.32 -1.75 -0.47 116.42 118.91 3h94 h ASP 194 Ca 0.27 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3h94 h ASP 194 Cb 0.15 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3h94 h ASP 194 CO -0.03 0.90 0.32 0.40 -1.72 0.00 0.00 179.24 179.11 3h94 h ILE 195 N 1.07 1.25 -0.76 0.35 2.04 -0.62 -0.26 117.51 120.57 3h94 h ILE 195 Ca 0.25 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 3h94 h ILE 195 Cb 0.19 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3h94 h ILE 195 CO -0.02 0.32 0.33 0.03 0.00 0.00 0.00 178.15 178.80 3h94 h ARG 196 N 1.08 1.13 -0.75 2.37 3.08 -0.70 -1.23 114.38 119.36 3h94 h ARG 196 Ca 0.25 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3h94 h ARG 196 Cb 0.19 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3h94 h ARG 196 CO -0.02 0.91 0.32 -0.09 -1.07 0.00 0.00 179.97 180.01 3h94 h ARG 197 N 1.10 1.10 -0.70 0.04 2.43 -0.57 -0.84 114.38 116.94 3h94 h ARG 197 Ca 0.26 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3h94 h ARG 197 Cb 0.18 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3h94 h ARG 197 CO -0.02 0.89 0.29 1.25 -1.51 0.00 0.00 179.97 180.86 3h94 h LEU 198 N 1.07 0.96 -0.75 3.80 5.85 -0.53 -0.50 115.31 125.21 3h94 h LEU 198 Ca 0.25 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3h94 h LEU 198 Cb 0.18 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3h94 h LEU 198 CO -0.02 0.87 0.33 0.40 -0.34 0.00 0.00 178.44 179.67 3h94 h ILE 199 N 1.00 1.25 -0.76 4.05 2.04 -0.71 0.44 117.51 124.81 3h94 h ILE 199 Ca 0.24 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3h94 h ILE 199 Cb 0.20 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3h94 h ILE 199 CO -0.02 0.31 0.32 0.00 0.00 0.00 0.00 178.15 178.75 3h94 h ALA 200 N 1.16 0.99 -0.47 1.87 0.00 -0.67 -3.23 119.26 118.91 3h94 h ALA 200 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h94 h ALA 200 Cb 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h94 h ALA 200 CO -0.03 0.60 0.00 0.25 0.00 0.00 0.00 179.25 180.08 3h94 n THR 201 N -4.33 1.42 -2.91 0.00 -2.24 -0.24 -4.94 114.28 101.04 3h94 n THR 201 Ca 0.07 -1.19 -0.18 0.00 -2.27 0.00 0.00 64.05 60.47 3h94 n THR 201 Cb 0.17 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.65 3h94 n THR 201 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3h94 n GLN 202 N 0.69 -0.89 -4.47 -0.78 7.27 0.15 -4.76 117.38 114.60 3h94 n GLN 202 Ca 0.19 0.06 -0.34 0.00 0.07 0.00 0.00 57.00 56.98 3h94 n GLN 202 Cb 0.65 -2.00 -0.14 0.00 2.41 0.00 0.00 30.24 31.16 3h94 n GLN 202 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3h94 s LYS 203 N -3.94 3.46 0.22 3.69 -0.14 -1.23 -5.03 119.74 116.78 3h94 s LYS 203 Ca 0.31 -0.62 -0.32 0.00 -1.36 0.00 0.00 55.97 53.98 3h94 s LYS 203 Cb -0.18 -2.80 -0.14 0.00 -1.68 0.00 0.00 37.83 33.03 3h94 s LYS 203 CO 0.45 0.12 1.32 -0.89 -0.76 0.00 0.00 175.35 175.59 3h94 n ILE 204 N 3.82 0.94 -3.10 2.17 2.08 -1.26 -4.74 119.36 119.27 3h94 n ILE 204 Ca -0.18 -0.23 -0.39 0.00 0.56 0.00 0.00 62.75 62.50 3h94 n ILE 204 Cb 0.52 -1.25 -0.05 0.00 -0.75 0.00 0.00 39.64 38.11 3h94 n ILE 204 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 3h94 s GLN 205 N -0.40 4.38 0.00 0.38 -1.52 -1.26 -4.92 119.66 116.32 3h94 s GLN 205 Ca 0.70 0.77 0.00 0.00 -1.95 0.00 0.00 55.36 54.88 3h94 s GLN 205 Cb -0.72 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 28.60 3h94 s GLN 205 CO 0.51 0.02 0.00 -2.37 -0.25 0.00 0.00 175.29 173.20 3h94 n THR 206 N 3.93 0.00 -4.33 -0.19 5.66 -1.26 -4.53 114.28 113.56 3h94 n THR 206 Ca -0.02 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.70 3h94 n THR 206 Cb 0.51 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.12 3h94 n THR 206 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3h94 s ARG 207 N -0.99 2.15 -0.03 1.09 3.52 -1.26 -2.90 118.95 120.52 3h94 s ARG 207 Ca 0.00 -0.53 0.06 0.00 -0.13 0.00 0.00 55.73 55.13 3h94 s ARG 207 Cb 0.00 -1.88 -0.01 0.00 -1.56 0.00 0.00 34.95 31.50 3h94 s ARG 207 CO 0.00 -0.11 -0.20 -0.06 -0.81 0.00 0.00 175.30 174.12 3h94 s PHE 208 N 1.12 1.92 -0.21 5.12 0.40 -1.17 -5.03 117.98 120.13 3h94 s PHE 208 Ca -0.04 -0.48 -0.07 0.00 -0.60 0.00 0.00 56.93 55.75 3h94 s PHE 208 Cb -0.14 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 3h94 s PHE 208 CO -0.04 -0.12 0.04 0.95 0.70 0.00 0.00 175.22 176.76 3h94 s THR 209 N -0.22 4.34 -0.08 0.64 -4.23 -1.26 -1.14 115.64 113.68 3h94 s THR 209 Ca 0.01 -0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 60.25 3h94 s THR 209 Cb -0.10 -2.98 -0.05 0.00 1.34 0.00 0.00 72.50 70.71 3h94 s THR 209 CO 0.01 0.40 0.23 -1.48 -0.54 0.00 0.00 174.62 173.24 3h94 s LEU 210 N 1.03 4.42 -0.13 4.79 0.05 0.22 -4.92 118.68 124.14 3h94 s LEU 210 Ca 0.03 0.63 -0.04 0.00 0.05 0.00 0.00 54.13 54.80 3h94 s LEU 210 Cb -0.14 -2.24 -0.03 0.00 -2.05 0.00 0.00 46.19 41.73 3h94 s LEU 210 CO 0.03 0.38 0.01 -0.54 -0.55 0.00 0.00 176.35 175.68 3h94 s LYS 211 N -1.03 3.43 0.20 1.48 1.02 -1.23 -3.42 119.74 120.20 3h94 s LYS 211 Ca 0.18 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 55.46 3h94 s LYS 211 Cb -0.14 -2.95 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 3h94 s LYS 211 CO 0.07 0.49 1.26 0.00 -0.92 0.00 0.00 175.35 176.24 3h94 s ALA 212 N -0.27 3.48 0.16 5.17 0.00 0.09 -4.73 121.76 125.67 3h94 s ALA 212 Ca 0.06 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 3h94 s ALA 212 Cb -0.12 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3h94 s ALA 212 CO 0.02 -0.46 1.78 -1.00 0.00 0.00 0.00 175.76 176.09 3h94 h PRO 213 N 5.14 0.39 -6.26 0.00 0.14 -1.91 2.42 132.00 131.91 3h94 h PRO 213 Ca -0.45 -0.02 -0.46 0.00 0.14 0.00 0.00 66.00 65.21 3h94 h PRO 213 Cb 1.21 -0.09 -0.01 0.00 0.14 0.00 0.00 31.00 32.26 3h94 h PRO 213 CO 0.75 0.26 -0.38 0.96 0.14 0.00 0.00 178.00 179.73 3h94 s ILE 214 N -6.15 5.16 0.01 -3.56 -4.36 -1.26 -4.30 121.20 106.74 3h94 s ILE 214 Ca -0.13 -0.89 -0.29 0.00 -0.26 0.00 0.00 60.65 59.08 3h94 s ILE 214 Cb 0.12 -3.83 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 3h94 s ILE 214 CO 0.72 -0.36 0.94 -1.81 0.24 0.00 0.00 174.94 174.67 3h94 s ASP 215 N -4.00 7.35 0.00 4.36 -0.00 -1.26 -2.32 116.67 120.79 3h94 s ASP 215 Ca 0.36 1.63 0.00 0.00 -0.00 0.00 0.00 52.55 54.53 3h94 s ASP 215 Cb -0.09 -2.55 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 3h94 s ASP 215 CO 0.30 -0.20 0.00 0.61 -0.00 0.00 0.00 175.17 175.88 3h94 n GLY 216 N 2.79 0.97 3.41 0.21 0.00 0.32 -4.82 105.19 108.06 3h94 n GLY 216 Ca 0.04 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 3h94 n GLY 216 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h94 s VAL 217 N -2.24 2.01 -0.19 1.61 1.01 0.91 0.54 120.40 124.05 3h94 s VAL 217 Ca 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 61.98 59.66 3h94 s VAL 217 