#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h53 s ARG 45 N 0.00 4.13 0.07 0.00 1.81 -1.26 -4.76 118.95 118.93 2h53 s ARG 45 Ca 0.00 2.60 0.05 0.00 -1.72 0.00 0.00 55.73 56.66 2h53 s ARG 45 Cb 0.00 -3.15 -0.03 0.00 -0.45 0.00 0.00 34.95 31.32 2h53 s ARG 45 CO 0.00 -0.76 -0.13 -1.64 -0.68 0.00 0.00 175.30 172.08 2h53 s MET 46 N 1.41 0.78 0.13 3.54 -1.94 -1.26 -1.73 119.30 120.24 2h53 s MET 46 Ca 0.76 -0.92 0.10 0.00 -1.71 0.00 0.00 55.69 53.92 2h53 s MET 46 Cb -0.49 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 35.55 2h53 s MET 46 CO 0.33 0.17 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.79 2h53 s ASP 47 N -1.68 3.70 -0.16 3.03 1.01 -0.28 -4.94 116.67 117.35 2h53 s ASP 47 Ca -0.03 -0.65 -0.03 0.00 0.71 0.00 0.00 52.55 52.56 2h53 s ASP 47 Cb -0.10 -0.43 0.05 0.00 1.01 0.00 0.00 42.92 43.45 2h53 s ASP 47 CO 0.02 0.17 0.03 0.86 0.21 0.00 0.00 175.17 176.46 2h53 s TRP 48 N -1.20 0.84 -0.00 4.23 -0.11 -1.26 -1.20 118.94 120.24 2h53 s TRP 48 Ca 0.17 -0.62 0.06 0.00 1.22 0.00 0.00 56.10 56.93 2h53 s TRP 48 Cb -0.10 -0.93 -0.03 0.00 -1.50 0.00 0.00 33.47 30.91 2h53 s TRP 48 CO 0.09 -0.53 -0.17 0.21 -4.62 0.00 0.00 176.95 171.93 2h53 s LYS 49 N 1.92 2.25 -0.44 5.86 2.20 0.18 -4.97 119.74 126.74 2h53 s LYS 49 Ca 0.01 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 2h53 s LYS 49 Cb -0.16 -2.25 0.12 0.00 -1.51 0.00 0.00 37.83 34.03 2h53 s LYS 49 CO -0.07 0.58 0.18 -2.00 -0.36 0.00 0.00 175.35 173.67 2h53 s GLU 50 N -1.07 1.81 0.66 4.03 2.12 -1.26 0.01 118.70 125.00 2h53 s GLU 50 Ca 0.13 -2.21 -0.09 0.00 0.36 0.00 0.00 54.97 53.15 2h53 s GLU 50 Cb -0.10 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.97 2h53 s GLU 50 CO 0.03 -1.04 1.02 0.95 -0.54 0.00 0.00 175.26 175.68 2h53 s THR 51 N 0.39 3.53 0.49 -1.70 -4.23 -0.52 -4.94 115.64 108.65 2h53 s THR 51 Ca 0.14 0.28 0.16 0.00 -1.18 0.00 0.00 61.69 61.08 2h53 s THR 51 Cb -0.22 -3.46 0.30 0.00 1.34 0.00 0.00 72.50 70.46 2h53 s THR 51 CO -0.04 -0.55 2.08 -0.65 -0.54 0.00 0.00 174.62 174.92 2h53 h PRO 52 N -0.47 0.16 0.04 3.99 0.11 -2.04 -2.93 132.00 130.87 2h53 h PRO 52 Ca -0.45 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 2h53 h PRO 52 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2h53 h PRO 52 CO 0.63 0.10 -1.13 0.93 -0.21 0.00 0.00 178.00 178.32 2h53 h GLU 53 N 0.16 0.09 -2.31 1.05 3.07 -1.96 -3.46 114.58 111.23 2h53 h GLU 53 Ca 0.12 -0.16 0.19 0.00 -0.50 0.00 0.00 59.36 59.01 2h53 h GLU 53 Cb 0.27 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.17 2h53 h GLU 53 CO -0.02 1.05 0.56 0.00 -1.40 0.00 0.00 179.01 179.20 2h53 s ALA 54 N -2.68 -1.70 -0.22 3.43 0.00 -1.11 -2.17 121.76 117.31 2h53 s ALA 54 Ca -0.01 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.85 2h53 s ALA 54 Cb 0.09 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2h53 s ALA 54 CO 0.84 -1.05 0.26 -1.01 0.00 0.00 0.00 175.76 174.80 2h53 s HIS 55 N -2.81 3.34 -0.19 0.00 3.76 0.18 -1.44 115.29 118.14 2h53 s HIS 55 Ca 0.16 0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 55.45 2h53 s HIS 55 Cb -0.01 -2.37 0.01 0.00 1.11 0.00 0.00 32.58 31.31 2h53 s HIS 55 CO 0.03 0.04 -0.14 0.08 -0.85 0.00 0.00 174.74 173.89 2h53 s VAL 56 N 1.15 2.55 -0.06 -0.90 1.01 0.10 -0.25 120.40 123.99 2h53 s VAL 56 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2h53 s VAL 56 Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2h53 s VAL 56 CO 0.06 0.50 -0.03 -0.36 0.00 0.00 0.00 175.10 175.26 2h53 s PHE 57 N 1.29 3.04 0.01 5.22 0.40 -0.22 -0.65 117.98 127.07 2h53 s PHE 57 Ca 0.04 0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.53 2h53 s PHE 57 Cb -0.14 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2h53 s PHE 57 CO -0.08 0.40 -0.20 0.15 0.70 0.00 0.00 175.22 176.19 2h53 s LYS 58 N -0.98 1.47 -0.04 0.44 -0.14 -0.34 -1.35 119.74 118.81 2h53 s LYS 58 Ca 0.14 -0.82 -0.01 0.00 -1.36 0.00 0.00 55.97 53.92 2h53 s LYS 58 Cb -0.11 -1.50 0.03 0.00 -1.68 0.00 0.00 37.83 34.57 2h53 s LYS 58 CO 0.03 0.40 0.06 0.00 -0.76 0.00 0.00 175.35 175.08 2h53 s ALA 59 N -0.63 0.09 -0.51 5.17 0.00 -0.28 -1.12 121.76 124.48 2h53 s ALA 59 Ca 0.07 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.06 2h53 s ALA 59 Cb -0.08 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2h53 s ALA 59 CO 0.01 -0.30 1.14 -0.51 0.00 0.00 0.00 175.76 176.09 2h53 s ASP 60 N 1.63 6.57 -0.48 0.00 1.01 -0.70 -0.63 116.67 124.06 2h53 s ASP 60 Ca -0.02 0.33 0.08 0.00 0.71 0.00 0.00 52.55 53.65 2h53 s ASP 60 Cb -0.12 -2.54 0.33 0.00 1.01 0.00 0.00 42.92 41.60 2h53 s ASP 60 CO -0.03 -1.31 0.81 0.18 0.21 0.00 0.00 175.17 175.03 2h53 n LEU 61 N 7.96 2.53 -4.72 1.23 4.77 0.23 -4.29 117.00 124.72 2h53 n LEU 61 Ca 0.10 -5.30 -0.43 0.00 -0.03 0.00 0.00 56.01 50.36 2h53 n LEU 61 Cb 0.49 0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2h53 n LEU 61 CO 0.71 2.29 1.07 -0.81 -1.33 0.00 0.00 177.39 179.32 2h53 n PRO 62 N 0.18 2.37 -1.29 3.23 -0.04 -1.10 -2.51 135.00 135.85 2h53 n PRO 62 Ca 0.28 0.84 -0.10 0.00 -0.04 0.00 0.00 63.50 64.48 2h53 n PRO 62 Cb 0.52 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.41 2h53 n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h53 n GLY 63 N 1.45 1.07 3.88 0.55 0.00 -1.26 -4.99 105.19 105.87 2h53 n GLY 63 Ca 0.07 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2h53 n GLY 63 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h53 s VAL 64 N -2.14 5.47 -0.03 1.61 1.01 -1.04 -4.86 120.40 120.42 2h53 s VAL 64 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 2h53 s VAL 64 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2h53 s VAL 64 CO 0.00 0.61 0.14 -0.54 0.00 0.00 0.00 175.10 175.31 2h53 s LYS 65 N -1.05 3.31 0.55 2.72 1.02 -1.26 -4.95 119.74 120.07 2h53 s LYS 65 Ca 0.16 -0.34 0.37 0.00 0.02 0.00 0.00 55.97 56.18 2h53 s LYS 65 Cb -0.12 -3.03 1.55 0.00 -0.52 0.00 0.00 37.83 35.71 2h53 s LYS 65 CO 0.05 0.68 1.78 1.57 -0.92 0.00 0.00 175.35 178.52 2h53 h LYS 66 N 4.14 0.00 0.00 1.68 2.10 -1.99 0.74 116.57 123.24 2h53 h LYS 66 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2h53 h LYS 66 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2h53 h LYS 66 CO 0.65 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.49 2h53 n GLU 67 N -4.12 0.36 0.00 0.07 4.71 -1.26 -2.63 120.64 117.78 2h53 n GLU 67 Ca 0.26 0.08 0.05 0.00 -0.01 0.00 0.00 57.16 57.53 2h53 n GLU 67 Cb 1.28 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 30.20 2h53 n GLU 67 