#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x62 s SER 2 N 0.00 7.34 0.12 1.61 0.01 -1.26 -5.07 113.70 116.45 1x62 s SER 2 Ca 0.00 1.74 0.01 0.00 1.31 0.00 0.00 55.95 59.01 1x62 s SER 2 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1x62 s SER 2 CO 0.00 0.03 -0.01 -0.55 0.41 0.00 0.00 173.24 173.12 1x62 s SER 3 N -1.49 0.83 0.00 2.44 0.15 -1.26 -5.14 113.70 109.23 1x62 s SER 3 Ca 0.45 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1x62 s SER 3 Cb -0.20 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1x62 s SER 3 CO 0.25 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1x62 n GLY 4 N -0.08 2.58 3.94 9.45 0.00 -1.26 -5.00 105.19 114.82 1x62 n GLY 4 Ca -0.09 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1x62 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x62 n SER 5 N 0.00 -4.56 -4.33 1.61 3.41 -1.26 -4.96 113.62 103.53 1x62 n SER 5 Ca 0.00 -0.80 -0.32 0.00 -0.26 0.00 0.00 58.87 57.49 1x62 n SER 5 Cb 0.00 -3.65 -0.15 0.00 -0.26 0.00 0.00 64.21 60.15 1x62 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x62 s SER 6 N -3.26 3.51 0.00 4.04 0.01 -1.26 -5.10 113.70 111.64 1x62 s SER 6 Ca 0.67 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1x62 s SER 6 Cb -0.34 -1.10 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1x62 s SER 6 CO 0.83 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.33 1x62 n GLY 7 N 3.02 2.01 0.14 3.44 0.00 -1.26 -5.03 105.19 107.51 1x62 n GLY 7 Ca -0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 1x62 n GLY 7 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x62 h SER 8 N 0.00 0.26 -3.24 1.61 4.64 -2.07 -3.41 113.55 111.35 1x62 h SER 8 Ca 0.00 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.82 1x62 h SER 8 Cb 0.00 -0.05 -0.38 0.00 -0.31 0.00 0.00 62.40 61.67 1x62 h SER 8 CO 0.00 0.19 -0.79 -0.51 -0.87 0.00 0.00 176.83 174.85 1x62 s ILE 9 N -6.17 0.85 0.00 0.95 2.07 -1.26 -5.03 121.20 112.61 1x62 s ILE 9 Ca -0.13 -0.28 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1x62 s ILE 9 Cb 0.10 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.72 1x62 s ILE 9 CO 0.71 0.25 0.00 0.61 -1.91 0.00 0.00 174.94 174.59 1x62 n GLY 10 N 4.99 -0.06 2.90 1.50 0.00 -1.26 -5.18 105.19 108.07 1x62 n GLY 10 Ca -0.11 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 1x62 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x62 s ASN 11 N 0.00 0.23 0.86 1.61 2.20 -1.26 -4.91 114.94 113.67 1x62 s ASN 11 Ca 0.00 -0.03 -0.12 0.00 -0.94 0.00 0.00 52.86 51.77 1x62 s ASN 11 Cb 0.00 -0.03 0.11 0.00 -2.00 0.00 0.00 41.25 39.33 1x62 s ASN 11 CO 0.00 0.02 1.10 0.00 -2.94 0.00 0.00 177.10 175.28 1x62 s ALA 12 N -0.00 1.83 -0.04 3.54 0.00 -1.26 -5.02 121.76 120.81 1x62 s ALA 12 Ca 0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.71 