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3h94 s VAL 217 CO 0.00 -0.46 0.00 -0.63 0.00 0.00 0.00 175.10 174.01 3h94 s ILE 218 N -2.80 4.10 -0.06 2.22 1.09 -1.21 0.27 121.20 124.81 3h94 s ILE 218 Ca 0.27 -0.27 -0.23 0.00 -1.10 0.00 0.00 60.65 59.31 3h94 s ILE 218 Cb -0.01 -2.84 -0.29 0.00 -1.06 0.00 0.00 42.46 38.25 3h94 s ILE 218 CO 0.11 0.45 0.89 0.71 -0.10 0.00 0.00 174.94 177.00 3h94 h THR 219 N 5.23 1.57 -3.31 2.92 1.35 -1.64 -3.41 112.91 115.62 3h94 h THR 219 Ca -0.35 -2.43 -0.60 0.00 -0.55 0.00 0.00 66.41 62.48 3h94 h THR 219 Cb 1.18 3.18 -0.34 0.00 -1.73 0.00 0.00 68.15 70.44 3h94 h THR 219 CO 0.63 0.68 -0.84 0.00 -0.25 0.00 0.00 175.52 175.73 3h94 s ALA 220 N -2.48 1.75 -0.46 6.62 0.00 -1.25 -4.97 121.76 120.97 3h94 s ALA 220 Ca -0.15 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.14 3h94 s ALA 220 Cb 0.00 -0.78 0.28 0.00 0.00 0.00 0.00 23.12 22.62 3h94 s ALA 220 CO 0.80 0.05 0.92 0.34 0.00 0.00 0.00 175.76 177.87 3h94 n PHE 221 N 3.95 -2.49 0.02 0.00 -0.00 -1.26 -3.72 117.46 113.97 3h94 n PHE 221 Ca -0.20 -2.30 0.00 0.00 -0.00 0.00 0.00 57.45 54.95 3h94 n PHE 221 Cb 0.52 1.19 -0.00 0.00 -0.00 0.00 0.00 39.48 41.18 3h94 n PHE 221 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3h94 n ASP 222 N 0.98 0.13 -4.78 -2.13 4.64 -1.26 -3.93 116.55 110.20 3h94 n ASP 222 Ca 0.11 -0.56 -0.34 0.00 -1.38 0.00 0.00 54.79 52.61 3h94 n ASP 222 Cb 0.65 0.90 0.01 0.00 -1.04 0.00 0.00 41.12 41.63 3h94 n ASP 222 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3h94 s LEU 223 N -1.82 3.66 0.00 -2.67 1.02 -1.26 -5.04 118.68 112.57 3h94 s LEU 223 Ca 0.00 2.05 -0.11 0.00 0.02 0.00 0.00 54.13 56.09 3h94 s LEU 223 Cb 0.00 -4.56 0.04 0.00 0.02 0.00 0.00 46.19 41.69 3h94 s LEU 223 CO 0.02 -1.22 0.58 -2.11 0.02 0.00 0.00 176.35 173.64 3h94 n ARG 224 N -1.56 0.77 -3.55 1.70 0.00 -1.26 -5.05 116.66 107.70 3h94 n ARG 224 Ca 0.11 -1.52 -0.21 0.00 -0.00 0.00 0.00 57.85 56.23 3h94 n ARG 224 Cb 0.52 1.91 0.05 0.00 -0.00 0.00 0.00 32.46 34.94 3h94 n ARG 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h94 n ALA 225 N -1.29 -2.22 -3.45 2.89 0.00 -1.26 -4.44 120.51 110.74 3h94 n ALA 225 Ca -0.12 -0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 3h94 n ALA 225 Cb 0.42 -3.32 0.04 0.00 0.00 0.00 0.00 19.45 16.59 3h94 n ALA 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h94 n GLY 226 N -1.44 -1.12 3.65 0.00 0.00 -0.28 -4.91 105.19 101.09 3h94 n GLY 226 Ca -0.21 0.51 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 3h94 n GLY 226 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h94 s MET 227 N -4.89 2.32 0.37 1.61 1.00 -1.26 -4.52 119.30 113.93 3h94 s MET 227 Ca 0.36 -1.34 -0.27 0.00 0.00 0.00 0.00 55.69 54.44 3h94 s MET 227 Cb -0.09 -2.21 -0.09 0.00 0.00 0.00 0.00 34.83 32.43 3h94 s MET 227 CO 0.81 0.39 1.21 -0.80 0.00 0.00 0.00 175.02 176.63 3h94 s ASN 228 N -3.51 6.66 0.12 3.03 -0.87 -1.26 -2.05 114.94 117.07 3h94 s ASN 228 Ca 0.30 2.47 0.06 0.00 -1.57 0.00 0.00 52.86 54.12 3h94 s ASN 228 Cb -0.07 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.49 3h94 s ASN 228 CO 0.20 -0.59 -0.13 -0.63 -2.57 0.00 0.00 177.10 173.37 3h94 s ILE 229 N -1.28 1.28 0.17 0.60 1.09 0.64 -4.91 121.20 118.79 3h94 s ILE 229 Ca 0.53 -1.73 -0.04 0.00 -1.10 0.00 0.00 60.65 58.31 3h94 s ILE 229 Cb -0.34 -1.54 -0.03 0.00 -1.06 0.00 0.00 42.46 39.49 3h94 s ILE 229 CO 0.44 -0.45 0.16 0.00 -0.10 0.00 0.00 174.94 174.99 3h94 s ALA 230 N -2.25 0.70 0.00 9.38 0.00 -1.26 -1.82 121.76 126.52 3h94 s ALA 230 Ca 0.09 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.67 3h94 s ALA 230 Cb -0.04 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3h94 s ALA 230 CO 0.03 -0.58 0.00 0.36 0.00 0.00 0.00 175.76 175.56 3h94 n LYS 231 N -0.20 0.00 -3.81 0.00 2.85 -1.23 -1.47 118.16 114.30 3h94 n LYS 231 Ca -0.03 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.95 3h94 n LYS 231 Cb 0.64 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.86 3h94 n LYS 231 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3h94 s ASP 232 N -3.44 2.95 0.12 -5.58 1.11 -1.21 -2.24 116.67 108.38 3h94 s ASP 232 Ca 0.00 -0.79 0.07 0.00 0.18 0.00 0.00 52.55 52.02 3h94 s ASP 232 Cb 0.00 -0.76 -0.04 0.00 1.07 0.00 0.00 42.92 43.19 3h94 s ASP 232 CO 0.00 -0.26 -0.10 0.20 1.18 0.00 0.00 175.17 176.19 3h94 s ASN 233 N 1.73 4.36 0.09 0.27 -0.87 -0.54 -4.77 114.94 115.21 3h94 s ASN 233 Ca -0.01 -0.42 -0.31 0.00 -1.57 0.00 0.00 52.86 50.55 3h94 s ASN 233 Cb -0.17 -0.81 -0.07 0.00 -0.02 0.00 0.00 41.25 40.19 3h94 s ASN 233 CO -0.07 0.16 1.33 0.54 -2.57 0.00 0.00 177.10 176.49 3h94 s VAL 234 N -1.29 3.59 -2.59 1.60 0.11 -1.26 -1.51 120.40 119.04 3h94 s VAL 234 Ca 0.22 1.13 0.26 0.00 -2.93 0.00 0.00 61.98 60.65 3h94 s VAL 234 Cb -0.11 -3.72 0.32 0.00 -1.53 0.00 0.00 36.38 31.34 3h94 s VAL 234 CO 0.14 0.08 1.47 0.52 -3.33 0.00 0.00 175.10 173.97 3h94 n VAL 235 N 4.01 0.00 0.00 2.04 0.31 0.37 -4.92 118.33 120.14 3h94 n VAL 235 Ca 0.11 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3h94 n VAL 235 Cb 0.44 0.97 0.00 0.00 -0.91 0.00 0.00 33.84 34.34 3h94 n VAL 235 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h94 n ALA 236 N 0.56 0.00 -2.16 3.52 0.00 -1.05 -4.88 120.51 116.50 3h94 n ALA 236 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 3h94 n ALA 236 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 3h94 n ALA 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h94 s LYS 237 N 0.00 0.76 -0.07 0.00 -2.85 -1.24 -0.59 119.74 115.74 3h94 s LYS 237 Ca 0.00 -1.29 0.04 0.00 -1.00 0.00 0.00 55.97 53.73 3h94 s LYS 237 Cb 0.00 -0.07 -0.02 0.00 -2.06 0.00 0.00 37.83 35.68 3h94 s LYS 237 CO 0.00 -0.05 -0.20 0.42 0.10 0.00 0.00 175.35 175.62 3h94 s ILE 238 N -3.67 2.48 0.16 3.79 1.01 0.47 -1.96 121.20 123.47 3h94 s ILE 238 Ca 0.10 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3h94 s ILE 238 Cb 0.06 -1.95 -0.06 0.00 0.01 0.00 0.00 42.46 40.52 3h94 s ILE 238 CO -0.06 0.57 0.48 -1.10 0.00 0.00 0.00 174.94 174.82 3h94 s GLN 239 N -0.22 3.79 0.29 2.79 -1.52 0.77 -0.52 119.66 125.04 3h94 s GLN 239 Ca -0.01 0.22 0.11 0.00 -1.95 0.00 0.00 55.36 53.73 3h94 s GLN 239 Cb -0.13 -2.84 -0.05 0.00 -0.22 0.00 0.00 33.01 29.77 3h94 s GLN 239 CO 0.03 0.44 -0.18 0.20 -0.25 0.00 0.00 175.29 175.54 3h94 s GLY 240 N -2.08 1.94 -0.02 3.09 0.00 -1.21 -0.06 107.32 108.98 3h94 s GLY 240 Ca 0.40 -1.91 0.02 0.00 0.00 0.00 0.00 44.72 43.23 3h94 s GLY 240 CO 0.21 -1.98 0.94 1.03 0.00 0.00 0.00 173.10 173.30 3h94 n MET 241 N -0.65 2.22 -0.14 2.90 2.81 -1.26 -4.77 117.12 118.23 3h94 n MET 241 Ca -0.05 -1.47 -0.09 0.00 -1.81 0.00 0.00 57.70 54.28 3h94 n MET 241 Cb 0.61 -0.97 -0.01 0.00 -0.71 0.00 0.00 33.22 32.14 3h94 n MET 241 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 3h94 h ASP 242 N 0.00 0.57 -1.94 7.83 1.82 -1.95 -3.40 116.42 119.36 3h94 h ASP 242 Ca 0.00 -0.18 -0.44 0.00 -0.39 0.00 0.00 57.03 56.02 3h94 h ASP 242 Cb 0.67 -0.15 0.01 0.00 0.68 0.00 0.00 39.33 40.54 3h94 h ASP 242 CO 0.00 0.60 -0.28 -2.84 -1.61 0.00 0.00 179.24 175.11 3h94 s PRO 243 N -5.51 3.05 0.07 0.28 0.02 -1.26 -1.65 135.00 130.01 3h94 s PRO 243 Ca -0.13 -0.95 -0.00 0.00 0.02 0.00 0.00 61.00 59.94 3h94 s PRO 243 Cb 0.10 -2.76 -0.04 0.00 0.02 0.00 0.00 34.50 31.82 3h94 s PRO 243 CO 0.76 -0.06 -0.03 0.08 -0.33 0.00 0.00 177.00 177.42 3h94 s VAL 244 N -2.28 0.33 -0.07 3.83 1.01 -1.06 -4.65 120.40 117.52 3h94 s VAL 244 Ca 0.47 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.60 3h94 s VAL 244 Cb -0.10 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3h94 s VAL 244 CO 0.33 -0.90 -0.06 0.26 0.00 0.00 0.00 175.10 174.73 3h94 s TRP 245 N -3.86 1.04 -0.19 5.22 0.52 0.93 0.04 118.94 122.65 3h94 s TRP 245 Ca 0.10 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.81 3h94 s TRP 245 Cb 0.07 -0.89 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 3h94 s TRP 245 CO -0.07 -0.30 -0.07 0.14 0.02 0.00 0.00 176.95 176.67 3h94 s VAL 246 N 1.20 3.32 -0.14 4.03 -7.23 0.11 0.05 120.40 121.75 3h94 s VAL 246 Ca -0.06 -0.53 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 3h94 s VAL 246 Cb -0.14 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3h94 s VAL 246 CO -0.02 0.46 0.05 -0.89 -0.31 0.00 0.00 175.10 174.40 3h94 s THR 247 N 1.07 4.74 0.12 5.32 2.01 0.49 -2.57 115.64 126.81 3h94 s THR 247 Ca 0.01 -0.06 0.08 0.00 0.31 0.00 0.00 61.69 62.02 3h94 s THR 247 Cb -0.15 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3h94 s THR 247 CO -0.01 0.53 -0.20 0.00 -0.69 0.00 0.00 174.62 174.25 3h94 s ALA 248 N -0.21 1.85 -0.12 7.40 0.00 -1.10 -0.92 121.76 128.65 3h94 s ALA 248 Ca 0.07 -1.30 -0.00 0.00 0.00 0.00 0.00 51.96 50.73 3h94 s ALA 248 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3h94 s ALA 248 CO 0.01 0.33 -0.11 0.00 0.00 0.00 0.00 175.76 175.99 3h94 s ALA 249 N -1.39 2.72 0.23 0.00 0.00 -1.26 -0.55 121.76 121.51 3h94 s ALA 249 Ca 0.09 -0.88 0.11 0.00 0.00 0.00 0.00 51.96 51.27 3h94 s ALA 249 Cb -0.09 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 3h94 s ALA 249 CO 0.05 0.29 -0.21 0.42 0.00 0.00 0.00 175.76 176.31 3h94 s ILE 250 N 0.17 2.31 0.66 0.00 -1.09 -0.76 -4.92 121.20 117.57 3h94 s ILE 250 Ca -0.06 -2.21 -0.12 0.00 -2.23 0.00 0.00 60.65 56.03 3h94 s ILE 250 Cb -0.15 -2.17 -0.01 0.00 -1.58 0.00 0.00 42.46 38.55 3h94 s ILE 250 CO 0.04 -0.30 1.05 -2.84 -1.23 0.00 0.00 174.94 171.67 3h94 s PRO 251 N -3.14 3.11 0.13 2.79 0.02 -1.26 0.24 135.00 136.88 3h94 s PRO 251 Ca 0.25 1.01 -0.18 0.00 0.02 0.00 0.00 61.00 62.10 3h94 s PRO 251 Cb -0.06 -2.01 -0.03 0.00 0.02 0.00 0.00 34.50 32.42 3h94 s PRO 251 CO 0.12 -0.97 1.73 1.05 -0.33 0.00 0.00 177.00 178.60 3h94 h GLU 252 N -0.33 0.45 -0.58 5.54 4.11 -1.91 -0.10 114.58 121.76 3h94 h GLU 252 Ca -0.45 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 58.89 3h94 h GLU 252 Cb 1.21 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3h94 h GLU 252 CO 0.57 0.38 0.22 0.66 0.07 0.00 0.00 179.01 180.92 3h94 h SER 253 N 0.39 0.82 -0.77 3.06 4.64 -1.92 -0.47 113.55 119.29 3h94 h SER 253 Ca 0.11 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 3h94 h SER 253 Cb 0.07 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 3h94 h SER 253 CO -0.02 0.78 0.30 -0.29 -0.87 0.00 0.00 176.83 176.73 3h94 h ILE 254 N 0.81 1.26 -0.73 0.95 2.10 -1.92 -1.72 117.51 118.26 3h94 h ILE 254 Ca 0.19 -0.83 -0.04 0.00 1.08 0.00 0.00 64.86 65.26 3h94 h ILE 254 Cb 0.23 0.34 -0.03 0.00 -1.09 0.00 0.00 36.82 36.26 3h94 h ILE 254 CO -0.01 0.34 0.29 0.00 -1.08 0.00 0.00 178.15 177.69 3h94 h ALA 255 N 1.18 0.95 -0.77 0.18 0.00 -0.48 -2.18 119.26 118.14 3h94 h ALA 255 Ca 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h94 h ALA 255 Cb 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3h94 h ALA 255 CO -0.02 0.56 0.37 0.11 0.00 0.00 0.00 179.25 180.27 3h94 h TRP 256 N 1.04 1.10 -0.09 0.00 -0.00 -0.58 -0.61 115.95 116.80 3h94 h TRP 256 Ca 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 59.09 3h94 h TRP 256 Cb 0.21 -0.34 -0.00 0.00 -0.00 0.00 0.00 29.16 29.02 3h94 h TRP 256 CO 0.02 0.79 0.06 -0.07 -0.00 0.00 0.00 178.44 179.24 3h94 h LEU 257 N 1.09 0.09 0.00 0.11 -0.00 -0.71 -3.41 115.31 112.49 3h94 h LEU 257 Ca 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 3h94 h LEU 257 Cb 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 3h94 h LEU 257 CO -0.03 0.06 0.00 0.52 -0.00 0.00 0.00 178.44 178.99 3h94 n VAL 258 N -4.53 0.00 -1.42 1.22 0.31 -0.24 -4.95 118.33 108.73 3h94 n VAL 258 Ca -0.02 0.04 0.15 0.00 -0.01 0.00 0.00 64.34 64.51 3h94 n VAL 258 Cb 0.09 -0.17 -0.09 0.00 -0.91 0.00 0.00 33.84 32.77 3h94 n VAL 258 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3h94 n LYS 259 N 0.00 -3.34 -0.10 5.55 5.02 -1.26 -4.96 118.16 119.08 3h94 n LYS 259 Ca 0.00 2.72 0.00 0.00 -2.02 0.00 0.00 58.31 59.01 3h94 n LYS 259 Cb 0.00 -3.82 0.00 0.00 -0.02 0.00 0.00 35.03 31.19 3h94 n LYS 259 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3h94 n ASP 260 N -4.12 0.00 0.23 4.39 2.03 -1.26 -4.86 116.55 112.96 3h94 n ASP 260 Ca -0.09 0.03 0.06 0.00 0.52 0.00 0.00 54.79 55.32 3h94 n ASP 260 Cb 0.65 -0.12 0.52 0.00 -0.72 0.00 0.00 41.12 41.45 3h94 n ASP 260 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h94 h ALA 261 N 0.11 1.56 -0.90 -1.67 0.00 -1.98 -3.22 119.26 113.16 3h94 h ALA 261 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h94 h ALA 261 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3h94 h ALA 261 CO 0.00 0.25 0.59 0.66 0.00 0.00 0.00 179.25 180.75 3h94 h SER 262 N 0.00 1.02 -0.03 0.00 4.64 -2.00 -2.55 113.55 114.63 3h94 h SER 262 Ca -0.00 -0.03 -0.55 0.00 -0.47 0.00 0.00 61.79 60.74 3h94 h SER 262 Cb 0.38 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3h94 h SER 262 CO 0.03 0.74 2.75 0.00 -0.87 0.00 0.00 176.83 179.48 3h94 n GLN 263 N -4.40 3.29 -3.68 4.77 10.64 -1.22 -4.63 117.38 122.15 3h94 n GLN 263 Ca 0.10 -1.93 -0.14 0.00 -1.83 0.00 0.00 57.00 53.21 3h94 n GLN 263 Cb 0.03 -2.59 -0.14 0.00 -0.86 0.00 0.00 30.24 26.68 3h94 n GLN 263 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3h94 s PHE 264 N 1.79 -0.35 -0.09 2.61 2.99 -0.96 -1.81 117.98 122.16 3h94 s PHE 264 Ca 0.69 0.84 0.01 0.00 0.00 0.00 0.00 56.93 58.48 3h94 s PHE 264 Cb 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 43.02 43.19 3h94 s PHE 264 CO -0.05 -0.30 -0.12 0.99 -0.00 0.00 0.00 175.22 175.74 3h94 s THR 265 N 2.07 1.18 -0.10 0.64 2.01 0.11 -4.98 115.64 116.58 3h94 s THR 265 Ca -0.01 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.54 3h94 s THR 265 Cb -0.12 -1.11 