#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a53 n LYS 67 N 0.00 0.61 0.26 -1.46 4.76 -1.26 -2.71 118.16 118.37 2a53 n LYS 67 Ca 0.00 0.01 0.15 0.00 -2.87 0.00 0.00 58.31 55.60 2a53 n LYS 67 Cb 0.00 -1.50 0.67 0.00 -1.84 0.00 0.00 35.03 32.36 2a53 n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2a53 h THR 68 N 0.00 0.26 -3.23 -0.18 2.02 -2.03 -3.36 112.91 106.39 2a53 h THR 68 Ca 0.00 -0.66 -0.79 0.00 0.77 0.00 0.00 66.41 65.74 2a53 h THR 68 Cb 0.15 1.52 -0.29 0.00 -1.74 0.00 0.00 68.15 67.79 2a53 h THR 68 CO 0.00 0.09 0.49 0.49 0.37 0.00 0.00 175.52 176.96 2a53 n PHE 69 N -3.27 3.92 -4.41 3.16 3.01 -1.10 -4.86 117.46 113.92 2a53 n PHE 69 Ca -0.00 -3.42 -0.20 0.00 1.01 0.00 0.00 57.45 54.83 2a53 n PHE 69 Cb 0.31 -1.43 -0.15 0.00 -0.01 0.00 0.00 39.48 38.20 2a53 n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2a53 s ILE 70 N -1.95 0.81 -0.50 4.37 1.01 -1.26 -4.39 121.20 119.29 2a53 s ILE 70 Ca 0.31 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 2a53 s ILE 70 Cb -0.03 -0.71 0.04 0.00 0.01 0.00 0.00 42.46 41.77 2a53 s ILE 70 CO -0.01 0.25 0.74 -0.75 0.00 0.00 0.00 174.94 175.17 2a53 s LYS 71 N 0.14 3.23 -0.14 2.79 2.20 -0.66 -4.93 119.74 122.37 2a53 s LYS 71 Ca -0.02 -0.56 -0.18 0.00 -0.36 0.00 0.00 55.97 54.84 2a53 s LYS 71 Cb -0.08 -4.05 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2a53 s LYS 71 CO 0.00 -1.26 0.50 0.71 -0.36 0.00 0.00 175.35 174.94 2a53 s TYR 72 N 3.11 3.47 0.47 4.03 2.02 -1.26 -0.91 117.35 128.27 2a53 s TYR 72 Ca 0.22 0.86 0.06 0.00 -0.37 0.00 0.00 57.07 57.84 2a53 s TYR 72 Cb -0.16 -2.60 -0.02 0.00 -0.40 0.00 0.00 41.96 38.78 2a53 s TYR 72 CO 0.16 0.08 0.21 0.14 -1.57 0.00 0.00 175.55 174.57 2a53 s VAL 73 N 0.96 1.93 -2.03 0.71 -7.23 -0.53 -4.71 120.40 109.49 2a53 s VAL 73 Ca 0.26 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2a53 s VAL 73 Cb -0.15 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.17 2a53 s VAL 73 CO 0.10 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.69 2a53 n SER 74 N -1.38 -5.57 -0.14 4.85 7.64 -1.26 -2.13 113.62 115.62 2a53 n SER 74 Ca -0.04 0.33 -0.02 0.00 1.01 0.00 0.00 58.87 60.15 2a53 n SER 74 Cb 0.65 -4.77 -0.01 0.00 -1.01 0.00 0.00 64.21 59.07 2a53 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a53 n GLY 75 N -0.65 0.49 3.69 0.23 0.00 -1.26 -4.99 105.19 102.70 2a53 n GLY 75 Ca -0.22 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2a53 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a53 s ILE 76 N -1.82 3.10 0.65 -0.61 1.01 -0.91 -4.95 121.20 117.67 2a53 s ILE 76 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 61.02 2a53 s ILE 76 Cb 0.00 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 2a53 s ILE 76 CO 0.00 -0.00 1.28 -2.84 0.00 0.00 0.00 174.94 173.38 2a53 s PRO 77 N 2.60 2.57 -0.54 2.79 0.02 -1.26 -4.78 135.00 136.40 2a53 s PRO 77 Ca 0.73 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.71 2a53 s PRO 77 Cb -0.39 -1.85 0.14 0.00 0.02 0.00 0.00 34.50 32.42 2a53 s PRO 77 CO 0.32 -1.58 0.39 0.34 -0.33 0.00 0.00 177.00 176.14 2a53 s ASP 78 N -1.44 5.64 0.35 2.53 -1.08 -1.26 -4.55 116.67 116.87 2a53 s ASP 78 Ca 0.82 -2.24 0.03 0.00 -0.52 0.00 0.00 52.55 50.64 2a53 s ASP 78 Cb -0.37 -1.97 0.64 0.00 -1.46 0.00 0.00 42.92 39.76 2a53 s ASP 78 CO 0.39 -0.58 1.98 0.22 0.52 0.00 0.00 175.17 177.71 2a53 h TYR 79 N 7.98 0.74 0.05 -5.34 3.20 -1.93 -1.98 116.97 119.69 2a53 h TYR 79 Ca -0.12 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 2a53 h TYR 79 Cb 1.04 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2a53 h TYR 79 CO 0.69 0.50 -0.03 0.74 -1.64 0.00 0.00 178.16 178.42 2a53 h PHE 80 N 0.78 -0.07 -0.12 -3.82 -1.00 -1.92 -3.08 116.94 107.71 2a53 h PHE 80 Ca 0.20 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.94 2a53 h PHE 80 Cb -0.01 0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2a53 h PHE 80 CO 0.00 0.54 -0.13 0.87 -1.61 0.00 0.00 178.31 177.99 2a53 h LYS 81 N -0.78 0.19 0.00 1.51 1.57 -1.87 -1.70 116.57 115.49 2a53 h LYS 81 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2a53 h LYS 81 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2a53 h LYS 81 CO 0.01 0.33 0.00 1.96 -0.57 0.00 0.00 179.45 181.18 2a53 h GLN 82 N 0.18 0.00 0.00 3.15 4.20 -1.39 -3.14 115.11 118.11 2a53 h GLN 82 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2a53 h GLN 82 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 2a53 h GLN 82 CO 0.02 0.00 -0.11 0.43 -0.67 0.00 0.00 178.83 178.50 2a53 n SER 83 N -2.75 0.15 -4.86 1.46 7.64 -0.64 -4.85 113.62 109.77 2a53 n SER 83 Ca -0.00 0.34 -0.31 0.00 1.01 0.00 0.00 58.87 59.91 2a53 n SER 83 Cb 0.20 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 63.01 2a53 n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a53 s PHE 84 N -3.01 3.44 -1.02 1.43 0.40 -1.19 -0.76 117.98 117.26 2a53 s PHE 84 Ca 0.13 1.17 0.29 0.00 -0.60 0.00 0.00 56.93 57.92 2a53 s PHE 84 Cb 0.18 -2.53 1.23 0.00 0.51 0.00 0.00 43.02 42.41 2a53 s PHE 84 CO 0.57 -0.10 1.92 -0.35 0.70 0.00 0.00 175.22 177.95 2a53 n PRO 85 N -1.12 0.02 -0.08 0.24 -0.04 -1.26 -4.86 135.00 127.90 2a53 n PRO 85 Ca 0.03 -0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 2a53 n PRO 85 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2a53 n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a53 h GLU 86 N 0.00 0.39 0.00 0.54 3.07 -1.91 -3.37 114.58 113.29 2a53 h GLU 86 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2a53 h GLU 86 Cb 0.49 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2a53 h GLU 86 CO 0.00 0.43 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 