#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 0.25 0.22 1.61 0.01 -1.26 -5.17 113.70 109.35 1x62 s SER 2 Ca 0.00 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.46 1x62 s SER 2 Cb 0.00 0.22 0.01 0.00 0.21 0.00 0.00 66.02 66.46 1x62 s SER 2 CO 0.00 -0.53 0.50 -0.55 0.41 0.00 0.00 173.24 173.07 1x62 s SER 3 N -2.31 -0.17 0.00 2.44 0.15 -1.26 -5.18 113.70 107.37 1x62 s SER 3 Ca -0.02 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1x62 s SER 3 Cb 0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1x62 s SER 3 CO -0.06 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 173.90 1x62 n GLY 4 N -0.35 0.83 3.05 9.45 0.00 -1.26 -5.13 105.19 111.77 1x62 n GLY 4 Ca -0.06 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 1x62 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x62 s SER 5 N 0.00 3.99 0.39 1.61 0.01 -1.26 -5.12 113.70 113.32 1x62 s SER 5 Ca 0.00 -1.17 0.08 0.00 1.31 0.00 0.00 55.95 56.17 1x62 s SER 5 Cb 0.00 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 1x62 s SER 5 CO 0.00 -0.16 0.20 -0.44 0.41 0.00 0.00 173.24 173.25 1x62 s SER 6 N 1.22 4.62 0.00 2.44 0.01 -1.26 -5.12 113.70 115.62 1x62 s SER 6 Ca -0.05 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.30 1x62 s SER 6 Cb -0.18 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1x62 s SER 6 CO -0.07 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1x62 n GLY 7 N -1.26 4.43 3.34 3.44 0.00 -1.26 -5.17 105.19 108.72 1x62 n GLY 7 Ca -0.01 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 -0.33 -0.15 1.61 0.01 -1.26 -5.16 113.70 108.42 1x62 s SER 8 Ca 0.00 0.05 -0.10 0.00 1.31 0.00 0.00 55.95 57.22 1x62 s SER 8 Cb 0.00 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 1x62 s SER 8 CO 0.00 -0.68 0.17 0.27 0.41 0.00 0.00 173.24 173.41 1x62 s ILE 9 N -2.47 5.41 0.00 1.44 -4.36 -1.26 -4.87 121.20 115.10 1x62 s ILE 9 Ca -0.05 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 1x62 s ILE 9 Cb -0.01 -3.48 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1x62 s ILE 9 CO -0.02 0.51 0.00 0.61 0.24 0.00 0.00 174.94 176.28 1x62 n GLY 10 N 2.83 0.98 3.42 6.27 0.00 -1.26 -4.92 105.19 112.51 1x62 n GLY 10 Ca -0.17 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.00 3.57 -0.11 1.61 4.22 -1.26 -5.12 114.94 113.85 1x62 s ASN 11 Ca 0.00 -0.51 -0.14 0.00 -2.14 0.00 0.00 52.86 50.07 1x62 s ASN 11 Cb 0.00 -0.48 -0.05 0.00 1.28 0.00 0.00 41.25 42.00 1x62 s ASN 11 CO 0.00 0.25 0.34 0.00 -2.04 0.00 0.00 177.10 175.65 1x62 s ALA 12 N -0.91 3.61 -0.13 3.54 0.00 -1.26 -5.06 121.76 121.55 1x62 s ALA 12 Ca 0.14 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1x62 s ALA 12 Cb -0.10 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1x62 s ALA 12 CO 0.05 0.20 -0.20 -1.14 0.00 0.00 0.00 175.76 174.66 1x62 s GLN 13 N 0.05 3.11 -0.11 0.00 -0.44 -1.26 -5.12 119.66 115.89 1x62 s GLN 13 Ca 0.20 -0.82 0.00 0.00 -2.50 0.00 0.00 55.36 52.24 1x62 s GLN 13 Cb -0.14 -2.47 -0.02 0.00 -1.64 0.00 0.00 33.01 28.74 1x62 s GLN 13 CO 0.07 0.05 -0.12 0.15 0.50 0.00 0.00 175.29 175.95 1x62 s LYS 14 N 0.68 3.20 0.79 1.67 1.02 -1.26 -5.11 119.74 120.73 1x62 s LYS 14 Ca -0.09 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.12 1x62 s LYS 14 Cb -0.16 -2.61 0.07 0.00 -0.52 0.00 0.00 37.83 34.62 1x62 s LYS 14 CO 0.02 0.33 1.12 -0.51 -0.92 0.00 0.00 175.35 175.38 1x62 s LEU 15 N 0.06 3.06 -0.33 3.17 2.01 -1.26 -4.92 118.68 120.47 1x62 s LEU 15 Ca -0.04 2.01 -0.29 0.00 0.01 0.00 0.00 54.13 55.82 1x62 s LEU 15 Cb -0.14 -4.55 -0.01 0.00 0.01 0.00 0.00 46.19 41.50 1x62 s LEU 15 CO 0.04 -2.32 1.69 -2.16 1.01 0.00 0.00 176.35 174.61 1x62 s PRO 16 N -4.61 3.46 0.07 1.29 0.04 -1.26 -4.43 135.00 129.57 1x62 s PRO 16 Ca 0.65 1.37 -0.35 0.00 0.04 0.00 0.00 61.00 62.71 1x62 s PRO 16 Cb -0.21 -4.13 -0.15 0.00 0.04 0.00 0.00 34.50 30.05 1x62 s PRO 16 CO 0.53 -1.70 1.53 -1.33 0.04 0.00 0.00 177.00 176.07 1x62 n MET 17 N 8.23 1.69 -1.75 4.56 2.81 -1.26 -2.55 117.12 128.85 1x62 n MET 17 Ca 0.21 0.61 -0.39 0.00 -1.81 0.00 0.00 57.70 56.32 1x62 n MET 17 Cb 0.47 -2.33 0.03 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 h ASP 19 N 1.78 0.00 0.52 0.00 3.32 -1.80 -2.54 116.42 117.69 1x62 h ASP 19 Ca -0.51 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.52 1x62 h ASP 19 Cb 1.29 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 1x62 h ASP 19 CO 0.59 0.97 -0.25 0.50 -1.72 0.00 0.00 179.24 179.33 1x62 h LYS 20 N 0.00 -0.67 0.00 3.56 1.63 -1.90 -3.43 116.57 115.76 1x62 h LYS 20 Ca -0.09 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1x62 h LYS 20 Cb 1.82 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.60 1x62 h LYS 20 CO 0.11 -0.42 -0.23 0.00 -3.45 0.00 0.00 179.45 175.45 1x62 n GLY 22 N 1.54 0.50 2.90 0.00 0.00 -0.96 -4.97 105.19 104.20 1x62 n GLY 22 Ca -0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.18 -0.46 2.61 -4.23 -1.26 -4.73 115.64 107.74 1x62 s THR 23 Ca 0.00 -0.08 -0.42 0.00 -1.18 0.00 0.00 61.69 60.01 1x62 s THR 23 Cb 0.00 -0.17 -0.17 0.00 1.34 0.00 0.00 72.50 73.50 1x62 s THR 23 CO 0.00 0.06 2.14 0.61 -0.54 0.00 0.00 174.62 176.89 1x62 n GLY 24 N 3.14 0.01 3.56 3.99 0.00 -1.26 -2.25 105.19 112.38 1x62 n GLY 24 Ca -0.14 1.07 -0.39 0.00 0.00 0.00 0.00 46.02 46.56 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 6.26 3.35 -0.39 -0.61 1.01 -1.06 -4.91 121.20 124.84 1x62 s ILE 25 Ca 1.17 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 61.96 1x62 s ILE 25 Cb -1.34 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 37.38 1x62 s ILE 25 CO 0.62 -0.72 0.23 0.54 0.00 0.00 0.00 174.94 175.62 1x62 s VAL 26 N 8.95 4.54 0.00 2.92 0.11 -1.26 -4.42 120.40 131.24 1x62 s VAL 26 Ca 0.73 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1x62 s VAL 26 Cb -0.15 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1x62 s VAL 26 CO 0.24 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 1x62 n GLY 27 N 4.99 -0.59 3.68 6.54 0.00 -1.26 -5.01 105.19 113.54 1x62 n GLY 27 Ca -0.11 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 1x62 n GLY 27 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1x62 n VAL 28 N 0.00 1.70 -3.72 1.61 3.14 -1.26 -4.99 118.33 114.81 1x62 n VAL 28 Ca 0.00 -0.43 -0.09 0.00 -2.96 