#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a52 n LYS 67 N 0.00 0.04 0.26 -1.46 4.76 -1.26 -2.75 118.16 117.75 2a52 n LYS 67 Ca 0.00 0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.66 2a52 n LYS 67 Cb 0.00 -1.50 0.70 0.00 -1.84 0.00 0.00 35.03 32.39 2a52 n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2a52 h THR 68 N 0.00 0.47 -3.24 -0.18 2.02 -2.03 -3.35 112.91 106.60 2a52 h THR 68 Ca 0.00 -0.62 -0.80 0.00 0.77 0.00 0.00 66.41 65.76 2a52 h THR 68 Cb 0.39 1.42 -0.28 0.00 -1.74 0.00 0.00 68.15 67.94 2a52 h THR 68 CO 0.00 0.12 0.60 0.49 0.37 0.00 0.00 175.52 177.10 2a52 n PHE 69 N -3.49 3.82 -4.29 3.16 3.01 -1.11 -4.85 117.46 113.71 2a52 n PHE 69 Ca -0.01 -3.29 -0.19 0.00 1.01 0.00 0.00 57.45 54.97 2a52 n PHE 69 Cb 0.27 -1.48 -0.16 0.00 -0.01 0.00 0.00 39.48 38.11 2a52 n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2a52 s ILE 70 N -2.02 0.65 -0.43 4.37 1.01 -1.26 -4.43 121.20 119.09 2a52 s ILE 70 Ca 0.31 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.46 2a52 s ILE 70 Cb -0.03 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.87 2a52 s ILE 70 CO 0.01 0.22 0.79 -0.75 0.00 0.00 0.00 174.94 175.20 2a52 s LYS 71 N 0.33 3.49 -0.16 2.79 2.20 -0.55 -4.92 119.74 122.93 2a52 s LYS 71 Ca -0.05 -0.00 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 2a52 s LYS 71 Cb -0.09 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.28 2a52 s LYS 71 CO 0.00 -1.05 0.39 0.71 -0.36 0.00 0.00 175.35 175.04 2a52 s TYR 72 N 3.25 3.45 0.42 4.03 2.02 -1.26 -0.36 117.35 128.91 2a52 s TYR 72 Ca 0.30 0.71 0.07 0.00 -0.37 0.00 0.00 57.07 57.78 2a52 s TYR 72 Cb -0.12 -2.47 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 2a52 s TYR 72 CO 0.21 0.13 0.22 0.14 -1.57 0.00 0.00 175.55 174.69 2a52 s VAL 73 N 0.79 2.31 -1.84 0.71 -7.23 -0.37 -4.76 120.40 110.01 2a52 s VAL 73 Ca 0.21 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2a52 s VAL 73 Cb -0.14 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.85 2a52 s VAL 73 CO 0.07 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.66 2a52 n SER 74 N -1.31 -5.49 -0.11 4.85 7.64 -1.26 -2.55 113.62 115.39 2a52 n SER 74 Ca -0.01 0.20 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 2a52 n SER 74 Cb 0.64 -4.60 -0.01 0.00 -1.01 0.00 0.00 64.21 59.24 2a52 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a52 n GLY 75 N -0.83 0.44 3.69 0.23 0.00 -1.26 -4.98 105.19 102.48 2a52 n GLY 75 Ca -0.22 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2a52 n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a52 s ILE 76 N -1.74 2.85 0.45 -0.61 1.01 -1.06 -4.95 121.20 117.16 2a52 s ILE 76 Ca 0.00 0.36 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 2a52 s ILE 76 Cb 0.00 -3.23 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 2a52 s ILE 76 CO 0.00 0.00 1.42 -2.65 0.00 0.00 0.00 174.94 173.71 2a52 n PRO 77 N 5.44 2.21 -3.42 2.79 -0.02 -1.26 -4.81 135.00 135.93 2a52 n PRO 77 Ca 0.16 0.79 -0.44 0.00 -2.02 0.00 0.00 63.50 61.99 2a52 n PRO 77 Cb 0.40 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 2a52 n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2a52 s ASP 78 N -0.49 6.24 0.36 2.55 -1.08 -1.26 -4.54 116.67 118.44 2a52 s ASP 78 Ca 0.62 -2.43 0.03 0.00 -0.52 0.00 0.00 52.55 50.25 2a52 s ASP 78 Cb -0.45 -2.12 0.68 0.00 -1.46 0.00 0.00 42.92 39.56 2a52 s ASP 78 CO 0.57 -0.61 2.00 0.22 0.52 0.00 0.00 175.17 177.87 2a52 h TYR 79 N 7.97 0.78 0.08 -5.34 3.20 -1.93 -1.90 116.97 119.82 2a52 h TYR 79 Ca -0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2a52 h TYR 79 Cb 1.04 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2a52 h TYR 79 CO 0.86 0.47 -0.04 0.74 -1.64 0.00 0.00 178.16 178.55 2a52 h PHE 80 N 0.82 -0.10 -0.14 -3.82 -1.00 -1.91 -2.95 116.94 107.83 2a52 h PHE 80 Ca 0.25 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.99 2a52 h PHE 80 Cb 0.01 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 2a52 h PHE 80 CO -0.00 0.46 -0.09 0.87 -1.61 0.00 0.00 178.31 177.93 2a52 h LYS 81 N -0.84 0.22 0.00 1.51 1.57 -1.87 -2.03 116.57 115.13 2a52 h LYS 81 Ca -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2a52 h LYS 81 Cb 0.60 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2a52 h LYS 81 CO 0.02 0.33 -0.10 1.96 -0.57 0.00 0.00 179.45 181.09 2a52 h GLN 82 N 0.21 0.00 0.00 3.15 4.20 -1.36 -3.12 115.11 118.19 2a52 h GLN 82 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2a52 h GLN 82 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2a52 h GLN 82 CO 0.02 0.10 0.00 0.43 -0.67 0.00 0.00 178.83 178.70 2a52 n SER 83 N -3.46 0.03 -4.89 1.46 7.64 -0.76 -4.83 113.62 108.80 2a52 n SER 83 Ca -0.01 0.50 -0.29 0.00 1.01 0.00 0.00 58.87 60.08 2a52 n SER 83 Cb 0.25 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.92 2a52 n SER 83 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2a52 s PHE 84 N -3.00 3.51 -0.50 1.43 0.40 -1.18 -0.89 117.98 117.76 2a52 s PHE 84 Ca 0.14 0.95 0.25 0.00 -0.60 0.00 0.00 56.93 57.67 2a52 s PHE 84 Cb 0.19 -2.39 0.96 0.00 0.51 0.00 0.00 43.02 42.29 2a52 s PHE 84 CO 0.53 -0.19 1.74 -1.00 0.70 0.00 0.00 175.22 177.00 2a52 h PRO 85 N 0.79 0.00 -0.37 0.24 0.13 -1.90 -3.45 132.00 127.43 2a52 h PRO 85 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 2a52 h PRO 85 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2a52 h PRO 85 CO 0.63 0.00 -0.30 0.93 -0.23 0.00 0.00 178.00 179.02 2a52 h GLU 86 N 0.00 0.86 0.00 0.86 3.07 -1.89 -3.35 114.58 114.13 2a52 h GLU 86 Ca 0.00 -0.43 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2a52 h GLU 86 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2a52 h