1x62 s ALA 12 Cb -0.01 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.91 1x62 s ALA 12 CO -0.00 -2.11 0.45 1.96 0.00 0.00 0.00 175.76 176.06 1x62 h GLN 13 N -1.37 -0.31 -5.77 0.00 1.08 -2.02 -3.46 115.11 103.26 1x62 h GLN 13 Ca -0.49 0.02 -0.62 0.00 -1.45 0.00 0.00 58.65 56.11 1x62 h GLN 13 Cb 1.28 0.07 -0.31 0.00 -0.05 0.00 0.00 27.48 28.47 1x62 h GLN 13 CO 0.57 -0.21 -0.86 0.15 -0.95 0.00 0.00 178.83 177.53 1x62 s LYS 14 N -2.62 2.04 -0.05 1.46 3.01 -1.26 -5.14 119.74 117.18 1x62 s LYS 14 Ca -0.05 -0.76 -0.08 0.00 -1.01 0.00 0.00 55.97 54.08 1x62 s LYS 14 Cb 0.00 -1.80 0.01 0.00 -1.01 0.00 0.00 37.83 35.04 1x62 s LYS 14 CO 0.14 0.35 0.19 -0.51 0.51 0.00 0.00 175.35 176.04 1x62 s LEU 15 N -0.18 1.29 -0.78 3.17 1.43 -1.26 -5.09 118.68 117.26 1x62 s LEU 15 Ca -0.00 0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 1x62 s LEU 15 Cb -0.11 0.73 -0.04 0.00 0.03 0.00 0.00 46.19 46.80 1x62 s LEU 15 CO 0.02 -0.18 1.91 -2.16 0.23 0.00 0.00 176.35 176.16 1x62 s PRO 16 N -0.42 2.59 0.11 1.29 0.04 -1.26 -4.63 135.00 132.71 1x62 s PRO 16 Ca -0.05 0.10 -0.35 0.00 0.04 0.00 0.00 61.00 60.74 1x62 s PRO 16 Cb -0.03 -4.77 -0.14 0.00 0.04 0.00 0.00 34.50 29.59 1x62 s PRO 16 CO 0.01 -3.10 1.56 -1.33 0.04 0.00 0.00 177.00 174.18 1x62 n MET 17 N 9.00 1.90 -0.89 4.56 2.81 -1.26 -3.03 117.12 130.20 1x62 n MET 17 Ca 0.32 0.69 -0.34 0.00 -1.81 0.00 0.00 57.70 56.56 1x62 n MET 17 Cb 0.49 -2.43 0.11 0.00 -0.71 0.00 0.00 33.22 30.68 1x62 n MET 17 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x62 n ASP 19 N -1.09 1.98 0.49 0.00 2.03 -1.01 -3.20 116.55 115.75 1x62 n ASP 19 Ca 0.07 0.02 -0.19 0.00 0.52 0.00 0.00 54.79 55.22 1x62 n ASP 19 Cb 0.53 -0.56 -0.09 0.00 -0.72 0.00 0.00 41.12 40.27 1x62 n ASP 19 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1x62 h LYS 20 N -0.27 -1.19 0.00 -0.67 3.64 -1.93 -3.38 116.57 112.77 1x62 h LYS 20 Ca -0.59 0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 1x62 h LYS 20 Cb 1.82 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 1x62 h LYS 20 CO -0.16 -0.79 -0.65 0.00 -2.27 0.00 0.00 179.45 175.57 1x62 n GLY 22 N 1.58 0.65 2.95 0.00 0.00 -1.20 -5.02 105.19 104.17 1x62 n GLY 22 Ca -0.12 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1x62 n GLY 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x62 s THR 23 N -0.88 0.29 -0.34 2.61 -4.23 -1.26 -4.77 115.64 107.06 1x62 s THR 23 Ca 0.00 -0.39 -0.35 0.00 -1.18 0.00 0.00 61.69 59.77 1x62 s THR 23 Cb 0.00 -0.29 -0.12 0.00 1.34 0.00 0.00 72.50 73.43 1x62 s THR 23 CO 0.00 -0.07 2.17 0.61 -0.54 0.00 0.00 174.62 176.79 1x62 n GLY 24 N 2.57 0.52 3.77 3.99 0.00 -1.26 -0.83 105.19 113.94 1x62 n GLY 24 Ca -0.16 0.93 -0.39 0.00 0.00 0.00 0.00 46.02 46.41 1x62 