2a53 n GLY 87 N -0.72 -1.17 3.73 -3.84 0.00 0.06 -4.59 105.19 98.66 2a53 n GLY 87 Ca -0.03 -1.99 -0.06 0.00 0.00 0.00 0.00 46.02 43.94 2a53 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a53 s PHE 88 N 0.00 -0.22 0.32 1.61 -0.71 -0.89 -1.38 117.98 116.72 2a53 s PHE 88 Ca 0.00 -0.11 0.07 0.00 -1.04 0.00 0.00 56.93 55.85 2a53 s PHE 88 Cb 0.00 0.64 -0.06 0.00 -1.21 0.00 0.00 43.02 42.39 2a53 s PHE 88 CO 0.00 -0.93 -0.03 0.95 -1.34 0.00 0.00 175.22 173.87 2a53 s THR 89 N -3.52 1.73 0.07 -4.49 -4.23 -0.45 -0.39 115.64 104.37 2a53 s THR 89 Ca 0.10 -2.10 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 2a53 s THR 89 Cb -0.03 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2a53 s THR 89 CO 0.01 -0.18 0.14 -1.66 -0.54 0.00 0.00 174.62 172.39 2a53 s TRP 90 N -2.94 0.22 -0.05 3.99 1.48 -0.41 -0.73 118.94 120.51 2a53 s TRP 90 Ca 0.32 -0.65 -0.06 0.00 -1.06 0.00 0.00 56.10 54.65 2a53 s TRP 90 Cb 0.05 -0.13 0.01 0.00 -1.16 0.00 0.00 33.47 32.25 2a53 s TRP 90 CO 0.14 -0.48 0.16 -1.83 -4.06 0.00 0.00 176.95 170.88 2a53 s GLU 91 N -3.65 0.27 -0.19 3.25 -1.05 -0.48 -0.57 118.70 116.28 2a53 s GLU 91 Ca 0.04 0.08 -0.17 0.00 -0.15 0.00 0.00 54.97 54.77 2a53 s GLU 91 Cb 0.04 0.12 0.05 0.00 -0.44 0.00 0.00 34.13 33.91 2a53 s GLU 91 CO -0.10 -0.05 0.51 0.50 0.95 0.00 0.00 175.26 177.08 2a53 s ARG 92 N -0.27 0.59 -0.11 -4.83 3.52 -0.41 -1.28 118.95 116.16 2a53 s ARG 92 Ca -0.04 0.72 0.03 0.00 -0.13 0.00 0.00 55.73 56.32 2a53 s ARG 92 Cb -0.03 0.27 -0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2a53 s ARG 92 CO 0.01 -0.08 -0.21 0.99 -0.81 0.00 0.00 175.30 175.20 2a53 s THR 93 N 0.35 2.31 -0.23 4.11 2.01 -0.65 -0.84 115.64 122.71 2a53 s THR 93 Ca -0.01 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 2a53 s THR 93 Cb -0.04 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 2a53 s THR 93 CO -0.00 0.55 0.06 -0.89 -0.69 0.00 0.00 174.62 173.65 2a53 s THR 94 N 0.43 4.39 -0.17 -0.82 2.01 0.25 -1.41 115.64 120.33 2a53 s THR 94 Ca -0.15 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 2a53 s THR 94 Cb -0.17 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2a53 s THR 94 CO 0.06 0.37 0.09 0.42 -0.69 0.00 0.00 174.62 174.87 2a53 s THR 95 N 1.27 5.03 0.06 -0.82 -4.23 -0.14 -1.06 115.64 115.74 2a53 s THR 95 Ca 0.05 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 60.57 2a53 s THR 95 Cb -0.15 -3.25 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 2a53 s THR 95 CO 0.03 0.49 0.26 -0.31 -0.54 0.00 0.00 174.62 174.56 2a53 s TYR 96 N 0.02 3.53 0.33 3.99 1.51 0.17 -0.28 117.35 126.62 2a53 s TYR 96 Ca 0.07 0.41 0.38 0.00 -1.01 0.00 0.00 57.07 56.92 2a53 s TYR 96 Cb -0.12 -1.88 1.81 0.00 -0.11 0.00 0.00 41.96 41.66 2a53 s TYR 96 CO 0.00 0.56 2.14 1.05 -1.11 0.00 0.00 175.55 178.20 2a53 h GLU 97 N 3.32 0.00 -0.66 -0.62 4.11 -1.51 -1.47 114.58 117.75 2a53 h GLU 97 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2a53 h GLU 97 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2a53 h GLU 97 CO 0.72 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 2a53 n ASP 98 N -3.08 4.77 0.00 3.06 5.75 -1.26 -4.96 116.55 120.83 2a53 n ASP 98 Ca -0.01 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 2a53 n ASP 98 Cb 0.21 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 2a53 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a53 n GLY 99 N 1.16 1.23 3.76 6.12 0.00 -0.55 -4.51 105.19 112.40 2a53 n GLY 99 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 2a53 n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a53 s GLY 100 N -2.13 2.50 -0.01 -0.02 0.00 -1.20 -4.58 107.32 101.87 2a53 s GLY 100 Ca 0.00 0.81 0.04 0.00 0.00 0.00 0.00 44.72 45.57 2a53 s GLY 100 CO 0.00 1.19 -0.13 -1.36 0.00 0.00 0.00 173.10 172.79 2a53 s PHE 101 N -1.90 1.22 -0.14 1.90 0.40 -0.12 -0.66 117.98 118.67 2a53 s PHE 101 Ca 0.73 -0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.80 2a53 s PHE 101 Cb -0.26 -0.79 0.04 0.00 0.51 0.00 0.00 43.02 42.52 2a53 s PHE 101 CO 0.35 -0.04 -0.03 -1.17 0.70 0.00 0.00 175.22 175.03 2a53 s LEU 102 N -0.25 1.28 -0.06 -0.37 1.98 -0.23 -1.00 118.68 120.03 2a53 s LEU 102 Ca 0.04 -0.52 0.02 0.00 -2.89 0.00 0.00 54.13 50.77 2a53 s LEU 102 Cb -0.06 -0.76 -0.03 0.00 0.66 0.00 0.00 46.19 46.01 2a53 s LEU 102 CO -0.00 -0.20 -0.09 -0.89 -1.89 0.00 0.00 176.35 173.28 2a53 s THR 103 N 1.75 3.54 0.02 3.68 2.01 0.36 -0.58 115.64 126.43 2a53 s THR 103 Ca 0.02 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 2a53 s THR 103 Cb -0.15 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 2a53 s THR 103 CO -0.07 0.58 0.08 0.00 -0.69 0.00 0.00 174.62 174.52 2a53 s ALA 104 N -0.81 -0.13 -0.02 7.40 0.00 -0.02 -0.81 121.76 127.39 2a53 s ALA 104 Ca 0.12 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 51.73 2a53 s ALA 104 Cb -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2a53 s ALA 104 CO 0.02 -0.24 -0.14 -1.58 0.00 0.00 0.00 175.76 173.82 2a53 s HIS 105 N -1.86 1.29 -0.00 0.00 5.65 -0.53 -1.28 115.29 118.56 2a53 s HIS 105 Ca -0.11 -0.27 0.01 0.00 0.25 0.00 0.00 55.06 54.94 2a53 s HIS 105 Cb -0.06 -0.84 -0.00 0.00 -1.18 0.00 0.00 32.58 30.50 2a53 s HIS 105 CO -0.01 -0.04 -0.04 -1.14 -0.65 0.00 0.00 174.74 172.85 2a53 s GLN 106 N -0.24 0.35 -0.13 2.88 -0.44 0.27 -1.05 119.66 121.31 2a53 s GLN 106 Ca 0.04 -0.19 -0.02 0.00 -2.50 0.00 0.00 55.36 52.69 2a53 s GLN 106 Cb -0.06 -0.33 -0.02 0.00 -1.64 0.00 0.00 33.01 30.96 2a53 s GLN 106 CO -0.00 0.09 -0.07 0.34 0.50 0.00 0.00 175.29 176.15 2a53 s ASP 107 N -0.19 4.56 -0.19 6.67 -1.08 -0.25 -1.29 