GLU 86 CO 0.00 1.07 0.00 0.41 -1.40 0.00 0.00 179.01 179.09 2a52 n GLY 87 N 0.08 -1.10 3.75 -3.84 0.00 -0.06 -4.59 105.19 99.44 2a52 n GLY 87 Ca -0.02 -1.96 -0.08 0.00 0.00 0.00 0.00 46.02 43.96 2a52 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2a52 s PHE 88 N 0.00 -0.08 0.33 1.61 -0.71 -0.94 -1.56 117.98 116.63 2a52 s PHE 88 Ca 0.00 -0.33 0.08 0.00 -1.04 0.00 0.00 56.93 55.64 2a52 s PHE 88 Cb 0.00 0.57 -0.06 0.00 -1.21 0.00 0.00 43.02 42.31 2a52 s PHE 88 CO 0.00 -1.14 -0.06 0.95 -1.34 0.00 0.00 175.22 173.62 2a52 s THR 89 N -3.93 1.94 0.05 -4.49 -4.23 0.05 -0.76 115.64 104.27 2a52 s THR 89 Ca 0.13 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2a52 s THR 89 Cb -0.04 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.14 2a52 s THR 89 CO 0.06 -0.20 0.03 -1.66 -0.54 0.00 0.00 174.62 172.30 2a52 s TRP 90 N -2.80 0.39 -0.00 3.99 1.48 -0.75 -0.80 118.94 120.44 2a52 s TRP 90 Ca 0.32 -0.86 -0.00 0.00 -1.06 0.00 0.00 56.10 54.49 2a52 s TRP 90 Cb 0.04 -0.28 0.00 0.00 -1.16 0.00 0.00 33.47 32.07 2a52 s TRP 90 CO 0.15 -0.39 0.01 -1.83 -4.06 0.00 0.00 176.95 170.83 2a52 s GLU 91 N -3.53 0.01 -0.16 3.25 -1.05 -0.37 -0.92 118.70 115.93 2a52 s GLU 91 Ca 0.03 0.03 -0.14 0.00 -0.15 0.00 0.00 54.97 54.74 2a52 s GLU 91 Cb 0.05 -0.02 0.04 0.00 -0.44 0.00 0.00 34.13 33.76 2a52 s GLU 91 CO -0.09 -0.01 0.41 0.50 0.95 0.00 0.00 175.26 177.02 2a52 s ARG 92 N 0.09 0.47 -0.10 -4.83 3.52 -0.30 -1.23 118.95 116.57 2a52 s ARG 92 Ca -0.01 0.60 0.03 0.00 -0.13 0.00 0.00 55.73 56.22 2a52 s ARG 92 Cb -0.01 0.20 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 2a52 s ARG 92 CO -0.00 -0.07 -0.21 0.99 -0.81 0.00 0.00 175.30 175.19 2a52 s THR 93 N 0.37 1.89 -0.20 4.11 2.01 -0.72 -0.90 115.64 122.20 2a52 s THR 93 Ca -0.01 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 2a52 s THR 93 Cb -0.04 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.79 2a52 s THR 93 CO -0.01 0.52 0.04 -0.89 -0.69 0.00 0.00 174.62 173.59 2a52 s THR 94 N 0.51 4.30 -0.20 -0.82 2.01 0.16 -1.29 115.64 120.31 2a52 s THR 94 Ca -0.16 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 2a52 s THR 94 Cb -0.17 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 2a52 s THR 94 CO 0.06 0.42 -0.00 0.42 -0.69 0.00 0.00 174.62 174.82 2a52 s THR 95 N 0.91 3.91 0.13 -0.82 -4.23 0.02 -1.09 115.64 114.48 2a52 s THR 95 Ca 0.02 -0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 2a52 s THR 95 Cb -0.14 -2.77 -0.06 0.00 1.34 0.00 0.00 72.50 70.87 2a52 s THR 95 CO 0.02 0.43 0.46 -0.31 -0.54 0.00 0.00 174.62 174.69 2a52 s TYR 96 N 1.01 3.55 0.44 3.99 1.51 0.72 -0.86 117.35 127.70 2a52 s TYR 96 Ca 0.02 0.84 0.35 0.00 -1.01 0.00 0.00 57.07 57.27 2a52 s TYR 96 Cb -0.14 -2.21 1.78 0.00 -0.11 0.00 0.00 41.96 41.27 2a52 s TYR 96 CO 0.02 0.44 2.16 1.05 -1.11 0.00 0.00 175.55 178.11 2a52 h GLU 97 N 3.35 0.00 -0.64 -0.62 4.11 -1.61 -1.90 114.58 117.27 2a52 h GLU 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2a52 h GLU 97 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2a52 h GLU 97 CO 0.67 0.05 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 2a52 n ASP 98 N -3.34 5.05 0.00 3.06 5.75 -1.26 -4.94 116.55 120.86 2a52 n ASP 98 Ca -0.02 -2.60 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2a52 n ASP 98 Cb 0.19 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 2a52 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a52 n GLY 99 N 0.97 2.25 3.77 6.12 0.00 -0.72 -4.53 105.19 113.05 2a52 n GLY 99 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 2a52 n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a52 s GLY 100 N -2.33 2.68 -0.03 -0.02 0.00 -1.21 -4.61 107.32 101.81 2a52 s GLY 100 Ca 0.00 0.86 0.04 0.00 0.00 0.00 0.00 44.72 45.63 2a52 s GLY 100 CO 0.00 1.25 -0.15 -1.36 0.00 0.00 0.00 173.10 172.84 2a52 s PHE 101 N -1.70 1.47 -0.17 1.90 0.40 -0.48 -0.20 117.98 119.20 2a52 s PHE 101 Ca 0.70 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.65 2a52 s PHE 101 Cb -0.25 -0.98 0.05 0.00 0.51 0.00 0.00 43.02 42.35 2a52 s PHE 101 CO 0.29 -0.10 0.01 -1.17 0.70 0.00 0.00 175.22 174.96 2a52 s LEU 102 N -0.08 1.21 -0.08 -0.37 0.20 -0.25 -1.09 118.68 118.21 2a52 s LEU 102 Ca -0.00 -0.70 -0.00 0.00 0.69 0.00 0.00 54.13 54.12 2a52 s LEU 102 Cb -0.09 -0.64 -0.03 0.00 -0.43 0.00 0.00 46.19 45.00 2a52 s LEU 102 CO 0.01 -0.27 -0.04 -0.89 -0.29 0.00 0.00 176.35 174.87 2a52 s THR 103 N 1.83 3.94 -0.02 3.68 2.01 0.57 -0.67 115.64 126.98 2a52 s THR 103 Ca 0.00 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 2a52 s THR 103 Cb -0.16 -2.63 0.00 0.00 0.01 0.00 0.00 72.50 69.72 2a52 s THR 103 CO -0.07 0.59 0.12 0.00 -0.69 0.00 0.00 174.62 174.57 2a52 s ALA 104 N -0.75 -0.29 -0.01 7.40 0.00 -0.08 -0.72 121.76 127.30 2a52 s ALA 104 Ca 0.12 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2a52 s ALA 104 Cb -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2a52 s ALA 104 CO 0.02 -0.15 -0.20 -1.58 0.00 0.00 0.00 175.76 173.85 2a52 s HIS 105 N -0.79 1.81 -0.00 0.00 5.65 -0.40 -1.14 115.29 120.41 2a52 s HIS 105 Ca -0.09 -0.34 0.02 0.00 0.25 0.00 0.00 55.06 54.89 2a52 s HIS 105 Cb -0.05 -1.15 -0.00 0.00 -1.18 0.00 0.00 32.58 30.19 2a52 s HIS 105 CO 0.01 -0.02 -0.05 -1.14 -0.65 0.00 0.00 174.74 172.89 2a52 s GLN 106 N -0.54 0.42 -0.12 2.88 -0.44 -0.10 -1.20 119.66 120.56 2a52 s GLN 106 Ca 0.08 -0.19 -0.02 0.00 -2.50 0.00 0.00 55.36 52.72 2a52 s GLN 106 Cb -0.08 -0.40 -0.03 0.00 -1.64 0.00 0.00 33.01 30.86 2a52 s GLN 106 CO -0.01 0.11 -0.04 0.34 0.50 0.00 0.00 175.29 176.19 2a52 s ASP 107 N -0.15 4.80 -0.18 6.67 -1.08 -0.03 -1.82 116.67 124.89 2a52 s ASP 107 Ca 0.02 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 2a52 s ASP 107 Cb -0.02 -1.