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x62 s ILE 25 N 7.12 2.80 -0.04 -0.61 1.01 -1.17 -4.91 121.20 125.40 1x62 s ILE 25 Ca 1.09 0.71 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1x62 s ILE 25 Cb -0.87 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.21 1x62 s ILE 25 CO 0.50 0.10 -0.02 0.54 0.00 0.00 0.00 174.94 176.06 1x62 s VAL 26 N -1.30 0.33 0.00 2.92 0.11 -1.26 -4.48 120.40 116.72 1x62 s VAL 26 Ca 0.56 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1x62 s VAL 26 Cb -0.36 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1x62 s VAL 26 CO 0.46 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 173.02 1x62 n GLY 27 N 4.12 0.43 3.77 6.54 0.00 -1.26 -4.85 105.19 113.94 1x62 n GLY 27 Ca -0.25 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1x62 n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x62 s VAL 28 N 0.00 2.76 0.06 1.61 0.11 -1.26 -5.02 120.40 118.67 1x62 s VAL 28 Ca 0.00 0.65 -0.27 0.00 -2.93 0.00 0.00 61.98 59.42 1x62 s VAL 28 Cb 0.00 -3.37 0.09 0.00 -1.53 0.00 0.00 36.38 31.57 1x62 s VAL 28 CO 0.00 0.06 0.98 0.72 -3.33 0.00 0.00 175.10 173.53 1x62 s PHE 29 N -1.34 -0.20 -0.47 1.54 -0.12 -1.26 -4.53 117.98 111.60 1x62 s PHE 29 Ca 0.59 -0.01 -0.18 0.00 -0.05 0.00 0.00 56.93 57.28 1x62 s PHE 29 Cb -0.35 0.59 0.05 0.00 -0.63 0.00 0.00 43.02 42.67 1x62 s PHE 29 CO 0.44 -0.65 0.52 0.08 -0.05 0.00 0.00 175.22 175.57 1x62 s VAL 30 N -3.11 5.00 -0.18 -2.49 1.01 -0.61 -4.83 120.40 115.20 1x62 s VAL 30 Ca 0.10 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1x62 s VAL 30 Cb -0.01 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1x62 s VAL 30 CO -0.03 -0.63 0.85 -0.75 0.00 0.00 0.00 175.10 174.54 1x62 s LYS 31 N 2.31 4.29 0.37 2.72 2.36 -1.26 -1.63 119.74 128.89 1x62 s LYS 31 Ca 0.13 1.04 0.06 0.00 -2.55 0.00 0.00 55.97 54.65 1x62 s LYS 31 Cb -0.19 -3.58 -0.00 0.00 -1.05 0.00 0.00 37.83 33.00 1x62 s LYS 31 CO 0.12 -0.37 0.52 -0.51 1.55 0.00 0.00 175.35 176.66 1x62 s LEU 32 N 2.28 3.87 0.00 5.43 1.43 0.93 -5.00 118.68 127.63 1x62 s LEU 32 Ca 0.39 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1x62 s LEU 32 Cb -0.16 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1x62 s LEU 32 CO 0.12 -0.53 0.51 0.54 0.23 0.00 0.00 176.35 177.21 1x62 n ARG 33 N -1.75 0.00 0.00 1.70 3.00 -1.26 -3.19 116.66 115.16 1x62 n ARG 33 Ca 0.01 0.51 0.01 0.00 -0.01 0.00 0.00 57.85 58.37 1x62 n ARG 33 Cb 0.58 -0.81 0.00 0.00 0.00 0.00 0.00 32.46 32.23 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1x62 n ASP 34 N -2.05 0.89 -4.81 0.55 9.92 -1.26 -5.04 116.55 114.75 1x62 n ASP 34 Ca 0.00 -0.95 -0.27 0.00 -0.53 0.00 0.00 54.79 53.04 1x62 n ASP 34 Cb 0.00 0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.71 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x62 