#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a50 n LYS 67 N 0.00 0.29 0.25 -1.46 4.76 -1.26 -2.61 118.16 118.12 2a50 n LYS 67 Ca 0.00 0.05 0.16 0.00 -2.87 0.00 0.00 58.31 55.66 2a50 n LYS 67 Cb 0.00 -1.50 0.65 0.00 -1.84 0.00 0.00 35.03 32.34 2a50 n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2a50 h THR 68 N 0.00 0.00 -3.02 -0.18 2.02 -2.03 -3.36 112.91 106.34 2a50 h THR 68 Ca 0.00 -0.44 -0.79 0.00 0.77 0.00 0.00 66.41 65.95 2a50 h THR 68 Cb 0.28 1.39 -0.29 0.00 -1.74 0.00 0.00 68.15 67.78 2a50 h THR 68 CO 0.00 0.00 0.60 0.49 0.37 0.00 0.00 175.52 176.98 2a50 n PHE 69 N -2.91 3.02 -4.14 3.16 3.01 -1.07 -4.87 117.46 113.66 2a50 n PHE 69 Ca 0.01 -3.00 -0.18 0.00 1.01 0.00 0.00 57.45 55.29 2a50 n PHE 69 Cb 0.29 -1.30 -0.16 0.00 -0.01 0.00 0.00 39.48 38.30 2a50 n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2a50 s ILE 70 N -2.43 0.45 -0.44 4.37 1.01 -1.26 -4.39 121.20 118.51 2a50 s ILE 70 Ca 0.31 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.60 2a50 s ILE 70 Cb 0.02 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 42.06 2a50 s ILE 70 CO 0.05 0.18 0.82 -0.75 0.00 0.00 0.00 174.94 175.25 2a50 s LYS 71 N 0.60 3.47 -0.11 2.79 2.20 -0.72 -4.91 119.74 123.05 2a50 s LYS 71 Ca -0.07 0.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.35 2a50 s LYS 71 Cb -0.11 -3.92 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 2a50 s LYS 71 CO -0.00 -1.12 0.53 0.71 -0.36 0.00 0.00 175.35 175.11 2a50 s TYR 72 N 3.39 3.51 0.48 4.03 2.02 -1.26 -0.69 117.35 128.84 2a50 s TYR 72 Ca 0.32 0.96 0.07 0.00 -0.37 0.00 0.00 57.07 58.04 2a50 s TYR 72 Cb -0.12 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.83 2a50 s TYR 72 CO 0.23 0.13 0.36 0.14 -1.57 0.00 0.00 175.55 174.84 2a50 s VAL 73 N 0.76 2.10 -1.95 0.71 -7.23 -0.14 -4.75 120.40 109.91 2a50 s VAL 73 Ca 0.28 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2a50 s VAL 73 Cb -0.16 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2a50 s VAL 73 CO 0.12 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.71 2a50 n SER 74 N -1.61 -5.53 -0.11 4.85 7.64 -1.26 -2.36 113.62 115.23 2a50 n SER 74 Ca 0.01 0.28 -0.01 0.00 1.01 0.00 0.00 58.87 60.15 2a50 n SER 74 Cb 0.63 -4.69 -0.01 0.00 -1.01 0.00 0.00 64.21 59.13 2a50 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a50 n GLY 75 N -0.73 0.41 3.69 0.23 0.00 -1.26 -4.97 105.19 102.55 2a50 n GLY 75 Ca -0.22 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2a50 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a50 s ILE 76 N -1.68 2.82 0.67 -0.61 1.01 -0.99 -4.96 121.20 117.46 2a50 s ILE 76 Ca 0.00 0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.72 2a50 s ILE 76 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.32 2a50 s ILE 76 CO 0.00 -0.00 1.25 -2.84 0.00 0.00 0.00 174.94 173.35 2a50 s PRO 77 N 2.95 2.43 -0.48 2.79 0.02 -1.26 -4.81 135.00 136.64 2a50 s PRO 77 Ca 0.79 1.93 -0.06 0.00 0.02 0.00 0.00 61.00 63.68 2a50 s PRO 77 Cb -0.43 -1.85 0.12 0.00 0.02 0.00 0.00 34.50 32.37 2a50 s PRO 77 CO 0.35 -1.66 0.32 0.34 -0.33 0.00 0.00 177.00 176.02 2a50 s ASP 78 N -1.64 5.52 0.35 2.53 -1.08 -1.26 -4.55 116.67 116.54 2a50 s ASP 78 Ca 0.79 -2.10 0.03 0.00 -0.52 0.00 0.00 52.55 50.76 2a50 s ASP 78 Cb -0.34 -1.93 0.65 0.00 -1.46 0.00 0.00 42.92 39.84 2a50 s ASP 78 CO 0.41 -0.60 1.98 0.22 0.52 0.00 0.00 175.17 177.70 2a50 h TYR 79 N 8.11 0.70 0.00 -5.34 3.20 -1.94 -1.68 116.97 120.03 2a50 h TYR 79 Ca -0.15 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 2a50 h TYR 79 Cb 1.05 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2a50 h TYR 79 CO 0.63 0.49 -0.00 0.74 -1.64 0.00 0.00 178.16 178.38 2a50 h PHE 80 N 0.72 -0.00 -0.40 -3.82 -1.00 -1.92 -3.04 116.94 107.48 2a50 h PHE 80 Ca 0.19 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.91 2a50 h PHE 80 Cb 0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 2a50 h PHE 80 CO 0.00 0.79 0.00 0.87 -1.61 0.00 0.00 178.31 178.37 2a50 h LYS 81 N -0.80 0.63 0.00 1.51 1.57 -1.87 -1.97 116.57 115.64 2a50 h LYS 81 Ca -0.00 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2a50 h LYS 81 Cb 0.79 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2a50 h LYS 81 CO 0.00 0.65 -0.02 1.96 -0.57 0.00 0.00 179.45 181.48 2a50 h GLN 82 N 0.60 0.00 0.00 3.15 4.20 -1.36 -3.09 115.11 118.62 2a50 h GLN 82 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2a50 h GLN 82 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2a50 h GLN 82 CO 0.01 0.02 0.00 0.43 -0.67 0.00 0.00 178.83 178.62 2a50 n SER 83 N -3.37 0.42 -4.83 1.46 7.64 -0.74 -4.85 113.62 109.35 2a50 n SER 83 Ca -0.03 0.55 -0.33 0.00 1.01 0.00 0.00 58.87 60.07 2a50 n SER 83 Cb 0.11 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 2a50 n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a50 s PHE 84 N -3.07 3.34 -0.90 1.43 0.40 -1.17 -0.89 117.98 117.13 2a50 s PHE 84 Ca 0.11 1.57 0.28 0.00 -0.60 0.00 0.00 56.93 58.29 2a50 s PHE 84 Cb 0.15 -2.82 1.07 0.00 0.51 0.00 0.00 43.02 41.92 2a50 s PHE 84 CO 0.54 -0.15 1.87 -0.35 0.70 0.00 0.00 175.22 177.82 2a50 n PRO 85 N -0.81 0.10 -0.25 0.24 -0.04 -1.26 -4.86 135.00 128.12 2a50 n PRO 85 Ca 0.07 0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2a50 n PRO 85 Cb 0.54 -1.62 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2a50 n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a50 h GLU 86 N 0.00 0.85 0.00 0.54 3.07 -1.88 -3.39 114.58 113.77 2a50 h GLU 86 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 2a50 h GLU 86 Cb 0.58 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2a50 h GLU 86 CO 0.00 0.56 0.00 0.41 -1.40 0.00 0.00 179.01 178.58 2a50 n GLY 87 N -1.29 -1.81 3.75 -3.84 0.00 -0.07 -4.76 105.19 97.17 2a50 n GLY 87 Ca 0.07 -1.