#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h94 s GLN 90 N 0.00 0.23 0.53 -0.78 1.11 -1.26 -4.56 119.66 114.93 3h94 s GLN 90 Ca 0.00 -0.10 -0.19 0.00 0.01 0.00 0.00 55.36 55.09 3h94 s GLN 90 Cb 0.00 0.02 -0.07 0.00 -1.01 0.00 0.00 33.01 31.96 3h94 s GLN 90 CO 0.00 -0.33 1.05 -0.80 0.01 0.00 0.00 175.29 175.22 3h94 s ASN 91 N 1.85 6.11 0.65 5.90 0.01 -1.26 -5.00 114.94 123.20 3h94 s ASN 91 Ca 0.16 1.90 -0.17 0.00 -0.71 0.00 0.00 52.86 54.03 3h94 s ASN 91 Cb 0.04 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 3h94 s ASN 91 CO -0.14 -0.94 0.69 -0.11 -1.51 0.00 0.00 177.10 175.09 3h94 n LEU 92 N -1.38 1.85 0.00 0.60 -0.00 -1.26 -4.76 117.00 112.06 3h94 n LEU 92 Ca 0.09 0.69 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 3h94 n LEU 92 Cb 0.53 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.68 3h94 n LEU 92 CO 0.43 -2.67 0.00 0.61 -0.00 0.00 0.00 177.39 175.76 3h94 n GLY 93 N 1.54 -0.37 3.31 -3.96 0.00 -1.26 -5.03 105.19 99.41 3h94 n GLY 93 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3h94 n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3h94 n VAL 94 N 0.00 0.00 -3.68 1.61 0.31 -1.26 -4.60 118.33 110.71 3h94 n VAL 94 Ca 0.00 -0.29 -0.14 0.00 -0.01 0.00 0.00 64.34 63.90 3h94 n VAL 94 Cb 0.00 -0.84 -0.07 0.00 -0.91 0.00 0.00 33.84 32.01 3h94 n VAL 94 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3h94 s LYS 95 N -4.19 0.84 0.05 5.55 2.20 -1.23 -4.88 119.74 118.07 3h94 s LYS 95 Ca 0.62 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 56.05 3h94 s LYS 95 Cb -0.17 0.38 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 3h94 s LYS 95 CO 0.61 -0.26 -0.03 0.95 -0.36 0.00 0.00 175.35 176.25 3h94 s THR 96 N -1.74 0.21 0.10 3.43 -4.23 -1.25 -1.08 115.64 111.09 3h94 s THR 96 Ca -0.10 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3h94 s THR 96 Cb -0.03 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 3h94 s THR 96 CO 0.03 -0.91 -0.11 0.00 -0.54 0.00 0.00 174.62 173.09 3h94 s ALA 97 N -3.50 1.16 0.33 3.99 0.00 0.31 -4.60 121.76 119.45 3h94 s ALA 97 Ca 0.03 -1.20 0.09 0.00 0.00 0.00 0.00 51.96 50.89 3h94 s ALA 97 Cb 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 3h94 s ALA 97 CO -0.08 -0.02 -0.02 -0.08 0.00 0.00 0.00 175.76 175.56 3h94 s THR 98 N -2.39 2.60 0.00 0.00 -1.32 -1.26 -0.22 115.64 113.05 3h94 s THR 98 Ca 0.06 -2.04 -0.20 0.00 -1.21 0.00 0.00 61.69 58.30 3h94 s THR 98 Cb -0.03 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.17 3h94 s THR 98 CO 0.00 -0.23 0.57 -0.69 -2.21 0.00 0.00 174.62 172.07 3h94 s VAL 99 N -2.52 4.90 0.09 5.08 1.01 -0.82 -4.77 120.40 123.37 3h94 s VAL 99 Ca 0.34 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.54 3h94 s VAL 99 Cb -0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3h94 s VAL 99 CO 0.19 0.44 -0.09 0.42 0.00 0.00 0.00 175.10 176.07 3h94 s THR 100 N -0.35 0.79 -0.17 3.92 -4.23 -1.12 -3.00 115.64 111.48 3h94 s THR 100 Ca 0.30 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.05 3h94 s THR 100 Cb -0.18 -1.34 -0.05 0.00 1.34 0.00 0.00 72.50 72.28 3h94 s THR 100 CO 0.17 -0.63 0.20 -0.60 -0.54 0.00 0.00 174.62 173.22 3h94 s ARG 101 N -2.92 4.12 0.29 3.99 3.52 -1.26 -0.83 118.95 125.86 3h94 s ARG 101 Ca 0.05 -0.07 -0.20 0.00 -0.13 0.00 0.00 55.73 55.39 3h94 s ARG 101 Cb -0.01 -3.39 0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3h94 s ARG 101 CO -0.01 0.34 0.82 0.20 -0.81 0.00 0.00 175.30 175.84 3h94 s GLY 102 N 0.19 0.10 0.13 8.12 0.00 -1.09 -4.95 107.32 109.81 3h94 s GLY 102 Ca 0.13 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.46 3h94 s GLY 102 CO 0.01 0.12 0.09 2.56 0.00 0.00 0.00 173.10 175.89 3h94 s PRO 103 N -2.99 2.82 -0.04 2.90 0.04 -1.26 0.17 135.00 136.63 3h94 s PRO 103 Ca 0.14 -0.82 -0.03 0.00 0.04 0.00 0.00 61.00 60.33 3h94 s PRO 103 Cb -0.05 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 3h94 s PRO 103 CO 0.08 0.52 0.15 -1.17 0.04 0.00 0.00 177.00 176.61 3h94 s LEU 104 N -2.75 4.26 -0.25 -3.56 2.96 -1.26 -4.78 118.68 113.29 3h94 s LEU 104 Ca 0.30 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.44 3h94 s LEU 104 Cb -0.11 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 3h94 s LEU 104 CO 0.22 0.31 0.16 0.42 -1.32 0.00 0.00 176.35 176.14 3h94 s THR 105 N -1.20 5.22 -0.12 3.68 -4.23 -1.24 -2.82 115.64 114.92 3h94 s THR 105 Ca 0.23 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.83 3h94 s THR 105 Cb -0.12 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 3h94 s THR 105 CO 0.13 0.32 0.02 -0.36 -0.54 0.00 0.00 174.62 174.18 3h94 s PHE 106 N 1.33 3.18 -0.24 3.99 0.08 0.91 -4.47 117.98 122.77 3h94 s PHE 106 Ca 0.07 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 57.15 3h94 s PHE 106 Cb -0.15 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.39 3h94 s PHE 106 CO 0.07 0.32 0.03 0.00 -0.10 0.00 0.00 175.22 175.53 3h94 s ALA 107 N -0.37 3.05 -0.07 5.36 0.00 -1.26 0.13 121.76 128.61 3h94 s ALA 107 Ca 0.08 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.96 3h94 s ALA 107 Cb -0.12 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 3h94 s ALA 107 CO 0.02 -0.44 -0.24 -1.14 0.00 0.00 0.00 175.76 173.96 3h94 s GLN 108 N 1.51 2.63 -0.15 0.00 0.74 1.21 -4.93 119.66 120.67 3h94 s GLN 108 Ca 0.06 -0.88 -0.03 0.00 0.05 0.00 0.00 55.36 54.57 3h94 s GLN 108 Cb -0.15 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.78 3h94 s GLN 108 CO 0.01 0.32 -0.07 0.45 -0.55 0.00 0.00 175.29 175.45 3h94 s SER 109 N -0.01 4.52 0.16 6.67 0.15 -1.26 0.44 113.70 124.37 3h94 s SER 109 Ca -0.08 -0.20 0.07 0.00 0.70 0.00 0.00 55.95 56.44 3h94 s SER 109 Cb -0.15 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 3h94 s SER 109 CO 0.05 0.16 -0.15 -0.36 1.20 0.00 0.00 173.24 174.14 3h94 s PHE 110 N 0.39 1.61 -0.22 3.44 0.08 0.19 -4.95 117.98 118.53 3h94 s PHE 110 Ca -0.06 -0.54 -0.10 0.00 0.12 0.00 0.00 56.93 56.35 3h94 s PHE 110 Cb -0.15 -0.81 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 3h94 s PHE 110 CO 0.04 0.25 0.15 -1.25 -0.10 0.00 0.00 175.22 174.31 3h94 s PRO 111 N -2.96 4.13 -0.05 0.24 0.04 -1.26 0.14 135.00 135.28 3h94 s PRO 111 Ca 0.15 -0.23 0.02 0.00 0.04 0.00 0.00 61.00 60.97 3h94 s PRO 111 Cb -0.04 -3.48 0.02 0.00 0.04 0.00 0.00 34.50 31.03 3h94 s PRO 111 CO 0.05 0.17 -0.08 0.00 0.04 0.00 0.00 177.00 177.18 3h94 s ALA 112 N 0.73 0.92 0.55 8.56 0.00 0.21 -4.36 121.76 128.37 3h94 s ALA 112 Ca 0.08 -0.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 3h94 s ALA 112 Cb -0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 3h94 s ALA 112 CO 0.02 0.06 0.96 0.54 0.00 0.00 0.00 175.76 177.34 3h94 s ASN 113 N 0.73 6.39 -0.17 0.00 2.20 -1.09 -2.22 114.94 120.79 3h94 s ASN 113 Ca -0.12 1.39 -0.08 0.00 -0.94 0.00 0.00 52.86 53.11 3h94 s ASN 113 Cb -0.14 -2.45 -0.04 0.00 -2.00 0.00 0.00 41.25 36.62 3h94 s ASN 113 CO 0.02 -0.70 0.10 -0.69 -2.94 0.00 0.00 177.10 172.89 3h94 s VAL 114 N -2.87 5.16 0.03 3.54 1.01 -1.25 -1.40 120.40 124.62 3h94 s VAL 114 Ca 0.55 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.65 3h94 s VAL 114 Cb -0.10 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3h94 s VAL 114 CO 0.43 0.50 -0.08 -0.55 0.00 0.00 0.00 175.10 175.40 3h94 s SER 115 N -0.05 0.90 0.28 3.32 0.15 0.99 -1.65 113.70 117.63 3h94 s SER 115 Ca 0.08 -0.43 -0.29 0.00 0.70 0.00 0.00 55.95 56.01 3h94 s SER 115 Cb -0.12 -0.00 -0.10 0.00 -1.71 0.00 0.00 66.02 64.09 3h94 s SER 115 CO 0.00 -0.11 1.15 -0.31 1.20 0.00 0.00 173.24 175.17 3h94 s TYR 116 N -1.02 3.45 0.07 3.44 2.02 -1.26 0.14 117.35 124.18 3h94 s TYR 116 Ca -0.06 1.61 -0.30 0.00 -0.37 0.00 0.00 57.07 57.95 3h94 s TYR 116 Cb -0.08 -3.38 -0.05 0.00 -0.40 0.00 0.00 41.96 38.04 3h94 s TYR 116 CO 0.00 -0.90 1.12 0.54 -1.57 0.00 0.00 175.55 174.75 3h94 s ASN 117 N -0.68 7.20 0.65 2.29 4.22 -1.26 -4.84 114.94 122.52 3h94 s ASN 117 Ca 0.46 1.93 0.40 0.00 -2.14 0.00 0.00 52.86 53.52 3h94 s ASN 117 Cb -0.34 -2.58 2.24 0.00 1.28 0.00 0.00 41.25 41.85 3h94 s ASN 117 CO 0.43 -0.36 2.31 -0.33 -2.04 0.00 0.00 177.10 177.11 3h94 h GLU 118 N 6.45 0.00 0.00 3.55 3.07 -1.96 -2.84 114.58 122.85 3h94 h GLU 118 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 3h94 h GLU 118 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3h94 h GLU 118 CO 0.78 0.00 -0.76 0.66 -1.40 0.00 0.00 179.01 178.29 3h94 n TYR 119 N -3.23 0.02 -2.11 4.33 0.53 -1.26 -4.40 117.16 111.04 3h94 n TYR 119 Ca -0.03 0.01 -0.39 0.00 -1.02 0.00 0.00 57.90 56.46 3h94 n TYR 119 Cb 0.11 -0.16 -0.00 0.00 -1.03 0.00 0.00 39.34 38.26 3h94 n TYR 119 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 3h94 n GLN 120 N -1.54 4.64 -4.24 -0.72 -0.06 -1.07 -4.88 117.38 109.51 3h94 n GLN 120 Ca 0.05 -3.67 -0.13 0.00 -2.00 0.00 0.00 57.00 51.24 3h94 n GLN 120 Cb 0.34 -2.56 -0.10 0.00 -4.06 0.00 0.00 30.24 23.86 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 -1.95 1.20 -0.03 3.69 -0.00 -1.26 -1.94 117.35 117.06 3h94 s TYR 121 Ca 0.51 -0.96 -0.00 0.00 -0.00 0.00 0.00 57.07 56.62 3h94 s TYR 121 Cb 0.20 -0.67 0.03 0.00 -0.00 0.00 0.00 41.96 41.52 3h94 s TYR 121 CO -0.12 -0.14 0.03 0.00 -0.00 0.00 0.00 175.55 175.32 3h94 s ALA 122 N -3.58 0.24 -0.19 9.51 0.00 -0.99 -4.99 121.76 121.76 3h94 s ALA 122 Ca 0.21 0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 3h94 s ALA 122 Cb 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3h94 s ALA 122 CO 0.02 -0.21 0.08 0.96 0.00 0.00 0.00 175.76 176.61 3h94 s ILE 123 N 1.38 4.95 -0.16 0.00 -5.25 -1.26 -2.21 121.20 118.65 3h94 s ILE 123 Ca -0.05 0.02 -0.05 0.00 -0.99 0.00 0.00 60.65 59.58 3h94 s ILE 123 Cb -0.13 -3.24 -0.04 0.00 2.95 0.00 0.00 42.46 42.01 3h94 s ILE 123 CO -0.03 0.46 0.02 -0.69 -1.79 0.00 0.00 174.94 172.91 3h94 s VAL 124 N 0.36 4.43 0.00 8.37 1.01 0.28 -4.99 120.40 129.86 3h94 s VAL 124 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3h94 s VAL 124 Cb -0.12 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3h94 s VAL 124 CO -0.00 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.59 3h94 n GLN 125 N 3.31 0.57 -4.39 2.72 10.64 -1.25 -0.57 117.38 128.40 3h94 n GLN 125 Ca -0.17 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.81 3h94 n GLN 125 Cb 0.53 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.76 3h94 