#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a54 n LYS 67 N 0.00 0.47 0.30 -1.46 4.76 -1.26 -2.75 118.16 118.22 2a54 n LYS 67 Ca 0.00 -0.01 0.19 0.00 -2.87 0.00 0.00 58.31 55.62 2a54 n LYS 67 Cb 0.00 -1.50 0.85 0.00 -1.84 0.00 0.00 35.03 32.54 2a54 n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2a54 h THR 68 N 0.02 0.01 -3.04 -0.18 2.02 -2.03 -3.36 112.91 106.35 2a54 h THR 68 Ca 0.00 -0.37 -0.77 0.00 0.77 0.00 0.00 66.41 66.04 2a54 h THR 68 Cb 0.27 1.36 -0.30 0.00 -1.74 0.00 0.00 68.15 67.74 2a54 h THR 68 CO 0.00 0.00 0.44 0.49 0.37 0.00 0.00 175.52 176.83 2a54 n PHE 69 N -3.10 3.40 -4.46 3.16 3.01 -1.11 -4.84 117.46 113.53 2a54 n PHE 69 Ca -0.01 -3.28 -0.22 0.00 1.01 0.00 0.00 57.45 54.96 2a54 n PHE 69 Cb 0.24 -1.28 -0.16 0.00 -0.01 0.00 0.00 39.48 38.27 2a54 n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2a54 s ILE 70 N -2.22 0.90 -0.46 4.37 1.01 -1.26 -4.45 121.20 119.09 2a54 s ILE 70 Ca 0.32 -0.41 -0.23 0.00 0.00 0.00 0.00 60.65 60.33 2a54 s ILE 70 Cb 0.01 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.70 2a54 s ILE 70 CO 0.02 0.28 0.80 -0.75 0.00 0.00 0.00 174.94 175.29 2a54 s LYS 71 N 0.30 3.40 -0.09 2.79 2.20 -0.41 -4.91 119.74 123.01 2a54 s LYS 71 Ca -0.06 -0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 55.24 2a54 s LYS 71 Cb -0.10 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 2a54 s LYS 71 CO 0.01 -1.16 0.50 0.71 -0.36 0.00 0.00 175.35 175.05 2a54 s TYR 72 N 3.35 3.56 0.51 4.03 2.02 -1.26 -0.77 117.35 128.79 2a54 s TYR 72 Ca 0.30 0.96 0.06 0.00 -0.37 0.00 0.00 57.07 58.02 2a54 s TYR 72 Cb -0.12 -2.55 0.02 0.00 -0.40 0.00 0.00 41.96 38.90 2a54 s TYR 72 CO 0.22 0.22 0.36 0.14 -1.57 0.00 0.00 175.55 174.92 2a54 s VAL 73 N 0.40 1.84 -1.82 0.71 -7.23 -0.48 -4.78 120.40 109.03 2a54 s VAL 73 Ca 0.27 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 2a54 s VAL 73 Cb -0.16 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.43 2a54 s VAL 73 CO 0.12 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.71 2a54 n SER 74 N -1.65 -5.23 -0.05 4.85 7.64 -1.26 -2.11 113.62 115.80 2a54 n SER 74 Ca -0.02 0.25 -0.01 0.00 1.01 0.00 0.00 58.87 60.11 2a54 n SER 74 Cb 0.64 -4.51 -0.00 0.00 -1.01 0.00 0.00 64.21 59.32 2a54 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a54 n GLY 75 N -0.65 0.43 3.68 0.23 0.00 -1.26 -4.98 105.19 102.64 2a54 n GLY 75 Ca -0.21 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 2a54 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a54 s ILE 76 N -1.80 2.94 0.63 -0.61 1.01 -0.90 -4.96 121.20 117.51 2a54 s ILE 76 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 2a54 s ILE 76 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 2a54 s ILE 76 CO 0.00 -0.01 1.21 -2.65 0.00 0.00 0.00 174.94 173.49 2a54 n PRO 77 N 6.12 1.08 -3.66 2.79 -0.02 -1.26 -4.82 135.00 135.22 2a54 n PRO 77 Ca 0.17 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 2a54 n PRO 77 Cb 0.40 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 2a54 n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2a54 s ASP 78 N -1.33 5.49 0.36 2.55 -1.08 -1.26 -4.56 116.67 116.83 2a54 s ASP 78 Ca 0.81 -2.44 0.05 0.00 -0.52 0.00 0.00 52.55 50.45 2a54 s ASP 78 Cb -0.39 -1.92 0.71 0.00 -1.46 0.00 0.00 42.92 39.87 2a54 s ASP 78 CO 0.42 -0.50 1.96 0.22 0.52 0.00 0.00 175.17 177.79 2a54 h TYR 79 N 7.66 0.79 0.00 -5.34 3.20 -1.93 -1.82 116.97 119.52 2a54 h TYR 79 Ca -0.07 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 2a54 h TYR 79 Cb 1.01 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2a54 h TYR 79 CO 0.69 0.43 -0.00 0.74 -1.64 0.00 0.00 178.16 178.37 2a54 h PHE 80 N 0.79 -0.01 -0.57 -3.82 -1.00 -1.92 -3.16 116.94 107.26 2a54 h PHE 80 Ca 0.31 -0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 2a54 h PHE 80 Cb 0.21 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 2a54 h PHE 80 CO -0.00 0.74 0.21 0.87 -1.61 0.00 0.00 178.31 178.52 2a54 h LYS 81 N -0.76 0.83 0.00 1.51 1.57 -1.87 -2.05 116.57 115.81 2a54 h LYS 81 Ca -0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2a54 h LYS 81 Cb 0.75 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2a54 h LYS 81 CO 0.00 0.69 0.00 1.96 -0.57 0.00 0.00 179.45 181.53 2a54 h GLN 82 N 0.82 0.00 -0.00 3.15 4.20 -1.39 -3.09 115.11 118.80 2a54 h GLN 82 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2a54 h GLN 82 Cb 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2a54 h GLN 82 CO -0.02 0.00 -0.14 0.43 -0.67 0.00 0.00 178.83 178.43 2a54 n SER 83 N -3.00 0.28 -4.84 1.46 7.64 -0.77 -4.88 113.62 109.51 2a54 n SER 83 Ca -0.03 -0.13 -0.32 0.00 1.01 0.00 0.00 58.87 59.41 2a54 n SER 83 Cb 0.09 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 2a54 n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a54 s PHE 84 N -2.76 3.41 -0.76 1.43 0.40 -1.17 -0.65 117.98 117.89 2a54 s PHE 84 Ca 0.20 1.42 0.26 0.00 -0.60 0.00 0.00 56.93 58.21 2a54 s PHE 84 Cb 0.19 -2.73 0.91 0.00 0.51 0.00 0.00 43.02 41.90 2a54 s PHE 84 CO 0.54 -0.23 1.78 -0.35 0.70 0.00 0.00 175.22 177.66 2a54 n PRO 85 N -1.20 0.19 -0.08 0.24 -0.04 -1.26 -4.87 135.00 127.99 2a54 n PRO 85 Ca 0.06 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 2a54 n PRO 85 Cb 0.54 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 2a54 n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a54 h GLU 86 N 0.00 0.39 0.00 0.54 3.07 -1.90 -3.37 114.58 113.30 2a54 h GLU 86 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2a54 h GLU 86 Cb 0.62 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2a54 h GLU 86 CO 0.00 0.27 0.00 0.41 -1.40 0.00 0.00 179.01 178.29 2a54 n