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 2a50 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a50 s PHE 88 N 0.00 -0.04 0.29 1.61 -0.71 -0.81 -1.37 117.98 116.95 2a50 s PHE 88 Ca 0.00 -0.38 0.07 0.00 -1.04 0.00 0.00 56.93 55.59 2a50 s PHE 88 Cb 0.00 0.54 -0.06 0.00 -1.21 0.00 0.00 43.02 42.29 2a50 s PHE 88 CO 0.00 -1.14 -0.07 0.95 -1.34 0.00 0.00 175.22 173.62 2a50 s THR 89 N -3.94 1.79 0.04 -4.49 -4.23 -0.16 -0.80 115.64 103.86 2a50 s THR 89 Ca 0.14 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 2a50 s THR 89 Cb -0.04 -2.48 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 2a50 s THR 89 CO 0.06 -0.28 -0.01 -1.66 -0.54 0.00 0.00 174.62 172.19 2a50 s TRP 90 N -2.91 0.41 -0.03 3.99 1.48 -0.62 -0.79 118.94 120.47 2a50 s TRP 90 Ca 0.30 -0.87 -0.06 0.00 -1.06 0.00 0.00 56.10 54.42 2a50 s TRP 90 Cb 0.03 -0.31 0.01 0.00 -1.16 0.00 0.00 33.47 32.04 2a50 s TRP 90 CO 0.13 -0.34 0.14 -1.83 -4.06 0.00 0.00 176.95 170.99 2a50 s GLU 91 N -3.17 0.28 -0.22 3.25 -1.05 -0.50 -0.75 118.70 116.54 2a50 s GLU 91 Ca 0.00 -0.04 -0.20 0.00 -0.15 0.00 0.00 54.97 54.58 2a50 s GLU 91 Cb 0.02 0.12 0.06 0.00 -0.44 0.00 0.00 34.13 33.90 2a50 s GLU 91 CO -0.07 -0.05 0.58 0.50 0.95 0.00 0.00 175.26 177.16 2a50 s ARG 92 N -0.49 0.67 -0.13 -4.83 3.52 -0.50 -1.12 118.95 116.08 2a50 s ARG 92 Ca -0.06 0.80 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 2a50 s ARG 92 Cb -0.04 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 2a50 s ARG 92 CO 0.01 -0.08 -0.21 0.99 -0.81 0.00 0.00 175.30 175.20 2a50 s THR 93 N 0.31 2.22 -0.25 4.11 2.01 -0.70 -0.82 115.64 122.53 2a50 s THR 93 Ca -0.00 -0.94 -0.09 0.00 0.31 0.00 0.00 61.69 60.97 2a50 s THR 93 Cb -0.04 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2a50 s THR 93 CO 0.01 0.55 0.12 -0.89 -0.69 0.00 0.00 174.62 173.71 2a50 s THR 94 N 0.65 4.85 -0.28 -0.82 2.01 0.41 -1.26 115.64 121.20 2a50 s THR 94 Ca -0.10 0.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 2a50 s THR 94 Cb -0.16 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 2a50 s THR 94 CO 0.02 0.33 0.08 0.42 -0.69 0.00 0.00 174.62 174.79 2a50 s THR 95 N 1.36 4.20 0.25 -0.82 -4.23 -0.10 -1.07 115.64 115.24 2a50 s THR 95 Ca 0.06 -0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 2a50 s THR 95 Cb -0.15 -3.07 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 2a50 s THR 95 CO 0.05 0.20 0.67 -0.31 -0.54 0.00 0.00 174.62 174.70 2a50 s TYR 96 N 1.57 3.50 0.24 3.99 1.51 0.11 -1.41 117.35 126.86 2a50 s TYR 96 Ca 0.05 1.18 0.36 0.00 -1.01 0.00 0.00 57.07 57.65 2a50 s TYR 96 Cb -0.16 -2.48 1.73 0.00 -0.11 0.00 0.00 41.96 40.93 2a50 s TYR 96 CO 0.03 0.25 2.09 1.05 -1.11 0.00 0.00 175.55 177.86 2a50 h GLU 97 N 2.84 0.00 -0.71 -0.62 4.11 -1.49 -1.86 114.58 116.86 2a50 h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2a50 h GLU 97 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2a50 h GLU 97 CO 0.66 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.34 2a50 n ASP 98 N -2.95 4.30 0.00 3.06 5.75 -1.26 -4.95 116.55 120.49 2a50 n ASP 98 Ca -0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 2a50 n ASP 98 Cb 0.19 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2a50 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a50 n GLY 99 N 1.46 1.05 3.78 6.12 0.00 -0.70 -4.52 105.19 112.39 2a50 n GLY 99 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2a50 n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a50 s GLY 100 N -2.09 2.33 -0.00 -0.02 0.00 -1.21 -4.57 107.32 101.76 2a50 s GLY 100 Ca 0.00 0.63 0.04 0.00 0.00 0.00 0.00 44.72 45.38 2a50 s GLY 100 CO 0.00 0.97 -0.12 -1.36 0.00 0.00 0.00 173.10 172.59 2a50 s PHE 101 N -2.14 1.09 -0.16 1.90 0.40 -0.07 -0.72 117.98 118.28 2a50 s PHE 101 Ca 0.69 -0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.79 2a50 s PHE 101 Cb -0.21 -0.69 0.04 0.00 0.51 0.00 0.00 43.02 42.67 2a50 s PHE 101 CO 0.35 -0.01 -0.03 -1.17 0.70 0.00 0.00 175.22 175.06 2a50 s LEU 102 N -0.36 1.42 -0.08 -0.37 1.98 -0.23 -1.03 118.68 120.00 2a50 s LEU 102 Ca 0.04 -0.64 0.00 0.00 -2.89 0.00 0.00 54.13 50.64 2a50 s LEU 102 Cb -0.05 -0.79 -0.03 0.00 0.66 0.00 0.00 46.19 45.98 2a50 s LEU 102 CO -0.00 -0.22 -0.06 -0.89 -1.89 0.00 0.00 176.35 173.29 2a50 s THR 103 N 1.72 3.73 0.03 3.68 2.01 0.28 -0.45 115.64 126.63 2a50 s THR 103 Ca 0.01 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 2a50 s THR 103 Cb -0.15 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2a50 s THR 103 CO -0.07 0.58 -0.03 0.00 -0.69 0.00 0.00 174.62 174.41 2a50 s ALA 104 N -0.59 0.18 -0.02 7.40 0.00 0.00 -0.62 121.76 128.11 2a50 s ALA 104 Ca 0.09 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2a50 s ALA 104 Cb -0.12 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2a50 s ALA 104 CO 0.02 -0.20 -0.16 -1.58 0.00 0.00 0.00 175.76 173.84 2a50 s HIS 105 N -1.92 1.49 -0.00 0.00 2.46 -0.30 -1.41 115.29 115.61 2a50 s HIS 105 Ca -0.12 -0.33 0.01 0.00 0.47 0.00 0.00 55.06 55.10 2a50 s HIS 105 Cb -0.07 -0.98 -0.00 0.00 -0.13 0.00 0.00 32.58 31.40 2a50 s HIS 105 CO -0.03 -0.06 -0.04 -1.14 -2.47 0.00 0.00 174.74 171.00 2a50 s GLN 106 N -0.24 0.33 -0.11 2.88 -0.44 0.07 -1.07 119.66 121.07 2a50 s GLN 106 Ca 0.03 -0.15 0.01 0.00 -2.50 0.00 0.00 55.36 52.75 2a50 s GLN 106 Cb -0.08 -0.32 -0.02 0.00 -1.64 0.00 0.00 33.01 30.95 2a50 s GLN 106 CO 0.00 0.09 -0.13 0.34 0.50 0.00 0.00 175.29 176.09 2a50 s ASP 107 N -0.10 4.04 -0.18 6.67 -1.08 -0.29 -1.59 116.67 124.14 2a50 s ASP 107 Ca 0.02 -0.29 -0.00 0.00 -0.52 