n GLN 125 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3h94 s ALA 126 N -2.00 0.79 -0.29 2.61 0.00 -0.88 -4.81 121.76 117.18 3h94 s ALA 126 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 3h94 s ALA 126 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3h94 s ALA 126 CO 0.00 0.19 0.15 1.03 0.00 0.00 0.00 175.76 177.13 3h94 s ARG 127 N -0.18 3.54 0.00 0.00 3.00 -1.26 -3.04 118.95 121.02 3h94 s ARG 127 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 55.73 55.18 3h94 s ARG 127 Cb -0.04 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.36 3h94 s ARG 127 CO -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 175.30 174.98 3h94 n ALA 128 N 4.99 0.00 -3.27 2.13 0.00 -0.69 -4.89 120.51 118.78 3h94 n ALA 128 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.07 3h94 n ALA 128 Cb 0.50 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.79 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 -1.45 1.06 0.29 0.00 0.00 -1.26 -2.32 121.76 118.07 3h94 s ALA 129 Ca 0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 3h94 s ALA 129 Cb 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.69 3h94 s ALA 129 CO 0.00 0.12 0.66 0.20 0.00 0.00 0.00 175.76 176.75 3h94 s GLY 130 N 0.46 0.16 -0.06 0.00 0.00 0.71 -4.85 107.32 103.74 3h94 s GLY 130 Ca -0.09 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.16 3h94 s GLY 130 CO 0.02 -0.27 -0.24 -1.36 0.00 0.00 0.00 173.10 171.25 3h94 s PHE 131 N -3.74 2.38 0.50 1.90 0.40 -1.25 0.44 117.98 118.61 3h94 s PHE 131 Ca 0.15 -0.73 -0.05 0.00 -0.60 0.00 0.00 56.93 55.70 3h94 s PHE 131 Cb -0.04 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 3h94 s PHE 131 CO 0.08 -0.23 0.81 0.42 0.70 0.00 0.00 175.22 177.01 3h94 s ILE 132 N -0.11 4.69 0.06 0.64 1.09 0.20 -1.85 121.20 125.92 3h94 s ILE 132 Ca -0.05 0.18 -0.27 0.00 -1.10 0.00 0.00 60.65 59.42 3h94 s ILE 132 Cb -0.14 -3.80 0.09 0.00 -1.06 0.00 0.00 42.46 37.56 3h94 s ILE 132 CO 0.04 -0.79 0.78 -0.62 -0.10 0.00 0.00 174.94 174.25 3h94 s ASP 133 N -4.14 -0.44 0.00 3.58 2.15 0.78 -2.93 116.67 115.67 3h94 s ASP 133 Ca 0.49 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.46 3h94 s ASP 133 Cb -0.10 0.46 0.00 0.00 -0.30 0.00 0.00 42.92 42.98 3h94 s ASP 133 CO 0.45 -0.75 0.00 1.17 -0.17 0.00 0.00 175.17 175.87 3h94 n LYS 134 N -0.30 0.00 0.00 4.34 3.00 -1.26 -1.82 118.16 122.13 3h94 n LYS 134 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 3h94 n LYS 134 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.66 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 0.00 3.15 0.31 -1.26 -4.91 118.33 115.62 3h94 n VAL 135 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3h94 n VAL 135 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.00 -1.46 3.52 4.01 -1.26 -3.28 117.16 118.69 3h94 n TYR 136 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 3h94 n TYR 136 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 -0.19 3.25 -3.83 -0.72 -0.05 -1.26 -4.84 135.00 127.35 3h94 n PRO 137 Ca 0.00 -2.28 -0.27 0.00 -0.05 0.00 0.00 63.50 60.90 3h94 n PRO 137 Cb 0.00 -2.42 -0.17 0.00 -0.05 0.00 0.00 33.50 30.87 3h94 n PRO 137 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3h94 s LEU 138 N -1.01 1.32 0.00 1.53 1.02 -1.26 -5.10 118.68 115.18 3h94 s LEU 138 Ca 0.63 -0.59 0.00 0.00 0.02 0.00 0.00 54.13 54.19 3h94 s LEU 138 Cb 0.26 -0.75 0.00 0.00 0.02 0.00 0.00 46.19 45.72 3h94 s LEU 138 CO -0.09 -0.21 0.00 0.35 0.02 0.00 0.00 176.35 176.41 3h94 n THR 139 N 4.97 0.00 -0.14 5.49 -2.24 -1.26 -4.92 114.28 116.17 3h94 n THR 139 Ca -0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 3h94 n THR 139 Cb 0.48 -1.58 0.29 0.00 -2.10 0.00 0.00 70.33 67.42 3h94 n THR 139 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3h94 n VAL 140 N -1.55 1.41 -3.09 2.28 0.24 -1.26 -4.38 118.33 111.97 3h94 n VAL 140 Ca 0.00 -0.93 -0.19 0.00 -2.04 0.00 0.00 64.34 61.19 3h94 n VAL 140 Cb 0.00 0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 3h94 n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h94 n GLY 141 N 1.01 2.50 3.27 7.63 0.00 -1.26 -4.29 105.19 114.05 3h94 n GLY 141 Ca 0.21 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 3h94 n GLY 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h94 s ASP 142 N -1.62 2.01 -0.12 1.61 1.01 -1.26 -4.97 116.67 113.33 3h94 s ASP 142 Ca 0.35 -0.98 -0.22 0.00 0.71 0.00 0.00 52.55 52.41 3h94 s ASP 142 Cb 0.24 -0.05 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 3h94 s ASP 142 CO -0.12 -0.26 0.64 -0.54 0.21 0.00 0.00 175.17 175.11 3h94 s LYS 143 N -3.53 4.35 0.17 8.23 -0.14 -1.26 -3.32 119.74 124.24 3h94 s LYS 143 Ca 0.17 0.73 0.03 0.00 -1.36 0.00 0.00 55.97 55.53 3h94 s LYS 143 Cb 0.00 -3.49 -0.05 0.00 -1.68 0.00 0.00 37.83 32.62 3h94 s LYS 143 CO 0.02 -0.02 -0.04 0.14 -0.76 0.00 0.00 175.35 174.69 3h94 s VAL 144 N 1.15 0.94 -0.04 3.17 -7.23 0.28 -5.00 120.40 113.67 3h94 s VAL 144 Ca 0.33 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3h94 s VAL 144 Cb -0.17 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.78 3h94 s VAL 144 CO 0.14 -0.59 0.04 -1.10 -0.31 0.00 0.00 175.10 173.29 3h94 s GLN 145 N -3.83 -0.01 -1.01 4.82 -0.21 -1.26 0.18 119.66 118.34 3h94 s GLN 145 Ca 0.21 0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.88 3h94 s GLN 145 Cb 0.05 -0.45 0.00 0.00 1.00 0.00 0.00 33.01 33.60 3h94 s GLN 145 CO 0.03 -0.27 0.00 1.17 -2.12 0.00 0.00 175.29 174.10 3h94 n LYS 146 N 4.89 -1.40 -3.70 2.91 4.81 0.29 -0.69 118.16 125.28 3h94 n LYS 146 Ca -0.12 0.56 -0.28 0.00 -0.87 0.00 0.00 58.31 57.61 3h94 n LYS 146 Cb 0.50 -4.81 0.02 0.00 0.02 0.00 0.00 35.03 30.76 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 -0.27 -1.10 0.00 3.14 0.00 0.88 -3.69 105.19 104.15 3h94 n GLY 147 Ca -0.10 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.51 0.00 -2.67 2.61 -2.24 0.14 -0.29 114.28 108.31 3h94 n THR 148 Ca -0.15 0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 61.58 3h94 n THR 148 Cb 0.60 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 3h94 n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3h94 s PRO 149 N 0.00 3.81 0.00 -0.78 0.04 -1.26 -4.34 135.00 132.46 3h94 s PRO 149 Ca 0.00 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3h94 s PRO 149 Cb 0.00 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.69 3h94 s PRO 149 CO 0.00 -1.17 0.01 -0.11 0.04 0.00 0.00 177.00 175.78 3h94 n LEU 150 N 7.33 0.03 0.00 -3.56 0.00 -0.92 -4.90 117.00 114.98 3h94 n LEU 150 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 56.01 55.74 3h94 n LEU 150 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.90 3h94 n LEU 150 CO 0.65 0.01 0.00 -0.11 0.00 0.00 0.00 177.39 177.94 3h94 n LEU 151 N -0.70 0.00 -3.86 -1.96 0.00 -1.21 -4.76 117.00 104.52 3h94 n LEU 151 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.86 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 -0.37 -1.81 0.00 0.00 0.00 177.39 175.21 3h94 s ASP 152 N 0.00 0.24 0.05 1.96 1.11 -0.75 -0.36 116.67 118.92 3h94 s ASP 152 Ca 0.00 -0.02 0.06 0.00 0.18 0.00 0.00 52.55 52.77 3h94 s ASP 152 Cb 0.00 -0.08 -0.02 0.00 1.07 0.00 0.00 42.92 43.88 3h94 s ASP 152 CO 0.00 -0.04 -0.16 -1.48 1.18 0.00 0.00 175.17 174.67 3h94 s LEU 153 N 0.43 2.20 -0.19 1.23 2.34 -1.04 0.28 118.68 123.93 3h94 s LEU 153 Ca -0.04 -0.52 -0.05 0.00 0.06 0.00 0.00 54.13 53.59 3h94 s LEU 153 Cb -0.06 -0.68 -0.02 0.00 -0.56 0.00 0.00 46.19 44.86 3h94 s LEU 153 CO -0.01 0.04 -0.01 0.42 -1.06 0.00 0.00 176.35 175.73 3h94 s THR 154 N -0.94 3.92 -0.08 5.48 -4.23 -0.77 -2.27 115.64 116.75 3h94 s THR 154 Ca 0.03 -0.33 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 3h94 s THR 154 Cb -0.09 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.99 3h94 s THR 154 CO 0.02 0.45 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.68 3h94 s ILE 155 N 0.83 1.98 0.03 2.99 1.01 -1.13 -3.93 121.20 122.97 3h94 s ILE 155 Ca 0.00 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.47 3h94 s ILE 155 Cb -0.14 -1.70 -0.18 0.00 0.01 0.00 0.00 42.46 40.44 3h94 s ILE 155 CO 0.02 0.54 1.22 -0.65 0.00 0.00 0.00 174.94 176.07 3h94 h PRO 156 N 6.54 0.43 -0.50 2.79 0.11 -1.88 -3.31 132.00 136.18 3h94 h PRO 156 Ca -0.24 -0.33 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3h94 h PRO 156 Cb 1.22 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3h94 h PRO 156 CO 0.47 0.96 0.21 -0.44 -0.21 0.00 0.00 178.00 178.99 3h94 h ASP 157 N -0.01 0.68 -0.79 -2.05 3.45 -1.96 -3.01 116.42 112.72 3h94 h ASP 157 Ca -0.02 -0.16 -0.04 0.00 0.43 0.00 0.00 57.03 57.24 3h94 h ASP 157 Cb 1.02 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.58 3h94 h ASP 157 CO 0.08 0.65 0.35 -0.50 -1.57 0.00 0.00 179.24 178.25 3h94 h TRP 158 N 0.66 1.17 -0.74 4.55 4.06 -1.95 -1.74 115.95 121.96 3h94 h TRP 158 Ca 0.17 -0.07 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 3h94 h TRP 158 Cb 0.18 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 3h94 h TRP 158 CO 0.00 0.87 0.32 -0.39 -3.56 0.00 0.00 178.44 175.68 3h94 h VAL 159 N 1.13 1.25 -0.70 1.49 -1.51 -1.63 -0.11 116.25 116.16 3h94 h VAL 159 Ca 0.27 -0.74 -0.04 0.00 -1.23 0.00 0.00 66.70 64.96 3h94 h VAL 159 Cb 0.17 0.36 -0.03 0.00 -2.13 0.00 0.00 31.29 29.66 3h94 h VAL 159 CO -0.03 0.30 0.28 1.05 -1.23 0.00 0.00 177.57 177.94 3h94 h GLU 160 N 1.05 1.05 -0.76 5.19 -0.00 -1.32 -0.14 114.58 119.65 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 0.31 0.00 -0.00 0.00 0.00 179.01 180.17 3h94 h ALA 161 N 1.13 0.99 -0.76 1.06 0.00 -0.89 -1.49 119.26 119.29 3h94 h ALA 161 Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3h94 h ALA 161 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3h94 h ALA 161 CO -0.02 0.60 0.33 1.96 0.00 0.00 0.00 179.25 182.12 3h94 h GLN 162 N 1.09 1.12 -0.71 0.00 4.20 -0.59 -1.24 115.11 118.99 3h94 h GLN 162 Ca 0.25 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3h94 h GLN 162 Cb 0.20 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3h94 h GLN 162 CO -0.02 0.90 0.30 0.66 -0.67 0.00 0.00 178.83 180.00 3h94 h SER 163 N 1.09 0.97 -0.73 1.46 4.64 -0.51 -0.16 113.55 120.31 3h94 h SER 163 Ca 0.26 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 3h94 h SER 163 Cb 0.18 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 