116.67 124.90 2a53 s ASP 107 Ca 0.01 -0.15 -0.02 0.00 -0.52 0.00 0.00 52.55 51.87 2a53 s ASP 107 Cb -0.02 -1.58 -0.01 0.00 -1.46 0.00 0.00 42.92 39.85 2a53 s ASP 107 CO -0.00 0.22 -0.09 -0.89 0.52 0.00 0.00 175.17 174.93 2a53 s THR 108 N 0.06 3.11 0.37 1.71 2.01 0.48 -1.40 115.64 121.97 2a53 s THR 108 Ca -0.02 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.43 2a53 s THR 108 Cb -0.14 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 2a53 s THR 108 CO 0.03 0.47 0.05 -0.94 -0.69 0.00 0.00 174.62 173.54 2a53 s SER 109 N 1.10 2.91 -0.16 3.53 1.04 -0.36 -2.10 113.70 119.65 2a53 s SER 109 Ca 0.01 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2a53 s SER 109 Cb -0.15 -0.06 0.03 0.00 0.10 0.00 0.00 66.02 65.94 2a53 s SER 109 CO -0.02 -0.62 -0.13 -0.22 0.98 0.00 0.00 173.24 173.24 2a53 s LEU 110 N -3.58 1.82 -0.54 2.42 2.96 -1.26 -1.37 118.68 119.13 2a53 s LEU 110 Ca 0.33 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2a53 s LEU 110 Cb 0.08 -1.17 0.14 0.00 0.50 0.00 0.00 46.19 45.74 2a53 s LEU 110 CO 0.15 -0.09 0.36 -0.62 -1.32 0.00 0.00 176.35 174.84 2a53 s ASP 111 N 1.47 5.39 1.66 3.68 3.68 0.55 -4.95 116.67 128.16 2a53 s ASP 111 Ca 0.03 -2.43 0.00 0.00 2.13 0.00 0.00 52.55 52.28 2a53 s ASP 111 Cb -0.14 -1.89 0.00 0.00 -1.45 0.00 0.00 42.92 39.45 2a53 s ASP 111 CO -0.10 -0.49 0.00 0.61 0.13 0.00 0.00 175.17 175.32 2a53 n GLY 112 N 4.09 1.75 0.79 2.66 0.00 -1.26 -1.51 105.19 111.71 2a53 n GLY 112 Ca 0.02 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.28 2a53 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a53 n ASP 113 N 10.98 2.69 -4.41 1.61 10.43 -1.26 -4.97 116.55 131.62 2a53 n ASP 113 Ca 0.00 -1.81 -0.33 0.00 2.57 0.00 0.00 54.79 55.22 2a53 n ASP 113 Cb 0.00 -0.05 -0.13 0.00 1.84 0.00 0.00 41.12 42.77 2a53 n ASP 113 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2a53 s LEU 115 N 0.49 4.21 -0.08 0.00 1.43 -1.26 -0.33 118.68 123.14 2a53 s LEU 115 Ca -0.06 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2a53 s LEU 115 Cb -0.15 -4.12 0.02 0.00 0.03 0.00 0.00 46.19 41.97 2a53 s LEU 115 CO 0.04 -0.35 -0.07 -0.69 0.23 0.00 0.00 176.35 175.51 2a53 s VAL 116 N -1.64 0.86 -0.11 -1.59 1.01 -0.47 -4.91 120.40 113.55 2a53 s VAL 116 Ca 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2a53 s VAL 116 Cb -0.21 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2a53 s VAL 116 CO 0.27 0.32 -0.09 -0.31 0.00 0.00 0.00 175.10 175.29 2a53 s TYR 117 N 1.29 2.89 -0.16 5.22 2.02 -1.26 -1.22 117.35 126.13 2a53 s TYR 117 Ca -0.04 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2a53 s TYR 117 Cb -0.14 -1.82 0.02 0.00 -0.40 0.00 0.00 41.96 39.62 2a53 s TYR 117 CO -0.03 0.01 -0.17 0.15 -1.57 0.00 0.00 175.55 173.95 2a53 s LYS 118 N -0.04 2.60 -0.08 -0.62 3.01 -0.49 -4.98 119.74 119.14 2a53 s LYS 118 Ca -0.01 -0.68 0.03 0.00 -1.01 0.00 0.00 55.97 54.30 2a53 s LYS 118 Cb -0.14 -2.32 0.00 0.00 -1.01 0.00 0.00 37.83 34.37 2a53 s LYS 118 CO 0.03 -0.23 -0.19 0.08 0.51 0.00 0.00 175.35 175.55 2a53 s VAL 119 N 1.40 1.65 -0.08 3.17 1.01 -1.26 -1.09 120.40 125.20 2a53 s VAL 119 Ca 0.05 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2a53 s VAL 119 Cb -0.13 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 2a53 s VAL 119 CO -0.12 0.47 -0.15 -0.54 0.00 0.00 0.00 175.10 174.76 2a53 s LYS 120 N 0.41 2.87 -0.03 2.72 1.02 -0.21 -4.99 119.74 121.52 2a53 s LYS 120 Ca -0.15 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.15 2a53 s LYS 120 Cb -0.16 -2.45 -0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2a53 s LYS 120 CO 0.06 0.42 -0.12 0.42 -0.92 0.00 0.00 175.35 175.21 2a53 s ILE 121 N -0.22 1.04 -0.11 2.17 1.01 -1.26 -1.45 121.20 122.39 2a53 s ILE 121 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2a53 s ILE 121 Cb -0.13 -0.90 0.04 0.00 0.01 0.00 0.00 42.46 41.47 2a53 s ILE 121 CO 0.03 0.31 -0.01 -0.76 0.00 0.00 0.00 174.94 174.52 2a53 s LEU 122 N 0.07 0.87 0.08 2.97 1.43 0.01 -5.01 118.68 119.10 2a53 s LEU 122 Ca -0.02 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.85 2a53 s LEU 122 Cb -0.09 -0.56 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 2a53 s LEU 122 CO 0.01 -0.21 -0.24 -0.83 0.23 0.00 0.00 176.35 175.31 2a53 s GLY 123 N 1.89 1.35 0.22 -3.19 0.00 -1.26 -0.48 107.32 105.84 2a53 s GLY 123 Ca 0.03 -1.27 -0.21 0.00 0.00 0.00 0.00 44.72 43.27 2a53 s GLY 123 CO -0.06 -1.22 0.65 0.54 0.00 0.00 0.00 173.10 173.00 2a53 s ASN 124 N -1.61 -0.39 -0.84 1.64 2.20 -0.17 -4.96 114.94 110.82 2a53 s ASN 124 Ca 0.10 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.69 2a53 s ASN 124 Cb -0.10 0.66 0.00 0.00 -2.00 0.00 0.00 41.25 39.81 2a53 s ASN 124 CO 0.04 -1.16 0.00 0.59 -2.94 0.00 0.00 177.10 173.63 2a53 n ASN 125 N -0.41 -4.90 -4.72 3.54 3.02 -1.26 -0.95 115.26 109.58 2a53 n ASN 125 Ca -0.10 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2a53 n ASN 125 Cb 0.62 -3.09 -0.03 0.00 -0.61 0.00 0.00 39.78 36.67 2a53 n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a53 s PHE 126 N -1.98 3.21 0.30 3.10 0.08 -1.26 -3.24 117.98 118.20 2a53 s PHE 126 Ca 0.00 0.90 -0.29 0.00 0.12 0.00 0.00 56.93 57.66 2a53 s PHE 126 Cb 0.00 -3.73 -0.10 0.00 -0.57 0.00 0.00 43.02 38.62 2a53 s PHE 126 CO 0.00 -2.56 1.27 -1.25 -0.10 0.00 0.00 175.22 172.57 2a53 s PRO 127 N 1.06 4.42 0.49 0.24 0.04 -1.26 -4.90 135.00 135.08 2a53 s PRO 127 Ca 0.65 2.11 0.14 0.00 0.04 0.00 0.00 61.00 63.95 2a53 s PRO 127 Cb -0.38 -3.11 1.15 0.00 0.04 0.00 0.00 34.50 32.20 2a53 s PRO 127 CO 0.31 -0.11 2.11 0.00 0.04 0.00 0.00 177.00 179.35 2a53 h ALA 128 N 3.72 1.90 -0.23 8.56 