0.00 0.00 52.55 51.75 2a50 s ASP 107 Cb -0.02 -1.45 0.00 0.00 -1.46 0.00 0.00 42.92 40.00 2a50 s ASP 107 CO -0.00 0.21 -0.15 -0.89 0.52 0.00 0.00 175.17 174.86 2a50 s THR 108 N 0.11 2.61 0.29 1.71 2.01 0.02 -1.52 115.64 120.88 2a50 s THR 108 Ca -0.06 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2a50 s THR 108 Cb -0.15 -2.12 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 2a50 s THR 108 CO 0.05 0.50 0.07 -0.94 -0.69 0.00 0.00 174.62 173.61 2a50 s SER 109 N 1.09 1.85 -0.18 3.53 1.04 -0.52 -1.93 113.70 118.59 2a50 s SER 109 Ca 0.00 -1.38 0.01 0.00 0.48 0.00 0.00 55.95 55.06 2a50 s SER 109 Cb -0.14 0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.04 2a50 s SER 109 CO -0.05 -0.66 -0.10 -0.22 0.98 0.00 0.00 173.24 173.19 2a50 s LEU 110 N -3.41 2.06 -0.61 2.42 2.96 -1.26 -0.76 118.68 120.07 2a50 s LEU 110 Ca 0.37 -0.77 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2a50 s LEU 110 Cb 0.08 -1.17 0.16 0.00 0.50 0.00 0.00 46.19 45.76 2a50 s LEU 110 CO 0.15 -0.13 0.46 -0.62 -1.32 0.00 0.00 176.35 174.88 2a50 s ASP 111 N 1.45 5.65 1.70 3.68 3.68 -0.08 -4.98 116.67 127.77 2a50 s ASP 111 Ca 0.00 -2.53 0.00 0.00 2.13 0.00 0.00 52.55 52.15 2a50 s ASP 111 Cb -0.15 -1.96 0.00 0.00 -1.45 0.00 0.00 42.92 39.36 2a50 s ASP 111 CO -0.09 -0.50 0.00 0.61 0.13 0.00 0.00 175.17 175.32 2a50 n GLY 112 N 4.01 1.37 0.51 2.66 0.00 -1.26 -2.03 105.19 110.45 2a50 n GLY 112 Ca 0.04 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.42 2a50 n GLY 112 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a50 n ASP 113 N 11.33 1.95 -4.25 1.61 -0.08 -1.26 -4.95 116.55 120.90 2a50 n ASP 113 Ca 0.00 -1.47 -0.32 0.00 -1.51 0.00 0.00 54.79 51.49 2a50 n ASP 113 Cb 0.00 0.33 -0.16 0.00 2.34 0.00 0.00 41.12 43.62 2a50 n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2a50 s LEU 115 N 0.28 4.54 -0.09 0.00 1.43 -1.26 -0.90 118.68 122.68 2a50 s LEU 115 Ca -0.16 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 2a50 s LEU 115 Cb -0.17 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.44 2a50 s LEU 115 CO 0.08 -0.18 -0.13 -0.69 0.23 0.00 0.00 176.35 175.66 2a50 s VAL 116 N -1.05 1.26 -0.09 -1.59 1.01 0.06 -4.92 120.40 115.07 2a50 s VAL 116 Ca 0.45 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.92 2a50 s VAL 116 Cb -0.32 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 2a50 s VAL 116 CO 0.41 0.39 -0.11 -0.31 0.00 0.00 0.00 175.10 175.48 2a50 s TYR 117 N 0.90 2.83 -0.15 5.22 2.02 -1.26 -1.43 117.35 125.48 2a50 s TYR 117 Ca -0.10 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2a50 s TYR 117 Cb -0.15 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 2a50 s TYR 117 CO 0.01 0.06 -0.16 0.15 -1.57 0.00 0.00 175.55 174.03 2a50 s LYS 118 N -0.25 2.47 -0.05 -0.62 1.02 -0.57 -4.98 119.74 116.76 2a50 s LYS 118 Ca 0.02 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.43 2a50 s LYS 118 Cb -0.13 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 2a50 s LYS 118 CO 0.03 -0.19 -0.21 0.08 -0.92 0.00 0.00 175.35 174.14 2a50 s VAL 119 N 1.33 1.74 -0.09 3.17 1.01 -1.26 -1.14 120.40 125.16 2a50 s VAL 119 Ca 0.03 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2a50 s VAL 119 Cb -0.13 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2a50 s VAL 119 CO -0.09 0.49 -0.22 -0.54 0.00 0.00 0.00 175.10 174.74 2a50 s LYS 120 N -0.03 2.98 -0.04 2.72 1.02 -0.24 -5.00 119.74 121.15 2a50 s LYS 120 Ca -0.05 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.14 2a50 s LYS 120 Cb -0.13 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 2a50 s LYS 120 CO 0.03 0.25 -0.13 0.42 -0.92 0.00 0.00 175.35 175.00 2a50 s ILE 121 N 0.18 1.15 -0.14 2.17 1.01 -1.26 -1.15 121.20 123.16 2a50 s ILE 121 Ca -0.12 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 2a50 s ILE 121 Cb -0.16 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.33 2a50 s ILE 121 CO 0.07 0.35 -0.02 -0.76 0.00 0.00 0.00 174.94 174.57 2a50 s LEU 122 N 0.24 1.18 0.04 2.97 1.43 0.21 -5.01 118.68 119.74 2a50 s LEU 122 Ca -0.06 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 2a50 s LEU 122 Cb -0.12 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 2a50 s LEU 122 CO 0.02 -0.20 -0.22 -0.83 0.23 0.00 0.00 176.35 175.34 2a50 s GLY 123 N 1.78 1.49 0.19 -3.19 0.00 -1.26 -0.56 107.32 105.78 2a50 s GLY 123 Ca 0.02 -1.23 -0.18 0.00 0.00 0.00 0.00 44.72 43.32 2a50 s GLY 123 CO -0.07 -1.12 0.54 0.54 0.00 0.00 0.00 173.10 172.99 2a50 s ASN 124 N -1.34 -0.30 -1.06 1.64 2.20 -0.20 -4.95 114.94 110.93 2a50 s ASN 124 Ca 0.13 -0.40 0.00 0.00 -0.94 0.00 0.00 52.86 51.65 2a50 s ASN 124 Cb -0.10 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.73 2a50 s ASN 124 CO 0.04 -1.04 0.00 0.59 -2.94 0.00 0.00 177.10 173.74 2a50 n ASN 125 N -0.34 -5.31 -4.71 3.54 3.02 -1.26 -0.89 115.26 109.31 2a50 n ASN 125 Ca -0.11 0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 2a50 n ASN 125 Cb 0.63 -3.69 -0.03 0.00 -0.61 0.00 0.00 39.78 36.08 2a50 n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a50 s PHE 126 N -2.00 3.11 0.37 3.10 0.08 -1.26 -3.30 117.98 118.07 2a50 s PHE 126 Ca 0.00 0.90 -0.28 0.00 0.12 0.00 0.00 56.93 57.67 2a50 s PHE 126 Cb 0.00 -3.68 -0.10 0.00 -0.57 0.00 0.00 43.02 38.67 2a50 s PHE 126 CO 0.00 -2.43 1.40 -1.25 -0.10 0.00 0.00 175.22 172.84 2a50 s PRO 127 N 1.53 4.14 0.40 0.24 0.04 -1.26 -4.88 135.00 135.21 2a50 s PRO 127 Ca 0.65 2.38 0.08 0.00 0.04 0.00 0.00 61.00 64.15 2a50 s PRO 127 Cb -0.35 -2.95 0.83 0.00 0.04 0.00 0.00 34.50 32.07 2a50 s PRO 127 CO 0.29 -0.43 2.01 0.00 0.04 0.00 0.00 177.00 178.91 2a50 h ALA 128 N 3.04 1.64 -0.18 8.56 0.00 -1.98 -1.71 119.26 128.63 2a50 h ALA 128 Ca -0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2a50 h ALA 128 Cb 1.