3h94 h SER 163 CO -0.03 0.86 0.31 1.05 -0.87 0.00 0.00 176.83 178.16 3h94 h GLU 164 N 1.01 1.08 -0.78 4.77 -0.00 -0.73 -0.84 114.58 119.09 3h94 h GLU 164 Ca 0.24 -0.18 -0.04 0.00 -0.00 0.00 0.00 59.36 59.38 3h94 h GLU 164 Cb 0.19 -0.18 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 3h94 h GLU 164 CO -0.02 0.87 0.34 -0.92 -0.00 0.00 0.00 179.01 179.28 3h94 h TYR 165 N 1.04 1.16 -0.76 2.06 5.03 -0.72 -1.25 116.97 123.53 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 0.18 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 3h94 h TYR 165 CO 0.01 0.87 0.32 -0.07 -1.32 0.00 0.00 178.16 177.98 3h94 h LEU 166 N 1.12 1.04 -0.74 2.82 3.38 -0.58 -0.73 115.31 121.61 3h94 h LEU 166 Ca 0.26 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 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 0.92 0.31 0.17 0.09 0.00 0.00 178.44 179.90 3h94 h LEU 167 N 1.10 1.02 -0.75 1.67 8.10 -0.69 -0.87 115.31 124.88 3h94 h LEU 167 Ca 0.26 -0.16 -0.04 0.00 0.11 0.00 0.00 57.88 58.05 3h94 h LEU 167 Cb 0.19 -0.26 -0.03 0.00 -0.44 0.00 0.00 40.66 40.11 3h94 h LEU 167 CO -0.02 0.90 0.33 0.25 -4.11 0.00 0.00 178.44 175.79 3h94 h LEU 168 N 1.07 1.01 -0.76 0.17 5.85 -0.65 -1.63 115.31 120.37 3h94 h LEU 168 Ca 0.25 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3h94 h LEU 168 Cb 0.19 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3h94 h LEU 168 CO -0.02 0.89 0.31 -0.09 -0.34 0.00 0.00 178.44 179.19 3h94 h ARG 169 N 1.07 1.13 -0.58 1.25 2.43 -0.60 -3.04 114.38 116.03 3h94 h ARG 169 Ca 0.25 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3h94 h ARG 169 Cb 0.17 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3h94 h ARG 169 CO -0.03 0.91 0.13 0.93 -1.51 0.00 0.00 179.97 180.41 3h94 h GLU 170 N 1.09 0.94 -3.28 0.20 4.39 -0.75 -3.35 114.58 113.82 3h94 h GLU 170 Ca 0.25 -0.23 -0.77 0.00 0.34 0.00 0.00 59.36 58.96 3h94 h GLU 170 Cb 0.20 -0.12 -0.18 0.00 -0.10 0.00 0.00 28.75 28.55 3h94 h GLU 170 CO -0.02 0.87 1.83 0.25 -1.16 0.00 0.00 179.01 180.78 3h94 n THR 171 N -4.36 4.65 0.00 1.13 -2.24 -0.65 -4.95 114.28 107.85 3h94 n THR 171 Ca 0.03 -4.70 0.00 0.00 -2.27 0.00 0.00 64.05 57.11 3h94 n THR 171 Cb 0.25 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.21 3h94 n THR 171 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h94 n GLY 172 N 2.37 0.00 3.29 3.38 0.00 -1.26 -4.89 105.19 108.09 3h94 n GLY 172 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 3h94 n GLY 172 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h94 s GLY 173 N 0.00 -0.25 -0.19 -0.02 0.00 -1.24 -5.03 107.32 100.59 3h94 s GLY 173 Ca 0.00 0.64 -0.39 0.00 0.00 0.00 0.00 44.72 44.97 3h94 s GLY 173 CO 0.00 0.42 1.63 -1.30 0.00 0.00 0.00 173.10 173.85 3h94 n THR 174 N 1.52 0.22 -0.23 0.90 -2.24 -1.26 -4.81 114.28 108.38 3h94 n THR 174 Ca -0.20 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 3h94 n THR 174 Cb 0.56 -1.10 0.03 0.00 -2.10 0.00 0.00 70.33 67.72 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 6.47 0.84 -0.74 6.98 0.00 -1.99 -1.71 119.26 129.11 3h94 h ALA 175 Ca -0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 3h94 h ALA 175 Cb 1.32 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3h94 h ALA 175 CO 0.91 0.56 0.33 1.79 0.00 0.00 0.00 179.25 182.84 3h94 h THR 176 N 0.95 1.25 -0.74 0.00 1.35 -1.99 -0.36 112.91 113.37 3h94 h THR 176 Ca 0.20 -0.74 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 3h94 h THR 176 Cb 0.37 0.35 -0.03 0.00 -1.73 0.00 0.00 68.15 67.11 3h94 h THR 176 CO 0.00 0.30 0.30 -0.61 -0.25 0.00 0.00 175.52 175.27 3h94 h GLN 177 N 1.06 1.10 -0.74 4.72 5.75 -1.83 0.06 115.11 125.22 3h94 h GLN 177 Ca 0.25 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3h94 h GLN 177 Cb 0.17 -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 0.30 1.79 -2.65 0.00 0.00 178.83 179.14 3h94 h THR 178 N 1.06 1.25 -0.78 2.39 1.35 -0.93 -0.85 112.91 116.41 3h94 h THR 178 Ca 0.25 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 3h94 h THR 178 Cb 0.20 0.37 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 3h94 h THR 178 CO -0.02 0.32 0.32 -0.08 -0.25 0.00 0.00 175.52 175.80 3h94 h GLU 179 N 1.07 1.16 -0.75 4.72 4.57 -0.58 -0.75 114.58 124.01 3h94 h GLU 179 Ca 0.25 -0.21 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3h94 h GLU 179 Cb 0.20 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3h94 h GLU 179 CO -0.02 0.94 0.31 0.78 -1.18 0.00 0.00 179.01 179.84 3h94 h GLY 180 N 1.13 1.20 1.03 1.92 0.00 -0.43 0.02 103.07 107.93 3h94 h GLY 180 Ca 0.26 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 3h94 h GLY 180 CO -0.02 0.61 0.31 1.19 0.00 0.00 0.00 176.54 178.63 3h94 h ILE 181 N 1.08 1.25 -0.78 2.60 2.10 -0.63 -0.41 117.51 122.71 3h94 h ILE 181 Ca 0.25 -0.76 -0.04 0.00 1.08 0.00 0.00 64.86 65.39 3h94 h ILE 181 Cb 0.20 0.37 -0.03 0.00 -1.09 0.00 0.00 36.82 36.26 3h94 h ILE 181 CO -0.02 0.31 0.33 -0.07 -1.08 0.00 0.00 178.15 177.61 3h94 h LEU 182 N 1.06 1.06 -0.76 2.19 4.07 -0.60 -0.73 115.31 121.59 3h94 h LEU 182 Ca 0.25 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 58.00 3h94 h LEU 182 Cb 0.19 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3h94 h LEU 182 CO -0.02 0.93 0.32 -0.08 -1.08 0.00 0.00 178.44 178.51 3h94 h GLU 183 N 1.12 1.13 -0.76 1.13 4.22 -0.50 -0.33 114.58 120.58 3h94 h GLU 183 Ca 0.26 -0.20 -0.04 0.00 0.08 0.00 0.00 59.36 59.46 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 -0.02 0.91 0.31 0.00 -2.18 0.00 0.00 179.01 178.03 3h94 h ARG 184 N 1.09 1.13 -0.77 1.92 3.08 -0.53 -0.24 114.38 120.05 3h94 h ARG 184 Ca 0.26 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3h94 h ARG 184 Cb 0.19 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3h94 h ARG 184 CO -0.02 0.91 0.32 1.25 -1.07 0.00 0.00 179.97 181.36 3h94 h LEU 185 N 1.09 1.05 -0.77 3.04 5.85 -0.57 -0.58 115.31 124.42 3h94 h LEU 185 Ca 0.25 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3h94 h LEU 185 Cb 0.20 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3h94 h LEU 185 CO -0.02 0.93 0.32 -0.09 -0.34 0.00 0.00 178.44 179.24 3h94 h ARG 186 N 1.11 1.14 -0.79 1.25 2.43 -0.53 -0.27 114.38 118.73 3h94 h ARG 186 Ca 0.26 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3h94 h ARG 186 Cb 0.20 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3h94 h ARG 186 CO -0.02 0.92 0.32 1.37 -1.51 0.00 0.00 179.97 181.05 3h94 h LEU 187 N 1.11 1.08 -0.82 3.80 8.10 -0.56 -2.38 115.31 125.64 3h94 h LEU 187 Ca 0.26 -0.17 -0.04 0.00 0.11 0.00 0.00 57.88 58.04 3h94 h LEU 187 Cb 0.19 -0.28 -0.04 0.00 -0.44 0.00 0.00 40.66 40.10 3h94 h LEU 187 CO -0.02 0.95 0.37 0.00 -4.11 0.00 0.00 178.44 175.63 3h94 h ALA 188 N 1.17 1.06 0.00 0.17 0.00 -0.51 -3.47 119.26 117.68 3h94 h ALA 188 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h94 h ALA 188 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3h94 h ALA 188 CO -0.02 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3h94 n GLY 189 N -0.96 0.42 3.64 0.00 0.00 -0.18 -4.64 105.19 103.47 3h94 n GLY 189 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.50 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 0.55 -1.37 1.61 2.81 -0.80 -4.88 117.12 115.04 3h94 n MET 190 Ca 0.00 0.20 -0.48 0.00 -1.81 0.00 0.00 57.70 55.61 3h94 n MET 190 Cb 0.00 -1.78 -0.04 0.00 -0.71 0.00 0.00 33.22 30.69 3h94 n MET 190 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3h94 n PRO 191 N 3.33 0.00 -0.11 0.03 -0.02 -1.26 -4.72 135.00 132.25 3h94 n PRO 191 Ca 0.24 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.59 3h94 n PRO 191 Cb 0.08 -1.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 3h94 n PRO 191 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3h94 h GLU 192 N 1.30 0.84 -0.77 -0.52 4.22 -1.99 -2.82 114.58 114.83 3h94 h GLU 192 Ca -0.31 -0.44 -0.04 0.00 0.08 0.00 0.00 59.36 58.65 3h94 h GLU 192 Cb 1.40 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 3h94 h GLU 192 CO 0.57 1.08 0.34 0.00 -2.18 0.00 0.00 179.01 178.82 3h94 h ALA 193 N 0.74 1.00 -0.76 2.92 0.00 -1.99 -0.60 119.26 120.58 3h94 h ALA 193 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3h94 h ALA 193 Cb 0.93 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3h94 h ALA 193 CO 0.09 0.60 0.31 -0.44 0.00 0.00 0.00 179.25 179.80 3h94 h ASP 194 N 1.10 1.03 -0.72 0.00 5.19 -1.92 -0.64 116.42 120.47 3h94 h ASP 194 Ca 0.26 -0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3h94 h ASP 194 Cb 0.17 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.38 3h94 h ASP 194 CO -0.03 0.92 0.31 0.40 -3.12 0.00 0.00 179.24 177.72 3h94 h ILE 195 N 1.09 1.24 -0.71 0.35 2.04 -1.13 -0.49 117.51 119.90 3h94 h ILE 195 Ca 0.25 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3h94 h ILE 195 Cb 0.20 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3h94 h ILE 195 CO -0.02 0.30 0.28 0.03 0.00 0.00 0.00 178.15 178.74 3h94 h ARG 196 N 1.02 1.06 -0.73 2.37 3.08 -0.58 -0.62 114.38 119.97 3h94 h ARG 196 Ca 0.24 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3h94 h ARG 196 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3h94 h ARG 196 CO -0.02 0.87 0.30 0.00 -1.07 0.00 0.00 179.97 180.04 3h94 h ARG 197 N 1.01 1.10 -0.70 0.04 3.08 -0.65 -0.52 114.38 117.73 3h94 h ARG 197 Ca 0.24 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 3h94 h ARG 197 Cb 0.21 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3h94 h ARG 197 CO -0.02 0.90 0.28 1.25 -1.07 0.00 0.00 179.97 181.31 3h94 h LEU 198 N 1.05 0.97 -0.75 3.04 5.85 -0.64 -0.68 115.31 124.15 3h94 h LEU 198 Ca 0.24 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3h94 h LEU 198 Cb 0.21 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3h94 h LEU 198 CO -0.02 0.87 0.32 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 1.08 -0.67 2.50 117.51 125.96 3h94 h ILE 199 Ca 0.23 -0.76 -0.04 0.00 -0.39 0.00 0.00 64.86 63.90 3h94 h ILE 199 Cb 0.21 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 3h94 h ILE 199 CO -0.02 0.31 0.31 0.00 -0.69 0.00 0.00 178.15 178.07 3h94 h ALA 200 N 1.16 0.99 0.00 1.87 0.00 -0.57 -3.33 119.26 119.37 3h94 h ALA 200 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h94 h ALA 200 Cb 