GLY 87 N -1.13 -1.37 3.78 -3.84 0.00 0.18 -4.68 105.19 98.13 2a54 n GLY 87 Ca -0.02 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 2a54 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a54 s PHE 88 N 0.00 -0.17 0.29 1.61 -0.71 -0.83 -1.60 117.98 116.57 2a54 s PHE 88 Ca 0.00 -0.25 0.06 0.00 -1.04 0.00 0.00 56.93 55.70 2a54 s PHE 88 Cb 0.00 0.64 -0.06 0.00 -1.21 0.00 0.00 43.02 42.39 2a54 s PHE 88 CO 0.00 -1.16 -0.04 0.95 -1.34 0.00 0.00 175.22 173.63 2a54 s THR 89 N -3.91 1.59 0.04 -4.49 -4.23 0.15 -0.61 115.64 104.18 2a54 s THR 89 Ca 0.11 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.47 2a54 s THR 89 Cb -0.05 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 2a54 s THR 89 CO 0.05 -0.25 0.07 -1.66 -0.54 0.00 0.00 174.62 172.29 2a54 s TRP 90 N -3.04 0.25 0.00 3.99 1.48 -0.54 -0.71 118.94 120.37 2a54 s TRP 90 Ca 0.31 -0.58 0.01 0.00 -1.06 0.00 0.00 56.10 54.78 2a54 s TRP 90 Cb 0.05 -0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 32.17 2a54 s TRP 90 CO 0.13 -0.36 -0.04 -1.83 -4.06 0.00 0.00 176.95 170.78 2a54 s GLU 91 N -2.73 0.35 -0.14 3.25 -1.05 -0.38 -0.88 118.70 117.13 2a54 s GLU 91 Ca -0.04 -0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 54.39 2a54 s GLU 91 Cb -0.00 -0.29 0.04 0.00 -0.44 0.00 0.00 34.13 33.43 2a54 s GLU 91 CO -0.05 0.08 0.41 0.50 0.95 0.00 0.00 175.26 177.14 2a54 s ARG 92 N -0.35 0.52 -0.10 -4.83 3.52 -0.46 -0.99 118.95 116.26 2a54 s ARG 92 Ca -0.01 0.48 0.04 0.00 -0.13 0.00 0.00 55.73 56.11 2a54 s ARG 92 Cb -0.03 0.25 -0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2a54 s ARG 92 CO -0.00 -0.08 -0.24 0.99 -0.81 0.00 0.00 175.30 175.16 2a54 s THR 93 N 0.00 2.04 -0.20 4.11 2.01 -0.66 -0.91 115.64 122.04 2a54 s THR 93 Ca -0.02 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 60.92 2a54 s THR 93 Cb -0.03 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2a54 s THR 93 CO 0.01 0.56 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.60 2a54 s THR 94 N 0.33 3.83 -0.28 -0.82 2.01 -0.00 -1.11 115.64 119.60 2a54 s THR 94 Ca -0.18 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.39 2a54 s THR 94 Cb -0.18 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.60 2a54 s THR 94 CO 0.09 0.44 0.07 0.42 -0.69 0.00 0.00 174.62 174.94 2a54 s THR 95 N 0.99 3.99 0.26 -0.82 -4.23 -0.12 -1.05 115.64 114.67 2a54 s THR 95 Ca 0.01 -0.54 -0.18 0.00 -1.18 0.00 0.00 61.69 59.80 2a54 s THR 95 Cb -0.14 -2.99 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 2a54 s THR 95 CO 0.01 0.18 0.73 -0.31 -0.54 0.00 0.00 174.62 174.69 2a54 s TYR 96 N 1.53 3.53 0.17 3.99 1.51 0.14 -1.58 117.35 126.64 2a54 s TYR 96 Ca 0.04 1.32 0.34 0.00 -1.01 0.00 0.00 57.07 57.76 2a54 s TYR 96 Cb -0.16 -2.58 1.66 0.00 -0.11 0.00 0.00 41.96 40.76 2a54 s TYR 96 CO 0.02 0.24 2.03 1.05 -1.11 0.00 0.00 175.55 177.78 2a54 h GLU 97 N 2.94 0.00 -0.67 -0.62 4.11 -1.45 -1.57 114.58 117.31 2a54 h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2a54 h GLU 97 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2a54 h GLU 97 CO 0.65 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.33 2a54 n ASP 98 N -2.82 4.05 0.00 3.06 5.75 -1.26 -4.96 116.55 120.37 2a54 n ASP 98 Ca -0.01 -2.12 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 2a54 n ASP 98 Cb 0.17 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 2a54 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a54 n GLY 99 N 1.38 1.53 3.77 6.12 0.00 -0.59 -4.53 105.19 112.88 2a54 n GLY 99 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2a54 n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a54 s GLY 100 N -2.14 2.41 0.00 -0.02 0.00 -1.19 -4.59 107.32 101.80 2a54 s GLY 100 Ca 0.00 0.71 0.05 0.00 0.00 0.00 0.00 44.72 45.48 2a54 s GLY 100 CO 0.00 1.06 -0.17 -1.36 0.00 0.00 0.00 173.10 172.64 2a54 s PHE 101 N -2.03 1.47 -0.16 1.90 0.40 0.08 -0.69 117.98 118.96 2a54 s PHE 101 Ca 0.70 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.72 2a54 s PHE 101 Cb -0.23 -0.92 0.05 0.00 0.51 0.00 0.00 43.02 42.43 2a54 s PHE 101 CO 0.34 0.00 -0.01 -1.17 0.70 0.00 0.00 175.22 175.08 2a54 s LEU 102 N -0.60 1.35 -0.07 -0.37 1.98 -0.21 -1.02 118.68 119.73 2a54 s LEU 102 Ca 0.06 -0.64 0.01 0.00 -2.89 0.00 0.00 54.13 50.66 2a54 s LEU 102 Cb -0.07 -0.74 -0.03 0.00 0.66 0.00 0.00 46.19 46.01 2a54 s LEU 102 CO -0.00 -0.23 -0.07 -0.89 -1.89 0.00 0.00 176.35 173.27 2a54 s THR 103 N 1.75 3.67 0.03 3.68 2.01 0.31 -0.82 115.64 126.27 2a54 s THR 103 Ca 0.01 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2a54 s THR 103 Cb -0.16 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 2a54 s THR 103 CO -0.07 0.60 0.05 0.00 -0.69 0.00 0.00 174.62 174.51 2a54 s ALA 104 N -0.78 0.03 -0.02 7.40 0.00 -0.09 -0.62 121.76 127.68 2a54 s ALA 104 Ca 0.12 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.51 2a54 s ALA 104 Cb -0.11 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 2a54 s ALA 104 CO 0.01 -0.28 -0.12 -1.58 0.00 0.00 0.00 175.76 173.80 2a54 s HIS 105 N -2.40 1.11 -0.00 0.00 5.65 -0.21 -1.36 115.29 118.08 2a54 s HIS 105 Ca -0.07 -0.24 0.01 0.00 0.25 0.00 0.00 55.06 55.01 2a54 s HIS 105 Cb -0.03 -0.74 -0.00 0.00 -1.18 0.00 0.00 32.58 30.63 2a54 s HIS 105 CO -0.04 -0.06 -0.04 -1.14 -0.65 0.00 0.00 174.74 172.82 2a54 s GLN 106 N -0.10 0.31 -0.10 2.88 -0.44 -0.05 -1.09 119.66 121.07 2a54 s GLN 106 Ca 0.01 -0.13 0.00 0.00 -2.50 0.00 0.00 55.36 52.75 2a54 s GLN 106 Cb -0.07 -0.31 -0.02 0.00 -1.64 0.00 0.00 33.01 30.97 2a54 s GLN 106 CO 0.00 0.07 -0.09 0.34 0.50 0.00 0.00 175.29 176.11 2a54 s ASP 107 N -0.04 4.38 -0.16 6.67 -1.08 -0.48 -1.47 116.67 124.47 