s ARG 35 N -0.47 2.23 -0.00 -1.24 1.81 -1.19 -5.16 118.95 114.93 1x62 s ARG 35 Ca 0.02 -2.04 -0.04 0.00 -1.72 0.00 0.00 55.73 51.94 1x62 s ARG 35 Cb 0.02 -1.92 -0.00 0.00 -0.45 0.00 0.00 34.95 32.60 1x62 s ARG 35 CO 0.04 -0.36 0.09 -1.01 -0.68 0.00 0.00 175.30 173.38 1x62 s HIS 36 N -2.73 0.05 0.31 -0.53 3.76 -1.26 -0.05 115.29 114.84 1x62 s HIS 36 Ca 0.30 -0.12 -0.05 0.00 -0.15 0.00 0.00 55.06 55.04 1x62 s HIS 36 Cb 0.01 -0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.64 1x62 s HIS 36 CO 0.17 -0.20 0.45 1.03 -0.85 0.00 0.00 174.74 175.35 1x62 s ARG 37 N -1.01 1.76 0.59 1.40 0.52 -0.64 -2.40 118.95 119.17 1x62 s ARG 37 Ca -0.11 -1.61 -0.07 0.00 -0.52 0.00 0.00 55.73 53.42 1x62 s ARG 37 Cb -0.06 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.84 1x62 s ARG 37 CO 0.01 -0.72 0.92 -1.01 0.02 0.00 0.00 175.30 174.51 1x62 s HIS 38 N -3.38 3.38 -1.03 -0.53 3.76 -1.26 -1.57 115.29 114.65 1x62 s HIS 38 Ca 0.29 0.81 0.14 0.00 -0.15 0.00 0.00 55.06 56.15 1x62 s HIS 38 Cb 0.00 -2.68 0.62 0.00 1.11 0.00 0.00 32.58 31.62 1x62 s HIS 38 CO 0.16 -0.73 1.45 -0.35 -0.85 0.00 0.00 174.74 174.42 1x62 n PRO 39 N -2.59 0.02 -0.02 8.40 -0.04 -1.26 -1.80 135.00 137.70 1x62 n PRO 39 Ca 0.04 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1x62 n PRO 39 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1x62 n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x62 n GLU 40 N -1.48 2.75 0.11 0.54 0.28 -1.26 -4.62 120.64 116.97 1x62 n GLU 40 Ca 0.04 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 57.01 1x62 n GLU 40 Cb 0.16 -1.13 0.05 0.00 1.43 0.00 0.00 31.44 31.95 1x62 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x62 h TYR 42 N 0.00 0.00 -3.20 0.00 3.20 -1.61 -3.41 116.97 111.94 1x62 h TYR 42 Ca -0.01 0.00 -0.52 0.00 3.14 0.00 0.00 58.73 61.34 1x62 h TYR 42 Cb 1.39 0.00 0.22 0.00 1.54 0.00 0.00 36.73 39.88 1x62 h TYR 42 CO 0.00 0.00 -0.69 1.33 -1.64 0.00 0.00 178.16 177.16 1x62 n VAL 43 N -2.82 0.00 -0.71 1.81 0.24 -1.22 -4.53 118.33 111.10 1x62 n VAL 43 Ca 0.04 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 1x62 n VAL 43 Cb 0.92 -0.60 0.16 0.00 -1.47 0.00 0.00 33.84 32.84 1x62 n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x62 n THR 45 N -4.06 1.76 0.15 0.00 -1.04 -0.70 -3.05 114.28 107.35 1x62 n THR 45 Ca 0.07 -0.68 -0.06 0.00 -2.04 0.00 0.00 64.05 61.34 1x62 n THR 45 Cb 0.55 -1.64 -0.03 0.00 -1.82 0.00 0.00 70.33 67.38 1x62 n THR 45 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1x62 h ASP 46 N 0.06 -0.34 0.00 8.00 1.82 -1.93 -3.41 116.42 120.61 1x62 h ASP 46 Ca -0.40 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1x62 h ASP 46 Cb 2.03 0.09 0.00 0.00 0.68 0.00 0.00 39.33 42.13 1x62 h ASP 46 CO 0.09 -0.18 -0.46 0.00 -1.61 0.00 0.00 179.24 