#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 1.89 0.13 1.61 0.15 -1.26 -5.14 113.70 111.08 1x62 s SER 2 Ca 0.00 -0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.10 1x62 s SER 2 Cb 0.00 -0.45 0.08 0.00 -1.71 0.00 0.00 66.02 63.93 1x62 s SER 2 CO 0.00 0.14 0.68 -0.44 1.20 0.00 0.00 173.24 174.83 1x62 s SER 3 N -0.02 -0.50 -0.84 5.45 0.01 -1.26 -5.11 113.70 111.44 1x62 s SER 3 Ca -0.01 -0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 1x62 s SER 3 Cb -0.10 0.55 0.15 0.00 0.21 0.00 0.00 66.02 66.84 1x62 s SER 3 CO 0.01 -0.90 0.94 -0.83 0.41 0.00 0.00 173.24 172.87 1x62 s GLY 4 N -2.70 2.14 0.62 3.44 0.00 -1.26 -5.03 107.32 104.53 1x62 s GLY 4 Ca 0.03 -2.85 -0.18 0.00 0.00 0.00 0.00 44.72 41.72 1x62 s GLY 4 CO -0.11 1.70 0.74 1.44 0.00 0.00 0.00 173.10 176.87 1x62 n SER 5 N 5.69 -0.21 -3.68 1.64 7.64 -1.26 -5.02 113.62 118.42 1x62 n SER 5 Ca 0.15 0.73 -0.10 0.00 1.01 0.00 0.00 58.87 60.67 1x62 n SER 5 Cb 0.47 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 1x62 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x62 s SER 6 N -1.30 -0.33 -0.33 6.43 0.01 -1.26 -5.08 113.70 111.83 1x62 s SER 6 Ca 0.72 -0.39 0.15 0.00 1.31 0.00 0.00 55.95 57.74 1x62 s SER 6 Cb -0.41 0.61 0.43 0.00 0.21 0.00 0.00 66.02 66.86 1x62 s SER 6 CO 0.51 -1.08 1.39 0.61 0.41 0.00 0.00 173.24 175.08 1x62 n GLY 7 N -0.37 1.84 0.10 3.44 0.00 -1.26 -4.96 105.19 103.98 1x62 n GLY 7 Ca -0.11 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 1x62 n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x62 h SER 8 N 1.62 0.10 -3.57 1.61 0.02 -2.03 -3.46 113.55 107.83 1x62 h SER 8 Ca -0.34 -0.71 -0.51 0.00 -0.84 0.00 0.00 61.79 59.38 1x62 h SER 8 Cb 1.29 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1x62 h SER 8 CO -0.05 1.41 0.44 0.27 -1.14 0.00 0.00 176.83 177.76 1x62 s ILE 9 N -2.36 4.06 -0.02 3.27 -4.36 -1.26 -4.96 121.20 115.57 1x62 s ILE 9 Ca -0.24 1.77 -0.06 0.00 -0.26 0.00 0.00 60.65 61.86 1x62 s ILE 9 Cb 0.03 -4.13 -0.03 0.00 1.25 0.00 0.00 42.46 39.59 1x62 s ILE 9 CO 0.66 0.30 -0.12 0.61 0.24 0.00 0.00 174.94 176.63 1x62 n GLY 10 N 2.09 -0.20 3.58 6.27 0.00 -1.26 -4.95 105.19 110.73 1x62 n GLY 10 Ca 0.02 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -5.94 5.26 0.91 1.61 0.02 -1.26 -4.96 114.94 110.58 1x62 s ASN 11 Ca -0.11 1.47 -0.12 0.00 -1.02 0.00 0.00 52.86 53.08 1x62 s ASN 11 Cb 0.02 -2.51 0.13 0.00 0.02 0.00 0.00 41.25 38.92 1x62 s ASN 11 CO 0.15 -2.18 1.11 0.00 0.02 0.00 0.00 177.10 176.21 1x62 s ALA 12 N 9.09 1.64 0.32 0.60 0.00 -1.26 -5.08 121.76 127.06 1x62 s ALA 12 Ca 0.94 -0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.61 1x62 s ALA 12 Cb -0.26 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1x62 s ALA 12 CO 0.32 -2.31 -0.03 -0.65 0.00 0.00 0.00 175.76 173.08 1x62 s GLN 13 N -5.12 1.68 0.17 0.00 -0.21 -1.26 -5.14 119.66 109.78 1x62 s GLN 13 Ca 0.63 -1.89 -0.12 0.00 0.02 0.00 0.00 55.36 54.00 1x62 s GLN 13 Cb -0.16 -1.27 -0.07 0.00 