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2a50 h ALA 128 CO 0.64 0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.78 2a50 n ASP 129 N -4.42 1.61 -4.93 0.00 3.85 -1.26 -4.26 116.55 107.13 2a50 n ASP 129 Ca 0.02 -1.74 -0.25 0.00 -0.71 0.00 0.00 54.79 52.11 2a50 n ASP 129 Cb 0.12 -0.12 0.05 0.00 -1.35 0.00 0.00 41.12 39.82 2a50 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2a50 s GLY 130 N -1.48 1.68 0.45 6.12 0.00 -0.64 -4.87 107.32 108.58 2a50 s GLY 130 Ca 0.31 -0.93 0.11 0.00 0.00 0.00 0.00 44.72 44.21 2a50 s GLY 130 CO 0.24 -0.60 2.07 -2.55 0.00 0.00 0.00 173.10 172.26 2a50 h PRO 131 N -0.29 0.24 0.48 2.90 0.11 -1.87 -1.27 132.00 132.30 2a50 h PRO 131 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2a50 h PRO 131 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2a50 h PRO 131 CO 0.59 0.20 -0.23 0.28 -0.21 0.00 0.00 178.00 178.63 2a50 h VAL 132 N 0.25 0.38 0.00 3.15 2.07 -1.89 -0.91 116.25 119.30 2a50 h VAL 132 Ca 0.06 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2a50 h VAL 132 Cb 0.05 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2a50 h VAL 132 CO -0.01 0.06 -0.13 0.24 0.02 0.00 0.00 177.57 177.76 2a50 h MET 133 N -0.97 0.00 -0.00 1.57 2.86 -1.74 -1.82 114.93 114.83 2a50 h MET 133 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2a50 h MET 133 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 2a50 h MET 133 CO 0.11 0.13 -0.08 1.04 1.06 0.00 0.00 176.91 179.16 2a50 n GLN 134 N -3.24 0.24 -3.74 1.72 1.13 -0.49 -4.95 117.38 108.06 2a50 n GLN 134 Ca 0.01 -0.04 -0.23 0.00 -1.94 0.00 0.00 57.00 54.80 2a50 n GLN 134 Cb 0.41 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.29 2a50 n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2a50 n ASN 135 N -1.34 -1.86 -2.85 1.08 4.05 -0.68 -4.93 115.26 108.73 2a50 n ASN 135 Ca 0.10 -0.81 -0.19 0.00 0.45 0.00 0.00 54.58 54.13 2a50 n ASN 135 Cb 0.30 -4.04 -0.01 0.00 1.23 0.00 0.00 39.78 37.26 2a50 n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2a50 n LYS 136 N -4.36 1.99 -4.03 1.20 4.76 -0.42 -5.06 118.16 112.25 2a50 n LYS 136 Ca -0.24 -3.89 -0.27 0.00 -2.87 0.00 0.00 58.31 51.05 2a50 n LYS 136 Cb 0.65 -1.80 -0.05 0.00 -1.84 0.00 0.00 35.03 31.99 2a50 n LYS 136 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a50 s ALA 137 N -3.07 3.73 0.00 7.82 0.00 -1.25 -4.38 121.76 124.61 2a50 s ALA 137 Ca 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2a50 s ALA 137 Cb 0.37 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2a50 s ALA 137 CO -0.08 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.63 2a50 n GLY 138 N -0.34 0.28 3.48 0.00 0.00 0.11 -4.93 105.19 103.79 2a50 n GLY 138 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2a50 n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a50 s ARG 139 N 0.00 1.12 0.13 1.61 1.70 -1.03 -4.97 118.95 117.51 2a50 s ARG 139 Ca 0.00 -0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.88 2a50 s ARG 139 Cb 0.00 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.84 2a50 s ARG 139 CO 0.00 -0.42 0.96 -1.58 -1.08 0.00 0.00 175.30 173.18 2a50 s TRP 140 N -2.35 3.82 0.82 5.89 0.52 -1.26 -0.38 118.94 126.01 2a50 s TRP 140 Ca -0.05 1.81 -0.11 0.00 0.02 0.00 0.00 56.10 57.77 2a50 s TRP 140 Cb -0.00 -3.06 0.09 0.00 -1.15 0.00 0.00 33.47 29.34 2a50 s TRP 140 CO -0.01 0.20 1.10 -1.21 0.02 0.00 0.00 176.95 177.05 2a50 s GLU 141 N -0.13 1.86 0.76 4.98 0.41 -0.46 -4.78 118.70 121.33 2a50 s GLU 141 Ca 0.46 1.16 -0.15 0.00 -0.41 0.00 0.00 54.97 56.04 2a50 s GLU 141 Cb -0.24 -1.85 0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2a50 s GLU 141 CO 0.30 -1.92 1.23 -2.14 -0.49 0.00 0.00 175.26 172.24 2a50 s PRO 142 N -4.87 1.92 0.07 0.39 0.02 -1.26 -4.71 135.00 126.56 2a50 s PRO 142 Ca 0.62 1.85 0.06 0.00 0.02 0.00 0.00 61.00 63.55 2a50 s PRO 142 Cb -0.18 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 2a50 s PRO 142 CO 0.57 -2.03 -0.15 0.00 -0.33 0.00 0.00 177.00 175.05 2a50 s ALA 143 N -1.91 1.29 -0.22 -1.55 0.00 0.09 -4.86 121.76 114.59 2a50 s ALA 143 Ca 0.76 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.71 2a50 s ALA 143 Cb -0.31 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2a50 s ALA 143 CO 0.47 0.21 -0.14 0.99 0.00 0.00 0.00 175.76 177.29 2a50 s THR 144 N -1.19 2.32 -0.05 0.00 2.01 -1.26 -0.25 115.64 117.21 2a50 s THR 144 Ca -0.00 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 60.74 2a50 s THR 144 Cb -0.10 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 2a50 s THR 144 CO 0.02 0.29 0.28 -0.70 -0.69 0.00 0.00 174.62 173.83 2a50 s GLU 145 N 1.25 3.69 -0.08 4.92 2.12 0.03 -4.32 118.70 126.30 2a50 s GLU 145 Ca -0.00 0.15 -0.14 0.00 0.36 0.00 0.00 54.97 55.34 2a50 s GLU 145 Cb -0.16 -3.20 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2a50 s GLU 145 CO -0.08 0.73 0.36 0.96 -0.54 0.00 0.00 175.26 176.69 2a50 s ILE 146 N -1.06 5.19 -0.05 -3.70 -4.36 0.13 -0.54 121.20 116.81 2a50 s ILE 146 Ca 0.20 0.71 0.01 0.00 -0.26 0.00 0.00 60.65 61.31 2a50 s ILE 146 Cb -0.14 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.91 2a50 s ILE 146 CO 0.09 0.48 -0.06 -0.69 0.24 0.00 0.00 174.94 175.00 2a50 s VAL 147 N -0.31 0.68 0.01 8.37 1.01 -0.42 -1.47 120.40 128.28 2a50 s VAL 147 Ca 0.21 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 2a50 s VAL 147 Cb -0.15 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.61 2a50 s VAL 147 CO 0.09 0.26 0.63 -0.72 0.00 0.00 0.00 175.10 175.36 2a50 s TYR 148 N 0.91 -0.59 0.12 5.22 1.13 -0.32 -1.88 117.35 