#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 5.53 -1.38 1.61 1.04 -1.26 -4.50 113.70 114.75 1x62 s SER 2 Ca 0.00 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.45 1x62 s SER 2 Cb 0.00 -1.55 0.03 0.00 0.10 0.00 0.00 66.02 64.59 1x62 s SER 2 CO 0.00 0.27 1.08 -1.20 0.98 0.00 0.00 173.24 174.38 1x62 n SER 3 N 1.22 -5.08 -4.57 7.02 7.64 -1.26 -4.87 113.62 113.72 1x62 n SER 3 Ca -0.13 -0.63 -0.37 0.00 1.01 0.00 0.00 58.87 58.75 1x62 n SER 3 Cb 0.53 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.98 1x62 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x62 s GLY 4 N -3.53 0.97 0.10 0.23 0.00 -1.26 -4.89 107.32 98.93 1x62 s GLY 4 Ca 0.49 -2.20 -0.18 0.00 0.00 0.00 0.00 44.72 42.83 1x62 s GLY 4 CO 0.76 2.98 0.43 -0.45 0.00 0.00 0.00 173.10 176.81 1x62 s SER 5 N 5.71 -0.29 0.19 1.64 0.15 -1.26 -5.18 113.70 114.66 1x62 s SER 5 Ca 0.56 -0.19 -0.00 0.00 0.70 0.00 0.00 55.95 57.02 1x62 s SER 5 Cb -0.01 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1x62 s SER 5 CO -0.02 -0.81 0.09 -0.55 1.20 0.00 0.00 173.24 173.15 1x62 s SER 6 N -2.56 0.52 -0.62 5.45 0.15 -1.26 -4.96 113.70 110.43 1x62 s SER 6 Ca 0.00 -1.31 -0.03 0.00 0.70 0.00 0.00 55.95 55.31 1x62 s SER 6 Cb 0.01 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1x62 s SER 6 CO -0.09 -0.76 0.55 0.61 1.20 0.00 0.00 173.24 174.75 1x62 n GLY 7 N -0.26 -0.47 3.84 9.45 0.00 -1.26 -5.03 105.19 111.47 1x62 n GLY 7 Ca -0.01 0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1x62 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x62 s SER 8 N -3.13 2.85 0.22 1.61 0.01 -1.26 -5.02 113.70 108.98 1x62 s SER 8 Ca 0.24 0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.66 1x62 s SER 8 Cb -0.03 -0.65 -0.08 0.00 0.21 0.00 0.00 66.02 65.47 1x62 s SER 8 CO 0.46 -2.91 1.03 -0.63 0.41 0.00 0.00 173.24 171.60 1x62 s ILE 9 N -3.62 3.89 -0.34 1.44 1.09 -1.26 -4.94 121.20 117.47 1x62 s ILE 9 Ca 0.71 1.79 0.03 0.00 -1.10 0.00 0.00 60.65 62.09 1x62 s ILE 9 Cb -0.07 -4.14 0.21 0.00 -1.06 0.00 0.00 42.46 37.39 1x62 s ILE 9 CO 0.53 0.38 1.22 0.61 -0.10 0.00 0.00 174.94 177.58 1x62 n GLY 10 N 1.62 -0.75 3.19 6.18 0.00 -1.26 -5.14 105.19 109.04 1x62 n GLY 10 Ca -0.00 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 1x62 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x62 s ASN 11 N -0.35 -0.26 0.50 1.61 0.01 -1.26 -5.14 114.94 110.05 1x62 s ASN 11 Ca 0.13 0.81 -0.23 0.00 -0.71 0.00 0.00 52.86 52.86 1x62 s ASN 11 Cb 0.19 0.86 -0.07 0.00 0.41 0.00 0.00 41.25 42.64 1x62 s ASN 11 CO -0.09 -0.21 1.23 0.00 -1.51 0.00 0.00 177.10 176.52 1x62 n ALA 12 N 4.75 1.13 -2.94 0.60 0.00 -1.26 -5.00 120.51 117.79 1x62 n ALA 12 Ca -0.17 