1.00 0.00 0.00 33.01 32.51 1x62 s GLN 13 CO 0.55 -0.01 0.54 -1.59 -2.12 0.00 0.00 175.29 172.67 1x62 s LYS 14 N -3.74 3.91 0.02 2.91 -2.85 -1.26 -5.10 119.74 113.63 1x62 s LYS 14 Ca 0.32 0.40 0.01 0.00 -1.00 0.00 0.00 55.97 55.70 1x62 s LYS 14 Cb 0.06 -2.83 -0.01 0.00 -2.06 0.00 0.00 37.83 32.98 1x62 s LYS 14 CO 0.14 0.42 -0.03 -0.51 0.10 0.00 0.00 175.35 175.47 1x62 s LEU 15 N -2.26 2.15 -0.72 2.77 1.43 -1.26 -5.08 118.68 115.71 1x62 s LEU 15 Ca 0.41 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 1x62 s LEU 15 Cb -0.14 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 1x62 s LEU 15 CO 0.20 -0.16 1.90 -2.16 0.23 0.00 0.00 176.35 176.35 1x62 s PRO 16 N -0.94 2.60 0.23 1.29 0.04 -1.26 -4.61 135.00 132.34 1x62 s PRO 16 Ca -0.09 0.26 -0.31 0.00 0.04 0.00 0.00 61.00 60.90 1x62 s PRO 16 Cb -0.06 -4.65 -0.14 0.00 0.04 0.00 0.00 34.50 29.68 1x62 s PRO 16 CO -0.00 -2.99 1.30 -1.33 0.04 0.00 0.00 177.00 174.02 1x62 n MET 17 N 9.06 1.71 -1.61 4.56 2.81 -1.26 -3.30 117.12 129.09 1x62 n MET 17 Ca 0.28 0.61 -0.38 0.00 -1.81 0.00 0.00 57.70 56.40 1x62 n MET 17 Cb 0.50 -2.19 0.05 0.00 -0.71 0.00 0.00 33.22 30.87 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 -0.73 0.41 0.09 0.00 9.92 -1.12 -3.15 116.55 121.97 1x62 n ASP 19 Ca 0.14 0.19 -0.04 0.00 -0.53 0.00 0.00 54.79 54.55 1x62 n ASP 19 Cb 0.47 0.65 -0.02 0.00 -0.64 0.00 0.00 41.12 41.58 1x62 n ASP 19 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 1x62 h LYS 20 N 0.00 -0.25 0.00 -1.24 3.11 -1.88 -3.42 116.57 112.90 1x62 h LYS 20 Ca -0.34 0.02 -0.17 0.00 -2.81 0.00 0.00 60.65 57.35 1x62 h LYS 20 Cb 1.92 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 33.18 1x62 h LYS 20 CO 0.04 -0.16 -1.15 0.00 -2.81 0.00 0.00 179.45 175.37 1x62 n GLY 22 N 1.47 0.72 3.39 0.00 0.00 -1.19 -5.02 105.19 104.56 1x62 n GLY 22 Ca -0.25 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.59 -0.01 0.03 2.61 -4.23 -1.26 -4.80 115.64 107.39 1x62 s THR 23 Ca 0.00 0.05 -0.35 0.00 -1.18 0.00 0.00 61.69 60.21 1x62 s THR 23 Cb 0.00 -0.72 -0.18 0.00 1.34 0.00 0.00 72.50 72.94 1x62 s THR 23 CO 0.00 0.02 0.89 0.61 -0.54 0.00 0.00 174.62 175.60 1x62 n GLY 24 N 3.86 -0.48 3.89 3.99 0.00 -1.26 -1.79 105.19 113.39 1x62 n GLY 24 Ca -0.20 0.63 -0.32 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.15 5.14 -0.05 -0.61 1.01 -1.21 -4.82 121.20 120.51 1x62 s ILE 25 Ca 0.79 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 1x62 s ILE 25 Cb -1.11 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 37.76 1x62 s ILE 25 CO 0.52 0.08 0.14 0.54 0.00 0.00 0.00 174.94 176.22 1x62 s VAL 26 N -1.62 -0.00 0.00 2.92 0.11 -1.26 -4.52 120.40 116.02 1x62 s VAL 26 Ca 0.40 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1x62 s VAL 26 Cb -0.12 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1x62 s VAL 26 CO 0.23 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1x62 n GLY 27 N 3.13 1.80 3.66 6.54 0.00 -1.26 -4.73 105.19 114.34 1x62 n GLY 27 