0.00 -1.97 -2.08 119.26 129.17 2a53 h ALA 128 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a53 h ALA 128 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2a53 h ALA 128 CO 0.67 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 2a53 n ASP 129 N -4.50 1.88 -4.93 0.00 3.85 -1.26 -4.25 116.55 107.34 2a53 n ASP 129 Ca -0.02 -1.79 -0.25 0.00 -0.71 0.00 0.00 54.79 52.02 2a53 n ASP 129 Cb 0.10 -0.15 0.02 0.00 -1.35 0.00 0.00 41.12 39.75 2a53 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2a53 s GLY 130 N -1.45 1.59 0.48 6.12 0.00 -0.78 -4.90 107.32 108.38 2a53 s GLY 130 Ca 0.31 -0.82 0.21 0.00 0.00 0.00 0.00 44.72 44.43 2a53 s GLY 130 CO 0.25 -0.59 1.94 -2.55 0.00 0.00 0.00 173.10 172.15 2a53 h PRO 131 N 0.06 0.20 0.21 2.90 0.11 -1.87 -1.04 132.00 132.56 2a53 h PRO 131 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2a53 h PRO 131 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2a53 h PRO 131 CO 0.59 0.13 -0.10 0.28 -0.21 0.00 0.00 178.00 178.70 2a53 h VAL 132 N 0.21 0.79 0.00 3.15 2.07 -1.88 0.33 116.25 120.92 2a53 h VAL 132 Ca 0.35 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2a53 h VAL 132 Cb 1.06 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2a53 h VAL 132 CO -0.07 0.18 -0.15 0.24 0.02 0.00 0.00 177.57 177.79 2a53 h MET 133 N -0.82 0.00 -0.00 1.57 2.86 -1.72 -1.92 114.93 114.90 2a53 h MET 133 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2a53 h MET 133 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2a53 h MET 133 CO 0.05 0.15 -0.02 1.04 1.06 0.00 0.00 176.91 179.19 2a53 n GLN 134 N -3.23 0.41 -3.73 1.72 1.13 -0.41 -4.95 117.38 108.33 2a53 n GLN 134 Ca 0.01 -0.03 -0.22 0.00 -1.94 0.00 0.00 57.00 54.82 2a53 n GLN 134 Cb 0.46 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.33 2a53 n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2a53 n ASN 135 N -1.27 -1.29 -2.73 1.08 4.05 -0.72 -4.94 115.26 109.43 2a53 n ASN 135 Ca 0.13 -0.86 -0.18 0.00 0.45 0.00 0.00 54.58 54.13 2a53 n ASN 135 Cb 0.26 -3.89 0.00 0.00 1.23 0.00 0.00 39.78 37.38 2a53 n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2a53 n LYS 136 N -4.27 2.02 0.08 1.20 5.02 0.03 -4.95 118.16 117.30 2a53 n LYS 136 Ca -0.29 -3.83 0.10 0.00 -2.02 0.00 0.00 58.31 52.28 2a53 n LYS 136 Cb 0.68 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2a53 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a53 n ALA 137 N -0.15 2.50 -0.16 7.82 0.00 -1.25 -4.46 120.51 124.82 2a53 n ALA 137 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2a53 n ALA 137 Cb 0.70 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.09 2a53 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a53 n GLY 138 N 1.21 1.90 3.30 0.00 0.00 -1.26 -3.91 105.19 106.43 2a53 n GLY 138 Ca -0.01 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 2a53 n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a53 s ARG 139 N 0.00 0.83 0.15 1.61 1.70 -0.89 -4.98 118.95 117.37 2a53 s ARG 139 Ca 0.00 -0.29 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 2a53 s ARG 139 Cb 0.00 0.37 -0.07 0.00 -0.57 0.00 0.00 34.95 34.68 2a53 s ARG 139 CO 0.00 -0.26 1.06 -1.58 -1.08 0.00 0.00 175.30 173.43 2a53 s TRP 140 N -2.04 3.67 0.77 5.89 0.52 -1.26 -0.25 118.94 126.24 2a53 s TRP 140 Ca -0.08 1.66 -0.12 0.00 0.02 0.00 0.00 56.10 57.58 2a53 s TRP 140 Cb -0.02 -3.20 0.06 0.00 -1.15 0.00 0.00 33.47 29.16 2a53 s TRP 140 CO 0.00 -0.34 1.13 -1.21 0.02 0.00 0.00 176.95 176.55 2a53 s GLU 141 N -0.23 2.07 0.80 4.98 0.41 -0.14 -4.80 118.70 121.79 2a53 s GLU 141 Ca 0.49 1.41 -0.13 0.00 -0.41 0.00 0.00 54.97 56.33 2a53 s GLU 141 Cb -0.27 -1.86 0.08 0.00 -1.78 0.00 0.00 34.13 30.30 2a53 s GLU 141 CO 0.33 -1.82 1.18 -1.25 -0.49 0.00 0.00 175.26 173.22 2a53 s PRO 142 N -4.48 1.72 0.11 0.39 0.04 -1.26 -4.71 135.00 126.82 2a53 s PRO 142 Ca 0.66 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.35 2a53 s PRO 142 Cb -0.21 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2a53 s PRO 142 CO 0.51 -2.13 0.04 -1.54 0.04 0.00 0.00 177.00 173.92 2a53 s SER 143 N -2.34 0.35 -0.10 6.66 1.04 -0.42 -4.87 113.70 114.02 2a53 s SER 143 Ca 0.71 -1.16 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 2a53 s SER 143 Cb -0.26 0.28 0.02 0.00 0.10 0.00 0.00 66.02 66.16 2a53 s SER 143 CO 0.51 -0.70 -0.06 -0.89 0.98 0.00 0.00 173.24 173.08 2a53 s THR 144 N -4.02 0.86 -0.04 2.02 2.01 -1.26 -0.48 115.64 114.74 2a53 s THR 144 Ca 0.20 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 2a53 s THR 144 Cb 0.08 -0.91 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 2a53 s THR 144 CO -0.01 0.34 0.33 -0.70 -0.69 0.00 0.00 174.62 173.89 2a53 s GLU 145 N 1.69 3.79 -0.09 4.92 2.12 0.21 -4.35 118.70 126.99 2a53 s GLU 145 Ca 0.03 0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.45 2a53 s GLU 145 Cb -0.13 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2a53 s GLU 145 CO -0.07 0.70 0.43 0.96 -0.54 0.00 0.00 175.26 176.74 2a53 s ILE 146 N -1.02 5.16 -0.05 -3.70 -4.36 0.20 -0.56 121.20 116.89 2a53 s ILE 146 Ca 0.21 0.85 0.02 0.00 -0.26 0.00 0.00 60.65 61.47 2a53 s ILE 146 Cb -0.15 -3.76 0.01 0.00 1.25 0.00 0.00 42.46 39.81 2a53 s ILE 146 CO 0.10 0.41 -0.09 -0.69 0.24 0.00 0.00 174.94 174.91 2a53 s VAL 147 N 0.13 0.83 0.06 8.37 1.01 -0.47 -1.39 120.40 128.95 2a53 s VAL 147 Ca 0.24 -0.33 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2a53 s VAL 147 Cb -0.15 -0.78 0.08 0.00 0.00 0.00 0.00 36.38 35.53 2a53 s VAL 147 CO 0.10 0.28 0.70 -0.72 0.00 0.00 0.00 175.10 175.46 2a53 s TYR 148 N 0.60 -0.52 0.23 5.22 1.13 -0.42 -1.66 117.35 121.93 2a53 