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.88 2a52 s ASP 107 CO -0.00 0.25 -0.16 -0.89 0.52 0.00 0.00 175.17 174.88 2a52 s THR 108 N -0.13 2.38 0.38 1.71 2.01 0.06 -1.53 115.64 120.51 2a52 s THR 108 Ca 0.03 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2a52 s THR 108 Cb -0.13 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2a52 s THR 108 CO 0.03 0.51 0.08 -0.94 -0.69 0.00 0.00 174.62 173.61 2a52 s SER 109 N 1.27 2.74 -0.21 3.53 1.04 -0.68 -2.21 113.70 119.17 2a52 s SER 109 Ca 0.04 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.95 2a52 s SER 109 Cb -0.14 0.20 0.05 0.00 0.10 0.00 0.00 66.02 66.24 2a52 s SER 109 CO -0.09 -0.76 -0.06 -0.22 0.98 0.00 0.00 173.24 173.09 2a52 s LEU 110 N -3.58 2.30 -0.82 2.42 2.96 -1.26 -1.35 118.68 119.35 2a52 s LEU 110 Ca 0.28 -1.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.10 2a52 s LEU 110 Cb 0.06 -1.13 0.21 0.00 0.50 0.00 0.00 46.19 45.83 2a52 s LEU 110 CO 0.14 -0.21 0.73 -0.62 -1.32 0.00 0.00 176.35 175.07 2a52 s ASP 111 N 1.45 6.32 1.33 3.68 3.68 0.00 -4.93 116.67 128.20 2a52 s ASP 111 Ca -0.04 -3.00 0.00 0.00 2.13 0.00 0.00 52.55 51.65 2a52 s ASP 111 Cb -0.18 -2.07 0.00 0.00 -1.45 0.00 0.00 42.92 39.22 2a52 s ASP 111 CO -0.07 -0.43 0.00 0.61 0.13 0.00 0.00 175.17 175.41 2a52 n GLY 112 N 3.45 1.53 0.61 2.66 0.00 -1.26 -2.14 105.19 110.04 2a52 n GLY 112 Ca 0.15 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.24 2a52 n GLY 112 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2a52 n ASP 113 N 10.58 2.24 -4.54 1.61 8.00 -1.26 -4.98 116.55 128.21 2a52 n ASP 113 Ca 0.00 -1.62 -0.35 0.00 0.71 0.00 0.00 54.79 53.53 2a52 n ASP 113 Cb 0.00 0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 2a52 n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2a52 s LEU 115 N 0.70 4.42 -0.08 0.00 1.43 -1.26 -0.82 118.68 123.07 2a52 s LEU 115 Ca 0.02 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.40 2a52 s LEU 115 Cb -0.14 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.32 2a52 s LEU 115 CO 0.02 -0.31 -0.11 0.54 0.23 0.00 0.00 176.35 176.73 2a52 s VAL 116 N -1.28 1.10 -0.08 -1.59 0.11 -0.46 -4.91 120.40 113.30 2a52 s VAL 116 Ca 0.49 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 2a52 s VAL 116 Cb -0.31 -1.04 -0.03 0.00 -1.53 0.00 0.00 36.38 33.47 2a52 s VAL 116 CO 0.39 0.36 -0.10 -0.31 -3.33 0.00 0.00 175.10 172.11 2a52 s TYR 117 N 1.01 2.85 -0.14 1.54 2.02 -1.26 -1.68 117.35 121.68 2a52 s TYR 117 Ca -0.08 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.46 2a52 s TYR 117 Cb -0.15 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.72 2a52 s TYR 117 CO -0.00 0.18 -0.07 0.15 -1.57 0.00 0.00 175.55 174.23 2a52 s LYS 118 N -0.53 1.58 -0.03 -0.62 3.01 -0.58 -4.98 119.74 117.57 2a52 s LYS 118 Ca 0.08 -0.41 0.05 0.00 -1.01 0.00 0.00 55.97 54.67 2a52 s LYS 118 Cb -0.12 -1.84 -0.01 0.00 -1.01 0.00 0.00 37.83 34.85 2a52 s LYS 118 CO 0.02 -0.34 -0.17 0.14 0.51 0.00 0.00 175.35 175.51 2a52 s VAL 119 N 1.65 1.41 -0.06 3.17 -7.23 -1.26 -0.85 120.40 117.22 2a52 s VAL 119 Ca 0.03 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 2a52 s VAL 119 Cb -0.14 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 2a52 s VAL 119 CO -0.08 0.40 -0.17 -0.54 -0.31 0.00 0.00 175.10 174.40 2a52 s LYS 120 N -0.08 2.64 -0.02 4.82 1.02 -0.34 -4.99 119.74 122.78 2a52 s LYS 120 Ca -0.01 -0.75 0.03 0.00 0.02 0.00 0.00 55.97 55.26 2a52 s LYS 120 Cb -0.10 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.85 2a52 s LYS 120 CO 0.01 0.50 -0.11 0.42 -0.92 0.00 0.00 175.35 175.25 2a52 s ILE 121 N -0.41 0.93 -0.11 2.17 1.01 -1.26 -1.28 121.20 122.25 2a52 s ILE 121 Ca 0.04 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 2a52 s ILE 121 Cb -0.12 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.57 2a52 s ILE 121 CO 0.02 0.28 -0.01 -0.76 0.00 0.00 0.00 174.94 174.47 2a52 s LEU 122 N 0.04 0.87 0.06 2.97 1.43 0.10 -5.01 118.68 119.15 2a52 s LEU 122 Ca -0.01 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2a52 s LEU 122 Cb -0.08 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 2a52 s LEU 122 CO 0.00 -0.20 -0.22 -0.83 0.23 0.00 0.00 176.35 175.33 2a52 s GLY 123 N 1.88 1.22 0.21 -3.19 0.00 -1.26 -0.31 107.32 105.86 2a52 s GLY 123 Ca 0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.38 2a52 s GLY 123 CO -0.06 -1.10 0.63 0.54 0.00 0.00 0.00 173.10 173.10 2a52 s ASN 124 N -1.43 -0.40 -1.39 1.64 2.20 -0.25 -4.97 114.94 110.34 2a52 s ASN 124 Ca 0.08 -0.30 0.00 0.00 -0.94 0.00 0.00 52.86 51.70 2a52 s ASN 124 Cb -0.09 0.64 0.00 0.00 -2.00 0.00 0.00 41.25 39.80 2a52 s ASN 124 CO 0.03 -1.12 0.00 0.59 -2.94 0.00 0.00 177.10 173.66 2a52 n ASN 125 N -0.40 -4.78 -4.71 3.54 3.02 -1.26 -1.38 115.26 109.29 2a52 n ASN 125 Ca -0.11 0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.34 2a52 n ASN 125 Cb 0.62 -3.43 -0.03 0.00 -0.61 0.00 0.00 39.78 36.33 2a52 n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a52 s PHE 126 N -2.42 3.18 0.17 3.10 0.08 -1.26 -3.28 117.98 117.55 2a52 s PHE 126 Ca 0.00 0.99 -0.31 0.00 0.12 0.00 0.00 56.93 57.73 2a52 s PHE 126 Cb 0.00 -3.62 -0.09 0.00 -0.57 0.00 0.00 43.02 38.74 2a52 s PHE 126 CO 0.00 -2.17 1.39 -1.25 -0.10 0.00 0.00 175.22 173.09 2a52 s PRO 127 N 1.45 4.32 0.53 0.24 0.04 -1.26 -4.90 135.00 135.43 2a52 s PRO 127 Ca 0.63 2.14 0.23 0.00 0.04 0.00 0.00 61.00 64.04 2a52 s PRO 127 Cb -0.34 -3.19 1.39 0.00 0.04 0.00 0.00 34.50 32.40 2a52 s PRO 127 CO 0.29 -0.39 2.06 0.00 0.04 0.00 0.00 177.00 179.00 2a52 h ALA 128 N 5.97 2.24 -0.07 8.56 0.00 -1.96 -1.16 119.26 132.85 2a52 h ALA 128 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2a52 h ALA 128 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2a52 h ALA 128 CO 0.82 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 179.29 2a52 n ASP 129 N -4.36 1.76 -4.92 0.00 3.85 -1.26 -4.20 116.55 107.42 2a52 n ASP 129 Ca 0.04 -1.62 -0.27 0.00 -0.71 0.00 0.00 54.79 52.24 2a52 n ASP 129 Cb 0.39 -0.04 0.04 0.00 -1.35 0.00 0.00 41.12 40.17 2a52 n ASP 129 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2a52 s GLY 130 N -1.88 1.63 0.50 6.12 0.00 -0.44 -4.88 107.32 108.39 2a52 s GLY 130 Ca 0.36 -0.74 0.16 0.00 0.00 0.00 0.00 44.72 44.50 2a52 s GLY 130 CO 0.31 -0.41 2.10 -2.55 0.00 0.00 0.00 173.10 172.55 2a52 h PRO 131 N -0.34 0.09 0.28 2.90 0.11 -1.88 -1.41 132.00 131.75 2a52 h PRO 131 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2a52 h PRO 131 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2a52 h PRO 131 CO 0.61 0.06 -0.14 0.28 -0.21 0.00 0.00 178.00 178.60 2a52 h VAL 132 N 0.09 0.69 0.00 3.15 2.07 -1.90 0.75 116.25 121.10 2a52 h VAL 132 Ca 0.08 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2a52 h VAL 132 Cb 0.19 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2a52 h VAL 132 CO -0.01 0.13 0.00 0.24 0.02 0.00 0.00 177.57 177.96 2a52 h MET 133 N -0.81 0.00 -0.00 1.57 2.86 -1.73 -2.13 114.93 114.69 2a52 h MET 133 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2a52 h MET 133 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2a52 h MET 133 CO 0.06 0.00 -0.12 1.04 1.06 0.00 0.00 176.91 178.95 2a52 n GLN 134 N -2.92 0.55 -3.61 1.72 1.13 -0.54 -4.94 117.38 108.78 2a52 n GLN 134 Ca 0.03 -0.18 -0.20 0.00 -1.94 0.00 0.00 57.00 54.71 2a52 n GLN 134 Cb 0.44 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.34 2a52 n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2a52 n ASN 135 N -1.07 -1.59 -1.48 1.08 4.05 -0.80 -4.91 115.26 110.55 2a52 n ASN 135 Ca 0.13 -0.75 0.00 0.00 0.45 0.00 0.00 54.58 54.42 2a52 n ASN 135 Cb 0.28 -4.44 0.09 0.00 1.23 0.00 0.00 39.78 36.94 2a52 n ASN 135 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2a52 n LYS 136 N -4.24 1.25 -3.02 1.20 3.00 0.20 -5.05 118.16 111.50 2a52 n LYS 136 Ca -0.29 -2.94 -0.34 0.00 -0.00 0.00 0.00 58.31 54.75 2a52 n LYS 136 Cb 0.67 -1.07 -0.06 0.00 0.00 0.00 0.00 35.03 34.57 2a52 n LYS 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2a52 s ALA 137 N -2.11 3.26 0.00 3.14 0.00 -1.22 -4.36 121.76 120.48 2a52 s ALA 137 Ca 0.36 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.53 2a52 s ALA 137 Cb 0.38 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2a52 s ALA 137 CO -0.09 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.35 2a52 n GLY 138 N -0.13 0.02 3.50 0.00 0.00 -1.19 -4.76 105.19 102.63 2a52 n GLY 138 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2a52 n GLY 138 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2a52 s ARG 139 N 0.00 1.09 0.11 1.61 1.70 -0.76 -4.98 118.95 117.72 2a52 s ARG 139 Ca 0.00 0.14 -0.30 0.00 -0.47 0.00 0.00 55.73 55.10 2a52 s ARG 139 Cb 0.00 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.84 2a52 s ARG 139 CO 0.00 -0.37 1.00 -1.58 -1.08 0.00 0.00 175.30 173.28 2a52 s TRP 140 N -1.60 3.73 0.86 5.89 0.52 -1.26 -0.00 118.94 127.07 2a52 s TRP 140 Ca -0.09 1.72 -0.11 0.00 0.02 0.00 0.00 56.10 57.64 2a52 s TRP 140 Cb -0.00 -3.13 0.11 0.00 -1.15 0.00 0.00 33.47 29.30 2a52 s TRP 140 CO 0.06 -0.07 1.10 -1.21 0.02 0.00 0.00 176.95 176.85 2a52 s GLU 141 N 0.13 1.56 0.93 4.98 0.41 -0.34 -4.84 118.70 121.52 2a52 s GLU 141 Ca 0.49 1.10 -0.11 0.00 -0.41 0.00 0.00 54.97 56.04 2a52 s GLU 141 Cb -0.25 -1.82 0.15 0.00 -1.78 0.00 0.00 34.13 30.43 2a52 s GLU 141 CO 0.30 -2.11 1.09 -1.25 -0.49 0.00 0.00 175.26 172.80 2a52 s PRO 142 N -4.85 0.98 0.16 0.39 0.04 -1.26 -4.71 135.00 125.74 2a52 s PRO 142 Ca 0.63 0.99 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 2a52 s PRO 142 Cb -0.19 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.60 2a52 s PRO 142 CO 0.57 -2.48 0.36 0.00 0.04 0.00 0.00 177.00 175.49 2a52 s ALA 143 N -2.81 -0.41 -0.19 8.56 0.00 -0.55 -4.82 121.76 121.54 2a52 s ALA 143 Ca 0.65 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 2a52 s ALA 143 Cb -0.20 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.77 2a52 s ALA 143 CO 0.58 -0.68 -0.03 0.99 0.00 0.00 0.00 175.76 176.62 2a52 s THR 144 N -3.91 1.06 0.09 0.00 2.01 -1.26 -0.71 115.64 112.92 2a52 s THR 144 Ca 0.12 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 2a52 s THR 144 Cb 0.02 -1.34 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 2a52 s THR 144 CO -0.03 -0.01 0.69 -0.70 -0.69 0.00 0.00 174.62 173.88 2a52 s GLU 145 N 1.63 4.42 -0.05 4.92 2.12 -0.03 -4.58 118.70 127.13 2a52 s GLU 145 Ca -0.01 0.97 -0.20 0.00 0.36 0.00 0.00 54.97 56.09 2a52 s GLU 145 Cb -0.17 -3.