2a54 s ASP 107 Ca 0.01 -0.16 0.01 0.00 -0.52 0.00 0.00 52.55 51.89 2a54 s ASP 107 Cb -0.02 -1.35 0.01 0.00 -1.46 0.00 0.00 42.92 40.11 2a54 s ASP 107 CO -0.00 0.27 -0.20 -0.89 0.52 0.00 0.00 175.17 174.87 2a54 s THR 108 N -0.24 2.18 0.30 1.71 2.01 0.22 -1.65 115.64 120.17 2a54 s THR 108 Ca 0.02 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2a54 s THR 108 Cb -0.13 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 2a54 s THR 108 CO 0.03 0.54 0.10 -0.94 -0.69 0.00 0.00 174.62 173.65 2a54 s SER 109 N 1.08 1.79 -0.20 3.53 1.04 -0.59 -1.96 113.70 118.39 2a54 s SER 109 Ca -0.00 -1.44 0.01 0.00 0.48 0.00 0.00 55.95 55.00 2a54 s SER 109 Cb -0.14 0.15 0.04 0.00 0.10 0.00 0.00 66.02 66.17 2a54 s SER 109 CO -0.07 -0.74 -0.13 -0.22 0.98 0.00 0.00 173.24 173.06 2a54 s LEU 110 N -3.41 2.44 -0.54 2.42 2.96 -1.26 -0.83 118.68 120.46 2a54 s LEU 110 Ca 0.36 -0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2a54 s LEU 110 Cb 0.07 -1.35 0.14 0.00 0.50 0.00 0.00 46.19 45.56 2a54 s LEU 110 CO 0.15 -0.12 0.42 -0.62 -1.32 0.00 0.00 176.35 174.86 2a54 s ASP 111 N 1.32 5.80 1.57 3.68 3.68 0.05 -4.95 116.67 127.81 2a54 s ASP 111 Ca -0.01 -2.15 0.00 0.00 2.13 0.00 0.00 52.55 52.52 2a54 s ASP 111 Cb -0.16 -2.02 0.00 0.00 -1.45 0.00 0.00 42.92 39.29 2a54 s ASP 111 CO -0.09 -0.64 0.00 0.61 0.13 0.00 0.00 175.17 175.18 2a54 n GLY 112 N 4.59 1.14 0.57 2.66 0.00 -1.26 -1.84 105.19 111.06 2a54 n GLY 112 Ca -0.03 0.37 0.08 0.00 0.00 0.00 0.00 46.02 46.44 2a54 n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a54 n ASP 113 N 10.62 2.16 -4.35 1.61 5.75 -1.26 -4.96 116.55 126.11 2a54 n ASP 113 Ca 0.00 -1.58 -0.33 0.00 -0.01 0.00 0.00 54.79 52.87 2a54 n ASP 113 Cb 0.00 0.13 -0.15 0.00 -1.03 0.00 0.00 41.12 40.08 2a54 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a54 s LEU 115 N 0.36 4.50 -0.11 0.00 1.43 -1.26 -0.77 118.68 122.82 2a54 s LEU 115 Ca -0.12 2.33 0.01 0.00 -1.03 0.00 0.00 54.13 55.32 2a54 s LEU 115 Cb -0.16 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.46 2a54 s LEU 115 CO 0.06 -0.29 -0.11 -0.69 0.23 0.00 0.00 176.35 175.55 2a54 s VAL 116 N -0.78 1.22 -0.09 -1.59 1.01 -0.01 -4.91 120.40 115.26 2a54 s VAL 116 Ca 0.48 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2a54 s VAL 116 Cb -0.34 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2a54 s VAL 116 CO 0.42 0.39 -0.04 -0.31 0.00 0.00 0.00 175.10 175.56 2a54 s TYR 117 N 1.33 3.03 -0.14 5.22 2.02 -1.26 -1.54 117.35 126.02 2a54 s TYR 117 Ca -0.01 0.03 0.00 0.00 -0.37 0.00 0.00 57.07 56.72 2a54 s TYR 117 Cb -0.14 -1.78 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 2a54 s TYR 117 CO -0.05 0.32 -0.12 0.15 -1.57 0.00 0.00 175.55 174.28 2a54 s LYS 118 N -0.64 2.01 -0.05 -0.62 1.02 -0.66 -4.98 119.74 115.82 2a54 s LYS 118 Ca 0.10 -0.44 0.05 0.00 0.02 0.00 0.00 55.97 55.70 2a54 s LYS 118 Cb -0.12 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.28 2a54 s LYS 118 CO 0.02 -0.25 -0.21 0.08 -0.92 0.00 0.00 175.35 174.08 2a54 s VAL 119 N 1.57 1.70 -0.07 3.17 1.01 -1.26 -1.39 120.40 125.13 2a54 s VAL 119 Ca 0.05 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.21 2a54 s VAL 119 Cb -0.13 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2a54 s VAL 119 CO -0.10 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 174.71 2a54 s LYS 120 N -0.05 2.75 -0.02 2.72 1.02 -0.25 -4.99 119.74 120.91 2a54 s LYS 120 Ca -0.04 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.11 2a54 s LYS 120 Cb -0.12 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 2a54 s LYS 120 CO 0.03 0.33 -0.11 0.42 -0.92 0.00 0.00 175.35 175.10 2a54 s ILE 121 N -0.02 0.88 -0.11 2.17 1.01 -1.26 -1.04 121.20 122.82 2a54 s ILE 121 Ca -0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2a54 s ILE 121 Cb -0.15 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.60 2a54 s ILE 121 CO 0.05 0.26 0.01 -0.76 0.00 0.00 0.00 174.94 174.51 2a54 s LEU 122 N 0.01 0.77 0.09 2.97 1.43 0.21 -5.01 118.68 119.16 2a54 s LEU 122 Ca -0.00 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2a54 s LEU 122 Cb -0.07 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 2a54 s LEU 122 CO 0.00 -0.23 -0.27 -0.83 0.23 0.00 0.00 176.35 175.26 2a54 s GLY 123 N 1.94 1.49 0.20 -3.19 0.00 -1.26 -0.53 107.32 105.96 2a54 s GLY 123 Ca 0.03 -1.37 -0.20 0.00 0.00 0.00 0.00 44.72 43.18 2a54 s GLY 123 CO -0.06 -1.30 0.58 0.54 0.00 0.00 0.00 173.10 172.86 2a54 s ASN 124 N -1.65 -0.35 -1.13 1.64 2.20 -0.19 -4.96 114.94 110.49 2a54 s ASN 124 Ca 0.13 -0.36 0.00 0.00 -0.94 0.00 0.00 52.86 51.69 2a54 s ASN 124 Cb -0.10 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 2a54 s ASN 124 CO 0.04 -1.08 0.00 0.59 -2.94 0.00 0.00 177.10 173.71 2a54 n ASN 125 N -0.37 -5.05 -4.72 3.54 3.02 -1.26 -0.74 115.26 109.67 2a54 n ASN 125 Ca -0.11 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 2a54 n ASN 125 Cb 0.63 -3.49 -0.03 0.00 -0.61 0.00 0.00 39.78 36.28 2a54 n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a54 s PHE 126 N -2.14 3.33 0.32 3.10 0.08 -1.26 -3.15 117.98 118.26 2a54 s PHE 126 Ca 0.00 1.18 -0.29 0.00 0.12 0.00 0.00 56.93 57.95 2a54 s PHE 126 Cb 0.00 -3.55 -0.10 0.00 -0.57 0.00 0.00 43.02 38.79 2a54 s PHE 126 CO 0.00 -1.78 1.39 -2.14 -0.10 0.00 0.00 175.22 172.59 2a54 s PRO 127 N 0.59 4.27 0.45 0.24 0.02 -1.26 -4.88 135.00 134.43 2a54 s PRO 127 Ca 0.59 2.33 0.11 0.00 0.02 0.00 0.00 61.00 64.05 2a54 s PRO 127 Cb -0.34 -3.05 1.03 0.00 0.02 0.00 0.00 34.50 32.15 2a54 s PRO 127 CO 0.33 -0.34 2.09 0.00 -0.33 0.00 0.00 177.00 178.75 2a54 h ALA 128 N 3.73 1.84 -0.19 -1.55 0.00 -1.97 -2.09 119.26 119.03 2a54 