s TYR 148 Ca -0.10 0.49 -0.30 0.00 -1.41 0.00 0.00 57.07 55.75 2a53 s TYR 148 Cb -0.13 0.52 -0.09 0.00 -1.10 0.00 0.00 41.96 41.16 2a53 s TYR 148 CO 0.02 -0.71 1.00 -2.00 -2.51 0.00 0.00 175.55 171.35 2a53 s GLU 149 N -2.94 4.76 -0.14 -3.49 2.12 -1.26 -0.52 118.70 117.23 2a53 s GLU 149 Ca -0.01 1.59 -0.10 0.00 0.36 0.00 0.00 54.97 56.81 2a53 s GLU 149 Cb -0.01 -3.27 0.04 0.00 0.26 0.00 0.00 34.13 31.16 2a53 s GLU 149 CO -0.07 0.36 0.35 0.08 -0.54 0.00 0.00 175.26 175.44 2a53 s VAL 150 N -0.92 -0.01 -1.48 3.70 1.01 -0.14 -4.86 120.40 117.69 2a53 s VAL 150 Ca 0.44 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 2a53 s VAL 150 Cb -0.28 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.60 2a53 s VAL 150 CO 0.34 0.02 0.16 0.47 0.00 0.00 0.00 175.10 176.09 2a53 n ASP 151 N 3.46 -5.17 -0.66 3.32 8.00 -1.26 -1.20 116.55 123.04 2a53 n ASP 151 Ca -0.18 -0.03 -0.09 0.00 0.71 0.00 0.00 54.79 55.20 2a53 n ASP 151 Cb 0.56 -4.29 -0.04 0.00 -0.02 0.00 0.00 41.12 37.33 2a53 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a53 n GLY 152 N -1.06 1.00 2.19 0.44 0.00 -1.26 -4.99 105.19 101.51 2a53 n GLY 152 Ca -0.17 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 2a53 n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a53 n VAL 153 N -2.59 0.00 -4.34 1.61 0.24 -0.34 -4.73 118.33 108.18 2a53 n VAL 153 Ca -0.09 -1.60 -0.35 0.00 -2.04 0.00 0.00 64.34 60.26 2a53 n VAL 153 Cb 0.36 0.67 -0.10 0.00 -1.47 0.00 0.00 33.84 33.31 2a53 n VAL 153 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a53 s LEU 154 N 0.00 3.58 0.02 1.34 1.02 -1.09 -0.97 118.68 122.59 2a53 s LEU 154 Ca 0.19 0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.47 2a53 s LEU 154 Cb 0.01 -1.83 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 2a53 s LEU 154 CO 0.14 0.34 0.03 -0.13 0.02 0.00 0.00 176.35 176.75 2a53 s ARG 155 N -0.64 2.85 0.03 1.70 0.52 0.33 -0.67 118.95 123.07 2a53 s ARG 155 Ca 0.10 -0.61 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 2a53 s ARG 155 Cb -0.12 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 2a53 s ARG 155 CO 0.02 0.61 -0.15 0.20 0.02 0.00 0.00 175.30 176.01 2a53 s GLY 156 N -1.81 0.82 0.01 -3.53 0.00 -0.15 -1.30 107.32 101.35 2a53 s GLY 156 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2a53 s GLY 156 CO 0.14 -0.79 -0.02 1.20 0.00 0.00 0.00 173.10 173.63 2a53 s GLN 157 N -1.04 0.21 0.11 2.90 -0.21 -0.48 -0.96 119.66 120.19 2a53 s GLN 157 Ca 0.03 -0.33 -0.12 0.00 0.02 0.00 0.00 55.36 54.96 2a53 s GLN 157 Cb -0.08 -0.02 0.01 0.00 1.00 0.00 0.00 33.01 33.92 2a53 s GLN 157 CO 0.01 -0.00 0.28 -1.54 -2.12 0.00 0.00 175.29 171.92 2a53 s SER 158 N -0.75 -0.02 -0.22 5.90 1.04 -0.93 -0.62 113.70 118.09 2a53 s SER 158 Ca -0.07 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 2a53 s SER 158 Cb -0.05 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 2a53 s SER 158 CO -0.00 -0.79 0.06 -0.76 0.98 0.00 0.00 173.24 172.72 2a53 s LEU 159 N -2.85 3.52 0.29 2.42 1.43 -1.26 -0.52 118.68 121.71 2a53 s LEU 159 Ca 0.05 -0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 2a53 s LEU 159 Cb 0.04 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2a53 s LEU 159 CO -0.11 0.03 -0.01 -0.04 0.23 0.00 0.00 176.35 176.45 2a53 s MET 160 N 1.20 2.16 -0.11 1.70 -1.94 -0.34 -4.52 119.30 117.45 2a53 s MET 160 Ca 0.04 -1.56 -0.05 0.00 -1.71 0.00 0.00 55.69 52.42 2a53 s MET 160 Cb -0.14 -2.05 0.05 0.00 2.01 0.00 0.00 34.83 34.70 2a53 s MET 160 CO 0.03 0.28 0.24 0.00 -0.01 0.00 0.00 175.02 175.56 2a53 s ALA 161 N -2.40 -0.50 -0.12 3.03 0.00 -1.26 -1.01 121.76 119.50 2a53 s ALA 161 Ca 0.33 0.91 -0.24 0.00 0.00 0.00 0.00 51.96 52.96 2a53 s ALA 161 Cb -0.04 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2a53 s ALA 161 CO 0.19 -0.44 0.73 -1.17 0.00 0.00 0.00 175.76 175.08 2a53 s LEU 162 N 1.89 4.25 -0.56 0.00 2.96 0.41 -0.97 118.68 126.66 2a53 s LEU 162 Ca -0.03 1.13 -0.22 0.00 -0.22 0.00 0.00 54.13 54.79 2a53 s LEU 162 Cb -0.11 -3.10 0.06 0.00 0.50 0.00 0.00 46.19 43.53 2a53 s LEU 162 CO -0.08 -0.23 0.82 -0.75 -1.32 0.00 0.00 176.35 174.79 2a53 s LYS 163 N 1.38 3.19 0.56 1.98 2.20 0.66 -1.12 119.74 128.58 2a53 s LYS 163 Ca 0.37 -0.67 -0.10 0.00 -0.36 0.00 0.00 55.97 55.20 2a53 s LYS 163 Cb -0.17 -4.12 -0.05 0.00 -1.51 0.00 0.00 37.83 31.98 2a53 s LYS 163 CO 0.15 -1.46 0.94 0.00 -0.36 0.00 0.00 175.35 174.62 2a53 n PRO 165 N -2.38 2.58 -0.74 0.00 -0.02 -1.26 -1.15 135.00 132.04 2a53 n PRO 165 Ca 0.04 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2a53 n PRO 165 Cb 0.54 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2a53 n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a53 n GLY 166 N 3.17 0.78 0.00 -1.23 0.00 -1.26 -4.61 105.19 102.04 2a53 n GLY 166 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2a53 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a53 n GLY 167 N -2.29 2.02 3.77 -0.02 0.00 -0.30 -5.08 105.19 103.29 2a53 n GLY 167 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2a53 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2a53 s ARG 168 N -0.18 3.97 -0.12 1.61 0.52 -1.26 -4.69 118.95 118.80 2a53 s ARG 168 Ca 0.00 1.89 -0.07 0.00 -0.52 0.00 0.00 55.73 57.03 2a53 s ARG 168 Cb 0.00 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 2a53 s ARG 168 CO 0.00 -0.40 0.13 -1.01 0.02 0.00 0.00 175.30 174.04 2a53 s HIS 169 N -1.41 3.57 -0.22 -0.53 3.76 -1.26 -0.69 115.29 118.52 2a53 s HIS 169 Ca 0.58 0.50 -0.03 0.00 -0.15 0.00 0.00 55.06 55.96 2a53 s HIS 169 Cb -0.32 -1.95 -0.00 0.00 1.11 0.00 0.00 32.58 31.42 2a53 s HIS 169 CO 0.40 0.70 -0.06 -1.17 -0.85 0.00 0.00 174.74 173.75 2a53 s LEU 170 N -0.92 2.81 0.31 0.89 2.96 -0.28 -4.94 118.68 119.52 2a53 s LEU 170 Ca 0.14 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2a53 s LEU 170 Cb -0.12 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2a53 s LEU 170 CO 0.04 -0.02 0.36 0.42 -1.32 0.00 0.00 176.35 175.82 2a53 s THR 171 N 1.45 4.09 0.15 3.68 -4.23 -1.26 -0.45 115.64 119.07 2a53 s THR 171 Ca 0.05 -1.17 -0.13 0.00 -1.18 0.00 0.00 61.69 59.26 2a53 s THR 171 Cb -0.14 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.32 2a53 s THR 171 CO -0.05 -0.21 0.36 0.00 -0.54 0.00 0.00 174.62 174.18 2a53 s HIS 173 N -3.89 1.95 -0.08 0.00 2.46 0.62 -1.20 115.29 115.14 2a53 s HIS 173 Ca 0.10 -1.07 -0.15 0.00 0.47 0.00 0.00 55.06 54.41 2a53 s HIS 173 Cb 0.02 -1.48 -0.05 0.00 -0.13 0.00 0.00 32.58 30.94 2a53 s HIS 173 CO -0.05 -0.62 0.37 -0.51 -2.47 0.00 0.00 174.74 171.46 2a53 s LEU 174 N 1.56 4.36 -0.24 8.88 1.02 0.32 -0.97 118.68 133.60 2a53 s LEU 174 Ca 0.05 0.76 0.01 0.00 0.02 0.00 0.00 54.13 54.97 2a53 s LEU 174 Cb -0.13 -2.51 0.06 0.00 0.02 0.00 0.00 46.19 43.63 2a53 s LEU 174 CO -0.10 0.19 -0.04 -1.00 0.02 0.00 0.00 176.35 175.42 2a53 s HIS 175 N -0.22 2.35 0.06 0.29 3.76 -0.50 -2.18 115.29 118.84 2a53 s HIS 175 Ca 0.21 -1.75 0.08 0.00 -0.15 0.00 0.00 55.06 53.46 2a53 s HIS 175 Cb -0.15 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.92 2a53 s HIS 175 CO 0.09 -0.78 -0.22 0.99 -0.85 0.00 0.00 174.74 173.97 2a53 s THR 176 N 1.41 1.81 -0.09 1.30 2.01 -0.13 -1.63 115.64 120.32 2a53 s THR 176 Ca -0.05 -1.31 0.04 0.00 0.31 0.00 0.00 61.69 60.68 2a53 s THR 176 Cb -0.19 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.75 2a53 s THR 176 CO -0.07 0.20 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.97 2a53 s THR 177 N -0.86 1.79 -0.15 -0.82 2.01 -0.40 -0.98 115.64 116.22 2a53 s THR 177 Ca 0.09 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 2a53 s THR 177 Cb -0.09 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2a53 s THR 177 CO 0.02 0.50 0.01 -0.31 -0.69 0.00 0.00 174.62 174.15 2a53 s TYR 178 N 0.41 3.14 -0.26 4.92 2.02 0.16 -1.38 117.35 126.37 2a53 s TYR 178 Ca -0.17 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 2a53 s TYR 178 Cb -0.17 -1.98 0.07 0.00 -0.40 0.00 0.00 41.96 39.48 2a53 s TYR 178 CO 0.07 0.13 -0.00 1.03 -1.57 0.00 0.00 175.55 175.21 2a53 s ARG 179 N 0.15 1.33 0.58 -0.62 0.52 0.09 -2.66 118.95 118.34 2a53 s ARG 179 Ca 0.02 -1.05 -0.20 0.00 -0.52 0.00 0.00 55.73 53.97 2a53 s ARG 179 Cb -0.13 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 2a53 s ARG 179 CO 0.02 -0.72 1.33 0.45 0.02 0.00 0.00 175.30 176.40 2a53 s SER 180 N 1.43 5.04 0.00 0.23 0.15 -1.26 -1.34 113.70 117.95 2a53 s SER 180 Ca -0.00 2.69 0.28 0.00 0.70 0.00 0.00 55.95 59.62 2a53 s SER 180 Cb -0.18 -2.63 1.12 0.00 -1.71 0.00 0.00 66.02 62.62 2a53 s SER 180 CO -0.10 -1.72 1.84 0.29 1.20 0.00 0.00 173.24 174.75 2a53 n LYS 181 N -1.36 0.03 -2.89 5.44 5.02 -0.48 -4.82 118.16 119.11 2a53 n LYS 181 Ca 0.12 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.09 2a53 n LYS 181 Cb 0.46 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 2a53 n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a53 s LYS 182 N -2.97 3.96 0.48 1.97 1.02 -1.26 -4.99 119.74 117.96 2a53 s LYS 182 Ca 0.14 0.72 -0.22 0.00 0.02 0.00 0.00 55.97 56.63 2a53 s LYS 182 Cb 0.19 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 2a53 s LYS 182 CO 0.56 0.01 1.17 -1.25 -0.92 0.00 0.00 175.35 174.91 2a53 s PRO 183 N -3.43 3.62 0.49 -1.68 0.04 -1.26 -4.90 135.00 127.88 2a53 s PRO 183 Ca 0.55 1.78 0.22 0.00 0.04 0.00 0.00 61.00 63.59 2a53 s PRO 183 Cb -0.10 -2.31 1.27 0.00 0.04 0.00 0.00 34.50 33.40 2a53 s PRO 183 CO 0.23 -0.67 1.97 0.00 0.04 0.00 0.00 177.00 178.57 2a53 h ALA 184 N 1.82 2.36 0.00 8.56 0.00 -1.94 0.72 119.26 130.77 2a53 h ALA 184 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2a53 h ALA 184 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2a53 h ALA 184 CO 0.59 -0.52 0.00 0.66 0.00 0.00 0.00 179.25 179.98 2a53 h SER 185 N 0.15 0.00 -0.44 0.00 4.64 -1.96 -2.01 113.55 113.93 2a53 h SER 185 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 2a53 h SER 185 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2a53 h SER 185 CO -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 2a53 n ALA 186 N -1.96 2.43 -2.48 5.18 0.00 0.25 -4.96 120.51 118.96 2a53 n ALA 186 Ca -0.01 -0.95 -0.25 0.00 0.00 0.00 0.00 53.44 52.22 2a53 n ALA 186 Cb 0.11 -0.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 2a53 n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a53 s LEU 187 N -1.32 2.14 -0.46 0.00 1.43 -0.76 -5.02 118.68 114.70 2a53 s LEU 187 Ca 0.39 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.80 2a53 s LEU 187 Cb 0.21 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.50 2a53 s LEU 187 CO 0.30 0.17 0.68 -0.75 0.23 0.00 0.00 176.35 176.98 2a53 s LYS 188 N -1.01 3.27 0.12 1.70 2.20 -1.26 -4.99 119.74 119.78 2a53 s LYS 188 Ca 0.07 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2a53 s LYS 188 Cb -0.08 -3.98 -0.06 0.00 -1.51 0.00 0.00 37.83 32.20 2a53 s LYS 188 CO 0.01 -1.09 1.01 -1.64 -0.36 0.00 0.00 175.35 173.29 2a53 s MET 189 N 2.93 4.65 0.59 4.03 -1.94 -1.26 -4.68 119.30 123.61 2a53 s MET 189 Ca 0.23 1.54 -0.16 0.00 -1.71 0.00 0.00 55.69 55.59 2a53 s MET 189 Cb -0.14 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2a53 s MET 189 CO 0.18 0.14 1.05 -1.25 -0.01 0.00 0.00 175.02 175.14 2a53 s PRO 190 N -0.01 3.38 0.89 2.03 0.04 -1.26 -4.88 135.00 135.20 