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 3h94 s THR 265 CO -0.08 0.38 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.85 3h94 s LEU 266 N 1.00 2.62 0.07 4.42 1.98 -1.26 -0.02 118.68 127.49 3h94 s LEU 266 Ca -0.08 -0.32 -0.04 0.00 -2.89 0.00 0.00 54.13 50.80 3h94 s LEU 266 Cb -0.15 -1.56 -0.02 0.00 0.66 0.00 0.00 46.19 45.12 3h94 s LEU 266 CO -0.01 0.23 0.07 0.28 -1.89 0.00 0.00 176.35 175.03 3h94 s THR 267 N -0.02 0.19 0.01 3.68 -1.32 -0.83 -4.63 115.64 112.72 3h94 s THR 267 Ca -0.04 -1.53 0.02 0.00 -1.21 0.00 0.00 61.69 58.93 3h94 s THR 267 Cb -0.14 -1.44 -0.01 0.00 -1.51 0.00 0.00 72.50 69.40 3h94 s THR 267 CO 0.04 -0.84 -0.06 0.68 -2.21 0.00 0.00 174.62 172.23 3h94 s VAL 268 N -3.89 0.46 0.01 5.08 -7.23 -1.26 -1.30 120.40 112.26 3h94 s VAL 268 Ca 0.06 -0.51 -0.25 0.00 -1.81 0.00 0.00 61.98 59.47 3h94 s VAL 268 Cb 0.07 -0.44 -0.14 0.00 0.56 0.00 0.00 36.38 36.43 3h94 s VAL 268 CO -0.10 -0.05 1.07 -0.65 -0.31 0.00 0.00 175.10 175.05 3h94 h PRO 269 N 5.50 -0.86 -6.88 4.82 0.11 -1.96 -3.34 132.00 129.39 3h94 h PRO 269 Ca -0.31 0.06 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 3h94 h PRO 269 Cb 1.20 0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3h94 h PRO 269 CO 0.47 -0.57 0.36 0.00 -0.21 0.00 0.00 178.00 178.05 3h94 s ALA 270 N -4.82 3.21 -1.36 -0.75 0.00 -1.26 -4.31 121.76 112.47 3h94 s ALA 270 Ca -0.13 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 3h94 s ALA 270 Cb 0.01 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.96 3h94 s ALA 270 CO 0.39 0.12 0.95 -2.13 0.00 0.00 0.00 175.76 175.09 3h94 n ARG 271 N 0.57 -6.11 -1.62 0.00 3.00 -1.26 -4.92 116.66 106.32 3h94 n ARG 271 Ca 0.02 0.70 -0.46 0.00 -0.00 0.00 0.00 57.85 58.11 3h94 n ARG 271 Cb 0.50 -5.56 -0.03 0.00 0.00 0.00 0.00 32.46 27.37 3h94 n ARG 271 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3h94 n PRO 272 N -4.53 1.59 -2.07 -0.14 -0.04 -1.25 -4.93 135.00 123.63 3h94 n PRO 272 Ca -0.13 0.56 -0.10 0.00 -0.04 0.00 0.00 63.50 63.79 3h94 n PRO 272 Cb 0.61 -2.12 0.03 0.00 -0.04 0.00 0.00 33.50 31.98 3h94 n PRO 272 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3h94 n ASP 273 N 1.95 1.15 -0.34 3.54 2.03 -1.26 -4.92 116.55 118.69 3h94 n ASP 273 Ca 0.13 -1.80 -0.03 0.00 0.52 0.00 0.00 54.79 53.61 3h94 n ASP 273 Cb 0.29 -0.20 0.09 0.00 -0.72 0.00 0.00 41.12 40.59 3h94 n ASP 273 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3h94 h LYS 274 N 0.00 1.22 0.00 -0.67 3.64 -2.03 -3.46 116.57 115.27 3h94 h LYS 274 Ca -0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3h94 h LYS 274 Cb 0.63 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3h94 h LYS 274 CO 0.20 0.81 0.00 0.25 -2.27 0.00 0.00 179.45 178.45 3h94 n THR 275 N -4.43 0.00 -4.64 1.00 -2.24 -1.26 -5.15 114.28 97.55 3h94 n THR 275 Ca 0.10 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 3h94 n THR 275 Cb 0.02 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.08 3h94 n THR 275 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3h94 s LEU 276 N 0.00 1.71 0.62 3.22 2.34 -1.26 -5.12 118.68 120.19 3h94 s LEU 276 Ca 0.00 -0.31 -0.13 0.00 0.06 0.00 0.00 54.13 53.75 3h94 s LEU 276 Cb 0.00 -0.86 -0.03 0.00 -0.56 0.00 0.00 46.19 44.74 3h94 s LEU 276 CO 0.00 0.06 1.03 0.42 -1.06 0.00 0.00 176.35 176.80 3h94 s THR 277 N 0.54 4.38 -0.16 5.48 -4.23 -1.26 -4.76 115.64 115.61 3h94 s THR 277 Ca -0.13 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 3h94 s THR 277 Cb -0.15 -3.65 0.01 0.00 1.34 0.00 0.00 72.50 70.05 3h94 s THR 277 CO 0.04 -0.91 -0.19 -0.63 -0.54 0.00 0.00 174.62 172.40 3h94 s ILE 278 N -2.95 2.29 -0.18 2.99 1.09 -1.26 -3.25 121.20 119.93 3h94 s ILE 278 Ca 0.58 -0.88 0.14 0.00 -1.10 0.00 0.00 60.65 59.38 3h94 s ILE 278 Cb -0.12 -1.95 -0.24 0.00 -1.06 0.00 0.00 42.46 39.09 3h94 s ILE 278 CO 0.48 0.53 0.14 -2.11 -0.10 0.00 0.00 174.94 173.88 3h94 n ARG 279 N 4.29 0.68 -4.13 2.79 1.85 -0.18 -4.95 116.66 117.01 3h94 n ARG 279 Ca -0.20 0.07 -0.13 0.00 -1.00 0.00 0.00 57.85 56.60 3h94 n ARG 279 Cb 0.51 -1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 30.28 3h94 n ARG 279 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3h94 s LYS 280 N -2.51 1.52 -0.25 2.89 2.47 -1.20 -5.00 119.74 117.66 3h94 s LYS 280 Ca -0.13 -1.59 -0.26 0.00 -1.56 0.00 0.00 55.97 52.44 3h94 s LYS 280 Cb 0.07 0.37 0.07 0.00 -1.46 0.00 0.00 37.83 36.88 3h94 s LYS 280 CO 0.80 -0.58 0.73 1.67 0.16 0.00 0.00 175.35 178.12 3h94 s TRP 281 N -3.80 -0.76 -0.02 4.03 1.48 -1.26 -2.91 118.94 115.69 3h94 s TRP 281 Ca 0.32 1.81 -0.21 0.00 -1.06 0.00 0.00 56.10 56.97 3h94 s TRP 281 Cb 0.03 0.29 0.04 0.00 -1.16 0.00 0.00 33.47 32.67 3h94 s TRP 281 CO 0.15 -0.40 0.45 -0.08 -4.06 0.00 0.00 176.95 173.00 3h94 s THR 282 N 0.19 0.04 -0.22 0.66 -1.32 0.74 -4.99 115.64 110.74 3h94 s THR 282 Ca -0.01 -0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.11 3h94 s THR 282 Cb -0.04 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.16 3h94 s THR 282 CO 0.02 -0.17 0.02 -0.22 -2.21 0.00 0.00 174.62 172.06 3h94 s LEU 283 N -1.31 3.25 -0.78 9.08 0.20 -1.26 0.17 118.68 128.03 3h94 s LEU 283 Ca -0.12 -0.24 -0.18 0.00 0.69 0.00 0.00 54.13 54.27 3h94 s LEU 283 Cb -0.03 -1.84 0.14 0.00 -0.43 0.00 0.00 46.19 44.02 3h94 s LEU 283 CO 0.06 0.01 0.91 -0.76 -0.29 0.00 0.00 176.35 176.28 3h94 s LEU 284 N 1.32 5.46 0.22 -0.68 1.43 -0.11 -4.91 118.68 121.40 3h94 s LEU 284 Ca 0.04 -1.91 0.00 0.00 -1.03 0.00 0.00 54.13 51.23 3h94 s LEU 284 Cb -0.15 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3h94 s LEU 284 CO 0.01 -1.01 0.35 -2.65 0.23 0.00 0.00 176.35 173.28 3h94 n PRO 285 N 6.03 0.01 -1.56 1.29 -0.02 -1.26 -3.93 135.00 135.56 3h94 n PRO 285 Ca 0.09 0.31 -0.38 0.00 -2.02 0.00 0.00 63.50 61.51 3h94 n PRO 285 Cb 0.46 -0.91 -0.03 0.00 -0.02 0.00 0.00 33.50 33.00 3h94 n PRO 285 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h94 n GLY 286 N -0.82 0.37 3.58 -1.23 0.00 -1.26 -4.91 105.19 100.92 3h94 n GLY 286 Ca 0.00 0.70 -0.42 0.00 0.00 0.00 0.00 46.02 46.30 3h94 n GLY 286 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h94 s VAL 287 N 11.21 3.99 -0.74 1.61 -7.23 -1.26 -4.09 120.40 123.89 3h94 s VAL 287 Ca 1.00 0.86 -0.20 0.00 -1.81 0.00 0.00 61.98 61.84 3h94 s VAL 287 Cb -0.24 -4.74 -0.18 0.00 0.56 0.00 0.00 36.38 31.78 3h94 s VAL 287 CO 0.29 -1.39 1.78 0.47 -0.31 0.00 0.00 175.10 175.94 3h94 n ASP 288 N 8.53 0.39 0.09 4.85 8.00 0.18 -4.54 116.55 134.05 3h94 n ASP 288 Ca 0.08 -2.17 0.06 0.00 0.71 0.00 0.00 54.79 53.47 3h94 n ASP 288 Cb 0.49 -1.36 0.31 0.00 -0.02 0.00 0.00 41.12 40.54 3h94 n ASP 288 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h94 n ALA 289 N 15.28 1.01 -2.43 2.24 0.00 -1.26 -2.80 120.51 132.55 3h94 n ALA 289 Ca 0.30 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 3h94 n ALA 