h ALA 128 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a54 h ALA 128 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2a54 h ALA 128 CO 0.68 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.67 2a54 n ASP 129 N -4.50 2.41 -4.92 0.00 3.85 -1.26 -4.23 116.55 107.90 2a54 n ASP 129 Ca 0.01 -1.82 -0.26 0.00 -0.71 0.00 0.00 54.79 52.02 2a54 n ASP 129 Cb 0.09 -0.12 0.05 0.00 -1.35 0.00 0.00 41.12 39.79 2a54 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2a54 s GLY 130 N -1.67 1.65 0.45 6.12 0.00 -0.78 -4.87 107.32 108.22 2a54 s GLY 130 Ca 0.34 -0.81 0.14 0.00 0.00 0.00 0.00 44.72 44.40 2a54 s GLY 130 CO 0.29 -0.47 2.02 -2.55 0.00 0.00 0.00 173.10 172.40 2a54 h PRO 131 N -0.38 0.32 0.27 2.90 0.11 -1.87 -1.45 132.00 131.90 2a54 h PRO 131 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2a54 h PRO 131 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2a54 h PRO 131 CO 0.60 0.21 -0.13 0.28 -0.21 0.00 0.00 178.00 178.76 2a54 h VAL 132 N 0.33 0.64 0.00 3.15 2.07 -1.88 -0.13 116.25 120.42 2a54 h VAL 132 Ca 0.21 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2a54 h VAL 132 Cb 0.40 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2a54 h VAL 132 CO -0.05 0.14 -0.12 0.24 0.02 0.00 0.00 177.57 177.81 2a54 h MET 133 N -0.89 0.00 0.00 1.57 2.86 -1.74 -1.89 114.93 114.85 2a54 h MET 133 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2a54 h MET 133 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2a54 h MET 133 CO 0.06 0.12 0.00 1.04 1.06 0.00 0.00 176.91 179.19 2a54 n GLN 134 N -3.22 0.15 -3.53 1.72 1.13 -0.55 -4.95 117.38 108.13 2a54 n GLN 134 Ca 0.01 0.12 -0.20 0.00 -1.94 0.00 0.00 57.00 55.00 2a54 n GLN 134 Cb 0.41 -1.68 0.08 0.00 0.11 0.00 0.00 30.24 29.16 2a54 n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2a54 n ASN 135 N -1.94 -2.90 -2.70 1.08 4.05 -0.64 -4.92 115.26 107.29 2a54 n ASN 135 Ca 0.06 -0.64 -0.17 0.00 0.45 0.00 0.00 54.58 54.28 2a54 n ASN 135 Cb 0.39 -4.89 0.01 0.00 1.23 0.00 0.00 39.78 36.52 2a54 n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2a54 n LYS 136 N -4.35 1.96 -3.75 1.20 4.76 -0.16 -5.05 118.16 112.76 2a54 n LYS 136 Ca -0.22 -3.77 -0.23 0.00 -2.87 0.00 0.00 58.31 51.22 2a54 n LYS 136 Cb 0.64 -1.68 -0.02 0.00 -1.84 0.00 0.00 35.03 32.13 2a54 n LYS 136 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a54 s ALA 137 N -3.18 3.85 0.00 7.82 0.00 -1.24 -4.39 121.76 124.62 2a54 s ALA 137 Ca 0.37 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2a54 s ALA 137 Cb 0.41 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2a54 s ALA 137 CO -0.06 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2a54 n GLY 138 N -1.29 -0.26 3.39 0.00 0.00 0.75 -4.90 105.19 102.88 2a54 n GLY 138 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2a54 n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a54 s ARG 139 N 0.00 1.22 -0.01 1.61 1.70 -1.02 -4.97 118.95 117.49 2a54 s ARG 139 Ca 0.00 -0.54 -0.28 0.00 -0.47 0.00 0.00 55.73 54.44 2a54 s ARG 139 Cb 0.00 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 2a54 s ARG 139 CO 0.00 -0.52 0.88 -1.58 -1.08 0.00 0.00 175.30 173.00 2a54 s TRP 140 N -3.77 3.65 0.82 5.89 0.52 -1.26 -0.33 118.94 124.47 2a54 s TRP 140 Ca 0.02 1.56 -0.11 0.00 0.02 0.00 0.00 56.10 57.59 2a54 s TRP 140 Cb -0.00 -3.00 0.09 0.00 -1.15 0.00 0.00 33.47 29.41 2a54 s TRP 140 CO -0.13 0.05 1.11 -1.21 0.02 0.00 0.00 176.95 176.80 2a54 s GLU 141 N 0.80 1.81 0.82 4.98 0.41 -0.50 -4.83 118.70 122.19 2a54 s GLU 141 Ca 0.46 1.33 -0.12 0.00 -0.41 0.00 0.00 54.97 56.23 2a54 s GLU 141 Cb -0.20 -1.83 0.09 0.00 -1.78 0.00 0.00 34.13 30.40 2a54 s GLU 141 CO 0.25 -2.01 1.15 -1.25 -0.49 0.00 0.00 175.26 172.91 2a54 s PRO 142 N -4.77 1.69 0.12 0.39 0.04 -1.26 -4.71 135.00 126.51 2a54 s PRO 142 Ca 0.64 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2a54 s PRO 142 Cb -0.20 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2a54 s PRO 142 CO 0.56 -2.12 -0.00 -1.54 0.04 0.00 0.00 177.00 173.94 2a54 s SER 143 N -2.63 0.79 -0.10 6.66 1.04 -0.49 -4.85 113.70 114.11 2a54 s SER 143 Ca 0.68 -1.12 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 2a54 s SER 143 Cb -0.23 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2a54 s SER 143 CO 0.53 -0.60 -0.07 -0.89 0.98 0.00 0.00 173.24 173.18 2a54 s THR 144 N -3.82 0.98 -0.08 2.02 2.01 -1.26 -0.46 115.64 115.03 2a54 s THR 144 Ca 0.19 -0.27 -0.11 0.00 0.31 0.00 0.00 61.69 61.80 2a54 s THR 144 Cb 0.07 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 2a54 s THR 144 CO -0.01 0.35 0.26 -0.70 -0.69 0.00 0.00 174.62 173.84 2a54 s GLU 145 N 1.59 3.73 -0.06 4.92 2.12 -0.11 -4.33 118.70 126.55 2a54 s GLU 145 Ca 0.02 0.11 -0.15 0.00 0.36 0.00 0.00 54.97 55.31 2a54 s GLU 145 Cb -0.13 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2a54 s GLU 145 CO -0.06 0.68 0.39 0.96 -0.54 0.00 0.00 175.26 176.68 2a54 s ILE 146 N -0.87 5.14 -0.05 -3.70 -4.36 0.12 -0.42 121.20 117.06 2a54 s ILE 146 Ca 0.18 0.78 0.02 0.00 -0.26 0.00 0.00 60.65 61.37 2a54 s ILE 146 Cb -0.14 -3.70 0.02 0.00 1.25 0.00 0.00 42.46 39.88 2a54 s ILE 146 CO 0.08 0.49 -0.07 -0.69 0.24 0.00 0.00 174.94 174.98 2a54 s VAL 147 N -0.42 0.74 0.13 8.37 1.01 -0.30 -1.38 120.40 128.56 2a54 s VAL 147 Ca 0.22 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 2a54 s VAL 147 Cb -0.15 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.57 2a54 s VAL 147 CO 0.10 0.27 0.59 -0.72 0.00 0.00 0.00 175.10 175.34 2a54 s TYR 148 N 0.80 -0.52 0.08 5.22 1.13 -0.54 -1.82 117.35 121.71 2a54 s TYR 148 Ca -0.13 0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 