177.07 1x62 n GLY 48 N 1.62 0.83 3.83 0.00 0.00 -1.17 -4.94 105.19 105.35 1x62 n GLY 48 Ca -0.06 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1x62 n GLY 48 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1x62 s THR 49 N -0.32 4.87 -0.04 2.61 -1.32 -1.26 -4.60 115.64 115.58 1x62 s THR 49 Ca 0.00 -0.59 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1x62 s THR 49 Cb 0.00 -3.35 -0.08 0.00 -1.51 0.00 0.00 72.50 67.56 1x62 s THR 49 CO 0.00 0.15 2.03 0.59 -2.21 0.00 0.00 174.62 175.19 1x62 n ASN 50 N 0.47 3.87 -1.39 8.08 4.13 -1.26 -1.96 115.26 127.20 1x62 n ASN 50 Ca -0.08 0.73 0.09 0.00 1.68 0.00 0.00 54.58 57.00 1x62 n ASN 50 Cb 0.51 -1.52 0.32 0.00 -1.54 0.00 0.00 39.78 37.56 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x62 n LEU 51 N 8.52 4.47 -0.31 3.41 4.77 -1.26 -4.64 117.00 131.97 1x62 n LEU 51 Ca 0.23 -2.48 -0.06 0.00 -0.03 0.00 0.00 56.01 53.67 1x62 n LEU 51 Cb 0.41 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1x62 n LEU 51 CO 0.68 0.78 0.57 0.50 -1.33 0.00 0.00 177.39 178.59 1x62 h LYS 52 N 3.54 -0.09 0.00 3.23 1.63 -1.89 -1.53 116.57 121.45 1x62 h LYS 52 Ca 0.00 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.74 1x62 h LYS 52 Cb 1.38 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 33.02 1x62 h LYS 52 CO 0.21 -0.06 -1.12 1.04 -3.45 0.00 0.00 179.45 176.07 1x62 n GLN 53 N -5.41 0.53 -0.24 1.90 6.02 -1.26 -4.51 117.38 114.40 1x62 n GLN 53 Ca 0.05 0.28 0.06 0.00 -0.01 0.00 0.00 57.00 57.39 1x62 n GLN 53 Cb 0.36 -1.49 0.13 0.00 1.02 0.00 0.00 30.24 30.26 1x62 n GLN 53 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x62 n LYS 54 N -4.46 -0.06 0.00 -1.09 5.02 -1.24 -4.88 118.16 111.45 1x62 n LYS 54 Ca -0.19 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 1x62 n LYS 54 Cb 0.53 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1x62 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x62 n GLY 55 N -1.39 2.09 3.18 0.72 0.00 -0.58 -4.85 105.19 104.37 1x62 n GLY 55 Ca 0.13 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 1x62 n GLY 55 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x62 s HIS 56 N -2.13 1.06 0.37 1.61 -3.43 -1.26 -4.31 115.29 107.19 1x62 s HIS 56 Ca 0.00 -0.69 0.09 0.00 -0.80 0.00 0.00 55.06 53.66 1x62 s HIS 56 Cb 0.00 -0.58 -0.07 0.00 -1.43 0.00 0.00 32.58 30.51 1x62 s HIS 56 CO 0.00 -0.01 -0.03 -0.06 -2.00 0.00 0.00 174.74 172.64 1x62 s PHE 57 N -2.64 2.47 -0.29 0.38 0.40 -0.98 -4.95 117.98 112.38 1x62 s PHE 57 Ca 0.07 -0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 55.83 1x62 s PHE 57 Cb -0.02 -1.55 0.04 0.00 0.51 0.00 0.00 43.02 42.00 1x62 s PHE 57 CO -0.00 0.50 0.00 -0.06 0.70 0.00 0.00 175.22 176.36 1x62 s PHE 58 N -2.62 3.21 -0.21 0.36 0.08 -1.26 -3.58 117.98 113.96 1x62 s PHE 58 Ca 