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3h94 h ALA 200 CO -0.02 0.61 -1.18 0.25 0.00 0.00 0.00 179.25 178.90 3h94 n THR 201 N -4.32 0.00 -0.60 0.00 -2.24 -0.31 -4.98 114.28 101.83 3h94 n THR 201 Ca 0.07 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3h94 n THR 201 Cb 0.18 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.68 0.00 0.00 -0.78 7.27 0.84 -4.88 117.38 118.15 3h94 n GLN 202 Ca -0.01 0.00 0.04 0.00 0.07 0.00 0.00 57.00 57.10 3h94 n GLN 202 Cb 0.23 -2.71 0.23 0.00 2.41 0.00 0.00 30.24 30.39 3h94 n GLN 202 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3h94 n LYS 203 N -2.00 0.24 0.00 3.69 0.00 -1.25 -4.92 118.16 113.92 3h94 n LYS 203 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3h94 n LYS 203 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 3h94 n LYS 203 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3h94 n ILE 204 N -1.00 0.00 -5.02 3.15 2.08 -1.26 -4.96 119.36 112.34 3h94 n ILE 204 Ca 0.06 0.00 -0.30 0.00 0.56 0.00 0.00 62.75 63.07 3h94 n ILE 204 Cb 0.03 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 38.75 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 -3.43 2.60 0.00 0.38 -1.52 -1.26 -4.91 119.66 111.51 3h94 s GLN 205 Ca 0.00 -0.74 0.00 0.00 -1.95 0.00 0.00 55.36 52.67 3h94 s GLN 205 Cb 0.00 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 3h94 s GLN 205 CO 0.00 0.14 0.00 -2.37 -0.25 0.00 0.00 175.29 172.81 3h94 n THR 206 N 3.57 0.00 -5.21 -0.19 5.66 -1.26 -4.33 114.28 112.52 3h94 n THR 206 Ca -0.20 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.48 3h94 n THR 206 Cb 0.53 -0.79 -0.17 0.00 -1.55 0.00 0.00 70.33 68.34 3h94 n THR 206 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h94 s ARG 207 N 0.00 2.90 0.24 1.09 1.70 -1.26 -2.83 118.95 120.79 3h94 s ARG 207 Ca 0.00 -0.87 0.10 0.00 -0.47 0.00 0.00 55.73 54.49 3h94 s ARG 207 Cb 0.00 -2.25 -0.05 0.00 -0.57 0.00 0.00 34.95 32.09 3h94 s ARG 207 CO 0.00 0.22 -0.12 -0.06 -1.08 0.00 0.00 175.30 174.26 3h94 s PHE 208 N 0.23 2.50 0.79 5.89 0.40 -0.96 -4.89 117.98 121.94 3h94 s PHE 208 Ca -0.15 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 55.78 3h94 s PHE 208 Cb -0.17 -1.14 0.07 0.00 0.51 0.00 0.00 43.02 42.28 3h94 s PHE 208 CO 0.08 0.61 1.12 0.95 0.70 0.00 0.00 175.22 178.68 3h94 s THR 209 N -2.15 2.79 -0.14 0.64 -4.23 -1.26 -2.48 115.64 108.80 3h94 s THR 209 Ca 0.28 0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3h94 s THR 209 Cb -0.07 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 3h94 s THR 209 CO 0.16 -0.33 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.62 3h94 s LEU 210 N -5.66 3.10 -0.11 4.79 1.98 0.52 -4.93 118.68 118.38 3h94 s LEU 210 Ca 0.61 -0.18 -0.01 0.00 -2.89 0.00 0.00 54.13 51.66 3h94 s LEU 210 Cb -0.13 -1.73 -0.03 0.00 0.66 0.00 0.00 46.19 44.97 3h94 s LEU 210 CO 0.52 0.18 -0.07 -0.54 -1.89 0.00 0.00 176.35 174.55 3h94 s LYS 211 N 0.28 3.15 -0.16 1.98 1.02 -1.26 -2.16 119.74 122.59 3h94 s LYS 211 Ca -0.05 -0.57 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 3h94 s LYS 211 Cb -0.14 -2.69 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 3h94 s LYS 211 CO 0.04 0.45 0.96 0.00 -0.92 0.00 0.00 175.35 175.87 3h94 s ALA 212 N -0.23 3.51 0.24 5.17 0.00 0.60 -4.91 121.76 126.14 3h94 s ALA 212 Ca 0.03 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 3h94 s ALA 212 Cb -0.13 -3.40 0.42 0.00 0.00 0.00 0.00 23.12 20.01 3h94 s ALA 212 CO 0.03 -0.73 1.72 -1.35 0.00 0.00 0.00 175.76 175.43 3h94 h PRO 213 N 7.26 0.38 -5.84 0.00 0.11 -1.87 0.25 132.00 132.29 3h94 h PRO 213 Ca -0.27 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.23 3h94 h PRO 213 Cb 1.12 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.07 3h94 h PRO 213 CO 0.88 0.25 -0.41 0.96 -0.21 0.00 0.00 178.00 179.47 3h94 s ILE 214 N -6.04 1.92 -0.18 4.15 -4.36 -1.26 -4.35 121.20 111.08 3h94 s ILE 214 Ca -0.13 -1.62 -0.16 0.00 -0.26 0.00 0.00 60.65 58.48 3h94 s ILE 214 Cb 0.20 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 3h94 s ILE 214 CO 0.76 0.00 0.39 -1.81 0.24 0.00 0.00 174.94 174.52 3h94 s ASP 215 N -4.07 6.47 0.00 4.36 -0.00 -1.26 0.11 116.67 122.27 3h94 s ASP 215 Ca 0.34 0.55 0.00 0.00 -0.00 0.00 0.00 52.55 53.44 3h94 s ASP 215 Cb 0.00 -2.23 0.00 0.00 -0.00 0.00 0.00 42.92 40.69 3h94 s ASP 215 CO 0.20 -0.04 0.00 0.61 -0.00 0.00 0.00 175.17 175.93 3h94 n GLY 216 N 3.76 1.08 3.41 0.21 0.00 0.13 -4.75 105.19 109.02 3h94 n GLY 216 Ca -0.09 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.30 1.99 -0.16 1.61 1.01 0.15 -0.56 120.40 122.14 3h94 s VAL 217 Ca 0.00 -2.26 -0.04 0.00 0.00 0.00 0.00 61.98 59.67 3h94 s VAL 217 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3h94 s VAL 217 CO 0.00 -0.46 -0.01 -0.63 0.00 0.00 0.00 175.10 173.99 3h94 s ILE 218 N -2.81 4.11 -0.28 2.22 1.09 -1.21 0.39 121.20 124.71 3h94 s ILE 218 Ca 0.27 -0.28 -0.08 0.00 -1.10 0.00 0.00 60.65 59.45 3h94 s ILE 218 Cb -0.01 -2.81 -0.02 0.00 -1.06 0.00 0.00 42.46 38.56 3h94 s ILE 218 CO 0.11 0.49 0.11 0.42 -0.10 0.00 0.00 174.94 175.97 3h94 s THR 219 N 0.31 4.43 0.00 2.92 -4.23 0.29 -4.45 115.64 114.91 3h94 s THR 219 Ca -0.02 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3h94 s THR 219 Cb -0.14 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.53 3h94 s THR 219 CO 0.02 0.20 0.00 0.00 -0.54 0.00 0.00 174.62 174.31 3h94 n ALA 220 N 4.95 -2.64 -1.62 3.99 0.00 -1.26 -3.44 120.51 120.48 3h94 n ALA 220 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3h94 n ALA 220 Cb 0.50 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3h94 n ALA 220 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3h94 n PHE 221 N 0.34 0.00 0.00 0.00 -0.00 -1.26 -1.79 117.46 114.76 3h94 n PHE 221 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3h94 n PHE 221 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 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 0.00 0.00 -4.68 -2.13 -0.08 -1.26 -4.83 116.55 103.57 3h94 n ASP 222 Ca 0.00 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.83 3h94 n ASP 222 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 3h94 n ASP 222 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3h94 n LEU 223 N 0.00 3.23 -3.84 -2.67 4.32 -1.26 -4.98 117.00 111.80 3h94 n LEU 223 Ca 0.00 1.10 -0.09 0.00 -0.02 0.00 0.00 56.01 56.99 3h94 n LEU 223 Cb 0.00 -1.45 -0.04 0.00 -1.62 0.00 0.00 43.42 40.31 3h94 n LEU 223 CO 0.00 -0.27 0.23 0.00 -1.22 0.00 0.00 177.39 176.13 3h94 s ARG 224 N 0.61 1.42 -1.18 3.23 3.03 -1.26 -5.01 118.95 119.79 3h94 s ARG 224 Ca 0.76 -1.00 -0.00 0.00 2.03 0.00 0.00 55.73 57.51 3h94 s ARG 224 Cb -0.65 0.50 0.00 0.00 -1.03 0.00 0.00 34.95 33.77 3h94 s ARG 224 CO 0.40 -0.59 0.99 0.00 -1.13 0.00 0.00 175.30 174.96 3h94 n ALA 225 N -0.34 -1.97 -1.70 7.88 0.00 -1.26 -4.58 120.51 118.53 3h94 n ALA 225 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3h94 n ALA 225 Cb 0.62 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.15 0.91 3.97 0.00 0.00 -1.15 -5.00 105.19 102.78 3h94 n GLY 226 Ca -0.28 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.37 2.41 -0.11 1.61 -1.94 -1.26 -4.72 119.30 111.92 3h94 s MET 227 Ca 0.00 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 3h94 s MET 227 Cb 0.00 -2.45 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 3h94 s MET 227 CO 0.00 -0.84 -0.12 0.54 -0.01 0.00 0.00 175.02 174.59 3h94 s ASN 228 N -4.47 4.15 0.11 3.03 4.22 -1.25 0.59 114.94 121.32 3h94 s ASN 228 Ca 0.59 -0.26 0.04 0.00 -2.14 0.00 0.00 52.86 51.09 3h94 s ASN 228 Cb -0.10 -1.47 -0.04 0.00 1.28 0.00 0.00 41.25 40.93 3h94 s ASN 228 CO 0.40 0.21 0.08 -0.63 -2.04 0.00 0.00 177.10 175.12 3h94 s ILE 229 N 0.08 4.40 0.29 0.54 1.09 1.50 -4.91 121.20 124.19 3h94 s ILE 229 Ca -0.05 -0.93 0.02 0.00 -1.10 0.00 0.00 60.65 58.59 3h94 s ILE 229 Cb -0.14 -3.16 -0.05 0.00 -1.06 0.00 0.00 42.46 38.05 3h94 s ILE 229 CO 0.04 0.04 0.11 0.00 -0.10 0.00 0.00 174.94 175.03 3h94 s ALA 230 N -1.51 1.93 0.00 9.38 0.00 -1.26 -0.21 121.76 130.09 3h94 s ALA 230 Ca 0.29 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.44 3h94 s ALA 230 Cb -0.11 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.03 3h94 s ALA 230 CO 0.22 -0.45 0.00 0.36 0.00 0.00 0.00 175.76 175.89 3h94 n LYS 231 N -0.55 0.00 -3.85 0.00 2.85 -0.98 -1.11 118.16 114.52 3h94 n LYS 231 Ca -0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 3h94 n LYS 231 Cb 0.66 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.88 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 -2.92 3.87 0.43 -5.58 1.11 -1.18 -1.70 116.67 110.69 3h94 s ASP 232 Ca 0.00 -1.39 0.07 0.00 0.18 0.00 0.00 52.55 51.42 3h94 s ASP 232 Cb 0.00 -1.04 -0.03 0.00 1.07 0.00 0.00 42.92 42.92 3h94 s ASP 232 CO 0.00 -0.32 0.31 0.20 1.18 0.00 0.00 175.17 176.54 3h94 s ASN 233 N 1.48 4.79 -0.35 0.27 0.01 -0.27 -4.78 114.94 116.10 3h94 s ASN 233 Ca 0.02 -0.91 -0.15 0.00 -0.71 0.00 0.00 52.86 51.11 3h94 s ASN 233 Cb -0.18 -0.44 -0.01 0.00 0.41 0.00 0.00 41.25 41.03 3h94 s ASN 233 CO -0.13 -0.66 0.33 0.54 -1.51 0.00 0.00 177.10 175.67 3h94 s VAL 234 N -2.55 5.20 -1.96 1.60 0.11 -1.26 -2.08 120.40 119.47 3h94 s VAL 234 Ca 0.44 -0.05 0.21 0.00 -2.93 0.00 0.00 61.98 59.65 3h94 s VAL 234 Cb -0.01 -3.80 0.01 0.00 -1.53 0.00 0.00 36.38 31.05 3h94 s VAL 234 CO 0.25 -0.09 1.03 1.33 -3.33 0.00 0.00 175.10 174.30 3h94 n VAL 235 N 5.21 0.00 0.00 2.04 0.24 0.26 -4.98 118.33 121.09 3h94 n VAL 235 Ca -0.10 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3h94 n VAL 235 Cb 0.49 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3h94 n VAL 235 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h94 n ALA 236 N 0.08 0.00 -3.66 2.33 0.00 -1.04 -4.78 120.51 113.44 3h94 n ALA 236 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 3h94 n ALA 236 Cb 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.72 3h94 n ALA 236 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3h94 s LYS 237 N -2.00 1.32 -0.06 0.00 1.02 -0.74 0.10 119.74 119.39 3h94 s LYS 237 Ca 0.00 -0.24 0.05 0.00 0.02 0.00 0.00 55.97 55.80 3h94 s LYS 237 Cb 0.00 -1.27 -0.01 0.00 -0.52 0.00 0.00 37.83 36.03 3h94 s LYS 237 CO 0.00 -0.12 -0.22 0.42 -0.92 0.00 0.00 175.35 174.51 3h94 s ILE 238 N 1.16 1.80 0.26 2.17 1.01 -0.94 0.10 121.20 