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2h53 n GLU 68 N -1.22 2.36 -4.34 3.49 1.02 0.26 -5.00 120.64 117.21 2h53 n GLU 68 Ca 0.11 -0.51 -0.28 0.00 -0.02 0.00 0.00 57.16 56.45 2h53 n GLU 68 Cb 0.13 -1.05 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 2h53 n GLU 68 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2h53 s VAL 69 N -1.40 2.71 -0.05 2.62 1.01 -1.08 -1.84 120.40 122.38 2h53 s VAL 69 Ca 0.07 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.37 2h53 s VAL 69 Cb 0.08 -2.26 0.04 0.00 0.00 0.00 0.00 36.38 34.23 2h53 s VAL 69 CO 0.26 0.03 0.10 -0.75 0.00 0.00 0.00 175.10 174.74 2h53 s LYS 70 N -2.32 0.01 -0.25 2.72 2.20 0.73 -4.93 119.74 117.90 2h53 s LYS 70 Ca 0.19 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 2h53 s LYS 70 Cb -0.10 -0.26 0.04 0.00 -1.51 0.00 0.00 37.83 36.00 2h53 s LYS 70 CO 0.10 -0.21 -0.08 0.08 -0.36 0.00 0.00 175.35 174.88 2h53 s VAL 71 N 1.44 2.56 0.39 4.02 1.01 -1.26 -1.66 120.40 126.90 2h53 s VAL 71 Ca -0.05 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.67 2h53 s VAL 71 Cb -0.12 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2h53 s VAL 71 CO -0.04 0.10 0.06 -1.61 0.00 0.00 0.00 175.10 173.61 2h53 s GLU 72 N 1.23 1.85 -0.06 2.72 2.02 -0.35 -4.98 118.70 121.14 2h53 s GLU 72 Ca -0.03 -2.08 0.01 0.00 0.02 0.00 0.00 54.97 52.89 2h53 s GLU 72 Cb -0.18 -1.03 0.02 0.00 0.10 0.00 0.00 34.13 33.04 2h53 s GLU 72 CO -0.05 -0.26 -0.08 0.08 0.02 0.00 0.00 175.26 174.96 2h53 s VAL 73 N -3.12 0.88 0.13 2.63 1.01 -1.26 -1.15 120.40 119.52 2h53 s VAL 73 Ca 0.29 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.06 2h53 s VAL 73 Cb 0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2h53 s VAL 73 CO 0.14 0.30 -0.26 -1.61 0.00 0.00 0.00 175.10 173.68 2h53 s GLU 74 N 0.90 1.35 -1.70 2.72 2.02 -0.20 -4.77 118.70 119.02 2h53 s GLU 74 Ca -0.11 -1.33 -0.11 0.00 0.02 0.00 0.00 54.97 53.45 2h53 s GLU 74 Cb -0.15 -1.79 0.11 0.00 0.10 0.00 0.00 34.13 32.40 2h53 s GLU 74 CO 0.01 0.42 0.28 -0.25 0.02 0.00 0.00 175.26 175.74 2h53 n ASP 75 N 0.89 -0.34 0.00 -0.19 8.00 -1.26 -1.46 116.55 122.19 2h53 n ASP 75 Ca -0.18 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2h53 n ASP 75 Cb 0.53 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 39.99 2h53 n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2h53 n GLY 76 N -1.90 0.51 1.07 0.44 0.00 -1.26 -4.47 105.19 99.59 2h53 n GLY 76 Ca -0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.94 2h53 n GLY 76 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2h53 n ASN 77 N 0.69 1.34 -3.93 1.61 0.23 -1.09 -2.30 115.26 111.81 2h53 n ASN 77 Ca 0.00 -2.90 -0.30 0.00 -0.53 0.00 0.00 54.58 50.84 2h53 n ASN 77 Cb 0.00 -0.41 -0.15 0.00 -2.08 0.00 0.00 39.78 37.14 2h53 n ASN 77 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2h53 s VAL 78 N -1.54 1.64 0.20 3.53 1.01 -0.53 -0.08 120.40 124.63 2h53 s VAL 78 Ca 0.36 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 2h53 s VAL 78 Cb 0.38 -2.04 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 2h53 s VAL 78 CO -0.12 -0.34 1.12 -0.22 0.00 0.00 0.00 175.10 175.54 2h53 s LEU 79 N 1.29 4.49 -0.08 3.92 2.96 -0.57 -1.04 118.68 129.65 2h53 s LEU 79 Ca 0.01 