121.95 2a50 s TYR 148 Ca -0.11 0.83 -0.30 0.00 -1.41 0.00 0.00 57.07 56.08 2a50 s TYR 148 Cb -0.15 0.43 -0.06 0.00 -1.10 0.00 0.00 41.96 41.08 2a50 s TYR 148 CO 0.01 -0.66 1.04 -2.00 -2.51 0.00 0.00 175.55 171.42 2a50 s GLU 149 N -1.96 4.62 -0.09 -3.49 2.12 -1.26 -0.37 118.70 118.27 2a50 s GLU 149 Ca -0.08 1.58 -0.08 0.00 0.36 0.00 0.00 54.97 56.75 2a50 s GLU 149 Cb -0.00 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 31.06 2a50 s GLU 149 CO 0.03 0.09 0.24 0.08 -0.54 0.00 0.00 175.26 175.15 2a50 s VAL 150 N 0.13 -0.00 -1.55 3.70 1.01 -0.22 -4.88 120.40 118.59 2a50 s VAL 150 Ca 0.50 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 2a50 s VAL 150 Cb -0.26 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2a50 s VAL 150 CO 0.31 0.00 0.06 0.47 0.00 0.00 0.00 175.10 175.95 2a50 n ASP 151 N 3.03 -5.31 -0.53 3.32 8.00 -1.26 -1.31 116.55 122.49 2a50 n ASP 151 Ca -0.13 0.01 -0.07 0.00 0.71 0.00 0.00 54.79 55.31 2a50 n ASP 151 Cb 0.58 -4.43 -0.03 0.00 -0.02 0.00 0.00 41.12 37.23 2a50 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a50 n GLY 152 N -1.00 0.81 1.35 0.44 0.00 -1.26 -4.98 105.19 100.55 2a50 n GLY 152 Ca -0.20 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2a50 n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a50 n VAL 153 N -2.46 0.00 -4.42 1.61 0.24 -0.43 -4.75 118.33 108.11 2a50 n VAL 153 Ca -0.07 -0.97 -0.34 0.00 -2.04 0.00 0.00 64.34 60.92 2a50 n VAL 153 Cb 0.40 0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 33.03 2a50 n VAL 153 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a50 s LEU 154 N 0.00 3.36 -0.09 1.34 1.02 -1.00 -1.06 118.68 122.25 2a50 s LEU 154 Ca 0.10 -0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.22 2a50 s LEU 154 Cb 0.00 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 2a50 s LEU 154 CO 0.07 0.28 0.00 -0.13 0.02 0.00 0.00 176.35 176.59 2a50 s ARG 155 N -0.29 3.04 0.08 1.70 1.81 0.51 -0.38 118.95 125.41 2a50 s ARG 155 Ca 0.05 -0.41 0.08 0.00 -1.72 0.00 0.00 55.73 53.73 2a50 s ARG 155 Cb -0.12 -2.81 -0.03 0.00 -0.45 0.00 0.00 34.95 31.53 2a50 s ARG 155 CO 0.02 0.67 -0.22 0.20 -0.68 0.00 0.00 175.30 175.30 2a50 s GLY 156 N -0.79 1.22 -0.01 -3.53 0.00 -0.29 -1.17 107.32 102.75 2a50 s GLY 156 Ca 0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 2a50 s GLY 156 CO 0.02 -1.15 0.08 1.20 0.00 0.00 0.00 173.10 173.26 2a50 s GLN 157 N -1.58 0.29 0.10 2.90 -0.21 -0.54 -0.76 119.66 119.86 2a50 s GLN 157 Ca 0.08 -0.23 -0.09 0.00 0.02 0.00 0.00 55.36 55.14 2a50 s GLN 157 Cb -0.09 0.12 -0.00 0.00 1.00 0.00 0.00 33.01 34.03 2a50 s GLN 157 CO 0.03 -0.06 0.22 -1.54 -2.12 0.00 0.00 175.29 171.82 2a50 s SER 158 N -0.81 0.09 -0.19 5.90 1.04 -0.98 -0.69 113.70 118.06 2a50 s SER 158 Ca -0.09 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.61 2a50 s SER 158 Cb -0.05 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2a50 s SER 158 CO 0.00 -0.77 0.01 -0.76 0.98 0.00 0.00 173.24 172.71 2a50 s LEU 159 N -2.88 3.35 0.21 2.42 1.43 -1.26 -0.59 118.68 121.37 2a50 s LEU 159 Ca 0.07 -0.15 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 2a50 s LEU 159 Cb 0.04 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2a50 s LEU 159 CO -0.09 0.09 -0.13 -0.04 0.23 0.00 0.00 176.35 176.41 2a50 s MET 160 N 0.83 1.92 -0.09 1.70 -1.94 -0.28 -4.49 119.30 116.95 2a50 s MET 160 Ca 0.01 -1.42 -0.02 0.00 -1.71 0.00 0.00 55.69 52.55 2a50 s MET 160 Cb -0.14 -2.03 0.03 0.00 2.01 0.00 0.00 34.83 34.70 2a50 s MET 160 CO 0.02 0.40 0.01 0.00 -0.01 0.00 0.00 175.02 175.44 2a50 s ALA 161 N -1.90 0.72 -0.39 3.03 0.00 -1.26 -1.09 121.76 120.87 2a50 s ALA 161 Ca 0.26 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 2a50 s ALA 161 Cb -0.08 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.23 2a50 s ALA 161 CO 0.15 -0.60 0.48 -1.17 0.00 0.00 0.00 175.76 174.61 2a50 s LEU 162 N 1.97 4.57 0.16 0.00 2.96 0.07 -1.35 118.68 127.06 2a50 s LEU 162 Ca 0.04 -0.35 -0.31 0.00 -0.22 0.00 0.00 54.13 53.30 2a50 s LEU 162 Cb -0.13 -2.49 -0.08 0.00 0.50 0.00 0.00 46.19 43.99 2a50 s LEU 162 CO -0.06 -0.53 1.36 -0.54 -1.32 0.00 0.00 176.35 175.25 2a50 s LYS 163 N 2.29 4.35 0.12 1.98 1.02 0.49 -0.71 119.74 129.28 2a50 s LYS 163 Ca 0.16 2.08 0.03 0.00 0.02 0.00 0.00 55.97 58.26 2a50 s LYS 163 Cb -0.16 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2a50 s LYS 163 CO 0.14 -0.35 -0.09 0.00 -0.92 0.00 0.00 175.35 174.13 2a50 n PRO 165 N -0.02 0.26 -1.03 0.00 -0.02 -1.26 -2.16 135.00 130.77 2a50 n PRO 165 Ca -0.12 0.11 -0.01 0.00 -2.02 0.00 0.00 63.50 61.46 2a50 n PRO 165 Cb 0.60 -1.52 -0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2a50 n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a50 n GLY 166 N 2.06 0.48 2.27 -1.23 0.00 -1.26 -3.62 105.19 103.88 2a50 n GLY 166 Ca 0.09 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 2a50 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a50 n GLY 167 N -2.83 0.00 3.86 -0.02 0.00 -1.20 -5.01 105.19 99.99 2a50 n GLY 167 Ca -0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2a50 n GLY 167 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a50 s ARG 168 N -4.49 3.89 -0.17 1.61 3.52 -0.92 -4.97 118.95 117.43 2a50 s ARG 168 Ca 0.00 0.38 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 2a50 s ARG 168 Cb 0.00 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.58 2a50 s ARG 168 CO 0.00 0.42 -0.19 -1.01 -0.81 0.00 0.00 175.30 173.71 2a50 s HIS 169 N -1.61 2.75 -0.43 5.12 3.76 -1.26 -1.03 115.29 122.60 2a50 s HIS 169 Ca 0.41 -1.41 -0.17 0.00 -0.15 0.00 0.00 55.06 53.74 2a50 s HIS 169 Cb -0.13 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.69 