55.60 2a54 s TYR 148 Cb -0.15 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 2a54 s TYR 148 CO 0.02 -0.81 1.01 -2.00 -2.51 0.00 0.00 175.55 171.26 2a54 s GLU 149 N -3.49 4.61 -0.04 -3.49 2.12 -1.26 -0.36 118.70 116.79 2a54 s GLU 149 Ca -0.00 1.51 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 2a54 s GLU 149 Cb -0.01 -3.38 0.02 0.00 0.26 0.00 0.00 34.13 31.02 2a54 s GLU 149 CO -0.11 0.07 0.11 0.08 -0.54 0.00 0.00 175.26 174.87 2a54 s VAL 150 N 0.37 -0.01 -1.43 3.70 1.01 -0.41 -4.87 120.40 118.76 2a54 s VAL 150 Ca 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 2a54 s VAL 150 Cb -0.24 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 35.98 2a54 s VAL 150 CO 0.30 0.02 0.21 0.47 0.00 0.00 0.00 175.10 176.09 2a54 n ASP 151 N 3.26 -5.03 0.00 3.32 8.00 -1.26 -1.20 116.55 123.63 2a54 n ASP 151 Ca -0.15 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.28 2a54 n ASP 151 Cb 0.58 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.51 2a54 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a54 n GLY 152 N -1.09 0.30 0.00 0.44 0.00 -1.26 -4.98 105.19 98.60 2a54 n GLY 152 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2a54 n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a54 n VAL 153 N -2.51 0.00 -4.54 1.61 0.24 -0.34 -4.82 118.33 107.97 2a54 n VAL 153 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.96 2a54 n VAL 153 Cb 0.20 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.45 2a54 n VAL 153 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a54 s LEU 154 N 0.00 3.15 -0.07 1.34 1.02 -0.92 -1.28 118.68 121.92 2a54 s LEU 154 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.02 2a54 s LEU 154 Cb 0.00 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 2a54 s LEU 154 CO 0.00 0.25 0.07 -0.60 0.02 0.00 0.00 176.35 176.09 2a54 s ARG 155 N -0.15 3.14 0.06 1.70 6.06 0.52 -0.34 118.95 129.94 2a54 s ARG 155 Ca 0.02 -0.36 0.06 0.00 -2.50 0.00 0.00 55.73 52.95 2a54 s ARG 155 Cb -0.13 -2.92 -0.03 0.00 0.06 0.00 0.00 34.95 31.93 2a54 s ARG 155 CO 0.03 0.71 -0.17 0.20 -2.50 0.00 0.00 175.30 173.57 2a54 s GLY 156 N -1.21 0.96 0.02 8.12 0.00 -0.30 -1.46 107.32 113.44 2a54 s GLY 156 Ca 0.17 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.90 2a54 s GLY 156 CO 0.07 -0.99 -0.04 1.20 0.00 0.00 0.00 173.10 173.34 2a54 s GLN 157 N -1.47 0.33 0.07 2.90 -0.21 -0.48 -0.84 119.66 119.96 2a54 s GLN 157 Ca 0.03 -0.44 -0.13 0.00 0.02 0.00 0.00 55.36 54.83 2a54 s GLN 157 Cb -0.09 -0.13 0.02 0.00 1.00 0.00 0.00 33.01 33.81 2a54 s GLN 157 CO 0.02 0.02 0.31 -1.54 -2.12 0.00 0.00 175.29 171.98 2a54 s SER 158 N -0.92 -0.11 -0.20 5.90 1.04 -0.94 -0.70 113.70 117.78 2a54 s SER 158 Ca -0.07 -0.31 -0.07 0.00 0.48 0.00 0.00 55.95 55.97 2a54 s SER 158 Cb -0.06 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2a54 s SER 158 CO -0.00 -0.70 0.07 -0.76 0.98 0.00 0.00 173.24 172.83 2a54 s LEU 159 N -2.40 3.75 0.18 2.42 1.43 -1.26 -0.58 118.68 122.22 2a54 s LEU 159 Ca -0.01 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.21 2a54 s LEU 159 Cb 0.01 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2a54 s LEU 159 CO -0.07 0.13 -0.13 -0.04 0.23 0.00 0.00 176.35 176.47 2a54 s MET 160 N 0.61 1.92 -0.11 1.70 -1.94 -0.40 -4.45 119.30 116.63 2a54 s MET 160 Ca 0.03 -1.32 -0.02 0.00 -1.71 0.00 0.00 55.69 52.67 2a54 s MET 160 Cb -0.13 -2.08 0.04 0.00 2.01 0.00 0.00 34.83 34.67 2a54 s MET 160 CO 0.01 0.43 0.02 0.00 -0.01 0.00 0.00 175.02 175.47 2a54 s ALA 161 N -1.67 0.76 -0.40 3.03 0.00 -1.26 -0.84 121.76 121.38 2a54 s ALA 161 Ca 0.24 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.71 2a54 s ALA 161 Cb -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.16 2a54 s ALA 161 CO 0.14 -0.71 0.58 -1.17 0.00 0.00 0.00 175.76 174.59 2a54 s LEU 162 N 1.96 4.46 0.25 0.00 2.96 0.30 -1.41 118.68 127.21 2a54 s LEU 162 Ca 0.03 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 2a54 s LEU 162 Cb -0.14 -2.65 -0.10 0.00 0.50 0.00 0.00 46.19 43.80 2a54 s LEU 162 CO -0.06 -0.64 1.35 -0.54 -1.32 0.00 0.00 176.35 175.14 2a54 s LYS 163 N 2.60 4.35 0.05 1.98 1.02 0.56 -0.72 119.74 129.57 2a54 s LYS 163 Ca 0.20 2.18 0.01 0.00 0.02 0.00 0.00 55.97 58.38 2a54 s LYS 163 Cb -0.15 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2a54 s LYS 163 CO 0.16 -0.28 -0.05 0.00 -0.92 0.00 0.00 175.35 174.26 2a54 n PRO 165 N 0.89 0.23 -0.70 0.00 -0.02 -1.26 -2.06 135.00 132.07 2a54 n PRO 165 Ca -0.19 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2a54 n PRO 165 Cb 0.58 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2a54 n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a54 n GLY 166 N 2.08 0.59 2.19 -1.23 0.00 -1.26 -3.80 105.19 103.77 2a54 n GLY 166 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2a54 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a54 n GLY 167 N -2.70 0.83 3.84 -0.02 0.00 -1.19 -5.01 105.19 100.93 2a54 n GLY 167 Ca 0.00 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2a54 n GLY 167 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a54 s ARG 168 N -2.74 4.07 -0.16 1.61 3.52 -0.87 -4.96 118.95 119.41 2a54 s ARG 168 Ca 0.00 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.23 2a54 s ARG 168 Cb 0.00 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.54 2a54 s ARG 168 CO 0.00 0.41 -0.16 -1.01 -0.81 0.00 0.00 175.30 173.73 2a54 s HIS 169 N -1.55 2.78 -0.41 5.12 3.76 -1.26 -0.99 115.29 122.74 2a54 s HIS 169 Ca 0.42 -1.16 -0.15 0.00 -0.15 0.00 0.00 55.06 54.01 2a54 s HIS 169 Cb -0.15 -1.90 0.02 0.00 1.11 0.00 0.00 32.58 31.66 2a54 s HIS 169 CO 0.20 -0.55 0.32 -1.17 -0.85 0.00 