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 56.09 2h53 s LEU 79 Cb -0.19 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.91 2h53 s LEU 79 CO -0.10 -0.24 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.90 2h53 s VAL 80 N -0.36 1.03 -0.13 1.68 1.01 -0.30 -1.32 120.40 122.01 2h53 s VAL 80 Ca 0.49 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.13 2h53 s VAL 80 Cb -0.31 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2h53 s VAL 80 CO 0.36 0.35 -0.19 -0.69 0.00 0.00 0.00 175.10 174.94 2h53 s VAL 81 N 1.14 1.81 0.21 2.92 1.01 0.44 -1.20 120.40 126.73 2h53 s VAL 81 Ca -0.06 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 2h53 s VAL 81 Cb -0.14 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 2h53 s VAL 81 CO -0.02 0.50 0.32 -0.94 0.00 0.00 0.00 175.10 174.96 2h53 s SER 82 N 1.00 0.02 0.00 3.32 1.04 -0.66 0.38 113.70 118.80 2h53 s SER 82 Ca -0.04 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2h53 s SER 82 Cb -0.15 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2h53 s SER 82 CO -0.04 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2h53 n GLY 83 N -0.31 -0.82 3.20 7.32 0.00 -0.89 -0.19 105.19 113.50 2h53 n GLY 83 Ca -0.02 -1.05 0.04 0.00 0.00 0.00 0.00 46.02 45.00 2h53 n GLY 83 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2h53 s GLU 84 N -1.55 0.17 0.15 1.61 2.12 -0.76 -2.53 118.70 117.91 2h53 s GLU 84 Ca 0.00 0.35 -0.31 0.00 0.36 0.00 0.00 54.97 55.37 2h53 s GLU 84 Cb 0.00 0.20 -0.10 0.00 0.26 0.00 0.00 34.13 34.49 2h53 s GLU 84 CO 0.00 -0.14 1.71 0.50 -0.54 0.00 0.00 175.26 176.78 2h53 s ARG 85 N 2.72 4.16 0.83 4.30 3.52 -1.26 -4.84 118.95 128.38 2h53 s ARG 85 Ca -0.02 2.50 -0.11 0.00 -0.13 0.00 0.00 55.73 57.97 2h53 s ARG 85 Cb -0.08 -3.34 0.09 0.00 -1.56 0.00 0.00 34.95 30.06 2h53 s ARG 85 CO -0.13 -0.74 1.10 0.99 -0.81 0.00 0.00 175.30 175.71 2h53 s THR 86 N 1.90 2.97 0.20 4.11 2.01 -1.26 -4.88 115.64 120.68 2h53 s THR 86 Ca 0.75 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.77 2h53 s THR 86 Cb -0.45 -2.74 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 2h53 s THR 86 CO 0.33 -0.41 1.28 -0.54 -0.69 0.00 0.00 174.62 174.58 2h53 s LYS 87 N -4.88 4.42 -0.34 4.92 1.02 -1.26 -4.92 119.74 118.70 2h53 s LYS 87 Ca 0.63 2.01 -0.29 0.00 0.02 0.00 0.00 55.97 58.34 2h53 s LYS 87 Cb -0.18 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2h53 s LYS 87 CO 0.57 -0.20 1.68 -1.21 -0.92 0.00 0.00 175.35 175.26 2h53 s GLU 88 N -0.20 3.44 0.00 1.68 2.02 -1.26 -4.81 118.70 119.57 2h53 s GLU 88 Ca 0.55 1.32 -0.01 0.00 0.02 0.00 0.00 54.97 56.85 2h53 s GLU 88 Cb -0.35 -4.14 -0.06 0.00 0.10 0.00 0.00 34.13 29.68 2h53 s GLU 88 CO 0.38 -1.72 1.31 1.63 0.02 0.00 0.00 175.26 176.88 2h53 n LYS 89 N 8.27 0.62 -3.04 1.61 5.02 -1.26 -4.82 118.16 124.56 2h53 n LYS 89 Ca 0.21 -0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 2h53 n LYS 89 Cb 0.47 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 2h53 n LYS 89 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2h53 s GLU 90 N 1.65 3.73 -0.01 1.97 2.02 -1.26 -4.89 118.70 121.90 2h53 s GLU 90 Ca 0.14 0.30 -0.01 0.00 0.02 0.00 0.00 54.97 55.42 2h53 s GLU 90 Cb 0.07 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.80 