2a50 s HIS 169 CO 0.20 -0.68 0.46 -1.17 -0.85 0.00 0.00 174.74 172.70 2a50 s LEU 170 N 1.07 4.91 0.32 0.89 2.96 0.11 -4.89 118.68 124.06 2a50 s LEU 170 Ca -0.01 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 2a50 s LEU 170 Cb -0.14 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 2a50 s LEU 170 CO -0.07 -0.63 0.48 0.42 -1.32 0.00 0.00 176.35 175.24 2a50 s THR 171 N 2.18 4.83 0.17 3.68 -4.23 -1.26 -0.75 115.64 120.25 2a50 s THR 171 Ca 0.12 -0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 59.75 2a50 s THR 171 Cb -0.18 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 69.94 2a50 s THR 171 CO 0.13 -0.37 0.37 0.00 -0.54 0.00 0.00 174.62 174.21 2a50 s HIS 173 N -3.91 2.07 -0.11 0.00 5.04 -0.50 -1.13 115.29 116.75 2a50 s HIS 173 Ca 0.12 -1.19 -0.14 0.00 -1.54 0.00 0.00 55.06 52.31 2a50 s HIS 173 Cb 0.02 -1.53 -0.05 0.00 0.04 0.00 0.00 32.58 31.06 2a50 s HIS 173 CO -0.03 -0.65 0.34 -0.51 -2.34 0.00 0.00 174.74 171.54 2a50 s LEU 174 N 1.52 4.33 -0.23 8.88 1.02 0.25 -0.92 118.68 133.52 2a50 s LEU 174 Ca 0.04 0.67 0.01 0.00 0.02 0.00 0.00 54.13 54.87 2a50 s LEU 174 Cb -0.13 -2.45 0.06 0.00 0.02 0.00 0.00 46.19 43.69 2a50 s LEU 174 CO -0.10 0.18 -0.07 -1.00 0.02 0.00 0.00 176.35 175.38 2a50 s HIS 175 N -0.07 2.55 0.04 0.29 3.76 -0.39 -2.31 115.29 119.15 2a50 s HIS 175 Ca 0.20 -1.82 0.07 0.00 -0.15 0.00 0.00 55.06 53.36 2a50 s HIS 175 Cb -0.14 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 2a50 s HIS 175 CO 0.07 -0.79 -0.20 0.99 -0.85 0.00 0.00 174.74 173.97 2a50 s THR 176 N 1.35 1.60 -0.08 1.30 2.01 0.06 -1.72 115.64 120.15 2a50 s THR 176 Ca -0.05 -1.15 0.04 0.00 0.31 0.00 0.00 61.69 60.83 2a50 s THR 176 Cb -0.19 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 70.94 2a50 s THR 176 CO -0.06 0.20 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.98 2a50 s THR 177 N -0.78 1.72 -0.15 -0.82 2.01 -0.27 -1.14 115.64 116.21 2a50 s THR 177 Ca 0.07 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 2a50 s THR 177 Cb -0.09 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 2a50 s THR 177 CO 0.02 0.49 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.12 2a50 s TYR 178 N 0.38 3.11 -0.29 4.92 2.02 0.48 -1.41 117.35 126.57 2a50 s TYR 178 Ca -0.15 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 2a50 s TYR 178 Cb -0.17 -1.97 0.09 0.00 -0.40 0.00 0.00 41.96 39.51 2a50 s TYR 178 CO 0.06 0.09 0.04 1.03 -1.57 0.00 0.00 175.55 175.21 2a50 s ARG 179 N 0.18 1.09 0.63 -0.62 0.52 0.03 -2.37 118.95 118.42 2a50 s ARG 179 Ca 0.00 -1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 53.88 2a50 s ARG 179 Cb -0.13 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 32.92 2a50 s ARG 179 CO 0.02 -0.84 1.27 0.45 0.02 0.00 0.00 175.30 176.21 2a50 s SER 180 N 1.44 4.80 0.00 0.23 0.15 -1.26 -0.98 113.70 118.07 2a50 s SER 180 Ca 0.05 2.55 0.26 0.00 0.70 0.00 0.00 55.95 59.51 2a50 s SER 180 Cb -0.18 -2.61 0.77 0.00 -1.71 0.00 0.00 66.02 62.29 2a50 s SER 180 CO -0.15 -1.87 1.58 0.29 1.20 0.00 0.00 173.24 174.29 2a50 n LYS 181 N -1.79 0.50 -2.81 5.44 5.02 -0.47 -4.81 118.16 119.23 2a50 n LYS 181 Ca 0.15 -0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 2a50 n LYS 181 Cb 0.49 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.95 2a50 n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a50 s LYS 182 N -2.69 4.00 0.61 1.97 1.02 -1.26 -4.98 119.74 118.42 2a50 s LYS 182 Ca 0.20 0.81 -0.17 0.00 0.02 0.00 0.00 55.97 56.84 2a50 s LYS 182 Cb 0.19 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 2a50 s LYS 182 CO 0.57 -0.04 1.12 -1.25 -0.92 0.00 0.00 175.35 174.84 2a50 s PRO 183 N -3.49 3.02 0.50 -1.68 0.04 -1.26 -4.91 135.00 127.22 2a50 s PRO 183 Ca 0.57 1.50 0.16 0.00 0.04 0.00 0.00 61.00 63.27 2a50 s PRO 183 Cb -0.10 -1.97 1.23 0.00 0.04 0.00 0.00 34.50 33.70 2a50 s PRO 183 CO 0.23 -1.10 2.10 0.00 0.04 0.00 0.00 177.00 178.27 2a50 h ALA 184 N 0.53 2.06 0.00 8.56 0.00 -1.94 -1.06 119.26 127.41 2a50 h ALA 184 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2a50 h ALA 184 Cb 1.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2a50 h ALA 184 CO 0.55 -0.09 -0.01 1.03 0.00 0.00 0.00 179.25 180.73 2a50 h SER 185 N 0.09 0.00 -0.03 0.00 0.87 -1.96 -2.11 113.55 110.41 2a50 h SER 185 Ca 0.08 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2a50 h SER 185 Cb 0.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2a50 h SER 185 CO -0.01 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2a50 n ALA 186 N -2.50 2.61 -2.45 6.23 0.00 -0.40 -4.90 120.51 119.10 2a50 n ALA 186 Ca -0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.75 2a50 n ALA 186 Cb 0.09 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.14 2a50 n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a50 s LEU 187 N -1.90 2.57 -0.47 0.00 1.43 -0.80 -5.01 118.68 114.50 2a50 s LEU 187 Ca 0.39 -0.47 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 2a50 s LEU 187 Cb 0.20 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.98 2a50 s LEU 187 CO 0.32 0.24 0.49 -0.54 0.23 0.00 0.00 176.35 177.10 2a50 s LYS 188 N -1.54 3.07 0.13 1.70 1.02 -1.26 -5.01 119.74 117.85 2a50 s LYS 188 Ca 0.15 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 2a50 s LYS 188 Cb -0.10 -4.06 -0.06 0.00 -0.52 0.00 0.00 37.83 33.08 2a50 s LYS 188 CO 0.06 -1.03 0.98 -1.64 -0.92 0.00 0.00 175.35 172.79 2a50 s MET 189 N 2.15 4.70 0.40 1.68 -1.94 -1.26 -4.68 119.30 120.36 2a50 s MET 189 Ca 0.11 1.49 -0.24 0.00 -1.71 0.00 0.00 55.69 55.33 2a50 s MET 189 Cb -0.20 -3.35 -0.09 0.00 2.01 0.00 0.00 34.83 33.20 2a50 s MET 189 CO 0.11 0.22 1.10 -1.25 -0.01 