#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 0.45 0.25 -1.46 4.76 -1.26 -2.48 118.16 118.43 2a52 n LYS 67 Ca 0.00 0.04 0.13 0.00 -2.87 0.00 0.00 58.31 55.61 2a52 n LYS 67 Cb 0.00 -1.50 0.65 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.44 -3.03 -0.18 2.02 -2.03 -3.37 112.91 106.76 2a52 h THR 68 Ca 0.00 -0.73 -0.77 0.00 0.77 0.00 0.00 66.41 65.68 2a52 h THR 68 Cb 0.18 1.51 -0.24 0.00 -1.74 0.00 0.00 68.15 67.86 2a52 h THR 68 CO 0.00 0.13 0.75 -0.36 0.37 0.00 0.00 175.52 176.42 2a52 s PHE 69 N -3.90 3.89 -0.03 3.16 0.40 -1.03 -4.86 117.98 115.60 2a52 s PHE 69 Ca -0.01 -2.35 -0.01 0.00 -0.60 0.00 0.00 56.93 53.96 2a52 s PHE 69 Cb 0.11 -4.03 0.03 0.00 0.51 0.00 0.00 43.02 39.64 2a52 s PHE 69 CO 0.59 -1.14 0.07 0.42 0.70 0.00 0.00 175.22 175.85 2a52 s ILE 70 N 0.11 -0.05 -0.42 0.64 1.01 -1.26 -4.43 121.20 116.80 2a52 s ILE 70 Ca 0.34 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.93 2a52 s ILE 70 Cb -0.07 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.29 2a52 s ILE 70 CO -0.05 0.07 0.80 -0.75 0.00 0.00 0.00 174.94 175.00 2a52 s LYS 71 N 0.93 3.54 -0.07 2.79 2.20 -0.75 -4.92 119.74 123.46 2a52 s LYS 71 Ca -0.07 0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 55.47 2a52 s LYS 71 Cb -0.10 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 2a52 s LYS 71 CO -0.03 -1.03 0.33 0.71 -0.36 0.00 0.00 175.35 174.97 2a52 s TYR 72 N 3.26 3.63 0.47 4.03 2.02 -1.26 -0.83 117.35 128.67 2a52 s TYR 72 Ca 0.31 0.80 0.04 0.00 -0.37 0.00 0.00 57.07 57.85 2a52 s TYR 72 Cb -0.12 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 2a52 s TYR 72 CO 0.21 0.56 0.02 0.14 -1.57 0.00 0.00 175.55 174.91 2a52 s VAL 73 N -0.65 1.51 0.00 0.71 -7.23 -0.59 -4.94 120.40 109.20 2a52 s VAL 73 Ca 0.20 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2a52 s VAL 73 Cb -0.15 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2a52 s VAL 73 CO 0.09 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.68 2a52 n SER 74 N -1.17 -1.08 0.00 4.85 7.64 -1.26 -2.76 113.62 119.83 2a52 n SER 74 Ca -0.13 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.87 2a52 n SER 74 Cb 0.67 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.61 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 0.00 -0.79 3.65 0.23 0.00 -1.26 -4.94 105.19 102.08 2a52 n GLY 75 Ca 0.00 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 4.06 0.48 -0.61 1.01 -1.11 -4.95 121.20 118.07 2a52 s ILE 76 Ca 0.37 1.27 -0.23 0.00 0.00 0.00 0.00 60.65 62.06 2a52 s ILE 76 Cb 0.17 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 2a52 s ILE 76 CO 0.29 -0.17 1.21 -2.65 0.00 0.00 0.00 174.94 173.62 2a52 n PRO 77 N 6.89 1.65 -3.54 2.79 -0.02 -1.26 -4.82 135.00 136.69 2a52 n PRO 77 Ca 0.15 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 2a52 n PRO 77 Cb 0.45 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.75 5.86 0.29 2.55 -1.08 -1.26 -4.57 116.67 117.70 2a52 s ASP 78 Ca 0.66 -2.44 0.02 0.00 -0.52 0.00 0.00 52.55 50.27 2a52 s ASP 78 Cb -0.48 -2.02 0.58 0.00 -1.46 0.00 0.00 42.92 39.54 2a52 s ASP 78 CO 0.54 -0.56 1.83 0.22 0.52 0.00 0.00 175.17 177.73 2a52 h TYR 79 N 7.81 1.14 0.01 -5.34 3.20 -1.93 -2.24 116.97 119.61 2a52 h TYR 79 Ca -0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 2a52 h TYR 79 Cb 1.02 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2a52 h TYR 79 CO 0.78 0.43 -0.00 0.74 -1.64 0.00 0.00 178.16 178.46 2a52 h PHE 80 N 0.97 -0.01 0.00 -3.82 -1.00 -1.92 -3.18 116.94 107.98 2a52 h PHE 80 Ca 0.51 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.29 2a52 h PHE 80 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2a52 h PHE 80 CO -0.00 0.61 0.00 1.63 -1.61 0.00 0.00 178.31 178.94 2a52 n LYS 81 N -4.79 0.09 0.01 1.51 5.02 -1.16 -1.61 118.16 117.22 2a52 n LYS 81 Ca -0.09 0.27 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 2a52 n LYS 81 Cb 0.31 -1.65 0.53 0.00 -0.02 0.00 0.00 35.03 34.20 2a52 n LYS 81 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2a52 n GLN 82 N -1.81 0.02 -0.13 1.97 6.02 -0.85 -4.25 117.38 118.35 2a52 n GLN 82 Ca 0.04 0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.15 2a52 n GLN 82 Cb 0.23 -1.52 0.30 0.00 1.02 0.00 0.00 30.24 30.27 2a52 n GLN 82 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2a52 n SER 83 N -1.56 2.31 -4.94 1.08 7.64 -0.63 -4.94 113.62 112.57 2a52 n SER 83 Ca 0.07 -1.84 -0.27 0.00 1.01 0.00 0.00 58.87 57.84 2a52 n SER 83 Cb 0.35 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 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 -1.65 3.49 -2.06 1.43 0.40 -1.26 -0.33 117.98 117.99 2a52 s PHE 84 Ca 0.34 0.22 0.30 0.00 -0.60 0.00 0.00 56.93 57.18 2a52 s PHE 84 Cb 0.19 -1.75 1.40 0.00 0.51 0.00 0.00 43.02 43.37 2a52 s PHE 84 CO 0.27 0.45 1.95 -0.35 0.70 0.00 0.00 175.22 178.24 2a52 n PRO 85 N -0.60 1.13 -0.06 0.24 -0.04 -1.26 -4.88 135.00 129.54 2a52 n PRO 85 Ca -0.06 -0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 62.88 2a52 n PRO 85 Cb 0.54 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 2a52 n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2a52 h GLU 86 N 0.98 0.30 0.00 0.54 3.07 -1.93 -3.36 114.58 114.18 2a52 h GLU 86 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 2a52 h GLU 86 Cb 0.28 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2a52 h GLU 86 CO 0.00 0.50 0.00 0.41 -1.40 0.00 0.00 179.01 178.52 2a52 n GLY 87 N -0.34 -1.07 