126.77 3h94 s ILE 238 Ca -0.06 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.72 3h94 s ILE 238 Cb -0.14 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3h94 s ILE 238 CO -0.02 0.51 0.39 -1.10 0.00 0.00 0.00 174.94 174.72 3h94 s GLN 239 N 0.00 3.39 0.28 2.79 -1.52 1.25 -2.34 119.66 123.51 3h94 s GLN 239 Ca -0.06 -0.77 0.03 0.00 -1.95 0.00 0.00 55.36 52.62 3h94 s GLN 239 Cb -0.14 -2.86 -0.06 0.00 -0.22 0.00 0.00 33.01 29.74 3h94 s GLN 239 CO 0.04 0.35 0.04 0.20 -0.25 0.00 0.00 175.29 175.66 3h94 s GLY 240 N -4.02 1.85 0.00 3.09 0.00 -0.82 0.29 107.32 107.72 3h94 s GLY 240 Ca 0.36 -1.93 0.18 0.00 0.00 0.00 0.00 44.72 43.32 3h94 s GLY 240 CO 0.30 -1.74 1.10 1.15 0.00 0.00 0.00 173.10 173.92 3h94 n MET 241 N -0.56 0.00 -0.12 2.90 0.00 -1.26 -4.52 117.12 113.56 3h94 n MET 241 Ca -0.03 -1.65 -0.12 0.00 0.00 0.00 0.00 57.70 55.90 3h94 n MET 241 Cb 0.66 0.10 -0.00 0.00 0.00 0.00 0.00 33.22 33.97 3h94 n MET 241 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3h94 h ASP 242 N 0.67 0.97 -3.45 3.17 3.32 -1.95 -3.39 116.42 115.76 3h94 h ASP 242 Ca -0.30 -0.42 -0.50 0.00 0.02 0.00 0.00 57.03 55.83 3h94 h ASP 242 Cb 1.73 -0.27 0.01 0.00 0.22 0.00 0.00 39.33 41.02 3h94 h ASP 242 CO -0.01 1.21 0.02 -2.84 -1.72 0.00 0.00 179.24 175.91 3h94 s PRO 243 N -4.44 3.64 0.13 3.56 0.02 -1.26 0.42 135.00 137.06 3h94 s PRO 243 Ca -0.11 0.19 0.06 0.00 0.02 0.00 0.00 61.00 61.17 3h94 s PRO 243 Cb 0.12 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 3h94 s PRO 243 CO 0.87 -0.02 -0.14 0.54 -0.33 0.00 0.00 177.00 177.93 3h94 s VAL 244 N -2.42 1.36 -0.16 3.83 0.11 0.22 -4.58 120.40 118.76 3h94 s VAL 244 Ca 0.47 -1.75 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 3h94 s VAL 244 Cb -0.10 -1.57 0.02 0.00 -1.53 0.00 0.00 36.38 33.20 3h94 s VAL 244 CO 0.36 -0.42 -0.18 0.26 -3.33 0.00 0.00 175.10 171.79 3h94 s TRP 245 N -2.18 2.49 -0.14 1.54 0.52 0.37 -0.90 118.94 120.63 3h94 s TRP 245 Ca 0.10 -1.40 -0.01 0.00 0.02 0.00 0.00 56.10 54.80 3h94 s TRP 245 Cb -0.05 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.50 3h94 s TRP 245 CO 0.03 -0.70 -0.10 0.14 0.02 0.00 0.00 176.95 176.34 3h94 s VAL 246 N 1.26 3.35 -0.05 4.03 -7.23 -0.61 0.33 120.40 121.48 3h94 s VAL 246 Ca 0.02 -0.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 3h94 s VAL 246 Cb -0.13 -2.43 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 3h94 s VAL 246 CO -0.10 0.51 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.15 3h94 s THR 247 N 0.34 1.40 0.10 5.32 2.01 -0.49 -1.24 115.64 123.07 3h94 s THR 247 Ca -0.08 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.30 3h94 s THR 247 Cb -0.15 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3h94 s THR 247 CO 0.05 0.41 -0.17 0.00 -0.69 0.00 0.00 174.62 174.21 3h94 s ALA 248 N 0.17 1.53 0.02 7.40 0.00 -0.84 -2.66 121.76 127.38 3h94 s ALA 248 Ca -0.07 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 3h94 s ALA 248 Cb -0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 3h94 s ALA 248 CO 0.03 0.25 0.63 0.00 0.00 0.00 0.00 175.76 176.67 3h94 s ALA 249 N -1.37 3.48 0.36 0.00 0.00 -1.26 -0.88 121.76 122.08 3h94 s ALA 249 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.14 3h94 s ALA 249 Cb -0.09 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 3h94 s ALA 249 CO 0.03 0.18 0.05 0.42 0.00 0.00 0.00 175.76 176.44 3h94 s ILE 250 N -0.33 1.37 -0.07 0.00 -1.09 0.49 -4.89 121.20 116.69 3h94 s ILE 250 Ca 0.32 -2.00 -0.02 0.00 -2.23 0.00 0.00 60.65 56.72 3h94 s ILE 250 Cb -0.19 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 3h94 s ILE 250 CO 0.19 0.00 0.03 -2.84 -1.23 0.00 0.00 174.94 171.09 3h94 s PRO 251 N -3.83 3.03 0.28 2.79 0.02 -1.26 -0.11 135.00 135.92 3h94 s PRO 251 Ca 0.34 -0.40 0.01 0.00 0.02 0.00 0.00 61.00 60.97 3h94 s PRO 251 Cb 0.08 -2.84 0.64 0.00 0.02 0.00 0.00 34.50 32.41 3h94 s PRO 251 CO 0.16 0.70 1.70 1.05 -0.33 0.00 0.00 177.00 180.28 3h94 h GLU 252 N 4.94 0.39 -0.69 5.54 4.11 -1.85 -0.84 114.58 126.16 3h94 h GLU 252 Ca -0.51 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 58.87 3h94 h GLU 252 Cb 1.19 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 3h94 h GLU 252 CO 0.56 0.25 0.33 0.66 0.07 0.00 0.00 179.01 180.88 3h94 h SER 253 N 0.40 0.91 -0.71 3.06 4.64 -1.96 -1.09 113.55 118.80 3h94 h SER 253 Ca 0.51 -0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 3h94 h SER 253 Cb 0.93 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 3h94 h SER 253 CO -0.51 0.79 0.29 0.40 -0.87 0.00 0.00 176.83 176.94 3h94 h ILE 254 N 0.97 1.25 -0.74 0.95 2.04 -1.65 -1.79 117.51 118.53 3h94 h ILE 254 Ca 0.24 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 3h94 h ILE 254 Cb 0.13 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 3h94 h ILE 254 CO -0.03 0.32 0.34 0.00 0.00 0.00 0.00 178.15 178.78 3h94 h ALA 255 N 1.25 0.95 -0.85 1.87 0.00 -0.43 -0.00 119.26 122.06 3h94 h ALA 255 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3h94 h ALA 255 Cb 0.21 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3h94 h ALA 255 CO -0.02 0.53 0.40 0.11 0.00 0.00 0.00 179.25 180.27 3h94 h TRP 256 N 1.04 1.23 -0.40 0.00 -0.00 -0.65 -2.92 115.95 114.26 3h94 h TRP 256 Ca 0.25 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.89 59.01 3h94 h TRP 256 Cb 0.14 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 28.91 3h94 h TRP 256 CO 0.01 0.90 -0.03 -0.07 -0.00 0.00 0.00 178.44 179.25 3h94 h LEU 257 N 1.21 0.63 -0.66 0.11 -0.00 -0.65 -3.40 115.31 112.56 3h94 h LEU 257 Ca 0.29 -0.15 0.14 0.00 -0.00 0.00 0.00 57.88 58.16 3h94 h LEU 257 Cb 0.14 -0.17 -0.11 0.00 -0.00 0.00 0.00 40.66 40.52 3h94 h LEU 257 CO -0.03 0.72 0.01 0.58 -0.00 0.00 0.00 178.44 179.71 3h94 h VAL 258 N 0.61 0.46 0.00 1.22 2.07 -0.81 -3.47 116.25 116.33 3h94 h VAL 258 Ca 0.12 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3h94 h VAL 258 Cb 0.43 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3h94 h VAL 258 CO 0.02 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3h94 n LYS 259 N -5.29 -0.49 -3.59 1.57 5.02 -1.26 -4.93 118.16 109.19 3h94 n LYS 259 Ca 0.10 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.35 3h94 n LYS 259 Cb 0.39 -1.08 -0.02 0.00 -0.02 0.00 0.00 35.03 34.29 3h94 n LYS 259 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h94 s ASP 260 N 0.00 -0.17 0.35 4.39 1.01 -1.26 -5.04 116.67 115.95 3h94 s ASP 260 Ca 0.00 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.27 3h94 s ASP 260 Cb 0.00 0.20 0.65 0.00 1.01 0.00 0.00 42.92 44.78 3h94 s ASP 260 CO 0.00 -0.33 1.94 0.00 0.21 0.00 0.00 175.17 176.99 3h94 h ALA 261 N 2.00 1.47 -0.61 5.23 0.00 -1.96 -3.30 119.26 122.10 3h94 h ALA 261 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3h94 h ALA 261 Cb 1.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3h94 h ALA 261 CO 0.25 0.40 0.40 0.66 0.00 0.00 0.00 179.25 180.96 3h94 h SER 262 N 0.61 0.70 0.00 0.00 4.64 -1.98 -2.35 113.55 115.17 3h94 h SER 262 Ca 0.15 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3h94 h SER 262 Cb 0.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3h94 h SER 262 CO -0.01 0.51 0.00 0.00 -0.87 0.00 0.00 176.83 176.46 3h94 n GLN 263 N -4.44 0.88 -3.82 4.77 6.02 -1.24 -4.65 117.38 114.90 3h94 n GLN 263 Ca 0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.69 3h94 n GLN 263 Cb 0.05 -1.18 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 3h94 n GLN 263 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3h94 s PHE 264 N -2.00 3.03 -0.10 1.08 2.99 -0.88 -2.72 117.98 119.37 3h94 s PHE 264 Ca 0.15 -0.65 0.03 0.00 0.00 0.00 0.00 56.93 56.46 3h94 s PHE 264 Cb 0.07 -2.18 0.00 0.00 0.00 0.00 0.00 43.02 40.91 3h94 s PHE 264 CO 0.12 -0.44 -0.21 0.99 -0.00 0.00 0.00 175.22 175.67 3h94 s THR 265 N 1.56 1.89 -0.22 0.64 2.01 -0.88 -4.98 115.64 115.65 3h94 s THR 265 Ca 0.06 -0.91 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 3h94 s THR 265 Cb -0.15 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.71 3h94 s THR 265 CO 0.01 0.52 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.18 3h94 s LEU 266 N 0.51 2.85 -0.07 4.42 1.98 -1.26 0.67 118.68 127.78 3h94 s LEU 266 Ca -0.16 -0.44 0.04 0.00 -2.89 0.00 0.00 54.13 50.69 3h94 s LEU 266 Cb -0.17 -1.71 -0.00 0.00 0.66 0.00 0.00 46.19 44.97 3h94 s LEU 266 CO 0.06 -0.03 -0.20 0.28 -1.89 0.00 0.00 176.35 174.57 3h94 s THR 267 N 1.46 1.72 -0.04 3.68 -1.32 -0.04 -4.68 115.64 116.43 3h94 s THR 267 Ca 0.05 -0.85 0.05 0.00 -1.21 0.00 0.00 61.69 59.74 3h94 s THR 267 Cb -0.14 -1.49 -0.01 0.00 -1.51 0.00 0.00 72.50 69.35 3h94 s THR 267 CO -0.04 0.49 -0.20 0.68 -2.21 0.00 0.00 174.62 173.33 3h94 s VAL 268 N 0.23 1.62 0.24 5.08 -7.23 -1.26 0.09 120.40 119.16 3h94 s VAL 268 Ca -0.11 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.16 3h94 s VAL 268 Cb -0.15 -1.37 0.21 0.00 0.56 0.00 0.00 36.38 35.63 3h94 s VAL 268 CO 0.05 0.46 1.71 -0.65 -0.31 0.00 0.00 175.10 176.36 3h94 h PRO 269 N 5.98 0.34 -5.96 4.82 0.11 -1.93 -3.33 132.00 132.03 3h94 h PRO 269 Ca -0.35 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.10 3h94 h PRO 269 Cb 1.16 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3h94 h PRO 269 CO 0.48 0.23 -0.53 0.00 -0.21 0.00 0.00 178.00 177.96 3h94 s ALA 270 N -6.05 3.82 -1.46 -0.75 0.00 -1.26 -4.35 121.76 111.71 3h94 s ALA 270 Ca -0.13 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 3h94 s ALA 270 Cb 0.20 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.66 3h94 s ALA 270 CO 0.76 0.77 1.01 -2.13 0.00 0.00 0.00 175.76 176.16 3h94 n ARG 271 N 0.67 -6.14 -1.55 0.00 3.00 -1.26 -4.70 116.66 106.68 3h94 n ARG 271 Ca -0.09 0.67 -0.14 0.00 -0.00 0.00 0.00 57.85 58.29 3h94 n ARG 271 Cb 0.52 -5.57 -0.09 0.00 0.00 0.00 0.00 32.46 27.31 3h94 n ARG 271 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 3h94 n PRO 272 N -4.72 0.47 0.00 -0.14 -0.02 -1.25 -4.75 135.00 124.59 3h94 n PRO 272 Ca -0.01 -0.78 0.00 0.00 -2.02 0.00 0.00 63.50 60.69 3h94 n PRO 272 Cb 0.55 -3.36 0.00 0.00 -0.02 0.00 0.00 33.50 30.67 3h94 n PRO 272 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3h94 n ASP 273 N 17.09 0.00 0.00 2.55 -0.08 -1.26 -5.04 116.55 129.81 3h94 n ASP 273 Ca 0.49 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.77 