2h53 s GLU 90 CO 0.00 0.06 0.05 -0.25 0.02 0.00 0.00 175.26 175.14 2h53 n ASP 91 N -1.14 0.01 -4.69 -0.19 8.00 -1.26 -4.81 116.55 112.48 2h53 n ASP 91 Ca 0.01 0.01 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 2h53 n ASP 91 Cb 0.54 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2h53 n ASP 91 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2h53 s LYS 92 N 0.15 4.30 0.00 -1.24 2.47 -1.26 -2.44 119.74 121.72 2h53 s LYS 92 Ca 0.02 1.90 0.00 0.00 -1.56 0.00 0.00 55.97 56.34 2h53 s LYS 92 Cb -0.03 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 2h53 s LYS 92 CO 0.01 -0.54 0.00 0.27 0.16 0.00 0.00 175.35 175.25 2h53 n ASN 93 N 5.27 0.00 -4.63 1.43 2.04 -1.26 -5.11 115.26 113.00 2h53 n ASN 93 Ca 0.13 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.92 2h53 n ASN 93 Cb 0.44 0.00 0.11 0.00 -2.53 0.00 0.00 39.78 37.80 2h53 n ASN 93 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2h53 n ASP 94 N 0.00 0.45 -4.67 0.53 8.00 -1.02 -4.97 116.55 114.87 2h53 n ASP 94 Ca 0.00 0.60 -0.38 0.00 0.71 0.00 0.00 54.79 55.72 2h53 n ASP 94 Cb 0.00 -1.43 -0.08 0.00 -0.02 0.00 0.00 41.12 39.59 2h53 n ASP 94 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2h53 s LYS 95 N -3.69 4.14 -0.60 -1.24 2.20 -1.26 -5.04 119.74 114.25 2h53 s LYS 95 Ca 0.72 0.05 -0.18 0.00 -0.36 0.00 0.00 55.97 56.19 2h53 s LYS 95 Cb -0.31 -3.53 0.11 0.00 -1.51 0.00 0.00 37.83 32.59 2h53 s LYS 95 CO 0.52 0.00 0.69 -1.58 -0.36 0.00 0.00 175.35 174.63 2h53 s TRP 96 N 1.21 3.05 -0.02 4.03 0.51 -1.26 -4.91 118.94 121.55 2h53 s TRP 96 Ca 0.15 -1.04 -0.24 0.00 -2.12 0.00 0.00 56.10 52.86 2h53 s TRP 96 Cb -0.14 -3.99 -0.20 0.00 -0.81 0.00 0.00 33.47 28.32 2h53 s TRP 96 CO 0.07 -1.26 1.18 0.45 -0.51 0.00 0.00 176.95 176.87 2h53 h HIS 97 N 9.10 0.24 -3.04 -1.98 3.86 -2.06 -3.46 115.15 117.82 2h53 h HIS 97 Ca -0.27 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 58.66 2h53 h HIS 97 Cb 1.09 -0.04 -0.28 0.00 1.06 0.00 0.00 27.41 29.24 2h53 h HIS 97 CO 0.84 0.77 -0.45 0.50 0.86 0.00 0.00 177.93 180.45 2h53 s ARG 98 N -3.73 0.26 -0.25 2.45 3.52 -1.26 -5.13 118.95 114.80 2h53 s ARG 98 Ca -0.15 0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.90 2h53 s ARG 98 Cb 0.02 -0.00 0.08 0.00 -1.56 0.00 0.00 34.95 33.49 2h53 s ARG 98 CO 0.73 -0.11 0.06 0.08 -0.81 0.00 0.00 175.30 175.25 2h53 s VAL 99 N 0.78 0.72 -0.21 7.11 1.01 -1.26 -4.96 120.40 123.60 2h53 s VAL 99 Ca -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2h53 s VAL 99 Cb -0.07 -1.35 -0.13 0.00 0.00 0.00 0.00 36.38 34.83 2h53 s VAL 99 CO -0.05 -0.41 -0.19 -0.62 0.00 0.00 0.00 175.10 173.83 2h53 n GLU 100 N 4.95 0.52 -1.89 2.72 1.02 -1.26 -4.85 120.64 121.84 2h53 n GLU 100 Ca -0.06 0.13 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 2h53 n GLU 100 Cb 0.45 -1.41 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 2h53 n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2h53 s ARG 101 N -2.42 2.74 -0.40 3.49 0.52 -1.26 -4.87 118.95 116.75 2h53 s ARG 101 Ca -0.28 1.11 0.02 0.00 -0.52 0.00 0.00 55.73 56.06 2h53 s ARG 101 Cb 0.08 -4.38 0.16 0.00 0.52 0.00 0.00 34.95 31.32 2h53 s ARG 101 CO 0.48 -2.57 0.29 0.45 0.02 0.00 0.00 175.30 173.96 2h53 s SER 102 