3.71 -3.84 0.00 0.55 -4.54 105.19 99.65 2a52 n GLY 87 Ca -0.05 -1.98 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.02 0.28 1.61 -0.71 -0.90 -1.10 117.98 117.14 2a52 s PHE 88 Ca 0.00 -0.38 0.08 0.00 -1.04 0.00 0.00 56.93 55.59 2a52 s PHE 88 Cb 0.00 0.50 -0.06 0.00 -1.21 0.00 0.00 43.02 42.25 2a52 s PHE 88 CO 0.00 -1.10 -0.10 0.95 -1.34 0.00 0.00 175.22 173.63 2a52 s THR 89 N -3.94 1.94 0.05 -4.49 -4.23 0.14 -0.67 115.64 104.44 2a52 s THR 89 Ca 0.14 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2a52 s THR 89 Cb -0.03 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2a52 s THR 89 CO 0.05 -0.34 -0.05 -1.66 -0.54 0.00 0.00 174.62 172.08 2a52 s TRP 90 N -2.83 0.56 -0.02 3.99 1.48 -0.75 -1.17 118.94 120.21 2a52 s TRP 90 Ca 0.29 -0.65 0.02 0.00 -1.06 0.00 0.00 56.10 54.70 2a52 s TRP 90 Cb 0.01 -0.35 0.01 0.00 -1.16 0.00 0.00 33.47 31.98 2a52 s TRP 90 CO 0.13 -0.17 -0.06 -1.83 -4.06 0.00 0.00 176.95 170.96 2a52 s GLU 91 N -2.22 0.64 -0.11 3.25 -1.05 -0.44 -0.53 118.70 118.23 2a52 s GLU 91 Ca -0.06 -0.17 -0.13 0.00 -0.15 0.00 0.00 54.97 54.45 2a52 s GLU 91 Cb -0.05 -0.64 0.03 0.00 -0.44 0.00 0.00 34.13 33.04 2a52 s GLU 91 CO -0.02 0.05 0.35 0.50 0.95 0.00 0.00 175.26 177.08 2a52 s ARG 92 N 0.29 0.48 -0.10 -4.83 3.52 0.03 -0.81 118.95 117.53 2a52 s ARG 92 Ca -0.03 0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.93 2a52 s ARG 92 Cb -0.08 0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2a52 s ARG 92 CO -0.00 -0.08 -0.19 0.99 -0.81 0.00 0.00 175.30 175.21 2a52 s THR 93 N -0.16 1.69 -0.22 4.11 2.01 -0.71 -0.70 115.64 121.66 2a52 s THR 93 Ca -0.03 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 2a52 s THR 93 Cb -0.03 -1.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 2a52 s THR 93 CO 0.01 0.48 0.07 -0.89 -0.69 0.00 0.00 174.62 173.60 2a52 s THR 94 N 0.66 4.52 -0.20 -0.82 2.01 0.15 -1.30 115.64 120.65 2a52 s THR 94 Ca -0.13 -0.11 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 2a52 s THR 94 Cb -0.16 -3.08 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 2a52 s THR 94 CO 0.03 0.39 0.04 0.42 -0.69 0.00 0.00 174.62 174.81 2a52 s THR 95 N 1.09 4.34 0.05 -0.82 -4.23 -0.52 -0.84 115.64 114.71 2a52 s THR 95 Ca 0.04 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.26 2a52 s THR 95 Cb -0.14 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.67 2a52 s THR 95 CO 0.03 0.42 0.39 -0.31 -0.54 0.00 0.00 174.62 174.61 2a52 s TYR 96 N 0.89 3.62 0.53 3.99 1.51 0.25 -1.15 117.35 127.00 2a52 s TYR 96 Ca 0.03 0.83 0.34 0.00 -1.01 0.00 0.00 57.07 57.26 2a52 s TYR 96 Cb -0.14 -2.18 1.88 0.00 -0.11 0.00 0.00 41.96 41.41 2a52 s TYR 96 CO 0.02 0.56 2.22 1.05 -1.11 0.00 0.00 175.55 178.30 2a52 h GLU 97 N 4.04 0.00 -0.66 -0.62 4.11 -1.54 -1.42 114.58 118.49 2a52 h GLU 97 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2a52 h GLU 97 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2a52 h GLU 97 CO 0.65 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 2a52 n ASP 98 N -3.49 4.35 0.00 3.06 5.75 -1.26 -4.95 116.55 120.00 2a52 n ASP 98 Ca -0.02 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 2a52 n ASP 98 Cb 0.14 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 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 1.20 1.81 3.76 6.12 0.00 -0.53 -4.51 105.19 113.03 2a52 n GLY 99 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.22 2.74 -0.03 -0.02 0.00 -1.20 -4.57 107.32 102.02 2a52 s GLY 100 Ca 0.00 0.98 0.04 0.00 0.00 0.00 0.00 44.72 45.75 2a52 s GLY 100 CO 0.00 1.39 -0.15 -1.36 0.00 0.00 0.00 173.10 172.98 2a52 s PHE 101 N -1.60 1.48 -0.21 1.90 0.40 -0.13 -0.58 117.98 119.24 2a52 s PHE 101 Ca 0.73 -0.37 -0.02 0.00 -0.60 0.00 0.00 56.93 56.68 2a52 s PHE 101 Cb -0.29 -0.99 0.06 0.00 0.51 0.00 0.00 43.02 42.31 2a52 s PHE 101 CO 0.33 -0.10 0.02 -1.17 0.70 0.00 0.00 175.22 174.99 2a52 s LEU 102 N -0.08 1.55 -0.13 -0.37 1.98 -0.02 -1.05 118.68 120.56 2a52 s LEU 102 Ca -0.00 -0.94 -0.05 0.00 -2.89 0.00 0.00 54.13 50.26 2a52 s LEU 102 Cb -0.09 -0.75 -0.04 0.00 0.66 0.00 0.00 46.19 45.98 2a52 s LEU 102 CO 0.01 -0.29 0.04 -0.89 -1.89 0.00 0.00 176.35 173.32 2a52 s THR 103 N 1.74 4.60 -0.01 3.68 2.01 0.43 -0.68 115.64 127.41 2a52 s THR 103 Ca -0.02 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 2a52 s THR 103 Cb -0.18 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.33 2a52 s THR 103 CO -0.08 0.55 0.06 0.00 -0.69 0.00 0.00 174.62 174.46 2a52 s ALA 104 N -0.35 -0.15 -0.03 7.40 0.00 0.13 -0.67 121.76 128.09 2a52 s ALA 104 Ca 0.08 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.11 2a52 s ALA 104 Cb -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2a52 s ALA 104 CO 0.02 -0.08 -0.22 -1.58 0.00 0.00 0.00 175.76 173.89 2a52 s HIS 105 N -0.45 2.06 0.03 0.00 5.65 -0.43 -0.79 115.29 121.36 2a52 s HIS 105 Ca -0.05 -0.49 0.03 0.00 0.25 0.00 0.00 55.06 54.80 2a52 s HIS 105 Cb -0.03 -1.34 -0.02 0.00 -1.18 0.00 0.00 32.58 30.01 2a52 s HIS 105 CO 0.00 -0.11 -0.09 -1.14 -0.65 0.00 0.00 174.74 172.76 2a52 s GLN 106 N -0.33 0.60 -0.10 2.88 -0.44 0.31 -1.36 119.66 121.22 2a52 s GLN 106 Ca 0.03 -0.58 0.03 0.00 -2.50 0.00 0.00 55.36 52.35 2a52 s GLN 106 Cb -0.10 -0.50 -0.01 0.00 -1.64 0.00 0.00 33.01 30.76 2a52 s GLN 106 CO 0.01 0.12 -0.20 0.34 0.50 0.00 0.00 175.29 176.05 2a52 s ASP 107 N -1.00 3.42 -0.20 6.67 -1.08 -0.26 -1.81 116.67 122.40 2a52 s ASP 107 Ca -0.03 -0.47 -0.02 0.00 -0.52 0.00 0.00 52.55 51.51 2a52 s ASP 107 Cb -0.07 -1.39 -0.00 0.00 -1.46 0.00 0.00 42.92 40.00 2a52 s ASP 107 CO 0.00 0.18 -0.09 -0.89 0.52 0.00 0.00 175.17 174.89 2a52 s THR 108 N 0.24 2.98 0.29 1.71 2.01 0.15 -1.50 115.64 121.53 2a52 s THR 108 Ca -0.14 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.27 2a52 s THR 108 Cb -0.17 -2.