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2a52 s GLU 145 CO -0.07 0.49 0.56 0.96 -0.54 0.00 0.00 175.26 176.66 2a52 s ILE 146 N -0.75 5.03 -0.06 -3.70 -4.36 -0.23 -0.57 121.20 116.57 2a52 s ILE 146 Ca 0.34 1.15 0.02 0.00 -0.26 0.00 0.00 60.65 61.90 2a52 s ILE 146 Cb -0.21 -3.89 0.01 0.00 1.25 0.00 0.00 42.46 39.62 2a52 s ILE 146 CO 0.22 0.37 -0.10 -0.69 0.24 0.00 0.00 174.94 174.98 2a52 s VAL 147 N 0.18 0.98 0.19 8.37 1.01 -0.33 -1.33 120.40 129.46 2a52 s VAL 147 Ca 0.30 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.67 2a52 s VAL 147 Cb -0.17 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.36 2a52 s VAL 147 CO 0.15 0.32 0.60 -0.72 0.00 0.00 0.00 175.10 175.45 2a52 s TYR 148 N 0.65 -0.38 0.07 5.22 1.13 -0.57 -1.57 117.35 121.90 2a52 s TYR 148 Ca -0.13 0.09 -0.27 0.00 -1.41 0.00 0.00 57.07 55.36 2a52 s TYR 148 Cb -0.15 0.55 -0.06 0.00 -1.10 0.00 0.00 41.96 41.21 2a52 s TYR 148 CO 0.03 -0.94 0.83 -2.00 -2.51 0.00 0.00 175.55 170.96 2a52 s GLU 149 N -3.81 4.57 -0.07 -3.49 2.12 -1.26 -0.41 118.70 116.35 2a52 s GLU 149 Ca 0.04 1.20 -0.04 0.00 0.36 0.00 0.00 54.97 56.53 2a52 s GLU 149 Cb -0.02 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 31.04 2a52 s GLU 149 CO -0.07 0.28 0.16 0.08 -0.54 0.00 0.00 175.26 175.17 2a52 s VAL 150 N -0.11 -0.03 -1.49 3.70 1.01 0.02 -4.87 120.40 118.62 2a52 s VAL 150 Ca 0.41 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 2a52 s VAL 150 Cb -0.22 -0.25 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2a52 s VAL 150 CO 0.25 0.05 0.22 0.47 0.00 0.00 0.00 175.10 176.09 2a52 n ASP 151 N 3.81 -5.24 -0.06 3.32 8.00 -1.26 -0.82 116.55 124.31 2a52 n ASP 151 Ca -0.22 -0.08 -0.01 0.00 0.71 0.00 0.00 54.79 55.20 2a52 n ASP 151 Cb 0.54 -4.33 -0.00 0.00 -0.02 0.00 0.00 41.12 37.30 2a52 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a52 n GLY 152 N -1.12 0.32 1.33 0.44 0.00 -1.26 -4.99 105.19 99.91 2a52 n GLY 152 Ca -0.16 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2a52 n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2a52 n VAL 153 N -2.50 0.00 -4.12 1.61 0.24 0.00 -4.80 118.33 108.76 2a52 n VAL 153 Ca -0.01 -0.93 -0.35 0.00 -2.04 0.00 0.00 64.34 61.01 2a52 n VAL 153 Cb 0.26 0.30 -0.09 0.00 -1.47 0.00 0.00 33.84 32.84 2a52 n VAL 153 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2a52 s LEU 154 N 0.00 3.86 -0.04 1.34 1.02 -1.05 -0.80 118.68 123.01 2a52 s LEU 154 Ca 0.06 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.42 2a52 s LEU 154 Cb 0.00 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 2a52 s LEU 154 CO 0.04 0.31 -0.03 -0.60 0.02 0.00 0.00 176.35 176.09 2a52 s ARG 155 N -0.44 2.77 0.04 1.70 3.52 0.45 -0.99 118.95 126.01 2a52 s ARG 155 Ca 0.10 -0.57 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 2a52 s ARG 155 Cb -0.12 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.60 2a52 s ARG 155 CO 0.02 0.65 -0.15 0.20 -0.81 0.00 0.00 175.30 175.21 2a52 s GLY 156 N -1.20 0.85 -0.01 8.12 0.00 0.23 -1.52 107.32 113.80 2a52 s GLY 156 Ca 0.16 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 44.02 2a52 s GLY 156 CO 0.06 -0.85 -0.05 1.20 0.00 0.00 0.00 173.10 173.46 2a52 s GLN 157 N -1.20 0.45 -0.08 2.90 -0.21 -0.44 -1.12 119.66 119.95 2a52 s GLN 157 Ca 0.02 -0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.09 2a52 s GLN 157 Cb -0.08 -0.45 0.03 0.00 1.00 0.00 0.00 33.01 33.51 2a52 s GLN 157 CO 0.01 0.08 0.36 0.54 -2.12 0.00 0.00 175.29 174.17 2a52 s VAL 158 N 0.03 0.02 -0.28 1.09 0.11 -1.00 -1.06 120.40 119.31 2a52 s VAL 158 Ca 0.00 -0.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.75 2a52 s VAL 158 Cb -0.04 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 2a52 s VAL 158 CO -0.00 -0.11 0.13 -0.76 -3.33 0.00 0.00 175.10 171.02 2a52 s LEU 159 N -0.52 3.80 0.28 2.54 1.43 -1.26 -0.90 118.68 124.05 2a52 s LEU 159 Ca -0.06 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2a52 s LEU 159 Cb -0.04 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 2a52 s LEU 159 CO 0.03 -0.08 0.17 -0.04 0.23 0.00 0.00 176.35 176.66 2a52 s MET 160 N 1.66 2.73 -0.11 1.70 -1.94 -0.57 -4.62 119.30 118.16 2a52 s MET 160 Ca 0.06 -1.20 -0.04 0.00 -1.71 0.00 0.00 55.69 52.80 2a52 s MET 160 Cb -0.16 -2.44 0.05 0.00 2.01 0.00 0.00 34.83 34.29 2a52 s MET 160 CO 0.07 0.31 0.16 0.00 -0.01 0.00 0.00 175.02 175.55 2a52 s ALA 161 N -2.22 -0.12 -0.23 3.03 0.00 -1.26 -1.30 121.76 119.65 2a52 s ALA 161 Ca 0.35 0.45 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 2a52 s ALA 161 Cb -0.07 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 2a52 s ALA 161 CO 0.24 -0.70 1.19 -1.17 0.00 0.00 0.00 175.76 175.32 2a52 s LEU 162 N 2.29 4.07 -0.60 0.00 2.96 0.02 -1.20 118.68 126.22 2a52 s LEU 162 Ca 0.04 1.44 -0.24 0.00 -0.22 0.00 0.00 54.13 55.14 2a52 s LEU 162 Cb -0.13 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.07 2a52 s LEU 162 CO -0.07 -0.81 1.00 -0.75 -1.32 0.00 0.00 176.35 174.40 2a52 s LYS 163 N 3.56 3.27 0.70 1.98 2.36 1.00 -1.21 119.74 131.41 2a52 s LYS 163 Ca 0.51 -0.39 -0.11 0.00 -2.55 0.00 0.00 55.97 53.43 2a52 s LYS 163 Cb -0.18 -4.11 0.01 0.00 -1.05 0.00 0.00 37.83 32.50 2a52 s LYS 163 CO 0.14 -1.66 1.08 0.00 1.55 0.00 0.00 175.35 176.46 2a52 s PRO 165 N -5.29 3.81 0.00 0.00 0.02 -1.26 -2.54 135.00 129.75 2a52 s PRO 165 Ca 0.58 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.96 2a52 s PRO 165 Cb -0.12 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.44 2a52 s PRO 165 CO 0.53 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 2a52 n GLY 166 N 4.57 1.37 0.00 0.52 0.00 -1.26 -4.87 105.19 105.52 2a52 n GLY 166 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2a52 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a52 n GLY 167 N 0.00 1.97 3.77 -0.02 0.00 -1.05 -5.07 105.19 104.79 2a52 n GLY 167 Ca 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 2a52 n GLY 167 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a52 s ARG 168 N 0.00 4.28 -0.12 1.61 3.52 -1.26 -4.71 118.95 122.27 2a52 s ARG 168 Ca 0.00 2.21 -0.06 0.00 -0.13 0.00 0.00 55.73 57.75 2a52 s ARG 168 Cb 0.00 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 2a52 s ARG 168 CO 0.00 -0.25 0.09 -1.01 -0.81 0.00 0.00 175.30 173.33 2a52 s HIS 169 N -1.17 3.43 -0.25 5.12 3.76 -1.26 -1.28 115.29 123.65 2a52 s HIS 169 Ca 0.50 0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 55.76 