Ca -0.14 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 44.85 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 0.67 -3.49 1.61 3.14 -1.26 -4.97 118.33 114.02 1x62 n VAL 28 Ca 0.00 -0.17 -0.09 0.00 -2.96 0.00 0.00 64.34 61.12 1x62 n VAL 28 Cb 0.00 -1.45 -0.02 0.00 -1.06 0.00 0.00 33.84 31.31 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 0.20 -0.38 -0.03 1.45 -0.12 -1.26 -4.64 117.98 113.20 1x62 s PHE 29 Ca 0.72 0.27 -0.30 0.00 -0.05 0.00 0.00 56.93 57.56 1x62 s PHE 29 Cb -0.67 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.22 1x62 s PHE 29 CO 0.47 -0.58 1.03 0.14 -0.05 0.00 0.00 175.22 176.23 1x62 s VAL 30 N -3.09 4.69 -0.38 -2.49 -7.23 0.19 -4.90 120.40 107.19 1x62 s VAL 30 Ca 0.04 1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 62.10 1x62 s VAL 30 Cb -0.01 -4.25 0.08 0.00 0.56 0.00 0.00 36.38 32.76 1x62 s VAL 30 CO -0.09 0.09 0.16 -0.75 -0.31 0.00 0.00 175.10 174.20 1x62 s LYS 31 N 1.41 2.34 0.65 4.82 2.36 -1.26 -0.24 119.74 129.82 1x62 s LYS 31 Ca 0.52 -1.51 -0.07 0.00 -2.55 0.00 0.00 55.97 52.36 1x62 s LYS 31 Cb -0.22 -3.52 0.04 0.00 -1.05 0.00 0.00 37.83 33.08 1x62 s LYS 31 CO 0.25 -0.88 0.97 -0.51 1.55 0.00 0.00 175.35 176.72 1x62 s LEU 32 N 1.27 3.00 0.00 5.43 1.43 0.39 -4.97 118.68 125.23 1x62 s LEU 32 Ca 0.02 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1x62 s LEU 32 Cb -0.22 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1x62 s LEU 32 CO -0.01 -1.35 0.50 0.54 0.23 0.00 0.00 176.35 176.26 1x62 n ARG 33 N -2.78 0.00 -0.02 1.70 1.74 -1.26 -2.93 116.66 113.12 1x62 n ARG 33 Ca 0.06 0.50 0.01 0.00 -0.77 0.00 0.00 57.85 57.66 1x62 n ARG 33 Cb 0.59 -0.80 0.02 0.00 -1.02 0.00 0.00 32.46 31.25 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 -2.02 1.70 -4.54 0.55 8.00 -1.26 -5.04 116.55 113.94 1x62 n ASP 34 Ca 0.00 -1.54 -0.26 0.00 0.71 0.00 0.00 54.79 53.70 1x62 n ASP 34 Cb 0.00 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 40.97 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 -0.59 1.87 0.01 -1.24 1.81 -1.15 -5.16 118.95 114.50 1x62 s ARG 35 Ca 0.04 -2.08 -0.01 0.00 -1.72 0.00 0.00 55.73 51.96 1x62 s ARG 35 Cb 0.02 -1.27 -0.01 0.00 -0.45 0.00 0.00 34.95 33.24 1x62 s ARG 35 CO 0.03 -0.17 0.00 -1.01 -0.68 0.00 0.00 175.30 173.48 1x62 s HIS 36 N -2.98 0.19 0.22 -0.53 3.76 -1.26 0.15 115.29 114.83 1x62 s HIS 36 Ca 0.31 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.77 1x62 s HIS 36 Cb 0.08 -0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.61 1x62 s HIS 36 CO 0.15 -0.18 0.29 1.03 -0.85 0.00 0.00 174.74 175.18 1x62 s ARG 37 N -1.24 1.37 0.57 1.40 0.52 0.66 -2.80 118.95 119.43 1x62 s ARG 37 Ca -0.14 -1.46 -0.09 0.00 -0.52 0.00 0.00 55.73 53.52 1x62 s ARG 37 Cb -0.08 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.71 1x62 s ARG 37 CO -0.00 -0.51 0.94 -1.01 0.02 0.00 0.00 175.30 174.74 1x62 s HIS 38 N -4.08 3.60 -0.60 -0.53 3.76 -1.26 0.52 115.29 116.71 1x62 s HIS 38 Ca 0.31 1.13 0.21 0.00 -0.15 0.00 0.00 55.06 56.56 1x62 s HIS 38 Cb 0.03 -2.57 0.90 0.00 1.11 0.00 0.00 32.58 32.05 1x62 s HIS 38 CO 0.11 -0.53 1.65 -0.35 -0.85 0.00 0.00 174.74 174.77 1x62 n PRO 39 N -2.54 0.15 -0.00 8.40 -0.04 -1.26 -2.47 135.00 137.23 1x62 n PRO 39 Ca 0.04 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.93 1x62 n PRO 39 Cb 0.54 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 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 1.13 -0.07 0.54 0.28 -1.26 -4.46 120.64 114.72 1x62 n GLU 40 Ca 0.02 -0.06 0.12 0.00 -0.16 0.00 0.00 57.16 57.08 1x62 n GLU 40 Cb 0.21 -1.13 0.36 0.00 1.43 0.00 0.00 31.44 32.31 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 0.58 0.00 -2.54 0.00 9.36 -1.03 -4.80 117.16 118.73 1x62 n TYR 42 Ca 0.17 0.00 -0.32 0.00 3.32 0.00 0.00 57.90 61.07 1x62 n TYR 42 Cb 0.41 -0.07 -0.04 0.00 -0.63 0.00 0.00 39.34 39.02 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 -1.27 4.59 0.11 2.97 -7.23 -1.26 -2.97 120.40 115.35 1x62 s VAL 43 Ca 0.00 1.07 -0.34 0.00 -1.81 0.00 0.00 61.98 60.91 1x62 s VAL 43 Cb 0.00 -3.72 -0.13 0.00 0.56 0.00 0.00 36.38 33.09 1x62 s VAL 43 CO 0.00 -0.63 1.67 0.00 -0.31 0.00 0.00 175.10 175.84 1x62 h THR 45 N 4.11 1.03 0.11 0.00 2.02 -1.93 0.16 112.91 118.42 1x62 h THR 45 Ca -0.46 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1x62 h THR 45 Cb 1.25 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1x62 h THR 45 CO 0.91 0.07 -0.05 -0.78 0.37 0.00 0.00 175.52 176.03 1x62 h ASP 46 N 0.00 -0.13 0.00 4.18 3.58 -1.89 -3.43 116.42 118.73 1x62 h ASP 46 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1x62 h ASP 46 Cb 0.12 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1x62 h ASP 46 CO 0.01 -0.04 -0.47 0.00 -2.88 0.00 0.00 179.24 175.86 1x62 n GLY 48 N 1.59 0.63 3.52 0.00 0.00 0.56 -4.92 105.19 106.57 1x62 n GLY 48 Ca -0.07 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.34 -0.30 2.61 -1.32 -1.26 -4.63 115.64 114.08 1x62 s THR 49 Ca 0.00 -0.64 -0.32 0.00 -1.21 0.00 0.00 61.69 59.52 1x62 s THR 49 Cb 0.00 -2.34 -0.09 0.00 -1.51 0.00 0.00 72.50 68.56 1x62 s THR 49 CO 0.00 0.58 2.21 -3.20 -2.21 0.00 0.00 174.62 172.00 1x62 n ASN 50 N 2.22 2.56 -0.74 8.08 4.05 -1.26 -1.75 115.26 128.42 1x62 n ASN 50 Ca -0.17 0.31 0.06 0.00 0.45 0.00 0.00 54.58 55.22 1x62 n ASN 50 Cb 0.52 -1.38 0.17 0.00 1.23 0.00 0.00 39.78 40.32 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1x62 n LEU 51 N 10.71 2.14 -0.24 1.20 4.77 -1.16 -4.42 117.00 130.00 1x62 n LEU 51 Ca 0.37 -1.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.18 1x62 n LEU 51 Cb 0.32 -0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1x62 n LEU 51 CO 0.72 0.50 0.53 0.50 -1.33 0.00 0.00 177.39 178.30 1x62 h LYS 52 N 2.18 -0.21 0.06 3.23 3.11 -1.87 0.54 116.57 123.61 1x62 h LYS 52 Ca 0.00 0.01 -0.36 0.00 -2.81 0.00 0.00 60.65 57.50 1x62 h LYS 52 Cb 0.57 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.81 1x62 h LYS 52 CO 0.02 -0.14 -2.02 1.04 -2.81 