N 8.47 2.27 0.19 0.23 0.15 -1.26 -5.13 113.70 118.62 2h53 s SER 102 Ca 0.80 -2.72 -0.00 0.00 0.70 0.00 0.00 55.95 54.72 2h53 s SER 102 Cb -0.18 -0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 2h53 s SER 102 CO 0.26 -0.23 0.37 -0.44 1.20 0.00 0.00 173.24 174.41 2h53 s SER 103 N 0.43 6.38 0.00 5.45 0.01 -1.26 -5.11 113.70 119.60 2h53 s SER 103 Ca 0.26 0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2h53 s SER 103 Cb -0.09 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.15 2h53 s SER 103 CO -0.10 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2h53 n GLY 104 N -0.63 4.20 3.75 3.44 0.00 -1.26 -4.80 105.19 109.89 2h53 n GLY 104 Ca -0.05 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 2h53 n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h53 s LYS 105 N -0.63 2.43 -0.17 1.61 2.20 -1.26 -4.45 119.74 119.47 2h53 s LYS 105 Ca 0.00 1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.84 2h53 s LYS 105 Cb 0.00 -1.89 0.14 0.00 -1.51 0.00 0.00 37.83 34.57 2h53 s LYS 105 CO 0.00 -1.56 1.07 -0.59 -0.36 0.00 0.00 175.35 173.91 2h53 s PHE 106 N -2.24 -0.29 -0.04 4.03 -0.12 -1.05 -5.00 117.98 113.27 2h53 s PHE 106 Ca 0.69 0.44 -0.02 0.00 -0.05 0.00 0.00 56.93 58.00 2h53 s PHE 106 Cb -0.24 0.47 0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2h53 s PHE 106 CO 0.44 -0.30 0.08 0.54 -0.05 0.00 0.00 175.22 175.94 2h53 s VAL 107 N -1.42 -0.04 0.02 -2.49 0.11 -1.26 -2.09 120.40 113.24 2h53 s VAL 107 Ca 0.02 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 2h53 s VAL 107 Cb -0.01 -0.14 -0.02 0.00 -1.53 0.00 0.00 36.38 34.69 2h53 s VAL 107 CO -0.02 0.05 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.54 2h53 s ARG 108 N 0.76 0.98 0.00 1.54 1.81 0.16 -4.98 118.95 119.22 2h53 s ARG 108 Ca -0.06 -0.66 0.02 0.00 -1.72 0.00 0.00 55.73 53.30 2h53 s ARG 108 Cb -0.08 -0.98 -0.01 0.00 -0.45 0.00 0.00 34.95 33.43 2h53 s ARG 108 CO -0.03 0.25 -0.06 1.03 -0.68 0.00 0.00 175.30 175.81 2h53 s ARG 109 N -0.86 0.46 -0.01 3.54 0.52 -1.26 -0.42 118.95 120.92 2h53 s ARG 109 Ca 0.03 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2h53 s ARG 109 Cb -0.07 -0.40 -0.01 0.00 0.52 0.00 0.00 34.95 34.99 2h53 s ARG 109 CO 0.01 0.10 -0.13 -0.06 0.02 0.00 0.00 175.30 175.24 2h53 s PHE 110 N -0.37 1.17 -0.46 -0.53 0.40 -0.43 -4.97 117.98 112.79 2h53 s PHE 110 Ca -0.00 -0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 55.91 2h53 s PHE 110 Cb -0.04 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.78 2h53 s PHE 110 CO -0.00 -0.02 0.61 0.50 0.70 0.00 0.00 175.22 177.01 2h53 s ARG 111 N -0.33 3.20 0.62 0.44 3.52 -1.26 -1.52 118.95 123.62 2h53 s ARG 111 Ca 0.05 -0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 54.89 2h53 s ARG 111 Cb -0.05 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.32 2h53 s ARG 111 CO -0.00 -1.05 1.19 -0.51 -0.81 0.00 0.00 175.30 174.12 2h53 s LEU 112 N 2.68 3.58 0.41 -0.88 1.43 0.89 -4.92 118.68 121.86 2h53 s LEU 112 Ca 0.19 2.33 0.22 0.00 -1.03 0.00 0.00 54.13 55.84 2h53 s LEU 112 Cb -0.16 -4.59 0.67 0.00 0.03 0.00 0.00 46.19 42.14 2h53 s LEU 112 CO 0.16 -1.71 1.72 -0.07 0.23 0.00 0.00 176.35 176.68 2h53 h LEU 113 N 0.59 0.00 -7.76 1.79 3.38 -1.96 -3.45 115.31 