0.00 174.74 172.68 2a54 s LEU 170 N 0.95 5.08 0.29 0.89 2.96 0.10 -4.89 118.68 124.07 2a54 s LEU 170 Ca -0.03 -0.88 0.03 0.00 -0.22 0.00 0.00 54.13 53.04 2a54 s LEU 170 Cb -0.15 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2a54 s LEU 170 CO -0.03 -0.47 0.45 0.42 -1.32 0.00 0.00 176.35 175.40 2a54 s THR 171 N 1.74 5.16 0.15 3.68 -4.23 -1.26 -0.53 115.64 120.34 2a54 s THR 171 Ca 0.06 -0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 2a54 s THR 171 Cb -0.19 -3.85 -0.00 0.00 1.34 0.00 0.00 72.50 69.80 2a54 s THR 171 CO 0.10 -0.43 0.29 0.00 -0.54 0.00 0.00 174.62 174.05 2a54 s HIS 173 N -3.93 1.85 -0.10 0.00 5.04 -0.61 -1.27 115.29 116.27 2a54 s HIS 173 Ca 0.13 -1.04 -0.15 0.00 -1.54 0.00 0.00 55.06 52.47 2a54 s HIS 173 Cb 0.03 -1.42 -0.05 0.00 0.04 0.00 0.00 32.58 31.19 2a54 s HIS 173 CO -0.03 -0.61 0.37 -0.51 -2.34 0.00 0.00 174.74 171.62 2a54 s LEU 174 N 1.59 4.33 -0.23 8.88 1.02 0.25 -0.94 118.68 133.59 2a54 s LEU 174 Ca 0.04 0.73 0.01 0.00 0.02 0.00 0.00 54.13 54.93 2a54 s LEU 174 Cb -0.13 -2.51 0.05 0.00 0.02 0.00 0.00 46.19 43.62 2a54 s LEU 174 CO -0.09 0.16 -0.08 -1.00 0.02 0.00 0.00 176.35 175.36 2a54 s HIS 175 N -0.06 2.56 0.05 0.29 3.76 -0.27 -2.20 115.29 119.43 2a54 s HIS 175 Ca 0.21 -1.82 0.08 0.00 -0.15 0.00 0.00 55.06 53.38 2a54 s HIS 175 Cb -0.15 -1.66 -0.03 0.00 1.11 0.00 0.00 32.58 31.86 2a54 s HIS 175 CO 0.09 -0.79 -0.21 0.99 -0.85 0.00 0.00 174.74 173.97 2a54 s THR 176 N 1.34 1.73 -0.10 1.30 2.01 -0.02 -1.65 115.64 120.24 2a54 s THR 176 Ca -0.05 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.71 2a54 s THR 176 Cb -0.18 -1.51 0.00 0.00 0.01 0.00 0.00 72.50 70.82 2a54 s THR 176 CO -0.07 0.18 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.94 2a54 s THR 177 N -0.85 1.90 -0.16 -0.82 2.01 -0.16 -1.15 115.64 116.39 2a54 s THR 177 Ca 0.08 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.12 2a54 s THR 177 Cb -0.09 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 2a54 s THR 177 CO 0.02 0.52 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.15 2a54 s TYR 178 N 0.52 3.08 -0.26 4.92 2.02 0.54 -1.25 117.35 126.91 2a54 s TYR 178 Ca -0.15 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.33 2a54 s TYR 178 Cb -0.17 -2.00 0.07 0.00 -0.40 0.00 0.00 41.96 39.47 2a54 s TYR 178 CO 0.06 -0.01 -0.02 1.03 -1.57 0.00 0.00 175.55 175.04 2a54 s ARG 179 N 0.41 1.48 0.59 -0.62 0.52 0.11 -2.16 118.95 119.28 2a54 s ARG 179 Ca -0.02 -1.16 -0.20 0.00 -0.52 0.00 0.00 55.73 53.83 2a54 s ARG 179 Cb -0.14 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 2a54 s ARG 179 CO 0.02 -0.71 1.32 0.45 0.02 0.00 0.00 175.30 176.40 2a54 s SER 180 N 1.34 5.01 0.00 0.23 0.15 -1.26 -0.68 113.70 118.48 2a54 s SER 180 Ca -0.01 2.67 0.27 0.00 0.70 0.00 0.00 55.95 59.58 2a54 s SER 180 Cb -0.19 -2.63 0.84 0.00 -1.71 0.00 0.00 66.02 62.34 2a54 s SER 180 CO -0.09 -1.74 1.63 0.29 1.20 0.00 0.00 173.24 174.53 2a54 n LYS 181 N -1.42 0.31 -2.84 5.44 5.02 -0.63 -4.84 118.16 119.20 2a54 n LYS 181 Ca 0.13 -0.14 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 2a54 n LYS 181 Cb 0.47 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 2a54 n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a54 s LYS 182 N -2.79 3.99 0.55 1.97 1.02 -1.26 -4.98 119.74 118.24 2a54 s LYS 182 Ca 0.18 0.79 -0.20 0.00 0.02 0.00 0.00 55.97 56.76 2a54 s LYS 182 Cb 0.19 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 2a54 s LYS 182 CO 0.59 -0.02 1.19 -1.25 -0.92 0.00 0.00 175.35 174.94 2a54 s PRO 183 N -3.46 3.21 0.62 -1.68 0.04 -1.26 -4.88 135.00 127.60 2a54 s PRO 183 Ca 0.56 1.80 0.35 0.00 0.04 0.00 0.00 61.00 63.75 2a54 s PRO 183 Cb -0.10 -2.05 2.00 0.00 0.04 0.00 0.00 34.50 34.38 2a54 s PRO 183 CO 0.22 -1.00 2.25 0.00 0.04 0.00 0.00 177.00 178.51 2a54 h ALA 184 N 1.21 1.39 0.00 8.56 0.00 -1.94 0.98 119.26 129.45 2a54 h ALA 184 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a54 h ALA 184 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2a54 h ALA 184 CO 0.57 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.61 2a54 n SER 185 N -3.51 0.53 -0.94 0.00 3.41 -1.26 -2.90 113.62 108.94 2a54 n SER 185 Ca -0.02 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.29 2a54 n SER 185 Cb 0.14 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.64 2a54 n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a54 n ALA 186 N -1.70 2.45 -2.48 7.33 0.00 0.34 -4.97 120.51 121.48 2a54 n ALA 186 Ca 0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 53.44 52.38 2a54 n ALA 186 Cb 0.30 -0.96 -0.13 0.00 0.00 0.00 0.00 19.45 18.66 2a54 n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a54 s LEU 187 N -1.42 2.24 -0.42 0.00 1.43 -1.14 -5.01 118.68 114.37 2a54 s LEU 187 Ca 0.36 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2a54 s LEU 187 Cb 0.20 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.46 2a54 s LEU 187 CO 0.29 0.13 0.29 -0.54 0.23 0.00 0.00 176.35 176.75 2a54 s LYS 188 N -1.59 2.85 0.11 1.70 1.02 -1.26 -5.02 119.74 117.55 2a54 s LYS 188 Ca 0.08 -1.21 -0.30 0.00 0.02 0.00 0.00 55.97 54.57 2a54 s LYS 188 Cb -0.10 -3.90 -0.06 0.00 -0.52 0.00 0.00 37.83 33.25 2a54 s LYS 188 CO 0.03 -0.84 1.01 -1.64 -0.92 0.00 0.00 175.35 172.99 2a54 s MET 189 N 1.58 4.64 0.38 1.68 -1.94 -1.26 -4.66 119.30 119.71 2a54 s MET 189 Ca 0.03 1.53 -0.25 0.00 -1.71 0.00 0.00 55.69 55.29 2a54 s MET 189 Cb -0.21 -3.36 -0.09 0.00 2.01 0.00 0.00 34.83 33.18 2a54 s MET 189 CO 0.07 0.11 1.07 -1.25 -0.01 0.00 0.00 175.02 175.01 2a54 s PRO 190 N 0.13 4.24 1.11 2.03 0.04 -1.26 -4.87 135.00 136.42 2a54 s PRO 190 Ca 0.49 