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 2a52 s THR 108 CO 0.07 0.47 0.03 -0.94 -0.69 0.00 0.00 174.62 173.55 2a52 s SER 109 N 1.31 2.29 -0.21 3.53 1.04 -0.44 -2.12 113.70 119.10 2a52 s SER 109 Ca 0.04 -1.31 0.02 0.00 0.48 0.00 0.00 55.95 55.17 2a52 s SER 109 Cb -0.14 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 65.94 2a52 s SER 109 CO -0.05 -0.55 -0.16 -0.22 0.98 0.00 0.00 173.24 173.24 2a52 s LEU 110 N -3.44 2.60 -0.61 2.42 2.96 -1.26 -0.80 118.68 120.56 2a52 s LEU 110 Ca 0.34 -0.93 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 2a52 s LEU 110 Cb 0.07 -1.49 0.16 0.00 0.50 0.00 0.00 46.19 45.44 2a52 s LEU 110 CO 0.13 -0.08 0.45 -0.62 -1.32 0.00 0.00 176.35 174.92 2a52 s ASP 111 N 1.23 5.51 -0.20 3.68 3.68 0.22 -4.88 116.67 125.91 2a52 s ASP 111 Ca -0.00 -2.63 -0.18 0.00 2.13 0.00 0.00 52.55 51.86 2a52 s ASP 111 Cb -0.16 -1.92 0.03 0.00 -1.45 0.00 0.00 42.92 39.42 2a52 s ASP 111 CO -0.10 -0.46 0.30 0.61 0.13 0.00 0.00 175.17 175.66 2a52 n GLY 112 N 3.84 0.09 3.74 2.66 0.00 -1.26 -2.27 105.19 112.00 2a52 n GLY 112 Ca 0.06 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 0.58 0.00 -4.43 1.61 8.00 -1.26 -4.98 116.55 116.07 2a52 n ASP 113 Ca -0.04 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.12 2a52 n ASP 113 Cb 0.42 -0.08 -0.13 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.55 4.56 -0.10 0.00 1.43 -1.26 -0.61 118.68 123.26 2a52 s LEU 115 Ca -0.05 1.97 0.02 0.00 -1.03 0.00 0.00 54.13 55.05 2a52 s LEU 115 Cb -0.15 -3.71 0.01 0.00 0.03 0.00 0.00 46.19 42.38 2a52 s LEU 115 CO 0.03 0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 175.83 2a52 s VAL 116 N -1.28 1.42 -0.09 -1.59 1.01 0.02 -4.91 120.40 115.00 2a52 s VAL 116 Ca 0.44 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2a52 s VAL 116 Cb -0.25 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2a52 s VAL 116 CO 0.31 0.42 -0.15 -0.31 0.00 0.00 0.00 175.10 175.38 2a52 s TYR 117 N 0.87 2.71 -0.12 5.22 2.02 -1.26 -1.33 117.35 125.46 2a52 s TYR 117 Ca -0.10 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 2a52 s TYR 117 Cb -0.15 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2a52 s TYR 117 CO 0.01 -0.05 -0.14 0.15 -1.57 0.00 0.00 175.55 173.95 2a52 s LYS 118 N -0.17 2.17 -0.04 -0.62 1.02 -0.56 -4.98 119.74 116.57 2a52 s LYS 118 Ca -0.01 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.50 2a52 s LYS 118 Cb -0.13 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 2a52 s LYS 118 CO 0.03 -0.13 -0.17 0.08 -0.92 0.00 0.00 175.35 174.25 2a52 s VAL 119 N 1.18 1.40 -0.09 3.17 1.01 -1.26 -1.10 120.40 124.71 2a52 s VAL 119 Ca -0.02 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2a52 s VAL 119 Cb -0.14 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 2a52 s VAL 119 CO -0.05 0.40 -0.24 -0.54 0.00 0.00 0.00 175.10 174.68 2a52 s LYS 120 N -0.06 2.87 -0.03 2.72 1.02 -0.47 -5.01 119.74 120.79 2a52 s LYS 120 Ca -0.01 -0.88 0.04 0.00 0.02 0.00 0.00 55.97 55.14 2a52 s LYS 120 Cb -0.10 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 2a52 s LYS 120 CO 0.01 0.26 -0.15 0.42 -0.92 0.00 0.00 175.35 174.97 2a52 s ILE 121 N 0.14 1.25 -0.14 2.17 1.01 -1.26 -1.32 121.20 123.05 2a52 s ILE 121 Ca -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 2a52 s ILE 121 Cb -0.16 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.28 2a52 s ILE 121 CO 0.07 0.36 -0.01 -0.76 0.00 0.00 0.00 174.94 174.60 2a52 s LEU 122 N -0.13 1.16 0.09 2.97 1.43 0.16 -5.02 118.68 119.34 2a52 s LEU 122 Ca 0.01 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2a52 s LEU 122 Cb -0.09 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.42 2a52 s LEU 122 CO 0.01 -0.22 -0.24 -0.83 0.23 0.00 0.00 176.35 175.29 2a52 s GLY 123 N 1.80 1.39 0.17 -3.19 0.00 -1.26 -0.43 107.32 105.80 2a52 s GLY 123 Ca 0.02 -1.31 -0.22 0.00 0.00 0.00 0.00 44.72 43.21 2a52 s GLY 123 CO -0.07 -1.26 0.60 0.54 0.00 0.00 0.00 173.10 172.91 2a52 s ASN 124 N -1.69 -0.50 -0.75 1.64 2.20 -0.21 -4.97 114.94 110.64 2a52 s ASN 124 Ca 0.11 -0.11 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 2a52 s ASN 124 Cb -0.10 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 2a52 s ASN 124 CO 0.04 -1.01 0.00 0.59 -2.94 0.00 0.00 177.10 173.78 2a52 n ASN 125 N -0.38 -4.43 -4.72 3.54 3.02 -1.26 -0.96 115.26 110.06 2a52 n ASN 125 Ca -0.15 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 2a52 n ASN 125 Cb 0.64 -2.56 -0.03 0.00 -0.61 0.00 0.00 39.78 37.22 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 -2.07 3.29 0.24 3.10 0.08 -1.26 -3.23 117.98 118.13 2a52 s PHE 126 Ca 0.00 1.11 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 2a52 s PHE 126 Cb 0.00 -3.61 -0.10 0.00 -0.57 0.00 0.00 43.02 38.74 2a52 s PHE 126 CO 0.00 -2.01 1.51 -1.25 -0.10 0.00 0.00 175.22 173.37 2a52 s PRO 127 N 0.68 4.22 0.47 0.24 0.04 -1.26 -4.90 135.00 134.48 2a52 s PRO 127 Ca 0.61 2.39 0.15 0.00 0.04 0.00 0.00 61.00 64.19 2a52 s PRO 127 Cb -0.35 -3.09 1.08 0.00 0.04 0.00 0.00 34.50 32.18 2a52 s PRO 127 CO 0.33 -0.52 2.04 0.00 0.04 0.00 0.00 177.00 178.89 