107.90 2h53 h LEU 113 Ca -0.50 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.31 2h53 h LEU 113 Cb 1.29 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.82 2h53 h LEU 113 CO 0.54 0.25 -0.56 -1.83 0.09 0.00 0.00 178.44 176.93 2h53 s GLU 114 N -3.44 0.35 0.15 1.13 -1.05 -1.26 -5.12 118.70 109.47 2h53 s GLU 114 Ca 0.02 -0.29 -0.34 0.00 -0.15 0.00 0.00 54.97 54.21 2h53 s GLU 114 Cb 0.09 0.14 -0.14 0.00 -0.44 0.00 0.00 34.13 33.78 2h53 s GLU 114 CO 0.66 -0.07 1.55 -0.25 0.95 0.00 0.00 175.26 178.10 2h53 n ASP 115 N 1.91 2.93 -4.86 0.83 9.92 -1.26 -4.82 116.55 121.20 2h53 n ASP 115 Ca -0.20 1.09 -0.33 0.00 -0.53 0.00 0.00 54.79 54.81 2h53 n ASP 115 Cb 0.56 -1.40 -0.06 0.00 -0.64 0.00 0.00 41.12 39.59 2h53 n ASP 115 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2h53 s ALA 116 N 0.88 3.55 -1.07 2.24 0.00 -0.97 -5.00 121.76 121.38 2h53 s ALA 116 Ca 0.79 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 2h53 s ALA 116 Cb -0.71 -2.50 0.12 0.00 0.00 0.00 0.00 23.12 20.03 2h53 s ALA 116 CO 0.39 0.47 1.35 0.15 0.00 0.00 0.00 175.76 178.11 2h53 s LYS 117 N -2.44 3.79 0.49 0.00 1.02 -1.26 -4.88 119.74 116.46 2h53 s LYS 117 Ca 0.44 -1.93 0.44 0.00 0.02 0.00 0.00 55.97 54.93 2h53 s LYS 117 Cb -0.13 -5.11 1.54 0.00 -0.52 0.00 0.00 37.83 33.62 2h53 s LYS 117 CO 0.20 -1.90 1.41 0.28 -0.92 0.00 0.00 175.35 174.42 2h53 n VAL 118 N 5.58 -0.03 0.99 3.17 0.31 -1.26 0.10 118.33 127.19 2h53 n VAL 118 Ca 0.32 1.39 0.13 0.00 -0.01 0.00 0.00 64.34 66.17 2h53 n VAL 118 Cb 0.47 -2.31 0.60 0.00 -0.91 0.00 0.00 33.84 31.70 2h53 n VAL 118 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2h53 n GLU 119 N -3.84 0.04 0.00 5.55 0.00 -1.26 -3.08 120.64 118.05 2h53 n GLU 119 Ca 0.40 0.02 0.10 0.00 0.00 0.00 0.00 57.16 57.68 2h53 n GLU 119 Cb 1.78 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 31.63 2h53 n GLU 119 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2h53 n GLU 120 N -1.48 0.64 -2.36 3.44 1.02 0.29 -4.94 120.64 117.26 2h53 n GLU 120 Ca 0.07 -0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 56.57 2h53 n GLU 120 Cb 0.31 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 2h53 n GLU 120 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2h53 s VAL 121 N -2.75 4.04 -0.08 2.62 1.01 -1.18 -4.56 120.40 119.50 2h53 s VAL 121 Ca 0.10 1.37 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 2h53 s VAL 121 Cb 0.15 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2h53 s VAL 121 CO 0.75 -0.02 -0.02 -0.54 0.00 0.00 0.00 175.10 175.28 2h53 s LYS 122 N 2.47 2.91 -0.05 2.72 -0.14 -0.80 -4.98 119.74 121.87 2h53 s LYS 122 Ca 0.59 -0.45 -0.02 0.00 -1.36 0.00 0.00 55.97 54.73 2h53 s LYS 122 Cb -0.27 -2.73 0.03 0.00 -1.68 0.00 0.00 37.83 33.17 2h53 s LYS 122 CO 0.23 0.69 0.04 0.00 -0.76 0.00 0.00 175.35 175.55 2h53 s ALA 123 N -0.88 0.36 0.04 5.17 0.00 -1.26 -0.65 121.76 124.54 2h53 s ALA 123 Ca 0.13 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.24 2h53 s ALA 123 Cb -0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2h53 s ALA 123 CO 0.03 -0.45 -0.13 0.20 0.00 0.00 0.00 175.76 175.41 2h53 s GLY 124 N 2.01 0.75 -0.16 0.00 0.00 -0.37 -4.97 107.32 104.59 2h53 s GLY 124 Ca 