0.00 0.00 64.34 60.86 1x62 n VAL 28 Cb 0.00 -1.51 -0.03 0.00 -1.06 0.00 0.00 33.84 31.25 1x62 n VAL 28 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1x62 s PHE 29 N -0.80 -0.24 -0.47 1.45 -0.12 -1.26 -4.16 117.98 112.38 1x62 s PHE 29 Ca 0.59 -0.12 -0.13 0.00 -0.05 0.00 0.00 56.93 57.22 1x62 s PHE 29 Cb -0.60 0.57 0.09 0.00 -0.63 0.00 0.00 43.02 42.45 1x62 s PHE 29 CO 0.58 -1.05 0.38 0.08 -0.05 0.00 0.00 175.22 175.16 1x62 s VAL 30 N -3.87 4.89 -0.35 -2.49 1.01 0.04 -4.80 120.40 114.84 1x62 s VAL 30 Ca 0.08 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 1x62 s VAL 30 Cb -0.03 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1x62 s VAL 30 CO -0.00 -0.63 1.32 -0.75 0.00 0.00 0.00 175.10 175.03 1x62 s LYS 31 N 1.56 3.79 0.68 2.72 2.36 -1.26 -2.13 119.74 127.46 1x62 s LYS 31 Ca 0.04 1.08 -0.10 0.00 -2.55 0.00 0.00 55.97 54.44 1x62 s LYS 31 Cb -0.25 -3.93 0.02 0.00 -1.05 0.00 0.00 37.83 32.62 1x62 s LYS 31 CO 0.04 -1.28 1.05 -0.51 1.55 0.00 0.00 175.35 176.20 1x62 s LEU 32 N 4.71 2.95 0.00 5.43 1.43 0.20 -4.98 118.68 128.42 1x62 s LEU 32 Ca 0.57 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 1x62 s LEU 32 Cb -0.15 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1x62 s LEU 32 CO 0.27 -1.33 0.50 0.54 0.23 0.00 0.00 176.35 176.56 1x62 n ARG 33 N -2.92 0.00 -0.02 1.70 1.74 -1.26 -2.95 116.66 112.95 1x62 n ARG 33 Ca 0.06 0.50 0.01 0.00 -0.77 0.00 0.00 57.85 57.65 1x62 n ARG 33 Cb 0.58 -0.80 0.02 0.00 -1.02 0.00 0.00 32.46 31.24 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1x62 n ASP 34 N -1.98 1.70 -4.57 0.55 8.00 -1.26 -5.04 116.55 113.95 1x62 n ASP 34 Ca 0.00 -1.55 -0.29 0.00 0.71 0.00 0.00 54.79 53.66 1x62 n ASP 34 Cb 0.00 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x62 s ARG 35 N -0.60 2.00 0.02 -1.24 1.81 -1.15 -5.16 118.95 114.63 1x62 s ARG 35 Ca 0.04 -2.20 0.03 0.00 -1.72 0.00 0.00 55.73 51.87 1x62 s ARG 35 Cb 0.02 -1.32 -0.02 0.00 -0.45 0.00 0.00 34.95 33.18 1x62 s ARG 35 CO 0.03 -0.26 -0.09 -1.01 -0.68 0.00 0.00 175.30 173.29 1x62 s HIS 36 N -2.94 0.81 0.10 -0.53 3.76 -1.26 0.59 115.29 115.82 1x62 s HIS 36 Ca 0.22 -0.30 -0.12 0.00 -0.15 0.00 0.00 55.06 54.71 1x62 s HIS 36 Cb 0.05 -0.50 0.01 0.00 1.11 0.00 0.00 32.58 33.26 1x62 s HIS 36 CO 0.11 -0.02 0.28 1.03 -0.85 0.00 0.00 174.74 175.29 1x62 s ARG 37 N -0.88 0.93 0.89 1.40 0.52 -0.91 -2.30 118.95 118.60 1x62 s ARG 37 Ca -0.01 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.25 1x62 s ARG 37 Cb -0.06 0.39 0.12 0.00 0.52 0.00 0.00 34.95 35.92 1x62 s ARG 37 CO 0.00 -0.33 1.09 -1.01 0.02 0.00 0.00 175.30 175.08 1x62 s HIS 38 N -3.77 2.26 -0.60 -0.53 3.76 -1.26 -0.78 115.29 114.37 1x62 s HIS 38 Ca 0.04 1.36 0.21 0.00 -0.15 0.00 0.00 55.06 56.52 1x62 s HIS 38 Cb 0.03 -3.15 0.90 0.00 1.11 0.00 0.00 32.58 31.47 1x62 s HIS 38 CO -0.11 -2.39 1.65 -0.35 -0.85 0.00 0.00 174.74 172.69 1x62 n PRO 39 N -3.90 0.15 -0.02 8.40 -0.04 -1.26 -2.58 135.00 135.75 1x62 n PRO 39 Ca 0.08 0.39 -0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1x62 n PRO 39 Cb 0.54 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.07 