2a52 h ALA 128 N 5.35 1.77 -0.07 8.56 0.00 -1.97 -2.32 119.26 130.58 2a52 h ALA 128 Ca -0.46 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2a52 h ALA 128 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2a52 h ALA 128 CO 0.81 0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 2a52 n ASP 129 N -4.37 2.01 -4.94 0.00 3.85 -1.26 -4.19 116.55 107.66 2a52 n ASP 129 Ca -0.03 -1.69 -0.25 0.00 -0.71 0.00 0.00 54.79 52.12 2a52 n ASP 129 Cb 0.20 -0.04 0.05 0.00 -1.35 0.00 0.00 41.12 39.99 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 -1.89 1.69 0.45 6.12 0.00 -0.87 -4.89 107.32 107.93 2a52 s GLY 130 Ca 0.35 -0.96 0.12 0.00 0.00 0.00 0.00 44.72 44.22 2a52 s GLY 130 CO 0.31 -0.63 2.06 -2.55 0.00 0.00 0.00 173.10 172.29 2a52 h PRO 131 N -0.28 0.35 0.41 2.90 0.11 -1.87 -1.49 132.00 132.14 2a52 h PRO 131 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2a52 h PRO 131 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2a52 h PRO 131 CO 0.58 0.23 -0.20 0.28 -0.21 0.00 0.00 178.00 178.69 2a52 h VAL 132 N 0.36 0.47 0.00 3.15 2.07 -1.88 -0.03 116.25 120.39 2a52 h VAL 132 Ca 0.15 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 2a52 h VAL 132 Cb 0.14 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2a52 h VAL 132 CO -0.03 0.08 -0.38 0.24 0.02 0.00 0.00 177.57 177.50 2a52 h MET 133 N -0.92 0.00 0.00 1.57 2.86 -1.72 -2.20 114.93 114.52 2a52 h MET 133 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2a52 h MET 133 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2a52 h MET 133 CO 0.09 0.38 0.00 1.04 1.06 0.00 0.00 176.91 179.48 2a52 n GLN 134 N -3.50 0.02 -3.58 1.72 1.13 -0.57 -4.93 117.38 107.66 2a52 n GLN 134 Ca -0.00 0.09 -0.21 0.00 -1.94 0.00 0.00 57.00 54.94 2a52 n GLN 134 Cb 0.52 -1.53 0.07 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.56 -3.22 -2.89 1.08 4.05 -0.79 -4.94 115.26 107.00 2a52 n ASN 135 Ca 0.06 -0.66 -0.18 0.00 0.45 0.00 0.00 54.58 54.25 2a52 n ASN 135 Cb 0.30 -4.76 -0.01 0.00 1.23 0.00 0.00 39.78 36.54 2a52 n ASN 135 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2a52 n LYS 136 N -4.44 1.75 -3.73 1.20 5.02 -0.09 -5.05 118.16 112.82 2a52 n LYS 136 Ca -0.18 -3.75 -0.28 0.00 -2.02 0.00 0.00 58.31 52.07 2a52 n LYS 136 Cb 0.63 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 2a52 n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2a52 s ALA 137 N -2.98 3.85 0.00 7.82 0.00 -1.24 -4.37 121.76 124.85 2a52 s ALA 137 Ca 0.39 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2a52 s ALA 137 Cb 0.38 -1.99 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2a52 s ALA 137 CO -0.07 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2a52 n GLY 138 N -0.43 0.23 3.45 0.00 0.00 0.73 -4.95 105.19 104.23 2a52 n GLY 138 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 1.31 0.05 1.61 1.70 -0.99 -4.98 118.95 117.65 2a52 s ARG 139 Ca 0.00 -0.51 -0.26 0.00 -0.47 0.00 0.00 55.73 54.49 2a52 s ARG 139 Cb 0.00 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 2a52 s ARG 139 CO 0.00 -0.58 0.82 -1.58 -1.08 0.00 0.00 175.30 172.88 2a52 s TRP 140 N -3.76 3.74 0.79 5.89 0.52 -1.26 -0.62 118.94 124.24 2a52 s TRP 140 Ca 0.02 1.54 -0.11 0.00 0.02 0.00 0.00 56.10 57.57 2a52 s TRP 140 Cb -0.01 -2.89 0.07 0.00 -1.15 0.00 0.00 33.47 29.49 2a52 s TRP 140 CO -0.12 0.23 1.09 -1.21 0.02 0.00 0.00 176.95 176.96 2a52 s GLU 141 N 0.08 2.12 1.07 4.98 0.41 -0.70 -4.86 118.70 121.81 2a52 s GLU 141 Ca 0.41 0.79 -0.13 0.00 -0.41 0.00 0.00 54.97 55.63 2a52 s GLU 141 Cb -0.21 -1.91 0.23 0.00 -1.78 0.00 0.00 34.13 30.46 2a52 s GLU 141 CO 0.24 -1.63 1.07 -1.25 -0.49 0.00 0.00 175.26 173.19 2a52 s PRO 142 N -5.07 -0.16 0.18 0.39 0.04 -1.26 -4.71 135.00 124.42 2a52 s PRO 142 Ca 0.61 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 2a52 s PRO 142 Cb -0.15 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.76 2a52 s PRO 142 CO 0.55 -3.16 0.51 0.00 0.04 0.00 0.00 177.00 174.94 2a52 s ALA 143 N -2.76 -0.95 -0.18 8.56 0.00 -0.39 -4.82 121.76 121.21 2a52 s ALA 143 Ca 0.67 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 2a52 s ALA 143 Cb -0.21 0.84 0.05 0.00 0.00 0.00 0.00 23.12 23.79 2a52 s ALA 143 CO 0.60 -0.78 -0.03 0.99 0.00 0.00 0.00 175.76 176.54 2a52 s THR 144 N -3.86 1.07 0.04 0.00 2.01 -1.26 -0.41 115.64 113.24 2a52 s THR 144 Ca 0.08 -0.73 -0.22 0.00 0.31 0.00 0.00 61.69 61.13 2a52 s THR 144 Cb -0.01 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.12 2a52 s THR 144 CO -0.04 0.02 0.67 -0.70 -0.69 0.00 0.00 174.62 173.87 2a52 s GLU 145 N 1.63 4.39 0.03 4.92 2.12 0.55 -4.59 118.70 127.76 2a52 s GLU 145 Ca -0.01 0.89 -0.18 0.00 0.36 0.00 0.00 54.97 56.03 2a52 s GLU 145 Cb -0.16 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.84 2a52 s GLU 145 CO -0.07 0.41 0.53 0.96 -0.54 0.00 0.00 175.26 176.55 2a52 s ILE 146 N -0.41 4.86 -0.04 -3.70 -4.36 0.06 -0.65 121.20 116.96 2a52 s ILE 146 Ca 0.34 1.12 0.00 0.00 -0.26 0.00 0.00 60.65 61.85 2a52 s ILE 146 Cb -0.20 -3.86 0.03 0.00 1.25 0.00 0.00 42.46 39.68 2a52 s ILE 146 CO 0.20 0.52 -0.01 -0.69 0.24 0.00 0.00 174.94 175.21 2a52 s VAL 147 N -0.84 0.27 0.13 8.37 1.01 -0.34 -1.39 120.40 127.62 2a52 s VAL 147 Ca 0.28 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.08 2a52 s VAL 147 Cb -0.18 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 35.90 2a52 s VAL 147 CO 0.17 0.18 0.58 -0.72 0.00 0.00 0.00 175.10 175.30 2a52 s TYR 148 N 