0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1x62 n ALA 12 Cb 0.52 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1x62 n ALA 12 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1x62 s GLN 13 N -2.54 3.44 -0.17 0.00 0.00 -1.26 -5.01 119.66 114.12 1x62 s GLN 13 Ca 0.68 -0.63 0.16 0.00 -0.00 0.00 0.00 55.36 55.57 1x62 s GLN 13 Cb -0.46 -2.94 0.68 0.00 0.00 0.00 0.00 33.01 30.29 1x62 s GLN 13 CO 0.53 0.49 1.59 1.63 0.00 0.00 0.00 175.29 179.53 1x62 n LYS 14 N -0.80 3.91 -3.85 9.60 4.76 -1.26 -4.93 118.16 125.59 1x62 n LYS 14 Ca -0.07 -2.93 -0.13 0.00 -2.87 0.00 0.00 58.31 52.31 1x62 n LYS 14 Cb 0.55 -1.99 -0.14 0.00 -1.84 0.00 0.00 35.03 31.61 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x62 s LEU 15 N -2.44 1.75 -0.69 -0.35 1.43 -1.26 -5.10 118.68 112.03 1x62 s LEU 15 Ca 0.48 0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 1x62 s LEU 15 Cb 0.35 0.08 -0.03 0.00 0.03 0.00 0.00 46.19 46.62 1x62 s LEU 15 CO 0.16 -0.03 1.89 -2.16 0.23 0.00 0.00 176.35 176.44 1x62 s PRO 16 N 0.19 2.60 0.31 1.29 0.04 -1.26 -4.40 135.00 133.78 1x62 s PRO 16 Ca -0.02 0.37 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 1x62 s PRO 16 Cb -0.02 -4.57 -0.13 0.00 0.04 0.00 0.00 34.50 29.82 1x62 s PRO 16 CO -0.01 -2.91 1.24 0.00 0.04 0.00 0.00 177.00 175.36 1x62 n MET 17 N 9.10 1.92 -0.78 4.56 0.00 -1.26 -2.39 117.12 128.28 1x62 n MET 17 Ca 0.26 0.68 -0.33 0.00 0.00 0.00 0.00 57.70 58.30 1x62 n MET 17 Cb 0.51 -2.22 0.13 0.00 0.00 0.00 0.00 33.22 31.64 1x62 n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x62 n ASP 19 N -1.28 1.44 -0.01 0.00 2.03 -1.24 -2.91 116.55 114.59 1x62 n ASP 19 Ca 0.05 -0.07 -0.13 0.00 0.52 0.00 0.00 54.79 55.17 1x62 n ASP 19 Cb 0.55 0.24 -0.09 0.00 -0.72 0.00 0.00 41.12 41.10 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 0.00 0.03 0.00 -0.67 3.64 -1.90 -3.38 116.57 114.28 1x62 h LYS 20 Ca -0.50 -0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 58.51 1x62 h LYS 20 Cb 1.94 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.71 1x62 h LYS 20 CO -0.03 0.46 -2.00 0.00 -2.27 0.00 0.00 179.45 175.61 1x62 n GLY 22 N 1.33 0.86 3.20 0.00 0.00 -1.15 -5.02 105.19 104.41 1x62 n GLY 22 Ca -0.44 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.89 -0.01 -0.42 2.61 -4.23 -1.25 -4.80 115.64 105.65 1x62 s THR 23 Ca 0.00 0.05 -0.37 0.00 -1.18 0.00 0.00 61.69 60.19 1x62 s THR 23 Cb 0.00 -0.48 -0.16 0.00 1.34 0.00 0.00 72.50 73.20 1x62 s THR 23 CO 0.00 0.02 1.70 0.61 -0.54 0.00 0.00 174.62 176.42 1x62 n GLY 24 N 3.51 -0.08 3.58 3.99 0.00 -1.26 -0.36 105.19 114.57 1x62 n GLY 24 Ca -0.18 0.92 -0.41 0.00 0.00 0.00 0.00 46.02 46.34 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 4.56 3.49 -0.30 -0.61 1.01 -1.00 -4.79 121.20 123.56 1x62 s ILE 25 Ca 0.98 0.