2a52 s HIS 169 Cb -0.39 -1.92 0.01 0.00 1.11 0.00 0.00 32.58 31.39 2a52 s HIS 169 CO 0.52 0.59 -0.03 -1.17 -0.85 0.00 0.00 174.74 173.81 2a52 s LEU 170 N -0.81 3.21 0.32 0.89 2.96 -0.35 -4.93 118.68 119.97 2a52 s LEU 170 Ca 0.13 -0.67 0.05 0.00 -0.22 0.00 0.00 54.13 53.43 2a52 s LEU 170 Cb -0.12 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2a52 s LEU 170 CO 0.03 -0.10 0.46 0.42 -1.32 0.00 0.00 176.35 175.84 2a52 s THR 171 N 1.42 4.54 0.13 3.68 -4.23 -1.26 -0.80 115.64 119.12 2a52 s THR 171 Ca 0.03 -0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.51 2a52 s THR 171 Cb -0.16 -3.60 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2a52 s THR 171 CO -0.03 -0.26 0.32 0.00 -0.54 0.00 0.00 174.62 174.11 2a52 s HIS 173 N -3.86 2.42 -0.19 0.00 2.46 -0.04 -1.50 115.29 114.57 2a52 s HIS 173 Ca 0.07 -1.31 -0.10 0.00 0.47 0.00 0.00 55.06 54.19 2a52 s HIS 173 Cb 0.03 -1.70 -0.05 0.00 -0.13 0.00 0.00 32.58 30.73 2a52 s HIS 173 CO -0.08 -0.66 0.13 -0.51 -2.47 0.00 0.00 174.74 171.15 2a52 s LEU 174 N 1.18 4.24 -0.23 8.88 1.43 -0.07 -0.80 118.68 133.31 2a52 s LEU 174 Ca 0.00 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 2a52 s LEU 174 Cb -0.14 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.02 2a52 s LEU 174 CO -0.08 0.21 -0.11 -1.00 0.23 0.00 0.00 176.35 175.61 2a52 s HIS 175 N 0.15 3.02 0.01 0.29 3.76 -0.41 -2.38 115.29 119.73 2a52 s HIS 175 Ca 0.09 -1.74 0.04 0.00 -0.15 0.00 0.00 55.06 53.31 2a52 s HIS 175 Cb -0.11 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 2a52 s HIS 175 CO -0.01 -0.78 -0.14 0.99 -0.85 0.00 0.00 174.74 173.95 2a52 s THR 176 N 1.27 1.07 -0.09 1.30 2.01 -0.28 -1.76 115.64 119.16 2a52 s THR 176 Ca -0.00 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.29 2a52 s THR 176 Cb -0.16 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 2a52 s THR 176 CO -0.07 0.18 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.97 2a52 s THR 177 N -0.52 2.63 -0.17 -0.82 2.01 -0.36 -0.60 115.64 117.81 2a52 s THR 177 Ca 0.04 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 2a52 s THR 177 Cb -0.06 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 2a52 s THR 177 CO 0.00 0.56 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.08 2a52 s TYR 178 N -0.01 2.88 -0.22 4.92 2.02 -0.16 -1.23 117.35 125.55 2a52 s TYR 178 Ca -0.06 -0.76 0.01 0.00 -0.37 0.00 0.00 57.07 55.89 2a52 s TYR 178 Cb -0.15 -1.95 0.05 0.00 -0.40 0.00 0.00 41.96 39.52 2a52 s TYR 178 CO 0.05 -0.34 -0.09 1.03 -1.57 0.00 0.00 175.55 174.63 2a52 s ARG 179 N 0.77 1.94 0.58 -0.62 0.52 0.02 -2.54 118.95 119.62 2a52 s ARG 179 Ca -0.04 -0.96 -0.19 0.00 -0.52 0.00 0.00 55.73 54.02 2a52 s ARG 179 Cb -0.15 -2.54 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 2a52 s ARG 179 CO 0.01 -0.50 1.19 0.45 0.02 0.00 0.00 175.30 176.47 2a52 s SER 180 N 1.35 5.32 0.00 0.23 0.15 -1.26 -0.77 113.70 118.72 2a52 s SER 180 Ca -0.04 2.33 0.27 0.00 0.70 0.00 0.00 55.95 59.21 2a52 s SER 180 Cb -0.18 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.46 2a52 s SER 180 CO -0.07 -1.50 1.67 0.29 1.20 0.00 0.00 173.24 174.83 2a52 n LYS 181 N -1.53 0.48 -3.14 5.44 5.02 -0.60 -4.83 118.16 118.99 2a52 n LYS 181 Ca 0.13 -0.22 -0.31 0.00 -2.02 0.00 0.00 58.31 55.89 2a52 n LYS 181 Cb 0.50 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 2a52 n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2a52 s LYS 182 N -2.67 3.83 0.43 1.97 1.02 -1.26 -4.98 119.74 118.08 2a52 s LYS 182 Ca 0.21 0.41 -0.24 0.00 0.02 0.00 0.00 55.97 56.38 2a52 s LYS 182 Cb 0.19 -2.50 -0.08 0.00 -0.52 0.00 0.00 37.83 34.92 2a52 s LYS 182 CO 0.55 0.14 1.15 -1.25 -0.92 0.00 0.00 175.35 175.02 2a52 s PRO 183 N -3.31 3.92 0.60 -1.68 0.04 -1.26 -4.91 135.00 128.40 2a52 s PRO 183 Ca 0.50 1.75 0.30 0.00 0.04 0.00 0.00 61.00 63.59 2a52 s PRO 183 Cb -0.11 -2.51 1.69 0.00 0.04 0.00 0.00 34.50 33.61 2a52 s PRO 183 CO 0.25 -0.41 2.09 0.00 0.04 0.00 0.00 177.00 178.96 2a52 h ALA 184 N 2.30 1.76 0.00 8.56 0.00 -1.95 -0.79 119.26 129.14 2a52 h ALA 184 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2a52 h ALA 184 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2a52 h ALA 184 CO 0.61 -0.32 0.00 0.66 0.00 0.00 0.00 179.25 180.21 2a52 h SER 185 N 0.00 0.00 -0.12 0.00 4.64 -1.97 -2.81 113.55 113.29 2a52 h SER 185 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2a52 h SER 185 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2a52 h SER 185 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2a52 n ALA 186 N -1.90 2.53 -2.37 5.18 0.00 -0.30 -4.94 120.51 118.71 2a52 n ALA 186 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 2a52 n ALA 186 Cb 0.36 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 2a52 n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a52 s LEU 187 N -1.72 2.26 -0.37 0.00 1.43 -1.06 -5.02 118.68 114.19 2a52 s LEU 187 Ca 0.34 -0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 52.70 2a52 s LEU 187 Cb 0.19 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 45.08 2a52 s LEU 187 CO 0.29 0.26 0.51 -0.75 0.23 0.00 0.00 176.35 176.89 2a52 s LYS 188 N -1.29 3.51 0.14 1.70 2.20 -1.26 -5.01 119.74 119.73 2a52 s LYS 188 Ca 0.12 -0.28 -0.27 0.00 -0.36 0.00 0.00 55.97 55.18 2a52 s LYS 188 Cb -0.10 -3.85 -0.07 0.00 -1.51 0.00 0.00 37.83 32.30 2a52 s LYS 188 CO 0.03 -0.71 0.85 -1.64 -0.36 0.00 0.00 175.35 173.52 2a52 s MET 189 N 2.40 4.65 0.53 4.03 -1.94 -1.26 -4.71 119.30 123.00 2a52 s MET 189 Ca 0.18 1.28 -0.18 0.00 -1.71 0.00 0.00 55.69 55.26 2a52 s MET 189 Cb -0.16 -3.32 -0.06 0.00 2.01 0.00 0.00 34.83 33.31 2a52 s MET 189 CO 0.14 0.41 1.05 -1.25 -0.01 