1.12 -0.50 0.11 5.22 1.13 -0.63 -1.60 117.35 122.19 2a52 s TYR 148 Ca -0.08 0.34 -0.30 0.00 -1.41 0.00 0.00 57.07 55.62 2a52 s TYR 148 Cb -0.14 0.50 -0.06 0.00 -1.10 0.00 0.00 41.96 41.17 2a52 s TYR 148 CO -0.02 -0.80 1.06 -2.00 -2.51 0.00 0.00 175.55 171.28 2a52 s GLU 149 N -3.50 4.59 -0.08 -3.49 2.12 -1.26 -0.36 118.70 116.71 2a52 s GLU 149 Ca 0.00 1.61 -0.05 0.00 0.36 0.00 0.00 54.97 56.89 2a52 s GLU 149 Cb -0.01 -3.35 0.04 0.00 0.26 0.00 0.00 34.13 31.07 2a52 s GLU 149 CO -0.11 0.03 0.20 0.08 -0.54 0.00 0.00 175.26 174.92 2a52 s VAL 150 N 0.27 -0.03 -1.44 3.70 1.01 -0.31 -4.88 120.40 118.72 2a52 s VAL 150 Ca 0.51 0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 2a52 s VAL 150 Cb -0.26 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 35.83 2a52 s VAL 150 CO 0.31 0.05 0.49 0.47 0.00 0.00 0.00 175.10 176.42 2a52 n ASP 151 N 3.86 -5.16 -0.34 3.32 8.00 -1.26 -1.34 116.55 123.63 2a52 n ASP 151 Ca -0.22 -0.27 -0.04 0.00 0.71 0.00 0.00 54.79 54.97 2a52 n ASP 151 Cb 0.54 -4.21 -0.02 0.00 -0.02 0.00 0.00 41.12 37.41 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 -1.33 0.57 0.86 0.44 0.00 -1.26 -4.97 105.19 99.50 2a52 n GLY 152 Ca -0.09 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.41 0.00 -4.46 1.61 0.24 -0.45 -4.81 118.33 108.05 2a52 n VAL 153 Ca -0.04 -0.61 -0.34 0.00 -2.04 0.00 0.00 64.34 61.31 2a52 n VAL 153 Cb 0.37 0.21 -0.11 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 3.33 -0.02 1.34 1.02 -0.84 -1.16 118.68 122.34 2a52 s LEU 154 Ca 0.05 -0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.20 2a52 s LEU 154 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2a52 s LEU 154 CO 0.03 0.29 -0.04 -0.60 0.02 0.00 0.00 176.35 176.05 2a52 s ARG 155 N -0.37 2.70 0.04 1.70 3.52 0.51 -0.07 118.95 126.99 2a52 s ARG 155 Ca 0.06 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 2a52 s ARG 155 Cb -0.12 -2.60 -0.02 0.00 -1.56 0.00 0.00 34.95 30.65 2a52 s ARG 155 CO 0.02 0.63 -0.13 0.20 -0.81 0.00 0.00 175.30 175.22 2a52 s GLY 156 N -1.25 0.74 -0.01 8.12 0.00 -0.39 -1.61 107.32 112.93 2a52 s GLY 156 Ca 0.16 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 44.10 2a52 s GLY 156 CO 0.06 -0.81 -0.10 1.20 0.00 0.00 0.00 173.10 173.45 2a52 s GLN 157 N -1.23 0.84 -0.09 2.90 -0.21 -0.49 -1.40 119.66 119.98 2a52 s GLN 157 Ca -0.00 -0.36 -0.12 0.00 0.02 0.00 0.00 55.36 54.89 2a52 s GLN 157 Cb -0.08 -0.81 0.03 0.00 1.00 0.00 0.00 33.01 33.15 2a52 s GLN 157 CO 0.01 0.21 0.33 0.54 -2.12 0.00 0.00 175.29 174.26 2a52 s VAL 158 N -0.22 0.02 -0.28 1.09 0.11 -1.02 -0.76 120.40 119.34 2a52 s VAL 158 Ca 0.04 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.79 2a52 s VAL 158 Cb -0.04 -0.51 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2a52 s VAL 158 CO -0.00 -0.08 0.40 -0.76 -3.33 0.00 0.00 175.10 171.32 2a52 s LEU 159 N -0.27 4.09 0.30 2.54 1.43 -1.26 -0.58 118.68 124.92 2a52 s LEU 159 Ca -0.04 0.26 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2a52 s LEU 159 Cb -0.03 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2a52 s LEU 159 CO 0.02 -0.22 0.19 -0.04 0.23 0.00 0.00 176.35 176.52 2a52 s MET 160 N 2.11 2.67 -0.09 1.70 -1.94 -0.29 -4.63 119.30 118.83 2a52 s MET 160 Ca 0.16 -1.27 -0.03 0.00 -1.71 0.00 0.00 55.69 52.83 2a52 s MET 160 Cb -0.16 -2.41 0.05 0.00 2.01 0.00 0.00 34.83 34.32 2a52 s MET 160 CO 0.10 0.25 0.12 0.00 -0.01 0.00 0.00 175.02 175.48 2a52 s ALA 161 N -2.27 0.06 -0.42 3.03 0.00 -1.26 -1.20 121.76 119.70 2a52 s ALA 161 Ca 0.36 0.27 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2a52 s ALA 161 Cb -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.25 2a52 s ALA 161 CO 0.24 -0.69 0.49 -1.17 0.00 0.00 0.00 175.76 174.63 2a52 s LEU 162 N 2.23 4.74 0.16 0.00 2.96 -0.02 -1.71 118.68 127.04 2a52 s LEU 162 Ca 0.04 -0.56 -0.33 0.00 -0.22 0.00 0.00 54.13 53.06 2a52 s LEU 162 Cb -0.13 -2.48 -0.13 0.00 0.50 0.00 0.00 46.19 43.95 2a52 s LEU 162 CO -0.06 -0.62 1.67 0.29 -1.32 0.00 0.00 176.35 176.31 2a52 n LYS 163 N 5.77 2.43 -4.18 1.98 4.76 0.21 -0.58 118.16 128.55 2a52 n LYS 163 Ca -0.06 0.88 -0.13 0.00 -2.87 0.00 0.00 58.31 56.13 2a52 n LYS 163 Cb 0.48 -2.69 -0.11 0.00 -1.84 0.00 0.00 35.03 30.87 2a52 n LYS 163 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a52 n PRO 165 N 0.37 0.29 -0.89 0.00 -0.02 -1.26 -2.29 135.00 131.20 2a52 n PRO 165 Ca -0.15 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2a52 n PRO 165 Cb 0.59 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2a52 n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2a52 n GLY 166 N 2.03 0.47 2.27 -1.23 0.00 -1.26 -3.73 105.19 103.74 2a52 n GLY 166 Ca 0.12 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.89 1.04 3.81 -0.02 0.00 -1.18 -5.01 105.19 100.94 2a52 n GLY 167 Ca 0.00 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.93 4.35 -0.18 1.61 3.52 -0.97 -4.96 118.95 119.40 2a52 s ARG 168 Ca 0.00 1.01 -0.01 0.00 -0.13 0.00 0.00 55.73 56.60 2a52 s ARG 168 Cb 0.00 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 2a52 s ARG 168 CO 0.00 0.35 -0.12 -1.01 -0.81 0.00 0.00 175.30 173.71 2a52 s HIS 169 N -1.57 2.85 -0.43 5.12 3.76 -1.26 -0.92 115.29 122.83 2a52 s HIS 169 Ca 0.46 -1.03 -0.15 0.00 -0.15 0.00 0.00 55.06 54.19 2a52 s HIS 169 Cb -0.17 -1.96 0.04 0.00 1.11 0.00 0.00 32.58 31.60 2a52 s HIS 169 CO 0.22 -0.50 0.33 -1.17 -0.85 0.00 0.00 174.74 172.76 2a52 s LEU 170 N 1.03 5.25 0.28 0.89 