0.00 0.00 175.02 175.19 2a50 s PRO 190 N -0.16 4.10 1.04 2.03 0.04 -1.26 -4.87 135.00 135.92 2a50 s PRO 190 Ca 0.47 1.64 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 2a50 s PRO 190 Cb -0.24 -2.58 0.21 0.00 0.04 0.00 0.00 34.50 31.92 2a50 s PRO 190 CO 0.31 -0.23 1.13 0.20 0.04 0.00 0.00 177.00 178.45 2a50 s GLY 191 N -1.40 1.59 0.17 0.56 0.00 -1.26 -4.53 107.32 102.46 2a50 s GLY 191 Ca 0.58 -0.69 -0.33 0.00 0.00 0.00 0.00 44.72 44.27 2a50 s GLY 191 CO 0.32 0.02 1.41 0.33 0.00 0.00 0.00 173.10 175.18 2a50 n PHE 192 N -4.24 1.93 -3.84 1.90 7.35 -1.26 -4.79 117.46 114.51 2a50 n PHE 192 Ca 0.09 0.46 -0.10 0.00 -0.76 0.00 0.00 57.45 57.14 2a50 n PHE 192 Cb 0.59 -2.43 0.02 0.00 0.35 0.00 0.00 39.48 38.00 2a50 n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2a50 s HIS 193 N 0.35 0.29 -0.01 -5.13 -3.43 -0.79 -4.98 115.29 101.60 2a50 s HIS 193 Ca 0.76 -0.92 0.02 0.00 -0.80 0.00 0.00 55.06 54.12 2a50 s HIS 193 Cb -0.75 0.72 -0.03 0.00 -1.43 0.00 0.00 32.58 31.08 2a50 s HIS 193 CO 0.46 -1.55 -0.05 -0.06 -2.00 0.00 0.00 174.74 171.53 2a50 s PHE 194 N -2.25 2.93 -0.26 0.38 0.40 0.15 -1.30 117.98 118.03 2a50 s PHE 194 Ca 0.18 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 2a50 s PHE 194 Cb -0.04 -1.64 0.07 0.00 0.51 0.00 0.00 43.02 41.92 2a50 s PHE 194 CO 0.13 0.39 -0.03 -1.21 0.70 0.00 0.00 175.22 175.20 2a50 s GLU 195 N -1.34 1.62 0.08 0.44 2.02 0.29 -0.84 118.70 120.97 2a50 s GLU 195 Ca 0.17 -1.22 -0.27 0.00 0.02 0.00 0.00 54.97 53.66 2a50 s GLU 195 Cb -0.11 -2.69 -0.06 0.00 0.10 0.00 0.00 34.13 31.37 2a50 s GLU 195 CO 0.07 -0.69 0.86 -0.51 0.02 0.00 0.00 175.26 175.01 2a50 s ASP 196 N 1.28 7.35 -0.09 -0.19 1.01 0.05 -0.79 116.67 125.29 2a50 s ASP 196 Ca -0.02 1.62 -0.00 0.00 0.71 0.00 0.00 52.55 54.86 2a50 s ASP 196 Cb -0.19 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.24 2a50 s ASP 196 CO -0.08 -0.03 -0.07 -1.00 0.21 0.00 0.00 175.17 174.21 2a50 s HIS 197 N -0.03 1.29 -0.30 4.23 3.76 0.65 -1.38 115.29 123.51 2a50 s HIS 197 Ca 0.43 -0.57 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 2a50 s HIS 197 Cb -0.22 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.39 2a50 s HIS 197 CO 0.26 -0.43 0.08 0.50 -0.85 0.00 0.00 174.74 174.31 2a50 s ARG 198 N 1.55 3.07 -0.19 1.40 3.52 0.23 -0.73 118.95 127.80 2a50 s ARG 198 Ca 0.01 -0.87 -0.05 0.00 -0.13 0.00 0.00 55.73 54.69 2a50 s ARG 198 Cb -0.13 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2a50 s ARG 198 CO -0.06 -0.46 0.01 0.42 -0.81 0.00 0.00 175.30 174.41 2a50 s ILE 199 N 1.50 4.13 -0.06 4.11 1.01 -1.26 -1.50 121.20 129.13 2a50 s ILE 199 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.43 2a50 s ILE 199 Cb -0.17 -2.86 0.02 0.00 0.01 0.00 0.00 42.46 39.46 2a50 s ILE 199 CO 0.03 0.44 -0.07 -1.61 0.00 0.00 0.00 174.94 173.72 2a50 s GLU 200 N 0.79 1.21 -0.72 2.79 2.02 -0.13 -4.56 118.70 120.10 2a50 s GLU 200 Ca 0.01 -0.21 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 2a50 s GLU 200 Cb -0.14 -1.15 0.05 0.00 0.10 0.00 0.00 34.13 32.99 2a50 s GLU 200 CO 0.02 -0.09 1.13 0.42 0.02 0.00 0.00 175.26 176.76 2a50 s ILE 201 N 1.04 4.04 0.30 -1.63 1.01 -1.26 -0.29 121.20 124.41 2a50 s ILE 201 Ca -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2a50 s ILE 201 Cb -0.14 -4.81 0.12 0.00 0.01 0.00 0.00 42.46 37.64 2a50 s ILE 201 CO -0.00 -1.66 1.80 0.24 0.00 0.00 0.00 174.94 175.32 2a50 h MET 202 N 9.77 0.58 -1.98 2.79 2.86 -0.94 -3.45 114.93 124.57 2a50 h MET 202 Ca -0.26 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.19 2a50 h MET 202 Cb 1.06 -0.07 -0.20 0.00 0.06 0.00 0.00 31.60 32.45 2a50 h MET 202 CO 1.23 0.66 0.17 -1.83 1.06 0.00 0.00 176.91 178.21 2a50 s GLU 203 N -4.84 0.90 -0.66 1.72 -1.05 -1.12 -4.99 118.70 108.67 2a50 s GLU 203 Ca -0.08 0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 55.29 2a50 s GLU 203 Cb 0.15 0.43 0.17 0.00 -0.44 0.00 0.00 34.13 34.44 2a50 s GLU 203 CO 0.78 -0.19 0.59 -2.00 0.95 0.00 0.00 175.26 175.40 2a50 s GLU 204 N -0.25 3.15 0.03 -4.83 2.12 -1.26 -0.52 118.70 117.14 2a50 s GLU 204 Ca -0.04 -2.08 -0.22 0.00 0.36 0.00 0.00 54.97 52.99 2a50 s GLU 204 Cb -0.03 -4.27 -0.16 0.00 0.26 0.00 0.00 34.13 29.93 2a50 s GLU 204 CO 0.04 -1.29 1.36 0.28 -0.54 0.00 0.00 175.26 175.11 2a50 h VAL 205 N 5.42 1.34 -3.41 3.70 2.07 -1.11 -3.42 116.25 120.83 2a50 h VAL 205 Ca -0.10 -1.15 -0.40 0.00 0.82 0.00 0.00 66.70 65.87 2a50 h VAL 205 Cb 1.06 1.87 -0.35 0.00 -1.52 0.00 0.00 31.29 32.35 2a50 h VAL 205 CO 0.88 0.33 -0.77 -0.70 0.02 0.00 0.00 177.57 177.33 2a50 s GLU 206 N -4.45 0.67 -0.32 1.57 2.12 -1.01 -4.95 118.70 112.32 2a50 s GLU 206 Ca -0.15 -0.01 -0.41 0.00 0.36 0.00 0.00 54.97 54.76 2a50 s GLU 206 Cb 0.04 -0.81 -0.16 0.00 0.26 0.00 0.00 34.13 33.47 2a50 s GLU 206 CO 0.72 -0.15 1.78 1.17 -0.54 0.00 0.00 175.26 178.24 2a50 n LYS 207 N 4.37 0.98 -0.93 4.30 3.00 -1.26 -0.95 118.16 127.67 2a50 n LYS 207 Ca -0.20 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2a50 n LYS 207 Cb 0.50 -2.04 0.00 0.00 0.00 0.00 0.00 35.03 33.49 2a50 n LYS 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a50 n GLY 208 N 4.45 0.36 0.00 3.14 0.00 -1.26 -4.72 105.19 107.16 2a50 n GLY 208 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2a50 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a50 n LYS 209 N -1.43 0.94 -3.73 1.61 5.02 -0.13 -5.09 118.16 115.35 2a50 n LYS 209 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2a50 n LYS 209 Cb 0.16 -0.66 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 2a50 n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a50 s TYR 211 N 1.29 0.25 -0.17 0.00 1.51 -1.26 -0.42 