0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.95 2h53 s GLY 124 CO -0.04 -0.78 -0.14 -2.27 0.00 0.00 0.00 173.10 169.87 2h53 s LEU 125 N -1.13 2.50 -0.24 0.66 2.96 -1.26 -0.84 118.68 121.33 2h53 s LEU 125 Ca 0.01 -0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 53.29 2h53 s LEU 125 Cb -0.08 -1.58 0.07 0.00 0.50 0.00 0.00 46.19 45.10 2h53 s LEU 125 CO 0.01 0.07 0.61 -0.70 -1.32 0.00 0.00 176.35 175.02 2h53 s GLU 126 N 0.89 0.65 -1.52 1.98 2.12 -0.91 -4.94 118.70 116.97 2h53 s GLU 126 Ca -0.04 1.01 -0.10 0.00 0.36 0.00 0.00 54.97 56.21 2h53 s GLU 126 Cb -0.15 0.17 0.07 0.00 0.26 0.00 0.00 34.13 34.49 2h53 s GLU 126 CO -0.01 -0.13 0.74 0.09 -0.54 0.00 0.00 175.26 175.40 2h53 n ASN 127 N 3.79 -2.67 0.00 -1.70 3.02 -1.26 -0.96 115.26 115.47 2h53 n ASN 127 Ca -0.19 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2h53 n ASN 127 Cb 0.57 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.40 2h53 n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h53 n GLY 128 N -1.67 0.51 3.23 7.41 0.00 -1.26 -4.93 105.19 108.48 2h53 n GLY 128 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2h53 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2h53 s VAL 129 N -2.38 2.85 0.10 1.61 1.01 -0.14 0.78 120.40 124.23 2h53 s VAL 129 Ca 0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 2h53 s VAL 129 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 2h53 s VAL 129 CO 0.00 0.43 0.72 -0.22 0.00 0.00 0.00 175.10 176.03 2h53 s LEU 130 N 1.39 4.53 -0.08 3.92 2.96 0.19 -2.14 118.68 129.46 2h53 s LEU 130 Ca 0.05 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 2h53 s LEU 130 Cb -0.14 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.40 2h53 s LEU 130 CO -0.07 0.16 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.17 2h53 s THR 131 N -0.75 0.82 -0.23 3.68 2.01 -0.02 -1.13 115.64 120.02 2h53 s THR 131 Ca 0.35 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2h53 s THR 131 Cb -0.21 -0.84 0.04 0.00 0.01 0.00 0.00 72.50 71.50 2h53 s THR 131 CO 0.23 0.31 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.65 2h53 s VAL 132 N 1.38 2.19 -0.20 3.82 1.01 -0.45 -1.23 120.40 126.92 2h53 s VAL 132 Ca -0.02 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.56 2h53 s VAL 132 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2h53 s VAL 132 CO -0.03 0.20 0.06 -0.89 0.00 0.00 0.00 175.10 174.44 2h53 s THR 133 N 1.19 4.67 -0.32 3.92 2.01 0.17 -1.06 115.64 126.23 2h53 s THR 133 Ca -0.03 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 61.92 2h53 s THR 133 Cb -0.17 -3.12 0.08 0.00 0.01 0.00 0.00 72.50 69.30 2h53 s THR 133 CO -0.08 0.43 0.01 -0.69 -0.69 0.00 0.00 174.62 173.60 2h53 s VAL 134 N 0.68 2.44 0.16 3.82 1.01 0.65 -1.91 120.40 127.25 2h53 s VAL 134 Ca 0.03 -1.96 -0.31 0.00 0.00 0.00 0.00 61.98 59.74 2h53 s VAL 134 Cb -0.13 -2.62 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 2h53 s VAL 134 CO 0.02 -0.36 1.71 -2.84 0.00 0.00 0.00 175.10 173.62 2h53 s PRO 135 N 1.04 4.16 0.00 2.72 0.02 -1.26 -0.64 135.00 141.03 2h53 s PRO 135 Ca 0.02 2.52 0.27 0.00 0.02 0.00 0.00 61.00 63.82 2h53 s PRO 135 Cb -0.20 -3.28 0.74 0.00 0.02 0.00 0.00 34.50 31.79 2h53 s PRO 135 CO -0.06 -0.74 1.57 1.63 -0.33 0.00 0.00 177.00 179.08