2.96 0.26 -4.90 118.68 124.44 2a52 s LEU 170 Ca -0.01 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 2a52 s LEU 170 Cb -0.15 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.33 2a52 s LEU 170 CO -0.02 -0.51 0.47 0.42 -1.32 0.00 0.00 176.35 175.38 2a52 s THR 171 N 1.68 5.16 0.15 3.68 -4.23 -1.26 -0.84 115.64 119.98 2a52 s THR 171 Ca 0.05 -0.48 -0.07 0.00 -1.18 0.00 0.00 61.69 60.01 2a52 s THR 171 Cb -0.20 -3.81 -0.02 0.00 1.34 0.00 0.00 72.50 69.81 2a52 s THR 171 CO 0.09 -0.38 0.23 0.00 -0.54 0.00 0.00 174.62 174.02 2a52 s HIS 173 N -3.98 1.74 -0.15 0.00 5.04 -0.30 -1.13 115.29 116.51 2a52 s HIS 173 Ca 0.18 -1.09 -0.16 0.00 -1.54 0.00 0.00 55.06 52.45 2a52 s HIS 173 Cb 0.04 -1.33 -0.04 0.00 0.04 0.00 0.00 32.58 31.29 2a52 s HIS 173 CO -0.00 -0.62 0.38 -0.51 -2.34 0.00 0.00 174.74 171.66 2a52 s LEU 174 N 1.62 4.25 -0.28 8.88 1.02 0.25 -1.44 118.68 132.98 2a52 s LEU 174 Ca 0.01 0.64 -0.01 0.00 0.02 0.00 0.00 54.13 54.79 2a52 s LEU 174 Cb -0.15 -2.53 0.04 0.00 0.02 0.00 0.00 46.19 43.58 2a52 s LEU 174 CO -0.08 0.03 -0.03 -1.00 0.02 0.00 0.00 176.35 175.30 2a52 s HIS 175 N 0.64 3.21 0.02 0.29 3.76 -0.42 -2.43 115.29 120.36 2a52 s HIS 175 Ca 0.21 -1.82 0.07 0.00 -0.15 0.00 0.00 55.06 53.36 2a52 s HIS 175 Cb -0.14 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.45 2a52 s HIS 175 CO 0.07 -0.79 -0.20 0.99 -0.85 0.00 0.00 174.74 173.96 2a52 s THR 176 N 1.26 1.59 -0.13 1.30 2.01 -0.49 -1.74 115.64 119.44 2a52 s THR 176 Ca -0.04 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.94 2a52 s THR 176 Cb -0.19 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.95 2a52 s THR 176 CO -0.02 0.30 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.15 2a52 s THR 177 N -0.65 2.66 -0.19 -0.82 2.01 0.01 -1.26 115.64 117.41 2a52 s THR 177 Ca 0.07 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2a52 s THR 177 Cb -0.08 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2a52 s THR 177 CO 0.01 0.53 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.15 2a52 s TYR 178 N 0.48 3.03 -0.22 4.92 2.02 0.90 -1.33 117.35 127.14 2a52 s TYR 178 Ca -0.12 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 2a52 s TYR 178 Cb -0.16 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.39 2a52 s TYR 178 CO 0.05 -0.21 -0.08 1.03 -1.57 0.00 0.00 175.55 174.77 2a52 s ARG 179 N 0.87 1.87 0.58 -0.62 0.52 -0.31 -1.98 118.95 119.87 2a52 s ARG 179 Ca 0.00 -0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 54.09 2a52 s ARG 179 Cb -0.14 -2.51 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 2a52 s ARG 179 CO 0.02 -0.51 1.21 0.45 0.02 0.00 0.00 175.30 176.50 2a52 s SER 180 N 1.38 5.28 0.00 0.23 0.15 -1.26 -0.68 113.70 118.80 2a52 s SER 180 Ca -0.04 2.41 0.28 0.00 0.70 0.00 0.00 55.95 59.30 2a52 s SER 180 Cb -0.18 -2.60 1.02 0.00 -1.71 0.00 0.00 66.02 62.56 2a52 s SER 180 CO -0.07 -1.53 1.75 0.29 1.20 0.00 0.00 173.24 174.88 2a52 n LYS 181 N -1.46 0.34 -2.76 5.44 5.02 -0.26 -4.84 118.16 119.65 2a52 n LYS 181 Ca 0.13 -0.12 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2a52 n LYS 181 Cb 0.49 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.74 3.90 0.55 1.97 1.02 -1.26 -4.98 119.74 118.18 2a52 s LYS 182 Ca 0.20 0.69 -0.21 0.00 0.02 0.00 0.00 55.97 56.68 2a52 s LYS 182 Cb 0.19 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 2a52 s LYS 182 CO 0.55 -0.07 1.24 -1.25 -0.92 0.00 0.00 175.35 174.90 2a52 s PRO 183 N -3.72 3.22 0.57 -1.68 0.04 -1.26 -4.91 135.00 127.26 2a52 s PRO 183 Ca 0.55 1.94 0.32 0.00 0.04 0.00 0.00 61.00 63.85 2a52 s PRO 183 Cb -0.10 -2.15 1.74 0.00 0.04 0.00 0.00 34.50 34.03 2a52 s PRO 183 CO 0.28 -1.04 2.18 0.00 0.04 0.00 0.00 177.00 178.45 2a52 h ALA 184 N 1.35 1.29 0.00 8.56 0.00 -1.95 -1.38 119.26 127.13 2a52 h ALA 184 Ca -0.50 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2a52 h ALA 184 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2a52 h ALA 184 CO 0.57 0.07 -0.16 0.66 0.00 0.00 0.00 179.25 180.38 2a52 h SER 185 N 0.00 0.00 -0.03 0.00 4.64 -1.96 -2.77 113.55 113.42 2a52 h SER 185 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2a52 h SER 185 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2a52 h SER 185 CO 0.01 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.13 2a52 n ALA 186 N -2.28 2.60 -2.40 5.18 0.00 -0.52 -4.92 120.51 118.18 2a52 n ALA 186 Ca -0.01 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.77 2a52 n ALA 186 Cb 0.30 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.90 2.39 -0.43 0.00 1.43 -1.05 -5.03 118.68 114.09 2a52 s LEU 187 Ca 0.39 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.83 2a52 s LEU 187 Cb 0.20 -1.41 0.03 0.00 0.03 0.00 0.00 46.19 45.03 2a52 s LEU 187 CO 0.32 0.27 0.51 -0.75 0.23 0.00 0.00 176.35 176.93 2a52 s LYS 188 N -1.22 3.15 0.15 1.70 2.20 -1.26 -5.01 119.74 119.44 2a52 s LYS 188 Ca 0.13 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 2a52 s LYS 188 Cb -0.10 -3.97 -0.07 0.00 -1.51 0.00 0.00 37.83 32.17 2a52 s LYS 188 CO 0.03 -0.93 0.90 -1.64 -0.36 0.00 0.00 175.35 173.35 2a52 s MET 189 N 2.36 4.70 0.53 4.03 -1.94 -1.26 -4.68 119.30 123.04 2a52 s MET 189 Ca 0.15 1.36 -0.18 0.00 -1.71 0.00 0.00 55.69 55.31 2a52 s MET 189 Cb -0.16 -3.33 -0.07 0.00 2.01 0.00 0.00 34.83 33.28 2a52 s MET 189 CO 0.15 0.37 1.03 -1.25 -0.01 0.00 0.00 175.02 175.31 2a52 s PRO 190 N -0.54 3.64 1.05 2.03 0.04 -1.26 -4.89 135.00 135.08 2a52 s