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.01 1x62 s ILE 25 Cb -1.25 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 37.41 1x62 s ILE 25 CO 0.57 -0.63 0.09 0.54 0.00 0.00 0.00 174.94 175.51 1x62 s VAL 26 N 7.45 4.01 0.00 2.92 0.11 -1.26 -4.42 120.40 129.20 1x62 s VAL 26 Ca 0.73 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1x62 s VAL 26 Cb -0.18 -3.07 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 1x62 s VAL 26 CO 0.29 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1x62 n GLY 27 N 4.87 1.09 3.64 6.54 0.00 -1.26 -4.98 105.19 115.09 1x62 n GLY 27 Ca -0.14 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 1x62 n GLY 27 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1x62 n VAL 28 N 0.00 3.40 -3.57 1.61 0.31 -1.26 -5.01 118.33 113.81 1x62 n VAL 28 Ca 0.00 -0.50 -0.10 0.00 -0.01 0.00 0.00 64.34 63.73 1x62 n VAL 28 Cb 0.00 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 1x62 n VAL 28 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1x62 s PHE 29 N -1.41 -0.36 -0.49 3.52 -0.12 -1.26 -4.47 117.98 113.39 1x62 s PHE 29 Ca 0.72 0.56 -0.14 0.00 -0.05 0.00 0.00 56.93 58.02 1x62 s PHE 29 Cb -0.45 0.46 0.11 0.00 -0.63 0.00 0.00 43.02 42.51 1x62 s PHE 29 CO 0.50 -0.37 0.41 0.08 -0.05 0.00 0.00 175.22 175.79 1x62 s VAL 30 N -1.44 4.89 -0.49 -2.49 1.01 0.86 -4.85 120.40 117.89 1x62 s VAL 30 Ca -0.00 -1.43 -0.27 0.00 0.00 0.00 0.00 61.98 60.28 1x62 s VAL 30 Cb -0.01 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1x62 s VAL 30 CO -0.00 -0.72 2.13 -0.75 0.00 0.00 0.00 175.10 175.76 1x62 s LYS 31 N 1.54 2.51 0.68 2.72 2.36 -1.26 -2.73 119.74 125.56 1x62 s LYS 31 Ca 0.04 1.19 -0.08 0.00 -2.55 0.00 0.00 55.97 54.56 1x62 s LYS 31 Cb -0.27 -4.45 0.04 0.00 -1.05 0.00 0.00 37.83 32.09 1x62 s LYS 31 CO 0.03 -2.83 1.02 -0.51 1.55 0.00 0.00 175.35 174.61 1x62 s LEU 32 N 10.17 2.93 0.00 5.43 1.43 0.21 -4.99 118.68 133.87 1x62 s LEU 32 Ca 0.85 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1x62 s LEU 32 Cb -0.17 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1x62 s LEU 32 CO 0.26 -1.40 0.42 -1.14 0.23 0.00 0.00 176.35 174.72 1x62 n ARG 33 N -2.88 0.00 -0.03 1.70 0.63 -1.26 -3.04 116.66 111.77 1x62 n ARG 33 Ca 0.07 0.42 0.01 0.00 -0.92 0.00 0.00 57.85 57.43 1x62 n ARG 33 Cb 0.59 -0.72 0.03 0.00 0.45 0.00 0.00 32.46 32.81 1x62 n ARG 33 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x62 n ASP 34 N -1.51 2.07 -4.18 6.15 2.03 -1.26 -5.04 116.55 114.81 1x62 n ASP 34 Ca 0.00 -1.88 -0.25 0.00 0.52 0.00 0.00 54.79 53.18 1x62 n ASP 34 Cb 0.00 -0.04 -0.08 0.00 -0.72 0.00 0.00 41.12 40.27 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1x62 s ARG 35 N -0.89 1.90 -0.12 -0.67 1.81 -1.17 -5.16 118.95 114.64 1x62 s ARG 35 Ca 0.05 -2.15 -0.05 0.00 -1.72 0.00 0.00 55.73 51.86 1x62 s ARG 35 Cb 0.03 -0.66 0.06 0.00 -0.45 0.00 0.00 34.95 33.93 1x62 s ARG 35 CO 0.03 -0.44 0.25 -1.01 -0.68 0.00 0.00 175.30 173.45 1x62 s HIS 36 N -3.22 -0.39 0.32 -0.53 3.76 -1.26 0.64 115.29 114.60 1x62 s HIS 36 Ca 0.25 0.92 0.08 0.00 -0.15 0.00 0.00 55.06 56.15 1x62 s HIS 36 Cb 0.03 -0.06 -0.06 0.00 1.11 0.00 0.00 32.58 33.60 1x62 s HIS 36 CO 0.14 -0.34 -0.07 1.03 -0.85 0.00 0.00 174.74 174.65 1x62 s ARG 37 N 2.34 1.69 0.76 1.40 0.52 -1.10 -3.59 118.95 120.96 1x62 s ARG 37 Ca 0.01 -1.87 -0.11 0.00 -0.52 0.00 0.00 55.73 53.24 1x62 s ARG 37 Cb -0.12 -1.42 0.05 0.00 0.52 0.00 0.00 34.95 33.98 1x62 s ARG 37 CO -0.08 0.08 1.09 -1.01 0.02 0.00 0.00 175.30 175.40 1x62 s HIS 38 N -2.82 2.58 -1.46 -0.53 3.76 -1.26 -0.10 115.29 115.46 1x62 s HIS 38 Ca 0.31 1.56 0.15 0.00 -0.15 0.00 0.00 55.06 56.93 1x62 s HIS 38 Cb 0.03 -3.07 0.75 0.00 1.11 0.00 0.00 32.58 31.41 1x62 s HIS 38 CO 0.14 -1.79 1.40 -0.35 -0.85 0.00 0.00 174.74 173.29 1x62 n PRO 39 N -3.38 0.22 -0.01 8.40 -0.04 -1.26 -2.45 135.00 136.48 1x62 n PRO 39 Ca 0.09 0.14 -0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1x62 n PRO 39 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.27 2.04 0.00 0.54 0.28 -1.26 -4.56 120.64 116.41 1x62 n GLU 40 Ca 0.07 -0.01 0.15 0.00 -0.16 0.00 0.00 57.16 57.21 1x62 n GLU 40 Cb 0.11 -1.08 0.69 0.00 1.43 0.00 0.00 31.44 32.59 1x62 n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x62 n TYR 42 N -0.41 0.00 -1.92 0.00 9.36 -1.03 -4.82 117.16 118.34 1x62 n TYR 42 Ca 0.20 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.10 1x62 n TYR 42 Cb 0.26 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.99 1x62 n TYR 42 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1x62 s VAL 43 N -2.00 3.94 0.98 2.97 -7.23 -1.25 -3.67 120.40 114.14 1x62 s VAL 43 Ca 0.04 0.82 -0.14 0.00 -1.81 0.00 0.00 61.98 60.90 1x62 s VAL 43 Cb 0.02 -3.42 0.04 0.00 0.56 0.00 0.00 36.38 33.58 1x62 s VAL 43 CO 0.03 -0.64 0.32 0.00 -0.31 0.00 0.00 175.10 174.51 1x62 n THR 45 N -3.70 1.67 0.05 0.00 -1.04 -1.17 -3.23 114.28 106.87 1x62 n THR 45 Ca 0.06 -0.69 -0.02 0.00 -2.04 0.00 0.00 64.05 61.36 1x62 n THR 45 Cb 0.55 -1.43 -0.01 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.04 -0.12 0.00 8.00 1.82 -1.93 -3.41 116.42 120.82 1x62 h ASP 46 Ca -0.43 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.19 1x62 h ASP 46 Cb 2.02 0.03 -0.00 0.00 0.68 0.00 0.00 39.33 42.06 1x62 h ASP 46 CO 