2a53 s PRO 190 Ca 0.48 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 2a53 s PRO 190 Cb -0.25 -2.04 0.15 0.00 0.04 0.00 0.00 34.50 32.39 2a53 s PRO 190 CO 0.31 -0.76 1.26 0.20 0.04 0.00 0.00 177.00 178.05 2a53 s GLY 191 N -2.83 1.70 0.13 0.56 0.00 -1.26 -4.48 107.32 101.14 2a53 s GLY 191 Ca 0.63 -0.96 -0.35 0.00 0.00 0.00 0.00 44.72 44.05 2a53 s GLY 191 CO 0.36 -0.31 1.45 0.33 0.00 0.00 0.00 173.10 174.94 2a53 n PHE 192 N -3.57 1.91 -3.84 1.90 7.35 -1.26 -4.77 117.46 115.19 2a53 n PHE 192 Ca 0.12 0.45 -0.10 0.00 -0.76 0.00 0.00 57.45 57.16 2a53 n PHE 192 Cb 0.60 -2.44 0.02 0.00 0.35 0.00 0.00 39.48 38.01 2a53 n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2a53 s HIS 193 N 0.64 0.28 -0.00 -5.13 -3.43 -0.66 -4.99 115.29 102.00 2a53 s HIS 193 Ca 0.80 -0.92 0.03 0.00 -0.80 0.00 0.00 55.06 54.17 2a53 s HIS 193 Cb -0.80 0.74 -0.03 0.00 -1.43 0.00 0.00 32.58 31.06 2a53 s HIS 193 CO 0.43 -1.56 -0.05 -0.06 -2.00 0.00 0.00 174.74 171.50 2a53 s PHE 194 N -2.20 2.94 -0.25 0.38 0.40 -0.09 -1.37 117.98 117.80 2a53 s PHE 194 Ca 0.18 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 2a53 s PHE 194 Cb -0.05 -1.63 0.07 0.00 0.51 0.00 0.00 43.02 41.92 2a53 s PHE 194 CO 0.13 0.40 -0.02 -1.21 0.70 0.00 0.00 175.22 175.22 2a53 s GLU 195 N -1.43 1.44 0.20 0.44 2.02 0.28 -0.67 118.70 120.98 2a53 s GLU 195 Ca 0.18 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 2a53 s GLU 195 Cb -0.11 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.49 2a53 s GLU 195 CO 0.08 -0.68 1.01 -0.51 0.02 0.00 0.00 175.26 175.18 2a53 s ASP 196 N 1.40 7.46 -0.09 -0.19 1.01 -0.01 -0.62 116.67 125.63 2a53 s ASP 196 Ca -0.02 1.99 0.01 0.00 0.71 0.00 0.00 52.55 55.23 2a53 s ASP 196 Cb -0.19 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.16 2a53 s ASP 196 CO -0.09 -0.04 -0.09 -1.00 0.21 0.00 0.00 175.17 174.17 2a53 s HIS 197 N -0.64 1.38 -0.32 4.23 3.76 0.37 -1.74 115.29 122.34 2a53 s HIS 197 Ca 0.45 -0.60 -0.08 0.00 -0.15 0.00 0.00 55.06 54.68 2a53 s HIS 197 Cb -0.27 -1.11 0.02 0.00 1.11 0.00 0.00 32.58 32.32 2a53 s HIS 197 CO 0.33 -0.40 0.11 0.50 -0.85 0.00 0.00 174.74 174.44 2a53 s ARG 198 N 1.30 2.97 -0.17 1.40 6.06 0.03 -1.30 118.95 129.24 2a53 s ARG 198 Ca -0.03 -0.95 0.01 0.00 -2.50 0.00 0.00 55.73 52.25 2a53 s ARG 198 Cb -0.14 -3.47 0.01 0.00 0.06 0.00 0.00 34.95 31.41 2a53 s ARG 198 CO -0.03 -0.53 -0.18 0.42 -2.50 0.00 0.00 175.30 172.47 2a53 s ILE 199 N 1.50 2.30 -0.09 4.11 1.01 -1.26 -1.51 121.20 127.25 2a53 s ILE 199 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2a53 s ILE 199 Cb -0.18 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.35 2a53 s ILE 199 CO 0.04 0.52 -0.06 -1.61 0.00 0.00 0.00 174.94 173.83 2a53 s GLU 200 N 1.15 1.27 -0.96 2.79 2.02 -0.25 -4.56 118.70 120.16 2a53 s GLU 200 Ca 0.01 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 54.62 2a53 s GLU 200 Cb -0.14 -1.32 0.12 0.00 0.10 0.00 0.00 34.13 32.89 2a53 s GLU 200 CO -0.08 -0.19 1.20 0.42 0.02 0.00 0.00 175.26 176.63 2a53 s ILE 201 N 1.46 4.60 0.13 -1.63 1.01 -1.26 -0.84 121.20 124.66 2a53 s ILE 201 Ca -0.01 -1.50 0.16 0.00 0.00 0.00 0.00 60.65 59.30 2a53 s ILE 201 Cb -0.13 -4.84 0.07 0.00 0.01 0.00 0.00 42.46 37.57 2a53 s ILE 201 CO -0.04 -1.59 1.63 0.24 0.00 0.00 0.00 174.94 175.17 2a53 h MET 202 N 8.89 0.00 -3.08 2.79 2.86 -1.54 -3.43 114.93 121.42 2a53 h MET 202 Ca 0.18 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.53 2a53 h MET 202 Cb 1.01 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 32.32 2a53 h MET 202 CO 1.17 0.49 -0.63 -2.00 1.06 0.00 0.00 176.91 177.00 2a53 s GLU 203 N -3.42 0.04 -0.99 1.72 2.12 -1.15 -5.00 118.70 112.02 2a53 s GLU 203 Ca 0.01 0.56 -0.15 0.00 0.36 0.00 0.00 54.97 55.75 2a53 s GLU 203 Cb 0.11 -0.26 0.19 0.00 0.26 0.00 0.00 34.13 34.43 2a53 s GLU 203 CO 0.72 -0.30 1.09 -2.00 -0.54 0.00 0.00 175.26 174.23 2a53 s GLU 204 N 2.25 3.80 0.13 4.30 2.12 -1.26 -0.90 118.70 129.13 2a53 s GLU 204 Ca 0.02 -2.36 -0.17 0.00 0.36 0.00 0.00 54.97 52.82 2a53 s GLU 204 Cb -0.12 -4.75 -0.02 0.00 0.26 0.00 0.00 34.13 29.50 2a53 s GLU 204 CO -0.06 -1.55 1.70 0.28 -0.54 0.00 0.00 175.26 175.09 2a53 h VAL 205 N 4.94 1.17 -3.28 3.70 2.07 -1.72 -3.44 116.25 119.70 2a53 h VAL 205 Ca 0.18 -0.49 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 2a53 h VAL 205 Cb 0.97 0.84 -0.24 0.00 -1.52 0.00 0.00 31.29 31.34 2a53 h VAL 205 CO 1.02 0.18 -0.46 -1.61 0.02 0.00 0.00 177.57 176.72 2a53 s GLU 206 N -5.68 0.33 2.29 1.57 2.02 -0.94 -4.96 118.70 113.34 2a53 s GLU 206 Ca -0.13 0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.95 2a53 s GLU 206 Cb 0.10 0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.48 2a53 s GLU 206 CO 0.74 -0.06 0.00 1.63 0.02 0.00 0.00 175.26 177.58 2a53 n LYS 207 N 2.48 0.00 0.00 1.61 4.01 -1.26 -1.75 118.16 123.24 2a53 n LYS 207 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 2a53 n LYS 207 Cb 0.58 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.10 2a53 n LYS 207 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2a53 n GLY 208 N 0.00 2.89 0.00 0.72 0.00 -1.26 -4.81 105.19 102.74 2a53 n GLY 208 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2a53 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a53 n LYS 209 N 0.00 0.52 -3.69 1.61 5.02 -0.76 -5.09 118.16 115.77 2a53 n LYS 209 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2a53 n LYS 209 Cb 0.00 -0.56 -0.15 0.00 -0.02 0.00 0.00 35.03 34.30 2a53 n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a53 s TYR 211 N 1.96 0.85 -0.17 0.00 1.51 -1.26 -1.78 117.35 118.47 2a53 s TYR 211 Ca -0.01 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2a53 s TYR 211 Cb -0.12 -0.51 -0.01 0.00 -0.11 0.00 0.00 41.96 41.21 2a53 s TYR 211 CO -0.07 -0.02 -0.09 0.15 -1.11 0.00 0.00 175.55 174.42 2a53 s LYS 212 N -1.01 3.40 -0.06 -0.62 1.02 -0.08 -4.96 119.74 117.42 2a53 s LYS 212 Ca -0.02 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.35 2a53 s LYS 212 Cb -0.07 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2a53 s LYS 212 CO 0.01 0.03 -0.15 -1.14 -0.92 0.00 0.00 175.35 173.18 2a53 s GLN 213 N 0.85 1.83 0.04 1.68 0.74 -1.26 -1.23 119.66 122.32 2a53 s GLN 213 Ca -0.03 -0.52 0.04 0.00 0.05 0.00 0.00 55.36 54.90 2a53 s GLN 213 Cb -0.15 -1.52 -0.04 0.00 1.10 0.00 0.00 33.01 32.40 2a53 s GLN 213 CO 0.01 0.12 -0.02 -0.47 -0.55 0.00 0.00 175.29 174.38 2a53 s TYR 214 N 0.39 2.98 -0.04 1.67 5.04 -0.02 -4.97 117.35 122.40 2a53 s TYR 214 Ca -0.11 -0.00 -0.02 0.00 -2.44 0.00 0.00 57.07 54.49 2a53 s TYR 214 Cb -0.14 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.60 2a53 s TYR 214 CO 0.04 0.45 0.09 -2.00 -1.34 0.00 0.00 175.55 172.78 2a53 s GLU 215 N -1.86 0.07 -0.05 4.97 2.12 -1.26 -1.09 118.70 121.61 2a53 s GLU 215 Ca 0.21 0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.78 2a53 s GLU 215 Cb -0.11 -0.05 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 2a53 s GLU 215 CO 0.13 -0.07 -0.20 0.00 -0.54 0.00 0.00 175.26 174.58 2a53 s ALA 216 N 0.45 2.39 -0.01 6.30 0.00 -0.57 -4.98 121.76 125.34 2a53 s ALA 216 Ca -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.91 2a53 s ALA 216 Cb -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2a53 s ALA 216 CO -0.02 0.48 -0.03 0.00 0.00 0.00 0.00 175.76 176.19 2a53 s ALA 217 N -0.42 0.25 -0.05 0.00 0.00 -1.26 -0.79 121.76 119.49 2a53 s ALA 217 Ca 0.04 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 51.93 2a53 s ALA 217 Cb -0.12 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.93 2a53 s ALA 217 CO 0.02 0.04 -0.07 0.08 0.00 0.00 0.00 175.76 175.83 2a53 s VAL 218 N 0.07 0.71 -0.25 0.00 1.01 -0.71 -1.66 120.40 119.58 2a53 s VAL 218 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2a53 s VAL 218 Cb -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 2a53 s VAL 218 CO -0.00 0.26 0.23 -0.83 0.00 0.00 0.00 175.10 174.76 2a53 s GLY 219 N 0.82 1.97 0.27 4.51 0.00 -0.09 -0.83 107.32 113.97 2a53 s GLY 219 Ca -0.12 -0.88 -0.16 0.00 0.00 0.00 0.00 44.72 43.56 2a53 s GLY 219 CO 0.01 0.59 0.57 1.09 0.00 0.00 0.00 173.10 175.37 2a53 s ARG 220 N 1.39 1.67 0.64 2.90 1.70 0.16 -1.46 118.95 125.95 2a53 s ARG 220 Ca 0.10 -1.18 0.04 0.00 -0.47 0.00 0.00 55.73 54.22 2a53 s ARG 220 Cb -0.15 0.52 0.10 0.00 -0.57 0.00 0.00 34.95 34.86 2a53 s ARG 220 CO 0.07 -0.72 0.88 0.71 -1.08 0.00 0.00 175.30 175.16 2a53 s TYR 221 N -3.90 1.64 -1.13 5.89 4.12 -1.26 -0.91 117.35 121.79 2a53 s TYR 221 Ca 0.18 -0.45 -0.21 0.00 0.02 0.00 0.00 57.07 56.61 2a53 s TYR 221 Cb -0.03 -2.64 0.05 0.00 -1.52 0.00 0.00 41.96 37.83 2a53 s TYR 221 CO 0.09 -1.38 1.58 0.00 0.02 0.00 0.00 175.55 175.86 2a53 h ASP 223 N 8.92 0.00 0.79 0.00 2.03 -1.98 -3.34 116.42 122.84 2a53 h ASP 223 Ca 0.30 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.49 2a53 h ASP 223 Cb 0.95 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.44 2a53 h ASP 223 CO 1.44 0.39 -0.51 0.00 -1.03 0.00 0.00 179.24 179.52 2a53 h ALA 224 N 1.61 0.94 -2.90 4.15 0.00 -2.06 -3.35 119.26 117.65 2a53 h ALA 224 Ca -0.02 -0.47 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 2a53 h ALA 224 Cb 1.32 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.62 2a53 h ALA 224 CO 0.05 0.64 -0.71 0.00 0.00 0.00 0.00 179.25 179.22 2a53 s ALA 225 N -3.53 2.81 0.59 0.00 0.00 -1.25 -5.12 121.76 115.27 2a53 s ALA 225 Ca -0.00 -3.18 -0.16 0.00 0.00 0.00 0.00 51.96 48.62 2a53 s ALA 225 Cb 0.11 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2a53 s ALA 225 CO 0.73 -2.05 1.06 -1.25 0.00 0.00 0.00 175.76 174.25 2a53 s PRO 226 N -0.60 3.29 0.58 0.00 0.04 -1.26 -4.95 135.00 132.10 2a53 s PRO 226 Ca 0.25 1.23 -0.19 0.00 0.04 0.00 0.00 61.00 62.33 2a53 s PRO 226 Cb -0.08 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2a53 s PRO 226 CO -0.13 -0.84 1.23 0.45 0.04 0.00 0.00 177.00 177.76 2a53 s SER 227 N -2.73 5.21 0.00 6.66 0.15 -1.26 -4.95 113.70 116.78 2a53 s SER 227 Ca 0.64 2.45 0.26 0.00 0.70 0.00 0.00 55.95 60.01 2a53 s SER 227 Cb -0.17 -2.61 0.75 0.00 -1.71 0.00 0.00 66.02 62.28 2a53 s SER 227 CO 0.37 -1.58 1.56 0.29 1.20 0.00 0.00 173.24 175.07 2a53 n LYS 228 N -1.47 1.09 0.00 5.44 5.02 -1.26 -4.40 118.16 122.58 2a53 n LYS 228 Ca 0.13 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 2a53 n LYS 228 Cb 0.49 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2a53 n LYS 228 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2a53 n LEU 229 N -0.36 1.33 0.00 -0.35 4.77 -1.26 -5.00 117.00 116.13 2a53 n LEU 229 Ca 0.13 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 2a53 n LEU 229 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2a53 n LEU 229 CO 0.24 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2a53 n GLY 230 N -0.22 0.71 3.79 -0.72 0.00 -1.26 -5.05 105.19 102.43 2a53 n GLY 230 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2a53 n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a53 s HIS 231 N -2.43 2.90 -1.81 1.61 3.76 -1.26 -5.06 115.29 112.99 2a53 s HIS 231 Ca 0.00 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 2a53 s HIS 231 Cb 0.00 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.57 2a53 s HIS 231 CO 0.00 -1.09 0.45 0.09 -0.85 0.00 0.00 174.74 173.34