0.00 0.00 175.02 175.36 2a52 s PRO 190 N -0.64 3.59 1.05 2.03 0.04 -1.26 -4.87 135.00 134.94 2a52 s PRO 190 Ca 0.40 1.30 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2a52 s PRO 190 Cb -0.23 -2.07 0.24 0.00 0.04 0.00 0.00 34.50 32.48 2a52 s PRO 190 CO 0.28 -0.60 1.28 0.20 0.04 0.00 0.00 177.00 178.20 2a52 s GLY 191 N -2.33 1.75 0.14 0.56 0.00 -1.26 -4.47 107.32 101.71 2a52 s GLY 191 Ca 0.66 -1.22 -0.34 0.00 0.00 0.00 0.00 44.72 43.82 2a52 s GLY 191 CO 0.27 -0.38 1.56 0.33 0.00 0.00 0.00 173.10 174.89 2a52 n PHE 192 N -4.11 2.17 -3.80 1.90 7.35 -1.26 -4.74 117.46 114.98 2a52 n PHE 192 Ca 0.16 0.31 -0.09 0.00 -0.76 0.00 0.00 57.45 57.06 2a52 n PHE 192 Cb 0.59 -2.52 0.02 0.00 0.35 0.00 0.00 39.48 37.92 2a52 n PHE 192 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 2a52 n HIS 193 N 3.45 -2.17 -4.53 -5.13 1.44 -0.61 -4.99 115.22 102.68 2a52 n HIS 193 Ca 0.17 -1.86 -0.30 0.00 -2.01 0.00 0.00 57.72 53.73 2a52 n HIS 193 Cb 0.27 0.83 -0.12 0.00 0.12 0.00 0.00 29.99 31.09 2a52 n HIS 193 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2a52 s PHE 194 N -2.56 2.52 -0.25 -1.40 0.40 0.12 -1.18 117.98 115.63 2a52 s PHE 194 Ca 0.17 -0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 2a52 s PHE 194 Cb -0.04 -1.40 0.06 0.00 0.51 0.00 0.00 43.02 42.15 2a52 s PHE 194 CO 0.13 0.30 -0.08 -1.21 0.70 0.00 0.00 175.22 175.06 2a52 s GLU 195 N -1.72 1.91 0.18 0.44 2.02 0.27 -0.86 118.70 120.93 2a52 s GLU 195 Ca 0.16 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.65 2a52 s GLU 195 Cb -0.10 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.29 2a52 s GLU 195 CO 0.07 -0.60 1.23 -0.51 0.02 0.00 0.00 175.26 175.47 2a52 s ASP 196 N 1.24 7.03 -0.07 -0.19 1.01 -0.01 -0.85 116.67 124.82 2a52 s ASP 196 Ca -0.07 2.27 0.02 0.00 0.71 0.00 0.00 52.55 55.48 2a52 s ASP 196 Cb -0.19 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.15 2a52 s ASP 196 CO -0.06 -0.43 -0.09 -1.00 0.21 0.00 0.00 175.17 173.80 2a52 s HIS 197 N 0.07 1.26 -0.31 4.23 3.76 0.11 -1.65 115.29 122.75 2a52 s HIS 197 Ca 0.54 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 55.01 2a52 s HIS 197 Cb -0.34 -0.98 0.08 0.00 1.11 0.00 0.00 32.58 32.46 2a52 s HIS 197 CO 0.37 -0.28 -0.00 0.50 -0.85 0.00 0.00 174.74 174.47 2a52 s ARG 198 N 0.88 1.98 -0.11 1.40 6.06 0.08 -1.49 118.95 127.75 2a52 s ARG 198 Ca -0.11 -1.57 0.01 0.00 -2.50 0.00 0.00 55.73 51.56 2a52 s ARG 198 Cb -0.15 -3.12 -0.01 0.00 0.06 0.00 0.00 34.95 31.73 2a52 s ARG 198 CO 0.01 -0.76 -0.16 0.96 -2.50 0.00 0.00 175.30 172.85 2a52 s ILE 199 N 1.06 2.79 -0.03 4.11 -0.00 -1.26 -1.39 121.20 126.48 2a52 s ILE 199 Ca 0.00 -0.76 -0.01 0.00 -0.00 0.00 0.00 60.65 59.88 2a52 s ILE 199 Cb -0.20 -2.14 0.02 0.00 -0.00 0.00 0.00 42.46 40.14 2a52 s ILE 199 CO -0.05 0.54 0.06 -1.61 -0.00 0.00 0.00 174.94 173.88 2a52 s GLU 200 N 0.25 0.03 -0.46 0.37 2.02 -0.31 -4.60 118.70 116.00 2a52 s GLU 200 Ca -0.11 0.17 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 2a52 s GLU 200 Cb -0.16 -0.10 0.03 0.00 0.10 0.00 0.00 34.13 34.00 2a52 s GLU 200 CO 0.06 -0.09 1.15 0.42 0.02 0.00 0.00 175.26 176.82 2a52 s ILE 201 N 0.58 4.21 -0.03 -1.63 -1.09 -1.26 -0.45 121.20 121.53 2a52 s ILE 201 Ca -0.05 1.24 0.14 0.00 -2.23 0.00 0.00 60.65 59.76 2a52 s ILE 201 Cb -0.06 -4.57 0.01 0.00 -1.58 0.00 0.00 42.46 36.26 2a52 s ILE 201 CO -0.02 -0.96 1.46 0.24 -1.23 0.00 0.00 174.94 174.43 2a52 h MET 202 N 9.24 0.00 -1.88 2.79 2.86 -1.46 -3.46 114.93 123.02 2a52 h MET 202 Ca -0.23 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.47 2a52 h MET 202 Cb 1.06 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.51 2a52 h MET 202 CO 1.12 0.59 0.04 -2.00 1.06 0.00 0.00 176.91 177.73 2a52 s GLU 203 N -3.03 0.61 -0.94 1.72 2.12 -1.16 -5.00 118.70 113.03 2a52 s GLU 203 Ca 0.03 1.18 -0.21 0.00 0.36 0.00 0.00 54.97 56.33 2a52 s GLU 203 Cb 0.09 0.33 0.09 0.00 0.26 0.00 0.00 34.13 34.90 2a52 s GLU 203 CO 0.75 -0.15 1.24 -2.00 -0.54 0.00 0.00 175.26 174.56 2a52 s GLU 204 N 1.96 3.55 0.08 4.30 2.12 -1.26 -1.57 118.70 127.87 2a52 s GLU 204 Ca -0.08 -1.42 -0.24 0.00 0.36 0.00 0.00 54.97 53.59 2a52 s GLU 204 Cb -0.07 -5.01 -0.16 0.00 0.26 0.00 0.00 34.13 29.16 2a52 s GLU 204 CO -0.19 -1.94 1.68 0.28 -0.54 0.00 0.00 175.26 174.54 2a52 h VAL 205 N 6.20 1.01 -3.44 3.70 2.07 -1.67 -3.43 116.25 120.69 2a52 h VAL 205 Ca 0.13 -0.14 -0.24 0.00 0.82 0.00 0.00 66.70 67.27 2a52 h VAL 205 Cb 1.02 1.10 -0.30 0.00 -1.52 0.00 0.00 31.29 31.59 2a52 h VAL 205 CO 1.23 0.03 -0.64 -0.70 0.02 0.00 0.00 177.57 177.51 2a52 s GLU 206 N -5.95 0.06 0.24 1.57 2.12 -0.98 -4.96 118.70 110.81 2a52 s GLU 206 Ca -0.14 0.22 -0.14 0.00 0.36 0.00 0.00 54.97 55.27 2a52 s GLU 206 Cb 0.05 -0.11 0.31 0.00 0.26 0.00 0.00 34.13 34.65 2a52 s GLU 206 CO 0.66 -0.10 1.53 1.17 -0.54 0.00 0.00 175.26 177.98 2a52 n LYS 207 N 3.72 -0.18 -1.25 4.30 4.81 -1.26 -1.47 118.16 126.83 2a52 n LYS 207 Ca -0.21 1.52 -0.00 0.00 -0.87 0.00 0.00 58.31 58.75 2a52 n LYS 207 Cb 0.54 -2.27 0.12 0.00 0.02 0.00 0.00 35.03 33.45 2a52 n LYS 207 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2a52 n GLY 208 N -1.52 4.17 0.00 3.14 0.00 -1.26 -4.82 105.19 104.90 2a52 n GLY 208 Ca 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2a52 n GLY 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a52 n LYS 209 N -0.64 0.14 -3.73 1.61 5.02 -0.54 -5.10 118.16 114.92 2a52 n LYS 209 Ca 0.20 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.36 2a52 n LYS 209 Cb 0.85 -0.62 -0.13 0.00 -0.02 0.00 0.00 35.03 35.12 2a52 n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a52 s TYR 211 N 1.26 0.27 -0.21 0.00 1.51 -1.26 -1.58 