0.34 -1.67 -0.10 0.00 0.12 0.00 0.00 56.93 55.62 1x62 s PHE 58 Cb 0.04 -2.13 0.08 0.00 -0.57 0.00 0.00 43.02 40.44 1x62 s PHE 58 CO 0.18 -0.76 0.49 0.54 -0.10 0.00 0.00 175.22 175.56 1x62 s VAL 59 N 1.31 -0.27 -1.37 -0.44 0.11 -1.05 -4.92 120.40 113.77 1x62 s VAL 59 Ca -0.03 0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 59.02 1x62 s VAL 59 Cb -0.19 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 33.95 1x62 s VAL 59 CO -0.01 0.04 1.17 -0.62 -3.33 0.00 0.00 175.10 172.34 1x62 n GLU 60 N 4.68 -7.75 -2.71 1.54 1.02 -1.26 -1.52 120.64 114.64 1x62 n GLU 60 Ca -0.18 0.81 -0.18 0.00 -0.02 0.00 0.00 57.16 57.59 1x62 n GLU 60 Cb 0.54 -5.85 0.00 0.00 -0.02 0.00 0.00 31.44 26.11 1x62 n GLU 60 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x62 n ASP 61 N -3.01 -4.82 -3.76 1.62 2.03 -1.26 -4.94 116.55 102.41 1x62 n ASP 61 Ca 0.00 -0.05 -0.22 0.00 0.52 0.00 0.00 54.79 55.04 1x62 n ASP 61 Cb 0.56 -4.00 -0.08 0.00 -0.72 0.00 0.00 41.12 36.87 1x62 n ASP 61 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1x62 s GLN 62 N -5.34 1.79 -0.06 -0.67 -1.52 -0.58 -5.13 119.66 108.16 1x62 s GLN 62 Ca 0.13 -2.06 0.02 0.00 -1.95 0.00 0.00 55.36 51.50 1x62 s GLN 62 Cb -0.06 -0.10 0.01 0.00 -0.22 0.00 0.00 33.01 32.64 1x62 s GLN 62 CO 0.16 -0.55 -0.12 0.96 -0.25 0.00 0.00 175.29 175.48 1x62 s ILE 63 N -3.39 1.12 0.36 1.08 -4.36 -1.26 -2.53 121.20 112.21 1x62 s ILE 63 Ca 0.33 -0.48 0.04 0.00 -0.26 0.00 0.00 60.65 60.28 1x62 s ILE 63 Cb 0.03 -1.02 -0.03 0.00 1.25 0.00 0.00 42.46 42.69 1x62 s ILE 63 CO 0.21 0.35 0.16 -0.31 0.24 0.00 0.00 174.94 175.58 1x62 s TYR 64 N 0.57 1.73 0.08 1.37 2.02 -1.23 -1.72 117.35 120.17 1x62 s TYR 64 Ca -0.13 -1.35 -0.18 0.00 -0.37 0.00 0.00 57.07 55.05 1x62 s TYR 64 Cb -0.15 -1.01 -0.07 0.00 -0.40 0.00 0.00 41.96 40.34 1x62 s TYR 64 CO 0.03 -0.43 0.55 0.00 -1.57 0.00 0.00 175.55 174.13 1x62 n GLU 66 N 1.52 -0.02 0.37 0.00 2.13 -1.26 0.13 120.64 123.51 1x62 n GLU 66 Ca -0.10 0.77 -0.16 0.00 0.66 0.00 0.00 57.16 58.33 1x62 n GLU 66 Cb 0.51 -1.50 -0.08 0.00 0.27 0.00 0.00 31.44 30.64 1x62 n GLU 66 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1x62 h LYS 67 N 0.00 -0.92 -0.25 5.31 3.64 -1.96 -2.12 116.57 120.27 1x62 h LYS 67 Ca 0.53 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.88 1x62 h LYS 67 Cb 1.68 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 33.70 1x62 h LYS 67 CO -0.31 -0.59 -0.21 0.45 -2.27 0.00 0.00 179.45 176.52 1x62 h HIS 68 N -1.14 0.69 -0.10 1.91 3.86 0.76 -3.07 115.15 118.06 1x62 h HIS 68 Ca -0.10 -0.20 0.02 0.00 -1.16 0.00 0.00 60.37 58.93 1x62 h HIS 68 Cb 0.76 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 29.03 1x62 h HIS 68 CO -0.00 0.89 -0.38 0.00 0.86 0.00 0.00 177.93 179.30 1x62 h ALA 69 N 0.69 -0.76 -1.01 2.45 