PRO 190 Ca 0.42 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 2a52 s PRO 190 Cb -0.24 -2.08 0.22 0.00 0.04 0.00 0.00 34.50 32.44 2a52 s PRO 190 CO 0.29 -0.55 1.15 0.20 0.04 0.00 0.00 177.00 178.13 2a52 s GLY 191 N -2.47 1.61 0.16 0.56 0.00 -1.26 -4.47 107.32 101.45 2a52 s GLY 191 Ca 0.64 -0.77 -0.34 0.00 0.00 0.00 0.00 44.72 44.25 2a52 s GLY 191 CO 0.28 -0.04 1.48 0.33 0.00 0.00 0.00 173.10 175.16 2a52 n PHE 192 N -4.25 2.07 -3.57 1.90 7.35 -1.26 -4.74 117.46 114.96 2a52 n PHE 192 Ca 0.10 0.38 -0.06 0.00 -0.76 0.00 0.00 57.45 57.11 2a52 n PHE 192 Cb 0.59 -2.48 0.02 0.00 0.35 0.00 0.00 39.48 37.96 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 2.88 -1.84 -4.82 -5.13 1.44 -0.63 -5.00 115.22 102.12 2a52 n HIS 193 Ca 0.16 -1.29 -0.30 0.00 -2.01 0.00 0.00 57.72 54.27 2a52 n HIS 193 Cb 0.27 0.60 -0.14 0.00 0.12 0.00 0.00 29.99 30.84 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 -4.30 2.40 -0.24 -1.40 0.40 -0.41 -1.20 117.98 113.23 2a52 s PHE 194 Ca 0.12 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.10 2a52 s PHE 194 Cb -0.03 -1.42 0.04 0.00 0.51 0.00 0.00 43.02 42.13 2a52 s PHE 194 CO 0.09 0.17 -0.12 -1.21 0.70 0.00 0.00 175.22 174.84 2a52 s GLU 195 N -1.30 2.52 0.11 0.44 2.02 0.18 -1.06 118.70 121.60 2a52 s GLU 195 Ca 0.13 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.65 2a52 s GLU 195 Cb -0.10 -2.83 -0.06 0.00 0.10 0.00 0.00 34.13 31.24 2a52 s GLU 195 CO 0.03 -0.45 1.03 -0.51 0.02 0.00 0.00 175.26 175.37 2a52 s ASP 196 N 1.19 7.37 -0.07 -0.19 1.01 0.03 -0.33 116.67 125.68 2a52 s ASP 196 Ca -0.04 1.88 0.01 0.00 0.71 0.00 0.00 52.55 55.11 2a52 s ASP 196 Cb -0.18 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.19 2a52 s ASP 196 CO -0.07 -0.18 -0.06 -1.00 0.21 0.00 0.00 175.17 174.07 2a52 s HIS 197 N 0.20 1.05 -0.22 4.23 3.76 0.45 -1.51 115.29 123.25 2a52 s HIS 197 Ca 0.50 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 55.02 2a52 s HIS 197 Cb -0.25 -0.89 0.02 0.00 1.11 0.00 0.00 32.58 32.57 2a52 s HIS 197 CO 0.31 -0.29 -0.12 0.50 -0.85 0.00 0.00 174.74 174.29 2a52 s ARG 198 N 1.14 2.92 -0.12 1.40 3.52 -0.23 -1.26 118.95 126.32 2a52 s ARG 198 Ca -0.07 -0.90 0.01 0.00 -0.13 0.00 0.00 55.73 54.64 2a52 s ARG 198 Cb -0.14 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.42 2a52 s ARG 198 CO -0.01 -0.31 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.50 2a52 s ILE 199 N 1.31 2.71 -0.03 4.11 2.07 -1.26 -1.60 121.20 128.52 2a52 s ILE 199 Ca 0.02 -0.78 0.01 0.00 -1.41 0.00 0.00 60.65 58.48 2a52 s ILE 199 Cb -0.15 -2.11 0.03 0.00 0.13 0.00 0.00 42.46 40.35 2a52 s ILE 199 CO -0.08 0.54 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.87 2a52 s GLU 200 N 0.34 0.44 -0.46 3.50 2.02 -0.22 -4.64 118.70 119.68 2a52 s GLU 200 Ca -0.14 0.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.60 2a52 s GLU 200 Cb -0.17 -0.58 0.02 0.00 0.10 0.00 0.00 34.13 33.50 2a52 s GLU 200 CO 0.07 -0.12 1.26 0.42 0.02 0.00 0.00 175.26 176.91 2a52 s ILE 201 N 1.01 4.06 0.07 -1.63 1.09 -1.26 -0.89 121.20 123.65 2a52 s ILE 201 Ca -0.10 1.07 0.09 0.00 -1.10 0.00 0.00 60.65 60.61 2a52 s ILE 201 Cb -0.14 -4.44 -0.12 0.00 -1.06 0.00 0.00 42.46 36.70 2a52 s ILE 201 CO -0.01 -0.93 1.36 0.24 -0.10 0.00 0.00 174.94 175.50 2a52 h MET 202 N 9.92 0.00 -1.93 2.79 2.86 -1.19 -3.46 114.93 123.91 2a52 h MET 202 Ca -0.25 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2a52 h MET 202 Cb 1.08 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.52 2a52 h MET 202 CO 1.12 0.84 0.09 -2.00 1.06 0.00 0.00 176.91 178.02 2a52 s GLU 203 N -2.86 0.68 -0.83 1.72 2.12 -1.17 -4.98 118.70 113.37 2a52 s GLU 203 Ca 0.01 1.11 -0.19 0.00 0.36 0.00 0.00 54.97 56.27 2a52 s GLU 203 Cb 0.10 0.17 0.13 0.00 0.26 0.00 0.00 34.13 34.78 2a52 s GLU 203 CO 0.79 -0.13 1.00 -2.00 -0.54 0.00 0.00 175.26 174.39 2a52 s GLU 204 N 1.41 3.44 0.14 4.30 2.12 -1.26 -1.59 118.70 127.27 2a52 s GLU 204 Ca -0.08 -1.62 -0.11 0.00 0.36 0.00 0.00 54.97 53.51 2a52 s GLU 204 Cb -0.05 -4.66 -0.03 0.00 0.26 0.00 0.00 34.13 29.65 2a52 s GLU 204 CO -0.16 -1.70 1.50 0.28 -0.54 0.00 0.00 175.26 174.64 2a52 h VAL 205 N 5.76 1.27 -3.09 3.70 2.07 -1.44 -3.43 116.25 121.10 2a52 h VAL 205 Ca 0.01 -1.44 -0.23 0.00 0.82 0.00 0.00 66.70 65.86 2a52 h VAL 205 Cb 1.04 1.29 -0.32 0.00 -1.52 0.00 0.00 31.29 31.79 2a52 h VAL 205 CO 1.08 0.49 -0.55 -0.70 0.02 0.00 0.00 177.57 177.90 2a52 s GLU 206 N -4.54 0.13 0.13 1.57 2.12 -0.81 -4.94 118.70 112.36 2a52 s GLU 206 Ca -0.12 0.51 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 2a52 s GLU 206 Cb 0.11 -0.15 0.12 0.00 0.26 0.00 0.00 34.13 34.47 2a52 s GLU 206 CO 0.86 -0.20 0.89 1.17 -0.54 0.00 0.00 175.26 177.44 2a52 n LYS 207 N 4.55 -0.15 -2.80 4.30 4.81 -1.26 -1.21 118.16 126.40 2a52 n LYS 207 Ca -0.20 0.88 -0.02 0.00 -0.87 0.00 0.00 58.31 58.10 2a52 n LYS 207 Cb 0.52 -1.31 0.05 0.00 0.02 0.00 0.00 35.03 34.31 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 -1.26 1.73 0.00 3.14 0.00 -1.26 -4.86 105.19 102.68 2a52 n GLY 208 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.50 4.25 -3.68 1.61 5.02 -0.35 -5.11 118.16 119.40 2a52 n LYS 209 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 2a52 n LYS 209 Cb 0.80 -0.42 -0.10 0.00 -0.02 0.00 0.00 35.03 35.30 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 1.55 0.53 -0.09 0.00 1.51 -1.26 -1.01 117.35 118.57 2a52 s TYR 211 Ca -0.09 -0.57 