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 2a54 s PRO 190 Cb -0.25 -2.68 0.24 0.00 0.04 0.00 0.00 34.50 31.86 2a54 s PRO 190 CO 0.31 -0.09 1.12 0.20 0.04 0.00 0.00 177.00 178.58 2a54 s GLY 191 N -1.40 1.58 0.18 0.56 0.00 -1.26 -4.50 107.32 102.48 2a54 s GLY 191 Ca 0.55 -0.74 -0.33 0.00 0.00 0.00 0.00 44.72 44.20 2a54 s GLY 191 CO 0.31 0.03 1.50 0.33 0.00 0.00 0.00 173.10 175.27 2a54 n PHE 192 N -4.46 2.19 -3.84 1.90 7.35 -1.26 -4.76 117.46 114.58 2a54 n PHE 192 Ca 0.10 0.35 -0.09 0.00 -0.76 0.00 0.00 57.45 57.05 2a54 n PHE 192 Cb 0.59 -2.50 0.01 0.00 0.35 0.00 0.00 39.48 37.93 2a54 n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2a54 s HIS 193 N 0.54 0.15 0.00 -5.13 -3.43 -0.76 -4.98 115.29 101.69 2a54 s HIS 193 Ca 0.75 -0.76 0.02 0.00 -0.80 0.00 0.00 55.06 54.27 2a54 s HIS 193 Cb -0.68 0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 31.16 2a54 s HIS 193 CO 0.43 -1.48 0.01 -0.06 -2.00 0.00 0.00 174.74 171.63 2a54 s PHE 194 N -2.64 3.08 -0.26 0.38 0.40 0.22 -1.15 117.98 118.01 2a54 s PHE 194 Ca 0.16 0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 2a54 s PHE 194 Cb -0.05 -1.66 0.07 0.00 0.51 0.00 0.00 43.02 41.89 2a54 s PHE 194 CO 0.11 0.47 -0.03 -1.21 0.70 0.00 0.00 175.22 175.26 2a54 s GLU 195 N -1.62 1.61 0.13 0.44 2.02 0.44 -0.63 118.70 121.09 2a54 s GLU 195 Ca 0.20 -1.17 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 2a54 s GLU 195 Cb -0.12 -2.66 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 2a54 s GLU 195 CO 0.11 -0.67 1.02 -0.51 0.02 0.00 0.00 175.26 175.23 2a54 s ASP 196 N 1.30 7.39 -0.12 -0.19 1.01 0.04 -0.94 116.67 125.17 2a54 s ASP 196 Ca -0.03 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.14 2a54 s ASP 196 Cb -0.19 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.17 2a54 s ASP 196 CO -0.08 -0.15 -0.12 -1.00 0.21 0.00 0.00 175.17 174.04 2a54 s HIS 197 N 0.00 1.78 -0.37 4.23 3.76 0.39 -1.56 115.29 123.52 2a54 s HIS 197 Ca 0.49 -0.89 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 2a54 s HIS 197 Cb -0.26 -1.36 0.03 0.00 1.11 0.00 0.00 32.58 32.11 2a54 s HIS 197 CO 0.31 -0.53 0.19 0.50 -0.85 0.00 0.00 174.74 174.37 2a54 s ARG 198 N 1.38 2.76 -0.18 1.40 6.06 0.21 -1.40 118.95 129.18 2a54 s ARG 198 Ca 0.00 -1.13 -0.02 0.00 -2.50 0.00 0.00 55.73 52.09 2a54 s ARG 198 Cb -0.13 -3.68 -0.01 0.00 0.06 0.00 0.00 34.95 31.18 2a54 s ARG 198 CO -0.06 -0.71 -0.10 0.42 -2.50 0.00 0.00 175.30 172.35 2a54 s ILE 199 N 1.52 3.09 -0.04 4.11 1.01 -1.26 -1.57 121.20 128.06 2a54 s ILE 199 Ca 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2a54 s ILE 199 Cb -0.19 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.94 2a54 s ILE 199 CO 0.06 0.48 -0.07 -1.61 0.00 0.00 0.00 174.94 173.80 2a54 s GLU 200 N 1.00 1.01 -0.48 2.79 2.02 -0.03 -4.60 118.70 120.41 2a54 s GLU 200 Ca -0.01 -0.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.50 2a54 s GLU 200 Cb -0.15 -0.94 0.02 0.00 0.10 0.00 0.00 34.13 33.17 2a54 s GLU 200 CO -0.01 -0.03 1.22 0.42 0.02 0.00 0.00 175.26 176.88 2a54 s ILE 201 N 0.75 4.10 0.15 -1.63 -1.09 -1.26 -0.37 121.20 121.84 2a54 s ILE 201 Ca -0.11 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 2a54 s ILE 201 Cb -0.14 -4.53 -0.17 0.00 -1.58 0.00 0.00 42.46 36.04 2a54 s ILE 201 CO 0.01 -1.01 1.33 0.24 -1.23 0.00 0.00 174.94 174.29 2a54 h MET 202 N 9.67 0.24 -1.73 2.79 2.86 -1.24 -3.47 114.93 124.07 2a54 h MET 202 Ca -0.24 -0.28 0.03 0.00 -2.06 0.00 0.00 59.70 57.14 2a54 h MET 202 Cb 1.07 0.08 -0.23 0.00 0.06 0.00 0.00 31.60 32.59 2a54 h MET 202 CO 1.13 1.02 0.38 -1.83 1.06 0.00 0.00 176.91 178.67 2a54 s GLU 203 N -3.14 0.69 -0.73 1.72 -1.05 -1.18 -5.00 118.70 110.01 2a54 s GLU 203 Ca -0.03 0.46 -0.16 0.00 -0.15 0.00 0.00 54.97 55.08 2a54 s GLU 203 Cb 0.09 0.33 0.16 0.00 -0.44 0.00 0.00 34.13 34.27 2a54 s GLU 203 CO 0.84 -0.16 0.76 -2.00 0.95 0.00 0.00 175.26 175.65 2a54 s GLU 204 N -0.43 3.34 0.10 -4.83 2.12 -1.26 -1.12 118.70 116.63 2a54 s GLU 204 Ca -0.02 -1.92 -0.18 0.00 0.36 0.00 0.00 54.97 53.21 2a54 s GLU 204 Cb -0.03 -4.44 -0.06 0.00 0.26 0.00 0.00 34.13 29.87 2a54 s GLU 204 CO 0.00 -1.44 1.62 0.28 -0.54 0.00 0.00 175.26 175.19 2a54 h VAL 205 N 5.45 1.20 -3.37 3.70 2.07 -1.32 -3.42 116.25 120.55 2a54 h VAL 205 Ca -0.07 -0.62 -0.37 0.00 0.82 0.00 0.00 66.70 66.46 2a54 h VAL 205 Cb 1.06 1.08 -0.37 0.00 -1.52 0.00 0.00 31.29 31.55 2a54 h VAL 205 CO 0.95 0.21 -0.75 -0.70 0.02 0.00 0.00 177.57 177.30 2a54 s GLU 206 N -5.42 0.23 -0.43 1.57 2.12 -0.92 -4.95 118.70 110.91 2a54 s GLU 206 Ca -0.13 0.19 -0.43 0.00 0.36 0.00 0.00 54.97 54.96 2a54 s GLU 206 Cb 0.08 -0.61 -0.17 0.00 0.26 0.00 0.00 34.13 33.69 2a54 s GLU 206 CO 0.73 -0.25 1.91 1.17 -0.54 0.00 0.00 175.26 178.29 2a54 n LYS 207 N 4.80 0.39 -0.92 4.30 3.00 -1.26 -0.73 118.16 127.73 2a54 n LYS 207 Ca -0.14 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2a54 n LYS 207 Cb 0.50 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2a54 n LYS 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a54 n GLY 208 N 5.68 0.33 0.00 3.14 0.00 -1.26 -4.75 105.19 108.33 2a54 n GLY 208 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2a54 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a54 n LYS 209 N -1.33 1.44 -3.71 1.61 5.02 0.10 -5.08 118.16 116.19 2a54 n LYS 209 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 2a54 n LYS 209 Cb 0.17 -0.67 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 2a54 n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a54 s TYR 211 N 1.60 0.34 -0.16 0.00 1.51 -1.26 -0.77 117.35 118.62 2a54 s TYR 211 Ca -0.06 -0.05 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 2a54 s TYR 211 Cb -0.11 -0.31 -0.03 0.00 -0.11 0.00 0.00 41.96 41.41 2a54 s TYR 211 CO -0.08 -0.06 -0.03 0.21 -1.11 0.00 0.00 175.55 174.48 2a54 s LYS 212 N 0.38 3.67 -0.05 -0.62 2.20 -0.28 -4.96 119.74 120.09 2a54 s LYS 212 Ca -0.04 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 2a54 s LYS 212 Cb -0.07 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.34 2a54 s LYS 212 CO -0.01 0.23 -0.08 -1.14 -0.36 0.00 0.00 175.35 173.99 2a54 s GLN 213 N 0.40 1.15 -0.01 4.03 0.74 -1.26 -0.63 119.66 124.07 2a54 s GLN 213 Ca -0.04 -0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.11 2a54 s GLN 213 Cb -0.14 -1.