0.00 0.00 179.45 175.54 1x62 n GLN 53 N -5.37 0.68 -0.24 1.90 1.13 -1.26 -4.33 117.38 109.89 1x62 n GLN 53 Ca 0.01 0.30 0.03 0.00 -1.94 0.00 0.00 57.00 55.39 1x62 n GLN 53 Cb 0.33 -1.65 0.15 0.00 0.11 0.00 0.00 30.24 29.18 1x62 n GLN 53 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1x62 h LYS 54 N -0.25 0.46 0.00 -1.09 1.57 -1.76 -3.48 116.57 112.02 1x62 h LYS 54 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1x62 h LYS 54 Cb 1.83 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1x62 h LYS 54 CO -0.06 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 1x62 n GLY 55 N -1.31 1.89 3.73 3.86 0.00 0.19 -4.78 105.19 108.78 1x62 n GLY 55 Ca 0.12 -1.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.11 2.73 0.32 1.61 -3.43 -1.26 -3.75 115.29 109.40 1x62 s HIS 56 Ca 0.00 -0.35 0.05 0.00 -0.80 0.00 0.00 55.06 53.96 1x62 s HIS 56 Cb 0.00 -1.59 -0.06 0.00 -1.43 0.00 0.00 32.58 29.50 1x62 s HIS 56 CO 0.00 0.37 0.03 -0.06 -2.00 0.00 0.00 174.74 173.08 1x62 s PHE 57 N -2.40 1.99 -0.29 0.38 0.40 -0.60 -4.91 117.98 112.55 1x62 s PHE 57 Ca 0.37 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1x62 s PHE 57 Cb -0.03 -1.27 0.03 0.00 0.51 0.00 0.00 43.02 42.25 1x62 s PHE 57 CO 0.23 0.10 0.02 -0.06 0.70 0.00 0.00 175.22 176.21 1x62 s PHE 58 N -3.19 3.17 -0.05 0.36 0.08 -1.26 -3.31 117.98 113.78 1x62 s PHE 58 Ca 0.34 -1.42 -0.02 0.00 0.12 0.00 0.00 56.93 55.95 1x62 s PHE 58 Cb 0.08 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1x62 s PHE 58 CO 0.15 -0.70 0.08 0.08 -0.10 0.00 0.00 175.22 174.73 1x62 s VAL 59 N 1.38 -0.14 -1.47 -0.44 1.01 -0.71 -4.87 120.40 115.16 1x62 s VAL 59 Ca -0.01 0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.29 1x62 s VAL 59 Cb -0.18 -0.19 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1x62 s VAL 59 CO -0.00 0.16 0.81 -0.62 0.00 0.00 0.00 175.10 175.45 1x62 n GLU 60 N 5.31 -4.84 -2.62 2.72 1.02 -1.26 -0.41 120.64 120.55 1x62 n GLU 60 Ca -0.03 0.56 -0.21 0.00 -0.02 0.00 0.00 57.16 57.46 1x62 n GLU 60 Cb 0.50 -5.23 0.01 0.00 -0.02 0.00 0.00 31.44 26.69 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 -2.90 -5.81 -3.94 1.62 2.03 -1.26 -4.98 116.55 101.31 1x62 n ASP 61 Ca -0.10 -0.12 -0.23 0.00 0.52 0.00 0.00 54.79 54.86 1x62 n ASP 61 Cb 0.59 -4.75 -0.08 0.00 -0.72 0.00 0.00 41.12 36.15 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 -5.26 1.81 0.07 -0.67 -0.21 0.45 -5.16 119.66 110.69 1x62 s GLN 62 Ca 0.12 -2.07 0.08 0.00 0.02 0.00 0.00 55.36 53.50 1x62 s GLN 62 Cb -0.05 -0.30 -0.03 0.00 1.00 0.00 0.00 33.01 33.63 1x62 s GLN 62 CO 0.14 -0.50 -0.21 0.96 -2.12 0.00 0.00 175.29 173.57 1x62 s ILE 63 N -3.36 1.67 0.29 1.08 -4.36 -1.26 -1.74 121.20 113.53 1x62 s ILE 63 Ca 0.30 -1.35 -0.16 0.00 -0.26 0.00 0.00 60.65 59.18 1x62 s ILE 63 Cb 0.03 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.27 1x62 s ILE 63 CO 0.18 0.08 0.63 -0.31 0.24 0.00 0.00 174.94 175.75 1x62 s TYR 64 N -0.97 0.16 0.09 1.37 2.02 -1.21 -3.57 