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 2a52 s TYR 211 Cb -0.08 -0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 41.42 2a52 s TYR 211 CO -0.14 -0.14 -0.15 0.15 -1.11 0.00 0.00 175.55 174.16 2a52 s LYS 212 N -1.80 2.99 -0.01 -0.62 1.02 -0.62 -4.95 119.74 115.76 2a52 s LYS 212 Ca -0.10 -0.72 0.02 0.00 0.02 0.00 0.00 55.97 55.19 2a52 s LYS 212 Cb -0.08 -2.48 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2a52 s LYS 212 CO -0.01 0.36 -0.08 -1.14 -0.92 0.00 0.00 175.35 173.57 2a52 s GLN 213 N -0.06 0.64 0.12 1.68 0.74 -1.26 -0.58 119.66 120.95 2a52 s GLN 213 Ca -0.03 -0.29 0.10 0.00 0.05 0.00 0.00 55.36 55.19 2a52 s GLN 213 Cb -0.14 -0.62 -0.04 0.00 1.10 0.00 0.00 33.01 33.31 2a52 s GLN 213 CO 0.04 0.17 -0.23 -0.47 -0.55 0.00 0.00 175.29 174.24 2a52 s TYR 214 N -0.20 2.40 -0.08 1.67 5.04 -0.07 -4.91 117.35 121.20 2a52 s TYR 214 Ca 0.03 -0.33 -0.07 0.00 -2.44 0.00 0.00 57.07 54.26 2a52 s TYR 214 Cb -0.03 -1.29 0.02 0.00 0.35 0.00 0.00 41.96 41.02 2a52 s TYR 214 CO -0.00 0.36 0.21 -2.00 -1.34 0.00 0.00 175.55 172.77 2a52 s GLU 215 N -2.09 0.23 -0.02 4.97 2.12 -1.26 -1.05 118.70 121.59 2a52 s GLU 215 Ca 0.16 0.32 0.07 0.00 0.36 0.00 0.00 54.97 55.88 2a52 s GLU 215 Cb -0.10 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.34 2a52 s GLU 215 CO 0.08 -0.05 -0.25 0.00 -0.54 0.00 0.00 175.26 174.50 2a52 s ALA 216 N 0.31 2.05 -0.00 6.30 0.00 -0.63 -4.99 121.76 124.80 2a52 s ALA 216 Ca -0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 2a52 s ALA 216 Cb -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 2a52 s ALA 216 CO -0.01 0.49 0.05 0.00 0.00 0.00 0.00 175.76 176.29 2a52 s ALA 217 N -0.53 -0.10 -0.03 0.00 0.00 -1.26 -1.07 121.76 118.77 2a52 s ALA 217 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 2a52 s ALA 217 Cb -0.10 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2a52 s ALA 217 CO -0.00 -0.11 0.01 0.08 0.00 0.00 0.00 175.76 175.73 2a52 s VAL 218 N -0.78 0.13 -0.22 0.00 1.01 -0.57 -1.81 120.40 118.15 2a52 s VAL 218 Ca -0.09 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2a52 s VAL 218 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2a52 s VAL 218 CO 0.00 0.15 0.27 -0.83 0.00 0.00 0.00 175.10 174.70 2a52 s GLY 219 N 1.28 2.03 0.26 4.51 0.00 -0.01 -0.79 107.32 114.60 2a52 s GLY 219 Ca -0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.76 2a52 s GLY 219 CO -0.02 0.61 0.60 1.09 0.00 0.00 0.00 173.10 175.37 2a52 s ARG 220 N 1.22 1.67 0.57 2.90 1.70 -0.23 -1.55 118.95 125.24 2a52 s ARG 220 Ca 0.13 -1.13 0.07 0.00 -0.47 0.00 0.00 55.73 54.33 2a52 s ARG 220 Cb -0.14 0.54 0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2a52 s ARG 220 CO 0.06 -0.73 0.79 0.71 -1.08 0.00 0.00 175.30 175.05 2a52 s TYR 221 N -3.95 1.73 -1.13 5.89 4.12 -1.26 -1.29 117.35 121.46 2a52 s TYR 221 Ca 0.17 -0.56 -0.19 0.00 0.02 0.00 0.00 57.07 56.51 2a52 s TYR 221 Cb -0.03 -2.40 0.10 0.00 -1.52 0.00 0.00 41.96 38.10 2a52 s TYR 221 CO 0.08 -1.12 1.47 0.00 0.02 0.00 0.00 175.55 176.00 2a52 h ASP 223 N 8.35 0.28 0.51 0.00 3.04 -1.98 -3.31 116.42 123.31 2a52 h ASP 223 Ca 0.29 -0.23 -0.05 0.00 -3.24 0.00 0.00 57.03 53.80 2a52 h ASP 223 Cb 0.94 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.14 2a52 h ASP 223 CO 1.34 1.05 -0.24 0.00 -2.04 0.00 0.00 179.24 179.35 2a52 h ALA 224 N 0.93 1.24 -3.02 4.15 0.00 -2.06 -3.36 119.26 117.15 2a52 h ALA 224 Ca -0.05 -0.21 -0.61 0.00 0.00 0.00 0.00 54.91 54.04 2a52 h ALA 224 Cb 1.55 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.91 2a52 h ALA 224 CO 0.14 0.30 -0.75 0.00 0.00 0.00 0.00 179.25 178.94 2a52 s ALA 225 N -4.04 1.98 0.57 0.00 0.00 -1.25 -5.12 121.76 113.90 2a52 s ALA 225 Ca -0.02 -2.37 -0.15 0.00 0.00 0.00 0.00 51.96 49.42 2a52 s ALA 225 Cb 0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.37 2a52 s ALA 225 CO 0.65 -1.98 1.03 -1.25 0.00 0.00 0.00 175.76 174.20 2a52 s PRO 226 N 0.66 3.56 0.48 0.00 0.04 -1.26 -4.92 135.00 133.57 2a52 s PRO 226 Ca 0.16 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.05 2a52 s PRO 226 Cb -0.23 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 2a52 s PRO 226 CO -0.05 -0.60 1.07 0.45 0.04 0.00 0.00 177.00 177.92 2a52 s SER 227 N -3.04 6.27 -0.03 6.66 0.15 -1.26 -4.97 113.70 117.47 2a52 s SER 227 Ca 0.61 2.04 0.16 0.00 0.70 0.00 0.00 55.95 59.45 2a52 s SER 227 Cb -0.13 -2.57 0.48 0.00 -1.71 0.00 0.00 66.02 62.09 2a52 s SER 227 CO 0.37 -0.84 1.40 0.29 1.20 0.00 0.00 173.24 175.66 2a52 n LYS 228 N -0.84 2.94 0.00 5.44 5.02 -1.26 -4.54 118.16 124.93 2a52 n LYS 228 Ca 0.09 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 2a52 n LYS 228 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2a52 n LYS 228 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2a52 n LEU 229 N 0.88 1.22 0.00 -0.35 4.77 -1.26 -5.01 117.00 117.25 2a52 n LEU 229 Ca 0.18 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2a52 n LEU 229 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2a52 n LEU 229 CO 0.13 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 2a52 n GLY 230 N -0.29 0.62 3.87 -0.72 0.00 -1.26 -5.05 105.19 102.36 2a52 n GLY 230 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 3.57 -2.00 1.61 3.76 -1.26 -5.10 115.29 113.86 2a52 s HIS 231 Ca 0.00 1.18 0.13 0.00 -0.15 0.00 0.00 55.06 56.22 2a52 s HIS 231 Cb 0.00 -2.60 0.81 0.00 1.11 0.00 0.00 32.58 31.89 2a52 s HIS 231 CO 0.00 -0.48 1.23 0.09 -0.85 0.00 0.00 174.74 174.73