3h94 n ASP 273 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 3h94 n ASP 273 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3h94 n LYS 274 N 0.00 0.67 -4.28 -0.67 4.81 -1.26 -5.03 118.16 112.40 3h94 n LYS 274 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 3h94 n LYS 274 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 3h94 n LYS 274 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3h94 s THR 275 N 0.00 1.55 -0.02 3.15 2.01 -1.26 -5.12 115.64 115.94 3h94 s THR 275 Ca 0.00 -1.84 -0.03 0.00 0.31 0.00 0.00 61.69 60.13 3h94 s THR 275 Cb 0.00 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 3h94 s THR 275 CO 0.00 -0.40 0.17 -0.76 -0.69 0.00 0.00 174.62 172.95 3h94 s LEU 276 N -2.61 4.35 -0.12 4.42 1.43 -1.26 -5.10 118.68 119.79 3h94 s LEU 276 Ca 0.13 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3h94 s LEU 276 Cb -0.05 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 3h94 s LEU 276 CO 0.05 0.28 -0.13 -0.89 0.23 0.00 0.00 176.35 175.88 3h94 s THR 277 N -1.29 3.03 -0.34 5.49 2.01 -1.26 -4.86 115.64 118.42 3h94 s THR 277 Ca 0.26 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.40 3h94 s THR 277 Cb -0.13 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.12 3h94 s THR 277 CO 0.17 0.53 0.55 -0.63 -0.69 0.00 0.00 174.62 174.55 3h94 s ILE 278 N 0.21 4.99 -0.93 1.82 1.09 -1.26 -1.00 121.20 126.11 3h94 s ILE 278 Ca -0.08 0.47 0.24 0.00 -1.10 0.00 0.00 60.65 60.18 3h94 s ILE 278 Cb -0.15 -3.98 -0.05 0.00 -1.06 0.00 0.00 42.46 37.22 3h94 s ILE 278 CO 0.05 -0.21 1.27 -2.11 -0.10 0.00 0.00 174.94 173.84 3h94 n ARG 279 N 5.81 0.05 -3.82 2.79 1.85 0.35 -4.94 116.66 118.75 3h94 n ARG 279 Ca -0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.74 3h94 n ARG 279 Cb 0.49 -1.52 0.03 0.00 -1.05 0.00 0.00 32.46 30.40 3h94 n ARG 279 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3h94 s LYS 280 N -3.04 2.07 -0.20 2.89 -2.85 -1.23 -4.98 119.74 112.40 3h94 s LYS 280 Ca 0.09 -1.34 -0.28 0.00 -1.00 0.00 0.00 55.97 53.45 3h94 s LYS 280 Cb 0.17 0.57 0.11 0.00 -2.06 0.00 0.00 37.83 36.61 3h94 s LYS 280 CO 0.75 -0.97 0.92 1.67 0.10 0.00 0.00 175.35 177.81 3h94 s TRP 281 N -2.16 -0.52 0.10 1.78 1.48 -1.26 -3.10 118.94 115.26 3h94 s TRP 281 Ca 0.17 1.08 -0.14 0.00 -1.06 0.00 0.00 56.10 56.16 3h94 s TRP 281 Cb -0.05 0.39 0.02 0.00 -1.16 0.00 0.00 33.47 32.67 3h94 s TRP 281 CO 0.10 -0.35 0.33 -0.08 -4.06 0.00 0.00 176.95 172.89 3h94 s THR 282 N -0.45 0.09 -0.14 0.66 -1.32 -0.12 -5.00 115.64 109.36 3h94 s THR 282 Ca -0.01 -0.75 0.02 0.00 -1.21 0.00 0.00 61.69 59.74 3h94 s THR 282 Cb -0.03 -1.17 0.01 0.00 -1.51 0.00 0.00 72.50 69.80 3h94 s THR 282 CO 0.00 -0.41 -0.22 -0.22 -2.21 0.00 0.00 174.62 171.56 3h94 s LEU 283 N -2.68 2.12 -0.65 9.08 0.20 -1.26 -0.45 118.68 125.04 3h94 s LEU 283 Ca 0.02 -0.60 -0.19 0.00 0.69 0.00 0.00 54.13 54.05 3h94 s LEU 283 Cb 0.02 -1.45 0.12 0.00 -0.43 0.00 0.00 46.19 44.45 3h94 s LEU 283 CO -0.10 0.08 0.77 -0.76 -0.29 0.00 0.00 176.35 176.05 3h94 s LEU 284 N 0.84 5.42 0.30 -0.68 1.43 -0.90 -4.91 118.68 120.18 3h94 s LEU 284 Ca -0.06 -1.59 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 3h94 s LEU 284 Cb -0.15 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.76 3h94 s LEU 284 CO -0.03 -1.08 0.60 -2.65 0.23 0.00 0.00 176.35 173.42 3h94 n PRO 285 N 6.22 0.01 -1.55 1.29 -0.02 -1.26 -4.14 135.00 135.55 3h94 n PRO 285 Ca -0.03 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.48 3h94 n PRO 285 Cb 0.44 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.05 0.35 3.73 -1.23 0.00 -1.26 -4.96 105.19 100.77 3h94 n GLY 286 Ca 0.00 0.75 -0.41 0.00 0.00 0.00 0.00 46.02 46.36 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 10.65 4.10 0.14 1.61 -7.23 -1.26 -4.30 120.40 124.10 3h94 s VAL 287 Ca 1.03 1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 62.59 3h94 s VAL 287 Cb -0.36 -4.08 -0.08 0.00 0.56 0.00 0.00 36.38 32.42 3h94 s VAL 287 CO 0.32 0.24 1.31 -1.81 -0.31 0.00 0.00 175.10 174.84 3h94 s ASP 288 N 0.28 6.92 0.21 4.85 1.01 0.10 -4.83 116.67 125.20 3h94 s ASP 288 Ca 0.51 2.29 -0.08 0.00 0.71 0.00 0.00 52.55 55.98 3h94 s ASP 288 Cb -0.28 -2.60 0.15 0.00 1.01 0.00 0.00 42.92 41.21 3h94 s ASP 288 CO 0.32 -0.55 1.79 0.00 0.21 0.00 0.00 175.17 176.95 3h94 h ALA 289 N 6.13 1.02 -2.89 5.23 0.00 -1.93 -3.28 119.26 123.53 3h94 h ALA 289 Ca -0.43 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 3h94 h ALA 289 Cb 1.21 -0.31 0.09 0.00 0.00 0.00 0.00 17.79 18.78 3h94 h ALA 289 CO 0.81 0.60 0.64 0.00 0.00 0.00 0.00 179.25 181.30 3h94 s ALA 290 N -5.64 3.30 0.00 0.00 0.00 -1.26 -4.53 121.76 113.62 3h94 s ALA 290 Ca -0.13 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3h94 s ALA 290 Cb 0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.76 3h94 s ALA 290 CO 0.83 -0.88 0.00 0.25 0.00 0.00 0.00 175.76 175.96 3h94 n THR 291 N 0.17 0.00 -2.73 0.00 -2.24 -1.26 -4.07 114.28 104.16 3h94 n THR 291 Ca 0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3h94 n THR 291 Cb 0.43 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.71 3h94 n THR 291 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h94 n ARG 292 N 14.00 0.61 -4.30 -0.78 5.12 -1.26 -5.01 116.66 125.04 3h94 n ARG 292 Ca 0.00 -1.48 -0.28 0.00 -1.93 0.00 0.00 57.85 54.16 3h94 n ARG 292 Cb 0.00 -1.16 -0.11 0.00 -1.16 0.00 0.00 32.46 30.04 3h94 n ARG 292 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3h94 s THR 293 N 0.56 2.96 -0.05 0.55 -4.23 -1.23 -2.85 115.64 111.35 3h94 s THR 293 Ca 0.30 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3h94 s THR 293 Cb 0.22 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.63 3h94 s THR 293 CO -0.20 0.02 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.08 3h94 s LEU 294 N -2.40 3.24 -0.09 4.79 2.01 0.85 0.01 118.68 127.08 3h94 s LEU 294 Ca 0.21 -0.04 -0.12 0.00 0.01 0.00 0.00 54.13 54.19 3h94 s LEU 294 Cb -0.10 -1.76 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 3h94 s LEU 294 CO 0.12 0.34 0.29 -1.10 1.01 0.00 0.00 176.35 177.01 3h94 s GLN 295 N -1.03 3.90 -0.16 1.70 -0.21 -1.26 -0.38 119.66 122.22 3h94 s GLN 295 Ca 0.14 0.14 -0.02 0.00 0.02 0.00 0.00 55.36 55.65 3h94 s GLN 295 Cb -0.11 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.60 3h94 s GLN 295 CO 0.04 0.55 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.50 3h94 s LEU 296 N -0.51 2.82 -0.25 2.90 2.96 -0.06 -2.12 118.68 124.42 3h94 s LEU 296 Ca 0.19 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 3h94 s LEU 296 Cb -0.14 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3h94 s LEU 296 CO 0.07 0.11 0.07 -0.60 -1.32 0.00 0.00 176.35 174.68 3h94 s ARG 297 N 0.70 3.67 -0.23 1.98 3.52 0.40 -1.99 118.95 127.00 3h94 s ARG 297 Ca -0.05 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.04 3h94 s ARG 297 Cb -0.15 -3.32 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3h94 s ARG 297 CO 0.02 -0.17 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.80 3h94 s LEU 298 N 1.56 3.00 -0.62 -0.88 1.43 -0.38 -0.95 118.68 121.84 3h94 s LEU 298 Ca 0.06 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.48 3h94 s LEU 298 Cb -0.15 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.41 3h94 s LEU 298 CO 0.04 -0.05 0.83 -0.70 0.23 0.00 0.00 176.35 176.71 3h94 s GLU 299 N 1.46 3.09 -0.01 1.70 2.12 -1.18 -1.57 118.70 124.31 3h94 s GLU 299 Ca 0.05 -1.03 -0.23 0.00 0.36 0.00 0.00 54.97 54.12 3h94 s GLU 299 Cb -0.15 -4.23 -0.05 0.00 0.26 0.00 0.00 34.13 29.96 3h94 s GLU 299 CO -0.03 -1.66 0.69 0.08 -0.54 0.00 0.00 175.26 173.80 3h94 s VAL 300 N 3.40 4.90 -0.64 3.70 1.01 -0.08 -0.49 120.40 132.19 3h94 s VAL 300 Ca 0.17 1.44 -0.26 0.00 0.00 0.00 0.00 61.98 63.34 3h94 s VAL 300 Cb -0.20 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 3h94 s VAL 300 CO 0.09 0.34 2.35 -0.62 0.00 0.00 0.00 175.10 177.26 3h94 s ASP 301 N 0.22 4.29 -1.20 3.32 -1.08 -0.17 -0.61 116.67 121.43 3h94 s ASP 301 Ca 0.36 0.52 -0.11 0.00 -0.52 0.00 0.00 52.55 52.80 3h94 s ASP 301 Cb -0.19 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 38.95 3h94 s ASP 301 CO 0.19 -3.26 1.50 -3.20 0.52 0.00 0.00 175.17 170.92 3h94 n ASN 302 N 16.79 5.37 -0.04 -0.34 5.15 0.17 -4.70 115.26 137.64 3h94 n ASN 302 Ca 0.40 -3.07 -0.22 0.00 -0.60 0.00 0.00 54.58 51.10 3h94 n ASN 302 Cb 0.50 -1.48 -0.13 0.00 -0.53 0.00 0.00 39.78 38.13 3h94 n ASN 302 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3h94 h ALA 303 N 6.52 0.32 -2.04 5.20 0.00 -1.83 -3.34 119.26 124.09 3h94 h ALA 303 Ca 0.30 -1.26 -0.42 0.00 0.00 0.00 0.00 54.91 53.53 3h94 h ALA 303 Cb 0.78 0.68 0.18 0.00 0.00 0.00 0.00 17.79 19.44 3h94 h ALA 303 CO 1.31 0.96 0.21 0.34 0.00 0.00 0.00 179.25 182.07 3h94 s ASP 304 N -6.96 1.56 0.00 0.00 2.15 -1.26 -4.98 116.67 107.18 3h94 s ASP 304 Ca -0.25 0.56 0.21 0.00 0.43 0.00 0.00 52.55 53.51 3h94 s ASP 304 Cb 0.06 -0.78 0.55 0.00 -0.30 0.00 0.00 42.92 42.45 3h94 s ASP 304 CO 0.69 -3.72 1.46 -0.62 -0.17 0.00 0.00 175.17 172.81 3h94 n GLU 305 N -4.48 2.45 -3.15 4.34 1.02 -1.26 -4.85 120.64 114.70 3h94 n GLU 305 Ca 0.13 -2.23 -0.44 0.00 -0.02 0.00 0.00 57.16 54.60 3h94 n GLU 305 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3h94 n GLU 305 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h94 n ALA 306 N 1.34 4.54 -3.46 0.62 0.00 -1.26 -4.93 120.51 117.36 3h94 n ALA 306 Ca 0.21 -4.65 -0.12 0.00 0.00 0.00 0.00 53.44 48.87 3h94 n ALA 306 Cb 0.55 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.37 3h94 n ALA 306 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h94 s LEU 307 N -1.41 0.47 -0.17 0.00 2.96 -1.26 -5.10 118.68 114.17 3h94 s LEU 307 Ca 0.33 0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 54.81 3h94 s LEU 307 Cb -0.04 1.07 0.06 0.00 0.50 0.00 0.00 46.19 47.78 3h94 s LEU 307 CO -0.01 -0.15 0.42 -0.54 -1.32 0.00 0.00 176.35 174.75 3h94 s LYS 308 N 0.75 0.41 0.53 1.98 -0.14 -1.26 -5.11 119.74 116.90 3h94 s LYS 308 Ca -0.05 0.78 -0.22 0.00 -1.36 0.00 0.00 55.97 55.13 3h94 s LYS 308 Cb -0.06 0.00 -0.06 0.00 -1.68 0.00 0.00 37.83 36.03 3h94 s LYS 308 CO -0.05 -0.15 1.26 -2.30 -0.76 0.00 0.00 175.35 173.35 3h94 n PRO 309 N 4.14 1.56 -3.30 -1.68 -0.02 -1.26 -2.18 135.00 132.27 3h94 n PRO 309 Ca -0.22 0.57 -0.17 0.00 -2.02 0.00 0.00 63.50 61.66 3h94 n PRO 309 Cb 0.55 -2.45 0.07 0.00 -0.02 0.00 0.00 33.50 31.65 3h94 n PRO 309 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h94 n GLY 310 N 0.88 -0.22 3.47 -1.23 0.00 -0.66 -4.94 105.19 102.50 3h94 n GLY 310 Ca 0.10 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 3h94 n GLY 310 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h94 s MET 311 N -5.74 1.66 -0.04 1.61 -1.94 -0.93 -4.99 119.30 108.93 3h94 s MET 311 Ca 0.32 -1.82 -0.07 0.00 -1.71 0.00 0.00 55.69 52.41 3h94 s MET 311 Cb -0.14 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.15 3h94 s MET 311 CO 0.58 0.16 0.22 -0.80 -0.01 0.00 0.00 175.02 175.17 3h94 s ASN 312 N -3.51 6.47 0.02 3.03 0.01 -1.26 -3.88 114.94 115.82 3h94 s ASN 312 Ca 0.30 0.53 -0.02 0.00 -0.71 0.00 0.00 52.86 52.96 3h94 s ASN 312 Cb 0.01 -2.08 -0.02 0.00 0.41 0.00 0.00 41.25 39.57 3h94 s ASN 312 CO 0.14 0.32 0.02 0.00 -1.51 0.00 0.00 177.10 176.07 3h94 s ALA 313 N -1.18 0.02 -0.09 0.60 0.00 -0.94 -2.98 121.76 117.18 3h94 s ALA 313 Ca 0.23 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.72 3h94 s ALA 313 Cb -0.13 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3h94 s ALA 313 CO 0.12 -0.19 -0.20 -1.58 0.00 0.00 0.00 175.76 173.91 3h94 s TRP 314 N -1.63 2.61 -0.26 0.00 0.52 0.11 0.67 118.94 120.97 3h94 s TRP 314 Ca -0.14 -0.73 -0.08 0.00 0.02 0.00 0.00 56.10 55.17 3h94 s TRP 314 Cb -0.08 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 3h94 s TRP 314 CO -0.01 -0.23 0.10 -1.17 0.02 0.00 0.00 176.95 175.66 3h94 s LEU 315 N 0.07 3.60 -0.29 2.99 2.96 0.37 -0.86 118.68 127.52 3h94 s LEU 315 Ca -0.09 -0.22 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 3h94 s LEU 315 Cb -0.15 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3h94 s LEU 315 CO 0.05 -0.06 0.56 -1.58 -1.32 0.00 0.00 176.35 174.01 3h94 s GLN 316 N 1.63 3.94 -0.09 1.98 2.00 0.21 0.57 119.66 129.91 3h94 s GLN 316 Ca 0.06 0.25 0.02 0.00 -2.00 0.00 0.00 55.36 53.69 3h94 s GLN 316 Cb -0.15 -3.70 -0.02 0.00 0.80 0.00 0.00 33.01 29.93 3h94 s GLN 316 CO 0.05 -0.48 -0.14 -1.17 -0.50 0.00 0.00 175.29 173.05 3h94 s LEU 317 N 2.44 2.70 0.10 3.68 2.96 1.50 -2.07 118.68 129.99 3h94 s LEU 317 Ca 0.22 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3h94 s LEU 317 Cb -0.15 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3h94 s LEU 317 CO 0.11 0.26 -0.16 0.20 -1.32 0.00 0.00 176.35 175.44 3h94 s ASN 318 N -0.22 4.04 0.26 3.68 0.01 -1.10 0.38 114.94 121.98 3h94 s ASN 318 Ca 0.01 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 3h94 s ASN 318 Cb -0.13 -0.64 -0.05 0.00 0.41 0.00 0.00 41.25 40.83 3h94 s ASN 318 CO 0.03 0.19 0.10 -0.89 -1.51 0.00 0.00 177.10 175.02 3h94 s THR 319 N -1.14 0.53 0.21 1.60 2.01 0.35 -4.89 115.64 114.30 3h94 s THR 319 Ca 0.19 -2.00 0.03 0.00 0.31 0.00 0.00 61.69 60.21 3h94 s THR 319 Cb -0.11 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 3h94 s THR 319 CO 0.11 0.00 -0.01 0.00 -0.69 0.00 0.00 174.62 174.03 3h94 s ALA 320 N -3.76 1.63 0.16 7.40 0.00 -1.24 -0.07 121.76 125.88 3h94 s ALA 320 Ca 0.38 -1.69 0.04 0.00 0.00 0.00 0.00 51.96 50.69 3h94 s ALA 320 Cb 0.08 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3h94 s ALA 320 CO 0.14 -0.27 -0.07 -1.54 0.00 0.00 0.00 175.76 174.02 3h94 s SER 321 N -3.25 1.69 0.42 0.00 1.04 -1.13 -4.87 113.70 107.60 3h94 s SER 321 Ca 0.26 -1.06 -0.23 0.00 0.48 0.00 0.00 55.95 55.40 3h94 s SER 321 Cb 0.06 0.01 -0.12 0.00 0.10 0.00 0.00 66.02 66.07 3h94 s SER 321 CO 0.07 -0.39 0.73 -1.84 0.98 0.00 0.00 173.24 172.79 3h94 n GLU 322 N -0.22 0.85 -1.66 4.02 0.28 -1.26 -4.27 120.64 118.38 3h94 n GLU 322 Ca -0.09 0.31 -0.47 0.00 -0.16 0.00 0.00 57.16 56.75 3h94 n GLU 322 Cb 0.61 -1.71 -0.04 0.00 1.43 0.00 0.00 31.44 31.73 3h94 n GLU 322 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 3h94 n PRO 323 N 0.37 2.05 -4.47 3.44 -0.02 -1.26 -4.63 135.00 130.49 3h94 n PRO 323 Ca 0.11 0.74 -0.23 0.00 -2.02 0.00 0.00 63.50 62.11 3h94 n PRO 323 Cb 0.39 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 3h94 n PRO 323 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h94 s MET 324 N 1.36 1.64 0.01 -0.52 0.23 0.13 -4.82 119.30 117.33 3h94 s MET 324 Ca 0.81 -1.85 -0.30 0.00 -1.03 0.00 0.00 55.69 53.33 3h94 s MET 324 Cb -0.71 -1.28 -0.06 0.00 -1.53 0.00 0.00 34.83 31.24 3h94 s MET 324 CO 0.41 0.04 1.50 -0.51 -2.03 0.00 0.00 175.02 174.43 3h94 s LEU 325 N -3.50 4.33 -0.28 0.18 1.43 -1.25 -2.67 118.68 116.91 3h94 s LEU 325 Ca 0.31 2.23 -0.01 0.00 -1.03 0.00 0.00 54.13 55.64 3h94 s LEU 325 Cb 0.04 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.75 3h94 s LEU 325 CO 0.13 -0.79 -0.04 -0.76 0.23 0.00 0.00 176.35 175.13 3h94 s LEU 326 N 2.63 3.65 0.18 1.79 2.01 -0.01 -1.95 118.68 126.98 3h94 s LEU 326 Ca 0.68 -1.22 0.06 0.00 0.01 0.00 0.00 54.13 53.66 3h94 s LEU 326 Cb -0.34 -1.67 -0.04 0.00 0.01 0.00 0.00 46.19 44.16 3h94 s LEU 326 CO 0.28 -0.22 0.10 0.27 1.01 0.00 0.00 176.35 177.80 3h94 s ILE 327 N 1.23 4.24 -1.28 -0.59 -5.25 -0.90 -2.79 121.20 115.86 3h94 s ILE 327 Ca -0.05 -1.25 -0.15 0.00 -0.99 0.00 0.00 60.65 58.21 3h94 s ILE 327 Cb -0.19 -3.18 0.12 0.00 2.95 0.00 0.00 42.46 42.16 3h94 s ILE 327 CO -0.03 -0.16 1.69 -2.65 -1.79 0.00 0.00 174.94 172.01 3h94 n PRO 328 N -0.44 3.28 0.00 0.37 -0.02 -1.26 -2.25 135.00 134.68 3h94 n PRO 328 Ca -0.08 -3.46 0.00 0.00 -2.02 0.00 0.00 63.50 57.94 3h94 n PRO 328 Cb 0.55 -3.23 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 3h94 n PRO 328 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3h94 n SER 329 N 6.51 0.00 -0.28 2.55 7.64 -1.25 -1.85 113.62 126.93 3h94 n SER 329 Ca 0.43 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.40 3h94 n SER 329 Cb 0.43 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.12 -0.99 1.43 4.20 -1.90 0.23 115.11 118.20 3h94 h GLN 330 Ca 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3h94 h GLN 330 Cb 0.00 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 3h94 h GLN 330 CO 0.00 0.08 0.08 0.00 -0.67 0.00 0.00 178.83 178.32 3h94 n ALA 331 N -2.90 2.90 -2.67 3.87 0.00 -0.77 -4.77 120.51 116.16 3h94 n ALA 331 Ca 0.17 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 3h94 n ALA 331 Cb 0.56 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.45 3.50 -0.18 0.00 0.20 0.81 -4.70 118.68 117.87 3h94 s LEU 332 Ca 0.08 0.04 -0.09 0.00 0.69 0.00 0.00 54.13 54.85 3h94 s LEU 332 Cb 0.07 -1.92 0.06 0.00 -0.43 0.00 0.00 46.19 43.97 3h94 s LEU 332 CO 0.02 0.32 0.41 -0.51 -0.29 0.00 0.00 176.35 176.30 3h94 s ILE 333 N -1.00 -0.11 0.18 6.68 1.10 -0.57 -4.99 121.20 122.48 3h94 s ILE 333 Ca 0.17 0.10 0.04 0.00 -0.51 0.00 0.00 60.65 60.45 3h94 s ILE 333 Cb -0.11 -0.62 -0.05 0.00 0.15 0.00 0.00 42.46 41.83 3h94 s ILE 333 CO 0.07 0.04 -0.06 1.51 -2.11 0.00 0.00 174.94 174.39 3h94 s ASP 334 N 1.58 1.77 0.00 4.50 1.47 -1.26 0.22 116.67 124.95 3h94 s ASP 334 Ca -0.08 -1.09 0.00 0.00 1.18 0.00 0.00 52.55 52.55 3h94 s ASP 334 Cb -0.09 0.01 0.00 0.00 -0.34 0.00 0.00 42.92 42.50 3h94 s ASP 334 CO -0.13 -0.41 0.08 0.35 0.68 0.00 0.00 175.17 175.74 3h94 n THR 335 N -0.27 0.00 0.00 2.11 -2.24 -1.25 -4.98 114.28 107.64 3h94 n THR 335 Ca -0.08 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3h94 n THR 335 Cb 0.62 1.53 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 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 0.07 4.04 0.05 3.38 0.00 -1.26 -5.01 105.19 106.46 3h94 n GLY 336 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 0.34 -4.77 1.61 7.64 -1.26 -4.85 113.62 112.33 3h94 n SER 337 Ca 0.00 0.07 -0.40 0.00 1.01 0.00 0.00 58.87 59.55 3h94 n SER 337 Cb 0.00 1.39 -0.00 0.00 -1.01 0.00 0.00 64.21 64.58 3h94 n SER 337 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3h94 s GLU 338 N -3.44 4.06 -0.46 1.43 1.03 -1.26 -4.94 118.70 115.12 3h94 s GLU 338 Ca -0.04 2.34 0.04 0.00 0.03 0.00 0.00 54.97 57.33 3h94 s GLU 338 Cb 0.13 -2.88 0.23 0.00 -0.80 0.00 0.00 34.13 30.81 3h94 s GLU 338 CO 0.86 -0.49 0.93 1.04 -1.33 0.00 0.00 175.26 176.27 3h94 n GLN 339 N 0.34 0.54 -0.04 -4.83 1.13 -1.25 -3.87 117.38 109.39 3h94 n GLN 339 Ca 0.02 -1.54 0.00 0.00 -1.94 0.00 0.00 57.00 53.54 3h94 n GLN 339 Cb 0.41 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.67 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 0.00 -1.09 -4.01 0.59 -2.73 116.66 111.47 3h94 n ARG 340 Ca 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.91 3h94 n ARG 340 Cb 0.63 0.00 0.00 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 5.32 0.00 -3.98 8.89 0.24 -1.14 -1.52 118.33 126.14 3h94 n VAL 341 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 3h94 n VAL 341 Cb 0.00 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.23 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 -1.55 2.43 0.35 1.34 -1.09 -1.26 -0.81 121.20 120.62 3h94 s ILE 342 Ca 0.00 -2.30 -0.26 0.00 -2.23 0.00 0.00 60.65 55.86 3h94 s ILE 342 Cb 0.00 -2.77 -0.09 0.00 -1.58 0.00 0.00 42.46 38.01 3h94 s ILE 342 CO 0.00 -0.61 1.04 -0.89 -1.23 0.00 0.00 174.94 173.26 3h94 s THR 343 N 0.94 3.73 0.11 2.92 2.01 -0.84 -3.91 115.64 120.59 3h94 s THR 343 Ca 0.10 1.47 0.10 0.00 0.31 0.00 0.00 61.69 63.68 3h94 s THR 343 Cb -0.20 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3h94 s THR 343 CO -0.07 0.15 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.09 3h94 s VAL 344 N -1.48 2.48 -0.23 3.82 1.01 -0.96 -2.58 120.40 122.46 3h94 s VAL 344 Ca 0.52 -1.57 0.12 0.00 0.00 0.00 0.00 61.98 61.05 3h94 s VAL 344 Cb -0.25 -2.09 0.45 0.00 0.00 0.00 0.00 36.38 34.50 3h94 s VAL 344 CO 0.31 0.16 1.34 0.47 0.00 0.00 0.00 175.10 177.38 3h94 n ASP 345 N 1.06 2.40 0.00 3.32 8.00 -1.12 -4.22 116.55 125.99 3h94 n ASP 345 Ca -0.17 -3.63 0.00 0.00 0.71 0.00 0.00 54.79 51.70 3h94 n ASP 345 Cb 0.53 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.09 0.00 0.84 2.24 0.00 -1.26 -4.59 120.51 116.64 3h94 n ALA 346 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.78 3h94 n ALA 346 Cb 0.86 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.75 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 0.02 0.00 -0.85 0.00 9.92 -1.26 -4.83 116.55 119.54 3h94 n ASP 347 Ca 0.00 0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 54.16 