0.05 -0.06 -0.44 0.00 -1.61 0.00 0.00 179.24 177.19 1x62 n GLY 48 N 1.64 0.70 3.61 0.00 0.00 -1.20 -4.97 105.19 104.96 1x62 n GLY 48 Ca -0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.59 3.57 -0.19 2.61 -1.32 -1.26 -4.66 115.64 113.80 1x62 s THR 49 Ca 0.00 -1.15 -0.28 0.00 -1.21 0.00 0.00 61.69 59.05 1x62 s THR 49 Cb 0.00 -2.67 -0.06 0.00 -1.51 0.00 0.00 72.50 68.27 1x62 s THR 49 CO 0.00 0.14 2.20 0.59 -2.21 0.00 0.00 174.62 175.34 1x62 n ASN 50 N 0.74 3.34 -0.61 8.08 4.13 -1.26 -1.28 115.26 128.40 1x62 n ASN 50 Ca -0.13 0.27 0.05 0.00 1.68 0.00 0.00 54.58 56.45 1x62 n ASN 50 Cb 0.52 -1.55 0.14 0.00 -1.54 0.00 0.00 39.78 37.35 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 11.27 1.76 0.03 3.41 4.77 -1.24 -4.31 117.00 132.69 1x62 n LEU 51 Ca 0.29 -0.88 -0.13 0.00 -0.03 0.00 0.00 56.01 55.27 1x62 n LEU 51 Cb 0.44 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1x62 n LEU 51 CO 0.66 0.41 0.59 0.50 -1.33 0.00 0.00 177.39 178.23 1x62 h LYS 52 N 1.80 -0.50 0.00 3.23 3.64 -1.87 0.12 116.57 122.98 1x62 h LYS 52 Ca 0.00 0.03 -0.28 0.00 -1.27 0.00 0.00 60.65 59.14 1x62 h LYS 52 Cb 0.47 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1x62 h LYS 52 CO 0.02 -0.33 -1.54 1.04 -2.27 0.00 0.00 179.45 176.36 1x62 n GLN 53 N -5.44 0.57 -0.16 1.90 6.02 -1.26 -4.40 117.38 114.60 1x62 n GLN 53 Ca -0.05 0.50 -0.02 0.00 -0.01 0.00 0.00 57.00 57.42 1x62 n GLN 53 Cb 0.36 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 29.99 1x62 n GLN 53 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1x62 h LYS 54 N -1.00 0.06 0.00 -1.09 1.57 -1.75 -3.48 116.57 110.88 1x62 h LYS 54 Ca -0.42 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1x62 h LYS 54 Cb 1.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1x62 h LYS 54 CO -0.26 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.08 1x62 n GLY 55 N -1.34 2.37 3.23 3.86 0.00 0.41 -4.78 105.19 108.93 1x62 n GLY 55 Ca 0.05 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.50 1.18 0.33 1.61 -3.43 -1.26 -4.04 115.29 107.19 1x62 s HIS 56 Ca 0.00 -0.76 0.06 0.00 -0.80 0.00 0.00 55.06 53.56 1x62 s HIS 56 Cb 0.00 -0.62 -0.07 0.00 -1.43 0.00 0.00 32.58 30.47 1x62 s HIS 56 CO 0.00 0.04 -0.02 -0.06 -2.00 0.00 0.00 174.74 172.70 1x62 s PHE 57 N -3.23 2.17 -0.33 0.38 0.40 -0.58 -4.91 117.98 111.88 1x62 s PHE 57 Ca 0.14 -0.72 -0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1x62 s PHE 57 Cb 0.02 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.22 1x62 s PHE 57 CO -0.00 0.31 0.10 -0.06 0.70 0.00 0.00 175.22 176.27 1x62 s PHE 58 N -2.94 3.23 -0.10 0.36 0.08 -1.26 -3.30 117.98 114.05 1x62 s PHE 58 Ca 0.33 -1.32 