117.35 117.34 2a52 s TYR 211 Ca -0.09 -0.13 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 2a52 s TYR 211 Cb -0.10 -0.17 -0.03 0.00 -0.11 0.00 0.00 41.96 41.55 2a52 s TYR 211 CO -0.09 -0.03 0.04 0.15 -1.11 0.00 0.00 175.55 174.51 2a52 s LYS 212 N -0.32 3.73 -0.02 -0.62 1.02 -0.61 -4.96 119.74 117.96 2a52 s LYS 212 Ca -0.02 -0.46 0.06 0.00 0.02 0.00 0.00 55.97 55.58 2a52 s LYS 212 Cb -0.03 -3.18 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 2a52 s LYS 212 CO -0.00 0.04 -0.20 -1.14 -0.92 0.00 0.00 175.35 173.12 2a52 s GLN 213 N 0.97 1.66 0.06 1.68 0.74 -1.26 -1.08 119.66 122.43 2a52 s GLN 213 Ca 0.03 -0.73 0.08 0.00 0.05 0.00 0.00 55.36 54.79 2a52 s GLN 213 Cb -0.14 -1.60 -0.03 0.00 1.10 0.00 0.00 33.01 32.34 2a52 s GLN 213 CO 0.02 0.44 -0.19 -0.47 -0.55 0.00 0.00 175.29 174.54 2a52 s TYR 214 N -0.47 2.54 -0.02 1.67 5.04 0.40 -4.92 117.35 121.59 2a52 s TYR 214 Ca 0.08 -0.27 -0.02 0.00 -2.44 0.00 0.00 57.07 54.42 2a52 s TYR 214 Cb -0.08 -1.43 0.00 0.00 0.35 0.00 0.00 41.96 40.81 2a52 s TYR 214 CO -0.01 0.28 0.06 -2.00 -1.34 0.00 0.00 175.55 172.54 2a52 s GLU 215 N -1.60 0.09 0.02 4.97 2.12 -1.26 -1.16 118.70 121.89 2a52 s GLU 215 Ca 0.15 0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.59 2a52 s GLU 215 Cb -0.10 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 2a52 s GLU 215 CO 0.06 -0.01 -0.22 0.00 -0.54 0.00 0.00 175.26 174.55 2a52 s ALA 216 N -0.08 1.83 -0.09 6.30 0.00 -0.49 -4.99 121.76 124.25 2a52 s ALA 216 Ca -0.01 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.86 2a52 s ALA 216 Cb -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2a52 s ALA 216 CO 0.00 0.43 0.22 0.00 0.00 0.00 0.00 175.76 176.42 2a52 s ALA 217 N -0.67 -0.53 -0.07 0.00 0.00 -1.26 -0.74 121.76 118.49 2a52 s ALA 217 Ca 0.08 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.83 2a52 s ALA 217 Cb -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.57 2a52 s ALA 217 CO 0.01 -0.15 -0.08 0.08 0.00 0.00 0.00 175.76 175.62 2a52 s VAL 218 N 0.66 0.90 -0.26 0.00 1.01 -0.66 -1.48 120.40 120.58 2a52 s VAL 218 Ca -0.04 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2a52 s VAL 218 Cb -0.06 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2a52 s VAL 218 CO -0.04 0.32 0.37 -0.83 0.00 0.00 0.00 175.10 174.92 2a52 s GLY 219 N 1.09 1.91 0.30 4.51 0.00 0.52 -0.83 107.32 114.82 2a52 s GLY 219 Ca -0.07 -0.78 -0.10 0.00 0.00 0.00 0.00 44.72 43.77 2a52 s GLY 219 CO -0.01 0.94 0.53 1.09 0.00 0.00 0.00 173.10 175.64 2a52 s ARG 220 N 1.93 1.77 0.41 2.90 1.70 -0.04 -1.24 118.95 126.38 2a52 s ARG 220 Ca 0.15 -1.44 0.08 0.00 -0.47 0.00 0.00 55.73 54.05 2a52 s ARG 220 Cb -0.16 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.72 2a52 s ARG 220 CO 0.09 -0.75 0.55 0.71 -1.08 0.00 0.00 175.30 174.82 2a52 s TYR 221 N -3.46 2.84 -1.26 5.89 4.12 -1.26 -0.70 117.35 123.52 2a52 s TYR 221 Ca 0.24 -0.39 -0.19 0.00 0.02 0.00 0.00 57.07 56.75 2a52 s TYR 221 Cb -0.01 -2.33 0.02 0.00 -1.52 0.00 0.00 41.96 38.12 2a52 s TYR 221 CO 0.13 -0.36 1.85 0.00 0.02 0.00 0.00 175.55 177.19 2a52 h ASP 223 N 7.93 0.00 0.48 0.00 3.45 -1.98 -3.33 116.42 122.97 2a52 h ASP 223 Ca 0.41 -0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.76 2a52 h ASP 223 Cb 0.85 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.61 2a52 h ASP 223 CO 1.48 0.01 -0.39 0.00 -1.57 0.00 0.00 179.24 178.77 2a52 h ALA 224 N 2.13 1.25 -3.08 3.45 0.00 -2.06 -3.30 119.26 117.65 2a52 h ALA 224 Ca 0.00 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.94 2a52 h ALA 224 Cb 0.93 -0.06 -0.42 0.00 0.00 0.00 0.00 17.79 18.25 2a52 h ALA 224 CO 0.00 0.48 -0.61 0.00 0.00 0.00 0.00 179.25 179.12 2a52 s ALA 225 N -4.01 3.55 0.60 0.00 0.00 -1.25 -5.11 121.76 115.54 2a52 s ALA 225 Ca -0.02 -3.64 -0.18 0.00 0.00 0.00 0.00 51.96 48.11 2a52 s ALA 225 Cb 0.13 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2a52 s ALA 225 CO 0.71 -2.08 1.17 -2.14 0.00 0.00 0.00 175.76 173.42 2a52 s PRO 226 N -1.15 3.01 0.38 0.00 0.02 -1.25 -4.99 135.00 131.03 2a52 s PRO 226 Ca 0.24 1.68 -0.26 0.00 0.02 0.00 0.00 61.00 62.68 2a52 s PRO 226 Cb -0.08 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2a52 s PRO 226 CO -0.14 -1.14 1.24 0.45 -0.33 0.00 0.00 177.00 177.08 2a52 s SER 227 N -1.83 6.52 0.00 2.53 0.15 -1.26 -4.94 113.70 114.87 2a52 s SER 227 Ca 0.74 2.53 0.18 0.00 0.70 0.00 0.00 55.95 60.09 2a52 s SER 227 Cb -0.27 -2.63 0.58 0.00 -1.71 0.00 0.00 66.02 61.99 2a52 s SER 227 CO 0.33 -0.69 1.44 0.29 1.20 0.00 0.00 173.24 175.81 2a52 n LYS 228 N 0.29 1.85 0.00 5.44 4.76 -1.26 -4.04 118.16 125.20 2a52 n LYS 228 Ca 0.03 -1.29 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 2a52 n LYS 228 Cb 0.44 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 2a52 n LYS 228 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2a52 n LEU 229 N 0.52 1.07 -0.04 -0.35 4.77 -1.26 -5.01 117.00 116.69 2a52 n LEU 229 Ca 0.15 -1.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.06 2a52 n LEU 229 Cb 0.35 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2a52 n LEU 229 CO 0.12 0.27 -0.01 0.61 -1.33 0.00 0.00 177.39 177.05 2a52 n GLY 230 N -0.17 0.47 3.82 -0.72 0.00 -1.26 -5.05 105.19 102.29 2a52 n GLY 230 Ca 0.00 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2a52 n GLY 230 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a52 s HIS 231 N -1.99 3.26 -2.00 1.61 3.76 -1.26 -5.06 115.29 113.62 2a52 s HIS 231 Ca 0.00 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 2a52 s HIS 231 Cb 0.00 -2.89 0.01 0.00 1.11 0.00 0.00 32.58 30.81 2a52 s HIS 231 CO 0.00 -0.62 0.51 0.09 -0.85 0.00 0.00 174.74 173.87