289 Cb 0.47 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 3h94 n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h94 s ALA 290 N -3.28 2.77 0.00 0.00 0.00 -1.26 -4.36 121.76 115.63 3h94 s ALA 290 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3h94 s ALA 290 Cb 0.03 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3h94 s ALA 290 CO 0.10 -3.05 0.00 2.41 0.00 0.00 0.00 175.76 175.22 3h94 n THR 291 N 6.75 0.00 -3.28 0.00 -1.04 -1.12 -4.51 114.28 111.08 3h94 n THR 291 Ca 0.10 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.86 3h94 n THR 291 Cb 0.49 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 3h94 n THR 291 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3h94 n ARG 292 N -0.55 1.75 -4.79 -2.82 3.00 -1.22 -4.72 116.66 107.31 3h94 n ARG 292 Ca 0.00 -4.02 -0.25 0.00 -0.00 0.00 0.00 57.85 53.58 3h94 n ARG 292 Cb 0.00 -1.80 -0.15 0.00 0.00 0.00 0.00 32.46 30.51 3h94 n ARG 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3h94 s THR 293 N -2.08 1.43 0.60 5.15 2.01 -1.20 -3.25 115.64 118.29 3h94 s THR 293 Ca 0.39 -0.85 -0.03 0.00 0.31 0.00 0.00 61.69 61.51 3h94 s THR 293 Cb 0.18 -1.21 0.03 0.00 0.01 0.00 0.00 72.50 71.51 3h94 s THR 293 CO -0.06 0.34 0.86 -0.76 -0.69 0.00 0.00 174.62 174.31 3h94 s LEU 294 N -0.59 3.15 -0.16 4.42 1.43 0.14 0.47 118.68 127.54 3h94 s LEU 294 Ca 0.07 0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 3h94 s LEU 294 Cb -0.07 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 3h94 s LEU 294 CO -0.00 -1.23 -0.06 -1.10 0.23 0.00 0.00 176.35 174.19 3h94 s GLN 295 N -4.94 3.55 -0.22 1.70 -1.52 -1.25 -1.83 119.66 115.15 3h94 s GLN 295 Ca 0.57 -0.58 -0.09 0.00 -1.95 0.00 0.00 55.36 53.31 3h94 s GLN 295 Cb -0.10 -2.87 -0.04 0.00 -0.22 0.00 0.00 33.01 29.77 3h94 s GLN 295 CO 0.42 0.15 0.11 -1.17 -0.25 0.00 0.00 175.29 174.54 3h94 s LEU 296 N 0.58 3.88 -0.14 2.90 2.96 0.29 -0.94 118.68 128.22 3h94 s LEU 296 Ca -0.04 0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.79 3h94 s LEU 296 Cb -0.15 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3h94 s LEU 296 CO 0.03 0.09 0.27 -0.60 -1.32 0.00 0.00 176.35 174.81 3h94 s ARG 297 N 0.88 4.07 -0.06 1.98 3.52 0.46 -2.70 118.95 127.10 3h94 s ARG 297 Ca 0.05 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.74 3h94 s ARG 297 Cb -0.13 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3h94 s ARG 297 CO 0.03 0.40 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.32 3h94 s LEU 298 N -0.01 1.52 -0.47 -0.88 1.43 -1.06 -0.19 118.68 119.02 3h94 s LEU 298 Ca 0.16 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3h94 s LEU 298 Cb -0.13 -0.66 0.08 0.00 0.03 0.00 0.00 46.19 45.51 3h94 s LEU 298 CO 0.05 -0.00 0.38 -0.70 0.23 0.00 0.00 176.35 176.30 3h94 s GLU 299 N 0.76 2.89 0.64 1.70 2.12 -1.15 0.10 118.70 125.76 3h94 s GLU 299 Ca -0.13 -1.43 -0.11 0.00 0.36 0.00 0.00 54.97 53.66 3h94 s GLU 299 Cb -0.15 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 3h94 s GLU 299 CO 0.02 -1.06 1.04 0.08 -0.54 0.00 0.00 175.26 174.81 3h94 s VAL 300 N 1.58 4.49 -1.27 3.70 1.01 0.11 -1.01 120.40 129.01 3h94 s VAL 300 Ca 0.04 0.81 -0.10 0.00 0.00 0.00 0.00 61.98 62.73 3h94 s VAL 300 Cb -0.25 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.53 3h94 s VAL 300 CO 0.05 -1.06 1.81 -0.67 0.00 0.00 0.00 175.10 175.24 3h94 n ASP 301 N -2.83 5.10 -4.10 3.32 2.03 -1.20 -2.56 116.55 116.32 3h94 n ASP 301 Ca 0.06 -3.09 -0.43 0.00 0.52 0.00 0.00 54.79 51.86 3h94 n ASP 301 Cb 0.54 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 3h94 n ASP 301 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3h94 n ASN 302 N 4.14 4.46 -0.06 1.67 5.15 -0.66 -4.66 115.26 125.31 3h94 n ASN 302 Ca 0.39 -2.90 -0.21 0.00 -0.60 0.00 0.00 54.58 51.26 3h94 n ASN 302 Cb 0.37 -1.67 -0.13 0.00 -0.53 0.00 0.00 39.78 37.82 3h94 n ASN 302 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h94 n ALA 303 N 6.69 1.10 -1.94 5.20 0.00 -1.24 -3.64 120.51 126.68 3h94 n ALA 303 Ca 0.49 -0.80 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 3h94 n ALA 303 Cb 0.42 -0.42 0.14 0.00 0.00 0.00 0.00 19.45 19.59 3h94 n ALA 303 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h94 s ASP 304 N -6.86 3.79 -0.20 0.00 1.01 -1.26 -5.05 116.67 108.10 3h94 s ASP 304 Ca -0.28 0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.22 3h94 s ASP 304 Cb 0.08 -0.49 0.04 0.00 1.01 0.00 0.00 42.92 43.56 3h94 s ASP 304 CO 0.68 -2.29 -0.11 -1.61 0.21 0.00 0.00 175.17 172.06 3h94 s GLU 305 N -5.61 2.05 0.00 8.23 2.02 -1.26 -4.87 118.70 119.26 3h94 s GLU 305 Ca 0.69 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.85 3h94 s GLU 305 Cb -0.06 -2.40 0.00 0.00 0.10 0.00 0.00 34.13 31.77 3h94 s GLU 305 CO 0.50 -0.41 0.67 0.00 0.02 0.00 0.00 175.26 176.03 3h94 n ALA 306 N 4.69 1.90 -2.74 5.21 0.00 -1.26 -5.14 120.51 123.17 3h94 n ALA 306 Ca -0.15 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.56 3h94 n ALA 306 Cb 0.47 -0.20 -0.15 0.00 0.00 0.00 0.00 19.45 19.57 3h94 n ALA 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h94 s LEU 307 N 0.00 2.33 0.08 0.00 1.43 -1.26 -5.00 118.68 116.26 3h94 s LEU 307 Ca 0.00 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 3h94 s LEU 307 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3h94 s LEU 307 CO 0.00 0.25 0.02 -0.54 0.23 0.00 0.00 176.35 176.31 3h94 s LYS 308 N -0.20 0.73 0.17 1.70 -0.14 -1.26 -5.14 119.74 115.60 3h94 s LYS 308 Ca -0.02 -1.27 -0.29 0.00 -1.36 0.00 0.00 55.97 53.03 3h94 s LYS 308 Cb -0.13 0.23 -0.07 0.00 -1.68 0.00 0.00 37.83 36.17 3h94 s LYS 308 CO 0.03 -0.17 0.93 -2.14 -0.76 0.00 0.00 175.35 173.24 3h94 s PRO 309 N -3.95 4.75 0.00 -1.68 0.02 -1.26 -3.74 135.00 129.14 3h94 s PRO 309 Ca 0.12 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.57 3h94 s PRO 309 Cb 0.08 -3.32 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3h94 s PRO 309 CO -0.06 0.38 0.00 0.41 -0.33 0.00 0.00 177.00 177.40 3h94 n GLY 310 N 1.87 1.00 3.30 0.52 0.00 0.86 -4.90 105.19 107.83 3h94 n GLY 310 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3h94 n GLY 310 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h94 n MET 311 N -2.00 -1.88 -4.50 1.61 2.81 -1.24 -4.83 117.12 107.09 3h94 n MET 311 Ca 0.00 -0.53 -0.34 0.00 -1.81 0.00 0.00 57.70 55.02 3h94 n MET 311 Cb 0.00 -1.77 -0.10 0.00 -0.71 0.00 0.00 33.22 30.63 3h94 n MET 311 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3h94 s ASN 312 N -1.94 4.84 -0.14 7.83 0.01 -1.26 -3.94 114.94 120.34 3h94 s ASN 312 Ca 0.58 0.00 -0.12 0.00 -0.71 0.00 0.00 52.86 52.61 3h94 s ASN 312 Cb -0.14 -1.25 0.04 0.00 0.41 0.00 0.00 41.25 40.31 3h94 s ASN 312 CO 0.65 0.34 0.36 0.00 -1.51 0.00 0.00 177.10 176.95 3h94 s ALA 313 N -0.89 -0.90 -0.17 0.60 0.00 -1.16 -3.26 121.76 115.98 3h94 