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.89 2a54 s GLN 213 CO 0.03 -0.01 0.11 -0.47 -0.55 0.00 0.00 175.29 174.40 2a54 s TYR 214 N 0.70 3.38 -0.00 1.67 5.04 0.50 -4.94 117.35 123.71 2a54 s TYR 214 Ca -0.12 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2a54 s TYR 214 Cb -0.14 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.40 2a54 s TYR 214 CO 0.02 0.59 0.00 -2.00 -1.34 0.00 0.00 175.55 172.82 2a54 s GLU 215 N -1.75 0.02 -0.06 4.97 2.12 -1.26 -0.85 118.70 121.89 2a54 s GLU 215 Ca 0.24 0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.63 2a54 s GLU 215 Cb -0.12 -0.06 -0.00 0.00 0.26 0.00 0.00 34.13 34.21 2a54 s GLU 215 CO 0.15 -0.02 -0.21 0.00 -0.54 0.00 0.00 175.26 174.64 2a54 s ALA 216 N 0.14 1.87 -0.00 6.30 0.00 -0.61 -4.99 121.76 124.48 2a54 s ALA 216 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.11 2a54 s ALA 216 Cb -0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 2a54 s ALA 216 CO -0.00 0.31 -0.04 0.00 0.00 0.00 0.00 175.76 176.03 2a54 s ALA 217 N 0.10 0.36 -0.05 0.00 0.00 -1.26 -0.62 121.76 120.29 2a54 s ALA 217 Ca -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.68 2a54 s ALA 217 Cb -0.14 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.91 2a54 s ALA 217 CO 0.04 0.08 -0.04 0.08 0.00 0.00 0.00 175.76 175.93 2a54 s VAL 218 N -0.13 0.50 -0.23 0.00 1.01 -0.60 -1.29 120.40 119.66 2a54 s VAL 218 Ca 0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 2a54 s VAL 218 Cb -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2a54 s VAL 218 CO -0.00 0.23 0.32 -0.83 0.00 0.00 0.00 175.10 174.82 2a54 s GLY 219 N 1.11 2.02 0.27 4.51 0.00 0.05 -0.78 107.32 114.50 2a54 s GLY 219 Ca -0.08 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 2a54 s GLY 219 CO -0.01 0.72 0.61 1.09 0.00 0.00 0.00 173.10 175.51 2a54 s ARG 220 N 1.38 1.71 0.60 2.90 1.70 0.19 -1.38 118.95 126.06 2a54 s ARG 220 Ca 0.15 -1.15 0.04 0.00 -0.47 0.00 0.00 55.73 54.29 2a54 s ARG 220 Cb -0.15 0.55 0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2a54 s ARG 220 CO 0.07 -0.76 0.83 0.71 -1.08 0.00 0.00 175.30 175.08 2a54 s TYR 221 N -3.85 2.03 -1.11 5.89 4.12 -1.26 -0.61 117.35 122.55 2a54 s TYR 221 Ca 0.17 -0.34 -0.22 0.00 0.02 0.00 0.00 57.07 56.70 2a54 s TYR 221 Cb -0.04 -2.65 0.03 0.00 -1.52 0.00 0.00 41.96 37.78 2a54 s TYR 221 CO 0.08 -1.19 1.66 0.00 0.02 0.00 0.00 175.55 176.13 2a54 h ASP 223 N 9.25 0.00 0.61 0.00 3.04 -1.98 -3.33 116.42 124.00 2a54 h ASP 223 Ca 0.27 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.91 2a54 h ASP 223 Cb 0.96 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 39.23 2a54 h ASP 223 CO 1.39 0.22 -0.70 0.00 -2.04 0.00 0.00 179.24 178.11 2a54 h ALA 224 N 1.78 0.82 -3.08 4.15 0.00 -2.06 -3.38 119.26 117.49 2a54 h ALA 224 Ca -0.00 -0.62 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 2a54 h ALA 224 Cb 0.99 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.27 2a54 h ALA 224 CO 0.03 0.84 -0.71 0.00 0.00 0.00 0.00 179.25 179.41 2a54 s ALA 225 N -3.48 2.42 0.61 0.00 0.00 -1.25 -5.12 121.76 114.95 2a54 s ALA 225 Ca -0.02 -2.76 -0.14 0.00 0.00 0.00 0.00 51.96 49.04 2a54 s ALA 225 Cb 0.12 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2a54 s ALA 225 CO 0.79 -2.05 1.05 -1.25 0.00 0.00 0.00 175.76 174.29 2a54 s PRO 226 N 0.19 3.31 0.59 0.00 0.04 -1.26 -4.94 135.00 132.93 2a54 s PRO 226 Ca 0.18 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.14 2a54 s PRO 226 Cb -0.24 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2a54 s PRO 226 CO 0.00 -0.81 1.08 0.45 0.04 0.00 0.00 177.00 177.77 2a54 s SER 227 N -3.12 5.66 -0.04 6.66 0.15 -1.26 -4.97 113.70 116.78 2a54 s SER 227 Ca 0.61 1.96 0.15 0.00 0.70 0.00 0.00 55.95 59.37 2a54 s SER 227 Cb -0.15 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 62.08 2a54 s SER 227 CO 0.41 -1.25 1.39 0.29 1.20 0.00 0.00 173.24 175.28 2a54 n LYS 228 N -1.84 2.99 -0.01 5.44 5.02 -1.26 -4.53 118.16 123.97 2a54 n LYS 228 Ca 0.10 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.99 2a54 n LYS 228 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2a54 n LYS 228 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2a54 n LEU 229 N 0.69 1.31 0.00 -0.35 4.77 -1.26 -5.01 117.00 117.15 2a54 n LEU 229 Ca 0.18 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.81 2a54 n LEU 229 Cb 0.60 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 2a54 n LEU 229 CO 0.13 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2a54 n GLY 230 N -0.35 0.60 3.81 -0.72 0.00 -1.26 -5.04 105.19 102.23 2a54 n GLY 230 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2a54 n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a54 s HIS 231 N -2.25 3.23 -1.86 1.61 3.76 -1.26 -5.08 115.29 113.44 2a54 s HIS 231 Ca 0.00 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.51 2a54 s HIS 231 Cb 0.00 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.78 2a54 s HIS 231 CO 0.00 -0.31 0.47 0.09 -0.85 0.00 0.00 174.74 174.14