1.67 0.00 0.54 0.28 -1.26 -4.50 120.64 115.30 1x62 n GLU 40 Ca 0.02 -0.03 0.14 0.00 -0.16 0.00 0.00 57.16 57.14 1x62 n GLU 40 Cb 0.21 -1.17 0.74 0.00 1.43 0.00 0.00 31.44 32.65 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 -1.29 0.00 -2.22 0.00 9.36 -1.07 -4.80 117.16 117.15 1x62 n TYR 42 Ca 0.14 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.05 1x62 n TYR 42 Cb 0.24 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.93 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 4.64 0.74 2.97 -7.23 -1.22 -3.88 120.40 114.42 1x62 s VAL 43 Ca 0.03 0.98 -0.16 0.00 -1.81 0.00 0.00 61.98 61.03 1x62 s VAL 43 Cb 0.01 -3.79 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 1x62 s VAL 43 CO 0.02 -0.88 0.73 0.00 -0.31 0.00 0.00 175.10 174.67 1x62 h THR 45 N -0.42 1.01 0.23 0.00 2.02 -1.87 -3.01 112.91 110.87 1x62 h THR 45 Ca -0.46 -2.75 -0.01 0.00 0.77 0.00 0.00 66.41 63.96 1x62 h THR 45 Cb 1.34 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 1x62 h THR 45 CO 0.44 0.73 -0.11 -0.78 0.37 0.00 0.00 175.52 176.17 1x62 h ASP 46 N 0.04 -0.27 0.00 4.18 3.58 -1.92 -3.42 116.42 118.61 1x62 h ASP 46 Ca -0.27 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.19 1x62 h ASP 46 Cb 1.99 0.07 0.00 0.00 1.72 0.00 0.00 39.33 43.11 1x62 h ASP 46 CO 0.12 -0.12 -0.52 0.00 -2.88 0.00 0.00 179.24 175.84 1x62 n GLY 48 N 1.58 0.73 3.71 0.00 0.00 -1.14 -4.95 105.19 105.12 1x62 n GLY 48 Ca -0.07 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.22 4.19 -0.26 2.61 -1.32 -1.26 -4.67 115.64 114.71 1x62 s THR 49 Ca 0.00 -0.83 -0.29 0.00 -1.21 0.00 0.00 61.69 59.36 1x62 s THR 49 Cb 0.00 -2.97 -0.06 0.00 -1.51 0.00 0.00 72.50 67.96 1x62 s THR 49 CO 0.00 0.19 2.24 0.59 -2.21 0.00 0.00 174.62 175.43 1x62 n ASN 50 N 0.75 3.01 -0.81 8.08 4.13 -1.26 -2.36 115.26 126.81 1x62 n ASN 50 Ca -0.11 0.17 0.04 0.00 1.68 0.00 0.00 54.58 56.36 1x62 n ASN 50 Cb 0.52 -1.52 0.15 0.00 -1.54 0.00 0.00 39.78 37.39 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 11.82 2.26 0.11 3.41 4.77 -1.25 -4.29 117.00 133.82 1x62 n LEU 51 Ca 0.32 -1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 55.04 1x62 n LEU 51 Cb 0.42 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1x62 n LEU 51 CO 0.68 0.40 0.70 0.50 -1.33 0.00 0.00 177.39 178.34 1x62 h LYS 52 N 1.71 -0.44 0.00 3.23 1.63 -1.87 -1.87 116.57 118.96 1x62 h LYS 52 Ca 0.00 0.03 -0.37 0.00 -0.85 0.00 0.00 60.65 59.46 1x62 h LYS 52 Cb 0.74 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.42 1x62 h LYS 52 CO 0.10 -0.29 -2.02 1.04 -3.45 0.00 0.00 179.45 174.83 1x62 n GLN 53 N -5.37 0.59 -0.07 1.90 6.02 -1.26 -4.53 117.38 114.66 1x62 n GLN 53 Ca -0.06 0.39 -0.11 0.00 -0.01 0.00 0.00 57.00 57.20 1x62 n GLN 53 Cb 0.28 -1.60 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 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 -0.94 -0.37 0.00 -1.09 1.57 -1.75 -3.48 116.57 110.51 1x62 h LYS 54 Ca -0.55 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1x62 h LYS 54 Cb 1.51 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1x62 h LYS 54 CO -0.32 -0.25 0.00 0.41 -0.57 0.00 0.00 179.45 178.73 1x62 n GLY 55 N -1.42 3.24 3.57 3.86 0.00 -0.70 -4.86 105.19 108.88 1x62 n GLY 55 Ca -0.02 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.54 2.64 0.33 1.61 -3.43 -1.26 -4.07 115.29 108.57 1x62 s HIS 56 Ca 0.00 -0.22 0.08 0.00 -0.80 0.00 0.00 55.06 54.12 1x62 s HIS 56 Cb 0.00 -1.30 -0.07 0.00 -1.43 0.00 0.00 32.58 29.78 1x62 s HIS 56 CO 0.00 0.50 -0.05 -0.06 -2.00 0.00 0.00 174.74 173.13 1x62 s PHE 57 N -1.64 2.25 -0.30 0.38 0.40 -0.44 -4.93 117.98 113.69 1x62 s PHE 57 Ca 0.24 -0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1x62 s PHE 57 Cb -0.09 -1.36 0.04 0.00 0.51 0.00 0.00 43.02 42.13 1x62 s PHE 57 CO 0.15 0.42 0.02 -0.06 0.70 0.00 0.00 175.22 176.45 1x62 s PHE 58 N -2.81 3.24 -0.05 0.36 0.08 -1.26 -3.27 117.98 114.26 1x62 s PHE 58 Ca 0.32 -1.70 -0.02 0.00 0.12 0.00 0.00 56.93 55.65 1x62 s PHE 58 Cb 0.05 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1x62 s PHE 58 CO 0.15 -0.77 0.10 0.08 -0.10 0.00 0.00 175.22 174.68 1x62 s VAL 59 N 1.30 -0.15 -1.53 -0.44 1.01 -0.80 -4.86 120.40 114.93 1x62 s VAL 59 Ca -0.04 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1x62 s VAL 59 Cb -0.19 -0.20 0.08 0.00 0.00 0.00 0.00 36.38 36.07 1x62 s VAL 59 CO -0.00 0.15 0.92 -0.62 0.00 0.00 0.00 175.10 175.55 1x62 n GLU 60 N 5.10 -5.15 -2.59 2.72 1.02 -1.26 -0.30 120.64 120.18 1x62 n GLU 60 Ca -0.08 0.57 -0.19 0.00 -0.02 0.00 0.00 57.16 57.44 1x62 n GLU 60 Cb 0.50 -5.39 0.01 0.00 -0.02 0.00 0.00 31.44 26.54 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 -2.84 -5.52 -4.11 1.62 2.03 -1.26 -4.99 116.55 101.49 1x62 n ASP 61 Ca 0.01 -0.11 -0.22 0.00 0.52 0.00 0.00 54.79 54.98 1x62 n ASP 61 Cb 0.54 -4.48 -0.09 0.00 -0.72 0.00 0.00 41.12 36.37 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 -5.19 1.74 -0.03 -0.67 -1.52 0.59 -5.16 119.66 109.42 1x62 s GLN 62 Ca 0.11 -2.02 0.07 0.00 -1.95 0.00 0.00 55.36 51.57 1x62 s GLN 62 Cb -0.05 -0.42 -0.01 0.00 -0.22 0.00 0.00 33.01 32.31 1x62 s GLN 62 CO 0.13 -0.42 -0.22 0.96 -0.25 0.00 0.00 175.29 175.49 1x62 s ILE 63 N -3.40 1.77 0.27 1.08 -4.36 -1.26 -1.91 121.20 113.40 1x62 s ILE 63 Ca 0.31 -0.95 -0.08 0.00 -0.26 0.00 0.00 60.65 59.67 1x62 s ILE 63 Cb 0.05 -1.48 -0.01 0.00 1.25 0.00 0.00 42.46 42.27 1x62 s ILE 63 CO 0.16 0.50 0.43 -0.31 0.24 0.00 0.00 174.94 175.96 1x62 s TYR 64 N -0.42 0.69 0.16 1.37 2.02 -1.20 -2.59 117.35 117.38 1x62 s TYR 64 Ca 0.06 -1.00 -0.16 0.00 -0.37 0.00 0.00 57.07 55.59 1x62 s TYR 64 Cb -0.10 0.00 -0.07 0.00 -0.40 0.00 0.00 41.96 41.39 1x62 s TYR 64 CO 0.00 -0.99 0.60 0.00 -1.57 0.00 0.00 175.55 173.59 1x62 n GLU 66 N 0.91 -0.05 0.23 0.00 2.13 -1.26 0.26 120.64 122.86 1x62 n GLU 66 Ca -0.05 1.12 -0.16 0.00 0.66 0.00 0.00 57.16 58.73 1x62 n GLU 66 Cb 0.51 -1.88 -0.09 0.00 0.27 0.00 0.00 31.44 30.26 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 -0.82 0.37 5.31 3.64 -1.95 -1.80 116.57 121.32 1x62 h LYS 67 Ca 0.55 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.97 1x62 h LYS 67 Cb 1.31 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1x62 h LYS 67 CO -0.67 -0.55 -0.18 0.45 -2.27 