s ALA 313 Ca 0.14 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3h94 s ALA 313 Cb -0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3h94 s ALA 313 CO 0.04 -0.18 -0.04 -1.58 0.00 0.00 0.00 175.76 174.00 3h94 s TRP 314 N 0.33 3.00 -0.42 0.00 0.52 -0.42 0.84 118.94 122.79 3h94 s TRP 314 Ca -0.01 -0.43 -0.12 0.00 0.02 0.00 0.00 56.10 55.55 3h94 s TRP 314 Cb -0.03 -1.99 0.05 0.00 -1.15 0.00 0.00 33.47 30.35 3h94 s TRP 314 CO -0.01 -0.15 0.28 -1.17 0.02 0.00 0.00 176.95 175.93 3h94 s LEU 315 N 0.61 5.12 -0.42 2.99 2.96 0.23 -1.96 118.68 128.20 3h94 s LEU 315 Ca -0.03 -1.19 -0.17 0.00 -0.22 0.00 0.00 54.13 52.53 3h94 s LEU 315 Cb -0.14 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3h94 s LEU 315 CO 0.02 -0.50 0.41 -1.58 -1.32 0.00 0.00 176.35 173.39 3h94 s GLN 316 N 1.57 3.07 -0.21 1.98 0.74 0.97 -0.40 119.66 127.38 3h94 s GLN 316 Ca 0.03 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.54 3h94 s GLN 316 Cb -0.21 -3.97 -0.04 0.00 1.10 0.00 0.00 33.01 29.88 3h94 s GLN 316 CO 0.06 -0.84 0.10 -1.17 -0.55 0.00 0.00 175.29 172.89 3h94 s LEU 317 N 2.06 3.88 0.16 3.68 2.96 -0.40 0.08 118.68 131.10 3h94 s LEU 317 Ca 0.11 0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.93 3h94 s LEU 317 Cb -0.17 -2.01 -0.07 0.00 0.50 0.00 0.00 46.19 44.43 3h94 s LEU 317 CO 0.13 0.11 0.57 0.20 -1.32 0.00 0.00 176.35 176.04 3h94 s ASN 318 N 0.76 6.83 0.25 3.68 0.01 -0.75 -2.18 114.94 123.54 3h94 s ASN 318 Ca 0.05 1.10 0.01 0.00 -0.71 0.00 0.00 52.86 53.31 3h94 s ASN 318 Cb -0.13 -2.30 -0.01 0.00 0.41 0.00 0.00 41.25 39.23 3h94 s ASN 318 CO 0.02 0.08 0.05 0.41 -1.51 0.00 0.00 177.10 176.15 3h94 n THR 319 N 0.70 0.00 -3.85 1.60 -1.04 0.35 -4.78 114.28 107.26 3h94 n THR 319 Ca -0.04 -1.34 -0.10 0.00 -2.04 0.00 0.00 64.05 60.53 3h94 n THR 319 Cb 0.52 0.41 -0.01 0.00 -1.82 0.00 0.00 70.33 69.42 3h94 n THR 319 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h94 n ALA 320 N -1.98 -0.49 -2.73 2.41 0.00 -1.26 -1.48 120.51 114.98 3h94 n ALA 320 Ca -0.10 -1.14 -0.10 0.00 0.00 0.00 0.00 53.44 52.11 3h94 n ALA 320 Cb 0.35 0.92 -0.09 0.00 0.00 0.00 0.00 19.45 20.63 3h94 n ALA 320 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h94 s SER 321 N -2.59 0.14 0.26 0.00 1.04 -1.07 -4.83 113.70 106.65 3h94 s SER 321 Ca 0.19 -0.51 -0.28 0.00 0.48 0.00 0.00 55.95 55.83 3h94 s SER 321 Cb -0.01 0.25 -0.15 0.00 0.10 0.00 0.00 66.02 66.21 3h94 s SER 321 CO 0.14 -0.54 0.90 -0.62 0.98 0.00 0.00 173.24 174.10 3h94 n GLU 322 N 0.66 1.01 -1.91 4.02 1.02 -1.26 -4.22 120.64 119.96 3h94 n GLU 322 Ca -0.18 0.35 -0.38 0.00 -0.02 0.00 0.00 57.16 56.93 3h94 n GLU 322 Cb 0.59 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.39 3h94 n GLU 322 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3h94 s PRO 323 N -1.35 3.36 0.25 3.49 0.02 -1.26 -4.70 135.00 134.81 3h94 s PRO 323 Ca 0.61 2.13 -0.07 0.00 0.02 0.00 0.00 61.00 63.70 3h94 s PRO 323 Cb -0.77 -2.34 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 3h94 s PRO 323 CO 0.59 -0.98 0.35 -1.64 -0.33 0.00 0.00 177.00 174.99 3h94 s MET 324 N -2.79 1.48 -0.05 5.54 -1.94 0.95 -4.86 119.30 117.62 3h94 s MET 324 Ca 0.68 -1.48 -0.28 0.00 -1.71 0.00 0.00 55.69 52.90 3h94 s MET 324 Cb -0.38 0.39 -0.03 0.00 2.01 0.00 0.00 34.83 36.83 3h94 s MET 324 CO 0.45 -0.58 0.92 -0.51 -0.01 0.00 0.00 175.02 175.30 3h94 s LEU 325 N -3.11 4.32 -0.15 -0.03 1.43 -1.26 -0.66 118.68 119.22 3h94 s LEU 325 Ca 0.30 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 3h94 s LEU 325 Cb 0.02 -3.45 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3h94 s LEU 325 CO 0.12 -0.29 -0.20 -0.76 0.23 0.00 0.00 176.35 175.45 3h94 s LEU 326 N 1.29 2.17 0.22 1.79 1.43 -0.35 -1.70 118.68 123.54 3h94 s LEU 326 Ca 0.47 -0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.07 3h94 s LEU 326 Cb -0.19 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 3h94 s LEU 326 CO 0.23 0.06 -0.05 0.27 0.23 0.00 0.00 176.35 177.09 3h94 s ILE 327 N 0.93 3.34 -1.29 -0.59 -5.25 -0.81 -2.66 121.20 114.87 3h94 s ILE 327 Ca -0.04 -1.75 -0.14 0.00 -0.99 0.00 0.00 60.65 57.73 3h94 s ILE 327 Cb -0.15 -2.71 0.12 0.00 2.95 0.00 0.00 42.46 42.67 3h94 s ILE 327 CO -0.04 -0.22 1.75 -0.81 -1.79 0.00 0.00 174.94 173.83 3h94 n PRO 328 N -0.36 3.29 0.00 0.37 -0.05 -1.26 -2.44 135.00 134.55 3h94 n PRO 328 Ca -0.09 -3.41 0.00 0.00 -0.05 0.00 0.00 63.50 59.95 3h94 n PRO 328 Cb 0.57 -3.18 0.00 0.00 -0.05 0.00 0.00 33.50 30.84 3h94 n PRO 328 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 175.50 175.88 3h94 n SER 329 N 6.07 0.00 -0.30 3.54 7.64 -1.26 -2.59 113.62 126.73 3h94 n SER 329 Ca 0.43 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.30 3h94 n SER 329 Cb 0.41 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.77 3h94 n SER 329 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3h94 h GLN 330 N 0.00 1.17 0.00 1.43 4.20 -1.89 -1.20 115.11 118.83 3h94 h GLN 330 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3h94 h GLN 330 Cb 0.00 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.53 3h94 h GLN 330 CO 0.00 0.81 0.00 0.00 -0.67 0.00 0.00 178.83 178.97 3h94 n ALA 331 N -2.41 1.76 -2.65 3.87 0.00 -1.07 -4.72 120.51 115.29 3h94 n ALA 331 Ca 0.10 -0.06 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 3h94 n ALA 331 Cb 0.05 -1.26 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 3h94 n ALA 331 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h94 s LEU 332 N -2.90 4.12 -0.06 0.00 0.20 -0.45 -4.72 118.68 114.87 3h94 s LEU 332 Ca 0.09 0.58 0.02 0.00 0.69 0.00 0.00 54.13 55.51 3h94 s LEU 332 Cb 0.10 -2.63 0.01 0.00 -0.43 0.00 0.00 46.19 43.24 3h94 s LEU 332 CO 0.28 -0.18 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.41 3h94 s ILE 333 N 1.74 1.10 0.26 6.68 1.01 -0.29 -4.93 121.20 126.77 3h94 s ILE 333 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.47 3h94 s ILE 333 Cb -0.15 -1.01 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 3h94 s ILE 333 CO 0.09 0.35 -0.07 1.51 0.00 0.00 0.00 174.94 176.82 3h94 s ASP 334 N 0.66 2.61 0.00 3.58 1.47 -1.26 0.16 116.67 123.89 3h94 s ASP 334 Ca -0.14 -1.16 0.00 0.00 1.18 0.00 0.00 52.55 52.43 3h94 s ASP 334 Cb -0.16 -0.14 0.00 0.00 -0.34 0.00 0.00 42.92 42.28 3h94 s ASP 334 CO 0.04 -0.32 0.03 0.35 0.68 0.00 0.00 175.17 175.95 3h94 n THR 335 N -0.52 0.00 0.00 2.11 -2.24 -1.25 -4.98 114.28 107.40 3h94 n THR 335 Ca -0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3h94 n THR 335 Cb 0.63 1.46 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 3h94 n THR 335 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h94 n GLY 336 N 0.06 3.72 0.06 3.38 0.00 -1.26 -5.01 105.19 106.15 3h94 n GLY 336 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.66 3h94 n GLY 336 