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 1x62 s PHE 58 Cb 0.06 -2.28 0.05 0.00 -0.57 0.00 0.00 43.02 40.28 1x62 s PHE 58 CO 0.15 -0.70 0.09 0.08 -0.10 0.00 0.00 175.22 174.75 1x62 s VAL 59 N 1.43 -0.14 -1.40 -0.44 1.01 -0.93 -4.86 120.40 115.06 1x62 s VAL 59 Ca -0.01 0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1x62 s VAL 59 Cb -0.19 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1x62 s VAL 59 CO 0.03 -0.00 1.09 -0.62 0.00 0.00 0.00 175.10 175.60 1x62 n GLU 60 N 5.30 -7.00 -2.58 2.72 1.02 -1.26 -1.28 120.64 117.56 1x62 n GLU 60 Ca -0.05 0.75 -0.19 0.00 -0.02 0.00 0.00 57.16 57.65 1x62 n GLU 60 Cb 0.50 -5.73 0.01 0.00 -0.02 0.00 0.00 31.44 26.19 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 -2.97 -5.52 -3.98 1.62 2.03 -1.26 -4.98 116.55 101.48 1x62 n ASP 61 Ca -0.01 -0.11 -0.24 0.00 0.52 0.00 0.00 54.79 54.95 1x62 n ASP 61 Cb 0.56 -4.49 -0.08 0.00 -0.72 0.00 0.00 41.12 36.39 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 -5.18 1.85 -0.00 -0.67 -1.52 -0.40 -5.16 119.66 108.58 1x62 s GLN 62 Ca 0.11 -2.11 0.06 0.00 -1.95 0.00 0.00 55.36 51.46 1x62 s GLN 62 Cb -0.05 -0.39 -0.02 0.00 -0.22 0.00 0.00 33.01 32.34 1x62 s GLN 62 CO 0.13 -0.50 -0.19 0.96 -0.25 0.00 0.00 175.29 175.44 1x62 s ILE 63 N -3.30 1.48 0.19 1.08 -4.36 -1.26 -2.20 121.20 112.82 1x62 s ILE 63 Ca 0.28 -0.88 -0.10 0.00 -0.26 0.00 0.00 60.65 59.70 1x62 s ILE 63 Cb 0.03 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.49 1x62 s ILE 63 CO 0.17 0.35 0.33 -0.31 0.24 0.00 0.00 174.94 175.73 1x62 s TYR 64 N -0.52 0.39 0.30 1.37 2.02 -1.21 -3.02 117.35 116.69 1x62 s TYR 64 Ca 0.07 -0.74 -0.26 0.00 -0.37 0.00 0.00 57.07 55.77 1x62 s TYR 64 Cb -0.07 0.00 -0.10 0.00 -0.40 0.00 0.00 41.96 41.39 1x62 s TYR 64 CO -0.00 -0.79 0.92 0.00 -1.57 0.00 0.00 175.55 174.12 1x62 n GLU 66 N 0.68 -0.06 0.15 0.00 2.13 -1.26 0.19 120.64 122.47 1x62 n GLU 66 Ca 0.01 1.15 -0.10 0.00 0.66 0.00 0.00 57.16 58.88 1x62 n GLU 66 Cb 0.50 -1.85 -0.06 0.00 0.27 0.00 0.00 31.44 30.30 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 -0.53 0.49 5.31 3.64 -1.95 -2.38 116.57 121.16 1x62 h LYS 67 Ca 0.50 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.89 1x62 h LYS 67 Cb 1.07 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1x62 h LYS 67 CO -0.71 -0.35 -0.24 0.45 -2.27 0.00 0.00 179.45 176.33 1x62 h HIS 68 N -0.55 -0.61 -0.68 1.91 3.86 -0.99 -3.04 115.15 115.05 1x62 h HIS 68 Ca -0.03 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1x62 h HIS 68 Cb 0.49 0.20 -0.12 0.00 1.06 0.00 0.00 27.41 29.04 1x62 h HIS 68 CO -0.22 -0.36 -0.21 0.00 0.86 0.00 0.00 177.93 178.00 1x62 n ALA 69 N -2.40 0.05 -0.08 2.45 0.00 0.13 0.17 120.51 120.82 