117.35 118.56 2a50 s TYR 211 Ca -0.09 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2a50 s TYR 211 Cb -0.11 -0.21 -0.02 0.00 -0.11 0.00 0.00 41.96 41.51 2a50 s TYR 211 CO -0.08 -0.03 -0.05 0.21 -1.11 0.00 0.00 175.55 174.49 2a50 s LYS 212 N 0.18 3.55 -0.04 -0.62 2.20 0.32 -4.96 119.74 120.37 2a50 s LYS 212 Ca -0.01 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 2a50 s LYS 212 Cb -0.04 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 2a50 s LYS 212 CO -0.00 0.11 -0.13 -1.14 -0.36 0.00 0.00 175.35 173.83 2a50 s GLN 213 N 0.68 1.50 0.00 4.03 0.74 -1.26 -0.19 119.66 125.16 2a50 s GLN 213 Ca -0.03 -0.46 0.01 0.00 0.05 0.00 0.00 55.36 54.93 2a50 s GLN 213 Cb -0.15 -1.31 -0.04 0.00 1.10 0.00 0.00 33.01 32.62 2a50 s GLN 213 CO 0.02 0.14 0.03 -0.47 -0.55 0.00 0.00 175.29 174.47 2a50 s TYR 214 N 0.25 3.15 -0.01 1.67 5.04 0.60 -4.93 117.35 123.13 2a50 s TYR 214 Ca -0.06 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.69 2a50 s TYR 214 Cb -0.12 -1.69 0.01 0.00 0.35 0.00 0.00 41.96 40.51 2a50 s TYR 214 CO 0.02 0.49 0.00 -2.00 -1.34 0.00 0.00 175.55 172.73 2a50 s GLU 215 N -1.65 0.03 -0.08 4.97 2.12 -1.26 -0.95 118.70 121.87 2a50 s GLU 215 Ca 0.21 0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.61 2a50 s GLU 215 Cb -0.12 -0.09 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 2a50 s GLU 215 CO 0.12 -0.03 -0.19 0.00 -0.54 0.00 0.00 175.26 174.61 2a50 s ALA 216 N 0.25 2.40 0.01 6.30 0.00 -0.56 -4.98 121.76 125.19 2a50 s ALA 216 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2a50 s ALA 216 Cb -0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2a50 s ALA 216 CO -0.01 0.39 -0.04 0.00 0.00 0.00 0.00 175.76 176.10 2a50 s ALA 217 N -0.09 0.27 -0.03 0.00 0.00 -1.26 -0.60 121.76 120.05 2a50 s ALA 217 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.56 2a50 s ALA 217 Cb -0.14 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2a50 s ALA 217 CO 0.04 -0.01 0.01 0.08 0.00 0.00 0.00 175.76 175.88 2a50 s VAL 218 N -0.66 0.08 -0.21 0.00 1.01 -0.48 -1.75 120.40 118.38 2a50 s VAL 218 Ca -0.05 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 2a50 s VAL 218 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2a50 s VAL 218 CO -0.00 0.12 0.30 -0.83 0.00 0.00 0.00 175.10 174.69 2a50 s GLY 219 N 1.04 2.05 0.25 4.51 0.00 0.14 -0.77 107.32 114.54 2a50 s GLY 219 Ca -0.10 -0.66 -0.18 0.00 0.00 0.00 0.00 44.72 43.79 2a50 s GLY 219 CO -0.02 0.64 0.62 1.09 0.00 0.00 0.00 173.10 175.42 2a50 s ARG 220 N 1.17 1.63 0.65 2.90 1.70 -0.02 -0.96 118.95 126.02 2a50 s ARG 220 Ca 0.15 -1.01 0.03 0.00 -0.47 0.00 0.00 55.73 54.42 2a50 s ARG 220 Cb -0.14 0.56 0.10 0.00 -0.57 0.00 0.00 34.95 34.90 2a50 s ARG 220 CO 0.06 -0.72 0.89 0.71 -1.08 0.00 0.00 175.30 175.16 2a50 s TYR 221 N -3.93 1.66 -1.03 5.89 4.12 -1.26 -0.67 117.35 122.12 2a50 s TYR 221 Ca 0.13 -0.42 -0.23 0.00 0.02 0.00 0.00 57.07 56.57 2a50 s TYR 221 Cb -0.03 -2.68 0.03 0.00 -1.52 0.00 0.00 41.96 37.75 2a50 s TYR 221 CO 0.05 -1.41 1.60 0.00 0.02 0.00 0.00 175.55 175.81 2a50 h ASP 223 N 9.87 0.00 0.11 0.00 3.04 -1.99 -3.33 116.42 124.12 2a50 h ASP 223 Ca 0.21 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.84 2a50 h ASP 223 Cb 0.99 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.27 2a50 h ASP 223 CO 1.38 0.43 -0.54 0.00 -2.04 0.00 0.00 179.24 178.47 2a50 h ALA 224 N 1.57 0.77 -3.53 4.15 0.00 -2.06 -3.39 119.26 116.78 2a50 h ALA 224 Ca -0.00 -0.50 -0.64 0.00 0.00 0.00 0.00 54.91 53.77 2a50 h ALA 224 Cb 1.00 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.30 2a50 h ALA 224 CO 0.06 0.68 -0.73 0.00 0.00 0.00 0.00 179.25 179.26 2a50 s ALA 225 N -3.98 2.50 0.58 0.00 0.00 -1.25 -5.12 121.76 114.48 2a50 s ALA 225 Ca -0.06 -2.29 -0.12 0.00 0.00 0.00 0.00 51.96 49.49 2a50 s ALA 225 Cb 0.12 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2a50 s ALA 225 CO 0.82 -1.69 1.00 -1.25 0.00 0.00 0.00 175.76 174.65 2a50 s PRO 226 N 1.10 3.69 0.53 0.00 0.04 -1.26 -4.94 135.00 134.15 2a50 s PRO 226 Ca 0.11 0.76 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 2a50 s PRO 226 Cb -0.19 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.16 2a50 s PRO 226 CO -0.13 -0.46 1.01 0.45 0.04 0.00 0.00 177.00 177.91 2a50 s SER 227 N -3.88 6.39 0.00 6.66 0.15 -1.26 -4.98 113.70 116.78 2a50 s SER 227 Ca 0.55 1.69 0.19 0.00 0.70 0.00 0.00 55.95 59.08 2a50 s SER 227 Cb -0.11 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.01 2a50 s SER 227 CO 0.47 -0.75 1.27 0.29 1.20 0.00 0.00 173.24 175.72 2a50 n LYS 228 N -1.56 2.20 -0.01 5.44 5.02 -1.26 -4.47 118.16 123.52 2a50 n LYS 228 Ca 0.07 -2.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.34 2a50 n LYS 228 Cb 0.54 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 2a50 n LYS 228 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2a50 n LEU 229 N 1.15 1.45 0.00 -0.35 4.77 -1.26 -5.00 117.00 117.77 2a50 n LEU 229 Ca 0.15 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 2a50 n LEU 229 Cb 0.51 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2a50 n LEU 229 CO 0.13 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2a50 n GLY 230 N -0.40 0.64 3.80 -0.72 0.00 -1.26 -5.05 105.19 102.20 2a50 n GLY 230 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2a50 n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a50 s HIS 231 N -2.32 3.21 -1.79 1.61 3.76 -1.26 -5.06 115.29 113.44 2a50 s HIS 231 Ca 0.00 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.53 2a50 s HIS 231 Cb 0.00 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2a50 s HIS 231 CO 0.00 -0.52 0.45 0.09 -0.85 0.00 0.00 174.74 173.90