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h94 n SER 337 N 0.00 0.37 -4.74 1.61 7.64 -1.26 -4.86 113.62 112.38 3h94 n SER 337 Ca 0.00 0.15 -0.41 0.00 1.01 0.00 0.00 58.87 59.62 3h94 n SER 337 Cb 0.00 1.12 0.01 0.00 -1.01 0.00 0.00 64.21 64.32 3h94 n SER 337 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3h94 n GLU 338 N -2.56 2.30 -2.73 1.43 0.00 -1.26 -4.92 120.64 112.90 3h94 n GLU 338 Ca -0.09 0.81 -0.06 0.00 0.00 0.00 0.00 57.16 57.83 3h94 n GLU 338 Cb 0.71 -2.53 0.04 0.00 0.00 0.00 0.00 31.44 29.66 3h94 n GLU 338 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3h94 n GLN 339 N 0.22 0.55 -0.48 3.44 1.13 -1.26 -3.83 117.38 117.15 3h94 n GLN 339 Ca 0.04 -1.55 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 3h94 n GLN 339 Cb 0.39 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.62 3h94 n GLN 339 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 3h94 n ARG 340 N 2.06 0.00 -3.14 -1.09 -4.01 0.42 -3.21 116.66 107.69 3h94 n ARG 340 Ca 0.10 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 56.92 3h94 n ARG 340 Cb 0.63 0.00 0.01 0.00 -3.04 0.00 0.00 32.46 30.05 3h94 n ARG 340 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 3h94 n VAL 341 N 5.06 0.00 -4.05 8.89 0.24 -1.17 -1.14 118.33 126.17 3h94 n VAL 341 Ca 0.00 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.81 3h94 n VAL 341 Cb 0.00 0.38 -0.10 0.00 -1.47 0.00 0.00 33.84 32.65 3h94 n VAL 341 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3h94 s ILE 342 N -2.10 4.59 -0.20 1.34 1.01 -1.25 -0.77 121.20 123.82 3h94 s ILE 342 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 3h94 s ILE 342 Cb -0.01 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3h94 s ILE 342 CO 0.00 0.45 0.08 -0.89 0.00 0.00 0.00 174.94 174.59 3h94 s THR 343 N 0.50 4.84 0.71 2.92 2.01 -0.94 -4.04 115.64 121.64 3h94 s THR 343 Ca 0.02 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 3h94 s THR 343 Cb -0.13 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.22 3h94 s THR 343 CO 0.01 0.43 1.05 -0.69 -0.69 0.00 0.00 174.62 174.73 3h94 s VAL 344 N 0.62 2.68 -0.07 3.82 1.01 -1.23 -2.48 120.40 124.77 3h94 s VAL 344 Ca 0.04 -0.01 0.19 0.00 0.00 0.00 0.00 61.98 62.20 3h94 s VAL 344 Cb -0.13 -3.17 0.38 0.00 0.00 0.00 0.00 36.38 33.46 3h94 s VAL 344 CO 0.01 -0.20 1.17 0.47 0.00 0.00 0.00 175.10 176.55 3h94 n ASP 345 N -2.98 1.17 0.00 3.32 8.00 -1.06 -4.61 116.55 120.40 3h94 n ASP 345 Ca 0.07 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.98 3h94 n ASP 345 Cb 0.59 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 3h94 n ASP 345 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h94 n ALA 346 N -0.09 0.00 0.80 2.24 0.00 -1.26 -4.58 120.51 117.62 3h94 n ALA 346 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.62 3h94 n ALA 346 Cb 0.96 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.84 3h94 n ALA 346 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h94 n ASP 347 N 0.00 0.00 -1.28 0.00 9.92 -1.26 -4.82 116.55 119.10 3h94 n ASP 347 Ca 0.00 0.09 -0.15 0.00 -0.53 0.00 0.00 54.79 54.21 3h94 n ASP 347 Cb 0.00 -0.31 -0.05 0.00 -0.64 0.00 0.00 41.12 40.12 3h94 n ASP 347 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3h94 n GLY 348 N 0.22 1.01 3.41 0.44 0.00 -1.26 -4.98 105.19 104.02 3h94 n GLY 348 Ca 0.08 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3h94 n GLY 348 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h94 s ARG 349 N -3.68 3.34 0.72 1.61 1.70 -1.26 -4.94 118.95 116.44 3h94 s ARG 349 Ca 0.00 -0.65 -0.04 0.00 -0.47 0.00 0.00 55.73 54.57 3h94 s ARG 349 Cb 0.00 -2.67 0.10 0.00 -0.57 0.00 0.00 34.95 31.82 3h94 s ARG 349 CO 0.00 0.27 1.00 -0.06 -1.08 0.00 0.00 175.30 175.44 3h94 s PHE 350 N 0.21 2.17 -0.05 5.89 0.08 -1.26 -2.55 117.98 122.47 3h94 s PHE 350 Ca -0.07 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 56.72 3h94 s PHE 350 Cb -0.15 -3.16 0.11 0.00 -0.57 0.00 0.00 43.02 39.26 3h94 s PHE 350 CO 0.05 -1.61 1.09 0.54 -0.10 0.00 0.00 175.22 175.19 3h94 s VAL 351 N -3.20 0.00 -0.12 -0.44 0.11 -1.03 -4.93 120.40 110.78 3h94 s VAL 351 Ca 0.64 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 59.44 3h94 s VAL 351 Cb -0.07 -1.36 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 3h94 s VAL 351 CO 0.44 0.00 0.22 -2.16 -3.33 0.00 0.00 175.10 170.27 3h94 s PRO 352 N -2.76 3.85 -0.06 1.54 0.05 -1.26 -2.22 135.00 134.13 3h94 s PRO 352 Ca 0.10 -0.00 0.03 0.00 0.05 0.00 0.00 61.00 61.18 3h94 s PRO 352 Cb 0.00 -3.29 0.00 0.00 0.05 0.00 0.00 34.50 31.26 3h94 s PRO 352 CO -0.05 0.55 -0.16 0.15 0.05 0.00 0.00 177.00 177.54 3h94 s LYS 353 N -0.45 2.00 -0.56 4.56 -0.14 0.05 -4.95 119.74 120.26 3h94 s LYS 353 Ca 0.16 -0.58 -0.19 0.00 -1.36 0.00 0.00 55.97 54.00 3h94 s LYS 353 Cb -0.13 -1.64 0.09 0.00 -1.68 0.00 0.00 37.83 34.47 3h94 s LYS 353 CO 0.04 0.14 0.66 0.50 -0.76 0.00 0.00 175.35 175.94 3h94 s ARG 354 N 0.35 3.06 0.27 1.68 3.52 -1.26 -3.05 118.95 123.52 3h94 s ARG 354 Ca -0.11 -1.21 0.04 0.00 -0.13 0.00 0.00 55.73 54.32 3h94 s ARG 354 Cb -0.15 -4.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.00 3h94 s ARG 354 CO 0.04 -1.42 0.40 0.14 -0.81 0.00 0.00 175.30 173.65 3h94 s VAL 355 N 2.59 5.17 -0.06 7.11 -7.23 -1.20 -4.58 120.40 122.20 3h94 s VAL 355 Ca 0.12 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 3h94 s VAL 355 Cb -0.23 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 3h94 s VAL 355 CO 0.08 -0.36 -0.10 0.00 -0.31 0.00 0.00 175.10 174.41 3h94 s ALA 356 N -2.05 2.86 0.71 1.32 0.00 0.39 -4.66 121.76 120.33 3h94 s ALA 356 Ca 0.36 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3h94 s ALA 356 Cb -0.09 -1.13 0.14 0.00 0.00 0.00 0.00 23.12 22.03 3h94 s ALA 356 CO 0.30 0.56 0.98 0.14 0.00 0.00 0.00 175.76 177.74 3h94 s VAL 357 N -0.76 2.01 0.00 0.00 -7.23 -1.26 -2.18 120.40 110.98 3h94 s VAL 357 Ca 0.12 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 3h94 s VAL 357 Cb -0.11 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.53 3h94 s VAL 357 CO 0.01 0.00 0.00 0.33 -0.31 0.00 0.00 175.10 175.13 3h94 n PHE 358 N -2.76 0.00 -4.22 2.82 -0.00 0.15 -3.65 117.46 109.80 3h94 n PHE 358 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.49 3h94 n PHE 358 Cb 0.61 0.30 -0.10 0.00 -0.00 0.00 0.00 39.48 40.29 3h94 n PHE 358 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 3h94 s GLN 359 N -0.99 1.28 0.08 -4.13 -2.07 -1.09 -5.01 119.66 107.73 3h94 s GLN 359 Ca 0.00 -1.68 0.02 0.00 -1.82 0.00 0.00 55.36 51.87 3h94 s GLN 359 Cb 0.00 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 3h94 s GLN 359 CO 0.00 -0.41 -0.07 0.00 -1.32 0.00 0.00 175.29 173.49 3h94 s ALA 360 N -4.05 0.83 0.00 2.60 0.00 -1.26 -0.89 121.76 118.99 3h94 s ALA 360 Ca 0.39 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3h94 