3h94 n ASP 347 Cb 0.00 -0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.20 1.19 3.47 0.44 0.00 -1.26 -4.98 105.19 104.24 3h94 n GLY 348 Ca 0.08 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.81 3.57 0.79 1.61 1.70 -1.26 -4.95 118.95 117.60 3h94 s ARG 349 Ca 0.00 -0.56 -0.09 0.00 -0.47 0.00 0.00 55.73 54.61 3h94 s ARG 349 Cb 0.00 -2.83 0.12 0.00 -0.57 0.00 0.00 34.95 31.67 3h94 s ARG 349 CO 0.00 0.25 1.12 -0.06 -1.08 0.00 0.00 175.30 175.53 3h94 s PHE 350 N 0.31 2.26 -0.18 5.89 0.08 -1.26 -2.79 117.98 122.29 3h94 s PHE 350 Ca -0.05 0.28 -0.35 0.00 0.12 0.00 0.00 56.93 56.93 3h94 s PHE 350 Cb -0.15 -3.45 0.14 0.00 -0.57 0.00 0.00 43.02 38.99 3h94 s PHE 350 CO 0.04 -1.87 1.20 0.54 -0.10 0.00 0.00 175.22 175.03 3h94 s VAL 351 N -3.44 0.00 -0.19 -0.44 0.11 -1.06 -4.94 120.40 110.43 3h94 s VAL 351 Ca 0.66 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.64 3h94 s VAL 351 Cb -0.08 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 3h94 s VAL 351 CO 0.47 0.00 0.02 -2.16 -3.33 0.00 0.00 175.10 170.10 3h94 s PRO 352 N -2.43 3.74 -0.04 1.54 0.04 -1.26 -1.99 135.00 134.59 3h94 s PRO 352 Ca 0.09 -0.46 0.07 0.00 0.04 0.00 0.00 61.00 60.74 3h94 s PRO 352 Cb -0.01 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 3h94 s PRO 352 CO -0.05 0.11 -0.25 0.15 0.04 0.00 0.00 177.00 177.00 3h94 s LYS 353 N 0.76 2.39 -0.14 4.56 -0.14 0.01 -4.98 119.74 122.20 3h94 s LYS 353 Ca 0.01 -0.91 -0.15 0.00 -1.36 0.00 0.00 55.97 53.56 3h94 s LYS 353 Cb -0.14 -2.11 -0.05 0.00 -1.68 0.00 0.00 37.83 33.85 3h94 s LYS 353 CO 0.02 0.44 0.35 1.03 -0.76 0.00 0.00 175.35 176.43 3h94 s ARG 354 N -0.32 4.26 0.06 1.68 0.52 -1.26 -2.89 118.95 121.00 3h94 s ARG 354 Ca 0.01 0.20 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 3h94 s ARG 354 Cb -0.12 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 3h94 s ARG 354 CO 0.02 0.23 -0.19 0.14 0.02 0.00 0.00 175.30 175.52 3h94 s VAL 355 N 0.45 1.55 -0.28 3.52 -7.23 -1.11 -4.56 120.40 112.75 3h94 s VAL 355 Ca 0.19 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 59.01 3h94 s VAL 355 Cb -0.14 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.41 3h94 s VAL 355 CO 0.06 0.06 0.08 0.00 -0.31 0.00 0.00 175.10 175.00 3h94 s ALA 356 N -0.95 3.13 0.84 1.32 0.00 0.13 -4.53 121.76 121.70 3h94 s ALA 356 Ca 0.06 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 3h94 s ALA 356 Cb -0.09 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 20.99 3h94 s ALA 356 CO 0.02 -0.73 1.10 0.14 0.00 0.00 0.00 175.76 176.29 3h94 s VAL 357 N 1.56 2.86 0.06 0.00 -7.23 -1.26 0.93 120.40 117.32 3h94 s VAL 357 Ca 0.05 0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 60.47 3h94 s VAL 357 Cb -0.16 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 3h94 s VAL 357 CO 0.03 -0.36 -0.05 0.33 -0.31 0.00 0.00 175.10 174.74 3h94 n PHE 358 N -3.63 0.00 -3.91 2.82 -0.00 0.32 -4.19 117.46 108.88 3h94 n PHE 358 Ca 0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.44 3h94 n PHE 358 Cb 0.56 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.48 39.94 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 -2.13 1.74 0.10 -4.13 -2.07 -1.18 -5.02 119.66 106.97 3h94 s GLN 359 Ca -0.04 -1.11 0.06 0.00 -1.82 0.00 0.00 55.36 52.44 3h94 s GLN 359 Cb 0.01 0.56 -0.03 0.00 -1.09 0.00 0.00 33.01 32.45 3h94 s GLN 359 CO 0.06 -0.78 -0.14 0.00 -1.32 0.00 0.00 175.29 173.12 3h94 s ALA 360 N -3.85 1.37 0.12 2.60 0.00 -1.26 -1.76 121.76 118.98 3h94 s ALA 360 Ca 0.15 -1.19 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 3h94 s ALA 360 Cb -0.04 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.07 3h94 s ALA 360 CO 0.08 0.12 0.84 0.45 0.00 0.00 0.00 175.76 177.25 3h94 s SER 361 N -2.21 -0.32 0.00 0.00 0.15 -0.52 -5.02 113.70 105.77 3h94 s SER 361 Ca 0.05 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.48 3h94 s SER 361 Cb -0.06 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3h94 s SER 361 CO 0.03 -0.88 0.00 0.00 1.20 0.00 0.00 173.24 173.59 3h94 n GLN 362 N -0.38 0.00 0.00 5.44 6.02 -1.26 0.48 117.38 127.68 3h94 n GLN 362 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3h94 n GLN 362 Cb 0.62 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.88 3h94 n GLN 362 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h94 n GLY 363 N 0.00 -0.14 3.16 1.08 0.00 -1.26 -5.13 105.19 102.90 3h94 n GLY 363 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.20 0.10 0.06 1.61 -7.23 0.18 -3.94 120.40 110.98 3h94 s VAL 364 Ca 0.00 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.33 3h94 s VAL 364 Cb 0.00 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 3h94 s VAL 364 CO 0.00 -0.39 -0.23 0.42 -0.31 0.00 0.00 175.10 174.59 3h94 s THR 365 N -4.06 2.43 -0.14 5.32 -4.23 -0.95 -1.44 115.64 112.57 3h94 s THR 365 Ca 0.26 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3h94 s THR 365 Cb 0.07 -2.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.90 3h94 s THR 365 CO 0.03 0.31 -0.12 0.00 -0.54 0.00 0.00 174.62 174.31 3h94 s ALA 366 N -0.90 2.67 -0.19 3.99 0.00 -0.72 -2.11 121.76 124.50 3h94 s ALA 366 Ca 0.13 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 3h94 s ALA 366 Cb -0.10 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3h94 s ALA 366 CO 0.04 0.21 0.29 -0.51 0.00 0.00 0.00 175.76 175.79 3h94 s LEU 367 N 0.41 4.18 0.05 0.00 1.02 -0.82 0.12 118.68 123.64 3h94 s LEU 367 Ca -0.09 0.40 -0.19 0.00 0.02 0.00 0.00 54.13 54.28 3h94 s LEU 367 Cb -0.16 -2.35 -0.14 0.00 0.02 0.00 0.00 46.19 43.57 3h94 s LEU 367 CO 0.05 0.03 1.32 -0.09 0.02 0.00 0.00 176.35 177.68 3h94 h ARG 368 N 7.11 0.47 -2.71 1.70 1.12 0.39 -3.34 114.38 119.12 3h94 h ARG 368 Ca -0.39 -0.28 -0.10 0.00 -1.11 0.00 0.00 59.98 58.10 3h94 h ARG 368 Cb 1.16 0.03 -0.21 0.00 -0.01 0.00 0.00 29.97 30.94 3h94 h ARG 368 CO 0.72 0.88 -0.15 -1.12 -3.11 0.00 0.00 179.97 177.19 3h94 s SER 369 N -6.36 -0.37 0.00 -3.80 0.01 -1.17 -4.98 113.70 97.04 3h94 s SER 369 Ca -0.13 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.58 3h94 s SER 369 Cb 0.06 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.83 3h94 s SER 369 CO 0.79 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.65 3h94 n GLY 370 N 1.66 3.23 3.32 3.44 0.00 -1.26 0.19 105.19 115.77 3h94 n GLY 370 Ca -0.19 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 2.52 0.02 0.99 1.43 -1.26 -4.75 118.68 117.63 3h94 s LEU 371 Ca 0.00 -1.05 0.07 0.00 -1.03 0.00 0.00 54.13 52.12 3h94 s LEU 371 Cb 0.00 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 3h94 s LEU 371 CO 0.00 -0.26 -0.21 0.00 0.23 0.00 0.00 176.35 176.11 3h94 s ALA 372 N -3.12 1.77 0.03 4.21 0.00 -1.26 -5.02 121.76 118.37 3h94 s ALA 372 Ca 0.22 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 3h94 s ALA 372 Cb 0.01 -0.38 -0.15 0.00 0.00 0.00 0.00 23.12 22.60 3h94 s ALA 372 CO 0.05 0.41 0.74 -1.91 0.00 0.00 0.00 175.76 175.06 3h94 n GLU 373 N 2.09 0.00 -0.98 0.00 2.13 -1.26 -2.14 120.64 120.47 3h94 n GLU 373 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 3h94 n GLU 373 Cb 0.53 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 31.16 3h94 n GLU 373 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h94 n GLY 374 N 1.25 0.85 3.76 8.31 0.00 -1.16 -5.00 105.19 113.18 3h94 n GLY 374 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3h94 n GLY 374 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h94 s GLU 375 N -0.02 3.24 0.02 1.61 2.12 -0.91 -4.69 118.70 120.08 3h94 s GLU 375 Ca 0.00 2.00 -0.13 0.00 0.36 0.00 0.00 54.97 57.20 3h94 s GLU 375 Cb 0.00 -2.20 -0.06 0.00 0.26 0.00 0.00 34.13 32.13 3h94 s GLU 375 CO 0.00 -1.04 0.40 0.15 -0.54 0.00 0.00 175.26 174.24 3h94 s LYS 376 N -2.97 3.87 0.08 4.30 -0.14 -1.26 -1.95 119.74 121.67 3h94 s LYS 376 Ca 0.71 0.35 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 3h94 s LYS 376 Cb -0.35 -3.16 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 3h94 s LYS 376 CO 0.40 0.66 -0.04 0.54 -0.76 0.00 0.00 175.35 176.15 3h94 s VAL 377 N -1.17 0.46 -0.16 3.17 0.11 0.69 -2.25 120.40 121.25 3h94 s VAL 377 Ca 0.26 -1.88 -0.03 0.00 -2.93 0.00 0.00 61.98 57.39 3h94 s VAL 377 Cb -0.16 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.01 3h94 s VAL 377 CO 0.14 -0.89 -0.04 0.54 -3.33 0.00 0.00 175.10 171.52 3h94 s VAL 378 N -3.78 3.84 -0.13 2.04 0.11 -1.25 -0.53 120.40 120.70 3h94 s VAL 378 Ca 0.11 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 3h94 s VAL 378 Cb 0.07 -2.68 -0.02 0.00 -1.53 0.00 0.00 36.38 32.21 3h94 s VAL 378 CO -0.06 0.49 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.18 3h94 s SER 379 N 0.38 4.48 -0.22 3.54 1.04 -0.24 -4.37 113.70 118.31 3h94 s SER 379 Ca -0.04 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3h94 s SER 379 Cb -0.14 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.40 3h94 s SER 379 CO 0.03 0.21 0.00 -0.24 0.98 0.00 0.00 173.24 174.22 3h94 n SER 380 N 3.24 -3.49 -4.72 7.02 2.88 -1.26 -3.53 113.62 113.75 3h94 n SER 380 Ca -0.18 0.05 -0.36 0.00 -1.33 0.00 0.00 58.87 57.05 3h94 n SER 380 Cb 0.53 -1.17 -0.07 0.00 -0.75 0.00 0.00 64.21 62.74 3h94 n SER 380 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3h94 s GLY 381 N -2.53 2.19 -0.23 0.46 0.00 -1.26 -4.28 107.32 101.65 3h94 s GLY 381 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 3h94 s GLY 381 CO 0.00 0.44 -0.08 0.48 0.00 0.00 0.00 173.10 173.94 3h94 s LEU 382 N 0.53 2.99 0.19 0.66 2.34 -1.26 -5.02 118.68 119.12 3h94 s LEU 382 Ca 0.16 -0.80 -0.20 0.00 0.06 0.00 0.00 54.13 53.35 3h94 s LEU 382 Cb -0.13 -1.64 0.04 0.00 -0.56 0.00 0.00 46.19 43.90 3h94 s LEU 382 CO 0.04 -0.10 0.57 0.72 -1.06 0.00 0.00 176.35 176.53 3h94 s PHE 383 N 1.33 -0.27 0.24 3.48 -0.12 -1.26 -4.85 117.98 116.52 3h94 s PHE 383 Ca 0.01 -0.04 0.03 0.00 -0.05 0.00 0.00 56.93 56.88 3h94 s PHE 383 Cb -0.16 0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.76 3h94 s PHE 383 CO -0.06 -0.94 0.27 1.47 -0.05 0.00 0.00 175.22 175.92 3h94 n LEU 384 N -0.37 0.00 0.00 -1.99 -0.00 -1.26 -5.07 117.00 108.31 3h94 n LEU 384 Ca -0.12 -1.11 0.00 0.00 -0.00 0.00 0.00 56.01 54.78 3h94 n LEU 384 Cb 0.63 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 3h94 n LEU 384 CO 0.15 -0.51 0.00 -0.38 -0.00 0.00 0.00 177.39 176.65