0.00 -0.24 0.20 119.26 120.60 1x62 h ALA 69 Ca 0.04 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.15 1x62 h ALA 69 Cb 0.76 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1x62 h ALA 69 CO 0.05 -0.90 0.64 0.07 0.00 0.00 0.00 179.25 179.12 1x62 h ARG 70 N -0.41 0.46 -0.48 0.00 0.11 -1.46 0.45 114.38 113.05 1x62 h ARG 70 Ca 0.02 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 1x62 h ARG 70 Cb 0.48 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 1x62 h ARG 70 CO -0.31 0.31 -0.17 0.93 0.10 0.00 0.00 179.97 180.83 1x62 h GLU 71 N 0.48 0.94 0.17 0.08 5.08 -0.97 -2.33 114.58 118.03 1x62 h GLU 71 Ca 0.57 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1x62 h GLU 71 Cb 1.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1x62 h GLU 71 CO -0.30 1.03 -0.08 0.00 -1.00 0.00 0.00 179.01 178.66 1x62 h ARG 72 N 0.82 -0.21 -0.79 2.33 3.08 0.24 -3.34 114.38 116.52 1x62 h ARG 72 Ca 0.12 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.36 1x62 h ARG 72 Cb 0.72 0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.68 1x62 h ARG 72 CO 0.06 -0.02 -0.05 0.28 -1.07 0.00 0.00 179.97 179.16 1x62 h VAL 73 N -1.03 0.27 -3.45 2.04 2.07 -0.39 -3.38 116.25 112.38 1x62 h VAL 73 Ca -0.02 -0.02 -0.54 0.00 0.82 0.00 0.00 66.70 66.94 1x62 h VAL 73 Cb 0.29 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1x62 h VAL 73 CO 0.04 0.01 0.27 -0.55 0.02 0.00 0.00 177.57 177.36 1x62 s SER 74 N -5.19 7.31 0.00 0.57 0.15 -0.88 -4.19 113.70 111.47 1x62 s SER 74 Ca -0.14 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1x62 s SER 74 Cb 0.23 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 1x62 s SER 74 CO 0.76 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.69 1x62 n GLY 75 N 2.64 -0.53 0.17 9.45 0.00 -1.26 -4.79 105.19 110.87 1x62 n GLY 75 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1x62 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x62 h PRO 76 N 0.00 0.03 -7.66 1.61 0.13 -1.92 -3.45 132.00 120.74 1x62 h PRO 76 Ca 0.00 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.66 1x62 h PRO 76 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 1x62 h PRO 76 CO 0.00 0.51 0.38 -1.12 -0.23 0.00 0.00 178.00 177.54 1x62 s SER 77 N -6.89 3.82 0.11 1.44 0.01 -1.26 -5.03 113.70 105.89 1x62 s SER 77 Ca -0.02 0.41 -0.30 0.00 1.31 0.00 0.00 55.95 57.35 1x62 s SER 77 Cb 0.13 -0.68 -0.06 0.00 0.21 0.00 0.00 66.02 65.63 1x62 s SER 77 CO 0.75 -2.29 1.00 -0.94 0.41 0.00 0.00 173.24 172.16 1x62 s SER 78 N -4.74 7.43 0.00 2.44 1.04 -1.26 -4.95 113.70 113.66 1x62 s SER 78 Ca 0.68 1.83 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1x62 s SER 78 Cb -0.07 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1x62 s SER 78 CO 0.50 -0.13 0.48 0.61 0.98 0.00 0.00 173.24 175.68