0.00 0.00 179.45 176.24 1x62 h HIS 68 N -0.85 -0.47 -0.76 1.91 3.86 -0.65 -3.22 115.15 114.97 1x62 h HIS 68 Ca -0.05 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1x62 h HIS 68 Cb 0.75 0.15 -0.09 0.00 1.06 0.00 0.00 27.41 29.28 1x62 h HIS 68 CO -0.27 -0.13 -0.44 0.00 0.86 0.00 0.00 177.93 177.95 1x62 n ALA 69 N -2.55 -0.45 -0.27 2.45 0.00 0.14 0.14 120.51 119.97 1x62 n ALA 69 Ca -0.09 0.66 0.08 0.00 0.00 0.00 0.00 53.44 54.08 1x62 n ALA 69 Cb 0.28 -0.13 0.22 0.00 0.00 0.00 0.00 19.45 19.82 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 0.26 -0.35 0.00 3.08 -1.39 0.43 114.38 116.40 1x62 h ARG 70 Ca 0.13 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1x62 h ARG 70 Cb 0.32 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1x62 h ARG 70 CO -0.72 0.17 0.03 0.93 -1.07 0.00 0.00 179.97 179.31 1x62 h GLU 71 N 0.26 0.52 0.29 0.04 4.39 0.12 0.10 114.58 120.31 1x62 h GLU 71 Ca 0.46 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1x62 h GLU 71 Cb 0.84 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1x62 h GLU 71 CO -0.56 0.53 -0.14 0.00 -1.16 0.00 0.00 179.01 177.69 1x62 h ARG 72 N 0.51 -0.37 -0.37 2.33 3.08 0.16 0.26 114.38 119.98 1x62 h ARG 72 Ca 0.11 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1x62 h ARG 72 Cb 0.28 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1x62 h ARG 72 CO 0.01 -0.03 0.09 -0.24 -1.07 0.00 0.00 179.97 178.73 1x62 h VAL 73 N -0.85 1.17 0.24 2.04 3.04 -0.94 -3.23 116.25 117.73 1x62 h VAL 73 Ca -0.04 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.04 1x62 h VAL 73 Cb 0.52 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1x62 h VAL 73 CO 0.06 0.22 -0.12 -1.28 -1.01 0.00 0.00 177.57 175.45 1x62 h SER 74 N 0.53 -0.27 0.00 3.17 0.87 -0.80 -3.49 113.55 113.55 1x62 h SER 74 Ca 0.12 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1x62 h SER 74 Cb 0.20 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1x62 h SER 74 CO -0.00 0.15 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1x62 n GLY 75 N 0.92 2.27 0.09 5.77 0.00 0.90 -5.00 105.19 110.15 1x62 n GLY 75 Ca -0.04 0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.37 1x62 n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x62 n PRO 76 N 0.00 0.14 -3.99 1.61 -0.04 -1.20 -4.46 135.00 127.05 1x62 n PRO 76 Ca 0.00 0.38 -0.31 0.00 -0.04 0.00 0.00 63.50 63.53 1x62 n PRO 76 Cb 0.00 -1.77 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 1x62 n PRO 76 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x62 s SER 77 N -3.88 3.92 -0.19 3.54 0.01 -1.26 -5.11 113.70 110.73 1x62 s SER 77 Ca 0.05 -1.17 -0.15 0.00 1.31 0.00 0.00 55.95 55.99 1x62 s SER 77 Cb 0.09 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.98 1x62 s SER 77 CO 0.35 -0.20 0.36 -0.94 0.41 0.00 0.00 173.24 173.23 1x62 s SER 78 N 1.31 6.43 0.00 2.44 1.04 -1.26 -5.21 113.70 118.45 1x62 s SER 78 Ca -0.06 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1x62 s SER 78 Cb -0.19 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1x62 s SER 78 CO -0.06 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.74