s ALA 360 Cb 0.07 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.30 3h94 s ALA 360 CO 0.14 -0.15 0.00 -1.13 0.00 0.00 0.00 175.76 174.62 3h94 n SER 361 N 0.54 0.00 0.00 0.00 3.41 -0.35 -5.01 113.62 112.22 3h94 n SER 361 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3h94 n SER 361 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3h94 n SER 361 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h94 n GLN 362 N -0.02 0.00 0.00 4.33 1.13 -1.26 -2.51 117.38 119.06 3h94 n GLN 362 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3h94 n GLN 362 Cb 0.00 -0.92 0.00 0.00 0.11 0.00 0.00 30.24 29.43 3h94 n GLN 362 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h94 n GLY 363 N 0.00 0.00 3.25 1.08 0.00 -1.26 -5.17 105.19 103.09 3h94 n GLY 363 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3h94 n GLY 363 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h94 s VAL 364 N 0.00 0.90 0.03 1.61 -7.23 -1.04 -4.03 120.40 110.64 3h94 s VAL 364 Ca 0.00 -2.01 0.08 0.00 -1.81 0.00 0.00 61.98 58.24 3h94 s VAL 364 Cb 0.00 -2.03 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 3h94 s VAL 364 CO 0.00 -0.58 -0.22 0.42 -0.31 0.00 0.00 175.10 174.42 3h94 s THR 365 N -3.50 2.50 -0.20 5.32 -4.23 -1.02 -1.21 115.64 113.30 3h94 s THR 365 Ca 0.21 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 3h94 s THR 365 Cb 0.05 -2.00 0.02 0.00 1.34 0.00 0.00 72.50 71.91 3h94 s THR 365 CO 0.03 0.40 -0.16 0.00 -0.54 0.00 0.00 174.62 174.34 3h94 s ALA 366 N -0.83 2.44 0.15 3.99 0.00 -0.06 -1.91 121.76 125.53 3h94 s ALA 366 Ca 0.13 -1.27 -0.25 0.00 0.00 0.00 0.00 51.96 50.56 3h94 s ALA 366 Cb -0.10 -1.32 -0.08 0.00 0.00 0.00 0.00 23.12 21.62 3h94 s ALA 366 CO 0.03 -0.46 0.77 -0.51 0.00 0.00 0.00 175.76 175.59 3h94 s LEU 367 N 1.30 4.58 -0.02 0.00 1.02 -0.69 0.32 118.68 125.19 3h94 s LEU 367 Ca 0.04 1.62 -0.05 0.00 0.02 0.00 0.00 54.13 55.76 3h94 s LEU 367 Cb -0.14 -3.28 -0.28 0.00 0.02 0.00 0.00 46.19 42.51 3h94 s LEU 367 CO -0.10 0.20 0.76 0.03 0.02 0.00 0.00 176.35 177.25 3h94 h ARG 368 N 4.45 0.28 -2.98 1.70 2.47 -1.51 -3.38 114.38 115.41 3h94 h ARG 368 Ca -0.47 -0.48 -0.12 0.00 -1.26 0.00 0.00 59.98 57.65 3h94 h ARG 368 Cb 1.21 0.18 -0.21 0.00 -1.65 0.00 0.00 29.97 29.49 3h94 h ARG 368 CO 0.66 1.15 -0.28 -1.12 0.56 0.00 0.00 179.97 180.95 3h94 s SER 369 N -7.03 -0.24 0.00 7.04 0.01 -1.26 -4.99 113.70 107.23 3h94 s SER 369 Ca -0.12 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.40 3h94 s SER 369 Cb 0.06 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.71 3h94 s SER 369 CO 0.85 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.74 3h94 n GLY 370 N 1.68 2.80 3.54 3.44 0.00 -1.26 0.15 105.19 115.54 3h94 n GLY 370 Ca -0.19 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 3h94 n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h94 s LEU 371 N 0.00 2.72 0.20 0.99 1.43 -1.26 -4.72 118.68 118.04 3h94 s LEU 371 Ca 0.00 -1.20 0.06 0.00 -1.03 0.00 0.00 54.13 51.96 3h94 s LEU 371 Cb 0.00 -0.99 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3h94 s LEU 371 CO 0.00 -0.21 0.16 0.00 0.23 0.00 0.00 176.35 176.53 3h94 s ALA 372 N -2.62 3.57 0.57 4.21 0.00 -1.26 -5.05 121.76 121.18 3h94 s ALA 372 Ca 0.32 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 3h94 s ALA 372 Cb 0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 3h94 s ALA 372 CO 0.16 0.41 1.32 -2.00 0.00 0.00 0.00 175.76 175.66 3h94 s GLU 373 N -3.38 3.01 0.00 0.00 2.12 -1.26 -2.84 118.70 116.36 3h94 s GLU 373 Ca 0.32 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.79 3h94 s GLU 373 Cb -0.09 -2.14 0.00 0.00 0.26 0.00 0.00 34.13 32.16 3h94 s GLU 373 CO 0.24 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 174.11 3h94 n GLY 374 N 0.74 1.74 3.40 -1.50 0.00 -0.45 -4.98 105.19 104.14 3h94 n GLY 374 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 3h94 n GLY 374 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h94 n GLU 375 N -0.93 0.19 -2.93 1.61 2.13 -1.13 -4.56 120.64 115.02 3h94 n GLU 375 Ca 0.00 0.07 -0.31 0.00 0.66 0.00 0.00 57.16 57.57 3h94 n GLU 375 Cb 0.00 -1.13 -0.05 0.00 0.27 0.00 0.00 31.44 30.53 3h94 n GLU 375 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3h94 s LYS 376 N -1.11 3.90 0.10 5.31 1.02 -1.26 -1.81 119.74 125.89 3h94 s LYS 376 Ca 0.62 0.62 -0.06 0.00 0.02 0.00 0.00 55.97 57.17 3h94 s LYS 376 Cb -0.81 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.11 3h94 s LYS 376 CO 0.58 0.02 0.16 0.54 -0.92 0.00 0.00 175.35 175.73 3h94 s VAL 377 N -2.23 0.13 -0.16 3.17 0.11 -0.19 -3.50 120.40 117.74 3h94 s VAL 377 Ca 0.54 -1.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 3h94 s VAL 377 Cb -0.10 -1.57 -0.03 0.00 -1.53 0.00 0.00 36.38 33.15 3h94 s VAL 377 CO 0.25 -0.61 -0.02 0.54 -3.33 0.00 0.00 175.10 171.92 3h94 s VAL 378 N -3.92 4.06 -1.63 2.04 0.11 -1.26 -1.24 120.40 118.57 3h94 s VAL 378 Ca 0.10 -0.30 0.22 0.00 -2.93 0.00 0.00 61.98 59.07 3h94 s VAL 378 Cb 0.05 -2.78 -0.09 0.00 -1.53 0.00 0.00 36.38 32.03 3h94 s VAL 378 CO -0.07 0.49 1.02 -1.54 -3.33 0.00 0.00 175.10 171.68 3h94 n SER 379 N 3.45 1.62 -3.70 3.54 3.41 -1.15 -4.04 113.62 116.75 3h94 n SER 379 Ca -0.17 -1.30 -0.11 0.00 -0.26 0.00 0.00 58.87 57.02 3h94 n SER 379 Cb 0.52 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 65.09 3h94 n SER 379 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3h94 s SER 380 N -2.69 -0.18 0.00 4.04 0.15 -1.25 -4.52 113.70 109.25 3h94 s SER 380 Ca 0.14 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.55 3h94 s SER 380 Cb 0.17 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 3h94 s SER 380 CO 0.69 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 175.01 3h94 n GLY 381 N 0.18 2.27 3.01 9.45 0.00 -1.26 -2.37 105.19 116.47 3h94 n GLY 381 Ca -0.17 -1.89 -0.15 0.00 0.00 0.00 0.00 46.02 43.81 3h94 n GLY 381 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3h94 s LEU 382 N 0.00 2.11 0.22 0.99 -0.00 -1.26 -5.01 118.68 115.73 3h94 s LEU 382 Ca 0.00 -0.28 -0.19 0.00 -0.00 0.00 0.00 54.13 53.65 3h94 s LEU 382 Cb 0.00 -0.28 0.03 0.00 -0.00 0.00 0.00 46.19 45.94 3h94 s LEU 382 CO 0.00 -0.02 0.60 0.72 -0.00 0.00 0.00 176.35 177.65 3h94 s PHE 383 N -0.61 -0.18 -0.00 3.48 -0.12 -1.26 -4.49 117.98 114.79 3h94 s PHE 383 Ca -0.02 -0.18 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 3h94 s PHE 383 Cb -0.05 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 3h94 s PHE 383 CO 0.00 -1.02 -0.02 -0.48 -0.05 0.00 0.00 175.22 173.65 3h94 s LEU 384 N -2.88 3.40 0.00 -1.99 2.34 -1.19 -4.91 118.68 113.46 3h94 s LEU 384 Ca 0.09 -0.05 0.27 0.00 0.06 0.00 0.00 54.13 54.50 3h94 s LEU 384 Cb -0.03 -1.94 1.59 0.00 -0.56 0.00 0.00 46.19 45.25 3h94 s LEU 384 CO -0.00 0.29 1.94 -0.38 -1.06 0.00 0.00 176.35 177.13