1x62 n ALA 69 Ca -0.12 0.72 -0.07 0.00 0.00 0.00 0.00 53.44 53.97 1x62 n ALA 69 Cb 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1x62 n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x62 h ARG 70 N 0.00 0.17 -0.98 0.00 3.08 -1.31 -0.14 114.38 115.21 1x62 h ARG 70 Ca 0.29 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.39 1x62 h ARG 70 Cb 0.46 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1x62 h ARG 70 CO -0.69 0.11 0.62 0.93 -1.07 0.00 0.00 179.97 179.87 1x62 h GLU 71 N 0.17 1.09 -0.06 0.04 5.08 0.18 0.22 114.58 121.31 1x62 h GLU 71 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1x62 h GLU 71 Cb 0.15 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1x62 h GLU 71 CO -0.19 0.72 -0.00 0.00 -1.00 0.00 0.00 179.01 178.54 1x62 h ARG 72 N 1.13 0.10 0.63 2.33 3.08 -0.34 -3.30 114.38 118.00 1x62 h ARG 72 Ca 0.43 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 1x62 h ARG 72 Cb 0.19 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1x62 h ARG 72 CO -0.18 0.39 -0.30 0.28 -1.07 0.00 0.00 179.97 179.09 1x62 h VAL 73 N -0.20 0.31 -3.41 2.04 2.07 -0.62 -3.40 116.25 113.04 1x62 h VAL 73 Ca 0.02 -0.19 -0.73 0.00 0.82 0.00 0.00 66.70 66.62 1x62 h VAL 73 Cb 0.35 0.37 -0.22 0.00 -1.52 0.00 0.00 31.29 30.27 1x62 h VAL 73 CO 0.00 0.02 -0.39 -0.44 0.02 0.00 0.00 177.57 176.79 1x62 s SER 74 N -4.52 6.10 0.00 0.57 0.01 0.75 -4.97 113.70 111.65 1x62 s SER 74 Ca -0.16 -1.11 0.00 0.00 1.31 0.00 0.00 55.95 55.99 1x62 s SER 74 Cb 0.03 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1x62 s SER 74 CO 0.56 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1x62 n GLY 75 N 5.17 4.28 3.77 3.44 0.00 -1.25 -4.42 105.19 116.17 1x62 n GLY 75 Ca -0.12 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 1x62 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x62 s PRO 76 N -2.98 4.17 0.06 1.61 0.04 -1.26 -4.92 135.00 131.71 1x62 s PRO 76 Ca 0.00 1.94 -0.33 0.00 0.04 0.00 0.00 61.00 62.65 1x62 s PRO 76 Cb 0.00 -2.82 -0.19 0.00 0.04 0.00 0.00 34.50 31.54 1x62 s PRO 76 CO 0.00 -0.25 1.53 0.77 0.04 0.00 0.00 177.00 179.09 1x62 h SER 77 N 2.92 -0.82 -2.04 6.66 0.02 -1.94 -3.43 113.55 114.92 1x62 h SER 77 Ca -0.49 0.01 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 1x62 h SER 77 Cb 1.23 0.21 0.05 0.00 0.14 0.00 0.00 62.40 64.04 1x62 h SER 77 CO 0.64 -0.55 0.70 -1.54 -1.14 0.00 0.00 176.83 174.94 1x62 n SER 78 N -5.48 2.60 0.00 3.07 3.41 -1.26 -5.15 113.62 110.81 1x62 n SER 78 Ca -0.14 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1x62 n SER 78 Cb 0.39 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1x62 n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49