117.35 115.24 1x62 s TYR 64 Ca 0.07 -0.60 -0.22 0.00 -0.37 0.00 0.00 57.07 55.95 1x62 s TYR 64 Cb -0.09 0.48 -0.07 0.00 -0.40 0.00 0.00 41.96 41.88 1x62 s TYR 64 CO 0.03 -1.20 0.68 0.00 -1.57 0.00 0.00 175.55 173.49 1x62 n GLU 66 N 2.00 -0.05 0.10 0.00 2.13 -1.25 0.11 120.64 123.69 1x62 n GLU 66 Ca -0.07 0.93 -0.08 0.00 0.66 0.00 0.00 57.16 58.61 1x62 n GLU 66 Cb 0.50 -1.52 -0.04 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 -0.40 0.40 5.31 3.64 -1.93 -2.13 116.57 121.46 1x62 h LYS 67 Ca 0.42 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1x62 h LYS 67 Cb 0.93 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1x62 h LYS 67 CO -0.57 -0.26 -0.19 0.45 -2.27 0.00 0.00 179.45 176.60 1x62 h HIS 68 N -0.41 -0.50 -0.35 1.91 3.86 -0.73 -3.27 115.15 115.66 1x62 h HIS 68 Ca -0.02 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1x62 h HIS 68 Cb 0.37 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 1x62 h HIS 68 CO -0.23 -0.22 -0.21 0.00 0.86 0.00 0.00 177.93 178.13 1x62 n ALA 69 N -2.43 -0.22 -0.34 2.45 0.00 0.12 0.12 120.51 120.21 1x62 n ALA 69 Ca -0.11 0.30 0.14 0.00 0.00 0.00 0.00 53.44 53.77 1x62 n ALA 69 Cb 0.27 0.12 0.28 0.00 0.00 0.00 0.00 19.45 20.12 1x62 n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x62 n ARG 70 N -3.79 -0.08 -0.13 0.00 1.74 -0.80 0.22 116.66 113.82 1x62 n ARG 70 Ca 0.01 1.45 0.00 0.00 -0.77 0.00 0.00 57.85 58.54 1x62 n ARG 70 Cb 0.09 -2.30 0.27 0.00 -1.02 0.00 0.00 32.46 29.50 1x62 n ARG 70 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x62 h GLU 71 N 0.00 0.82 0.08 5.56 5.08 0.87 0.35 114.58 127.34 1x62 h GLU 71 Ca 0.58 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1x62 h GLU 71 Cb 1.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1x62 h GLU 71 CO -0.91 0.61 -0.04 0.00 -1.00 0.00 0.00 179.01 177.67 1x62 h ARG 72 N 0.82 -0.11 -0.12 2.33 3.08 0.35 -3.31 114.38 117.43 1x62 h ARG 72 Ca 0.21 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.30 1x62 h ARG 72 Cb 0.05 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1x62 h ARG 72 CO -0.03 0.09 0.11 -0.24 -1.07 0.00 0.00 179.97 178.82 1x62 h VAL 73 N -1.01 0.67 -3.26 2.04 3.04 -0.12 -3.38 116.25 114.23 1x62 h VAL 73 Ca -0.01 0.00 -0.42 0.00 -1.01 0.00 0.00 66.70 65.26 1x62 h VAL 73 Cb 0.24 0.92 -0.39 0.00 -2.01 0.00 0.00 31.29 30.05 1x62 h VAL 73 CO 0.02 0.00 -0.75 -0.55 -1.01 0.00 0.00 177.57 175.27 1x62 s SER 74 N -6.32 1.56 0.10 3.17 0.15 0.12 -5.05 113.70 107.44 1x62 s SER 74 Ca -0.05 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1x62 s SER 74 Cb 0.16 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1x62 s SER 74 CO 0.61 -0.24 -0.09 -0.83 1.20 0.00 0.00 173.24 173.89 1x62 s GLY 75 N 2.06 0.84 0.00 9.45 0.00 -1.24 -3.94 107.32 114.48 1x62 s GLY 75 Ca 0.04 -1.25 0.11 0.00 0.00 0.00 0.00 44.72 43.63 1x62 s GLY 75 CO -0.05 -1.33 1.11 -1.55 0.00 0.00 0.00 173.10 171.28 1x62 n PRO 76 N 0.35 0.49 -0.14 2.90 -0.04 -1.26 -3.79 135.00 133.50 1x62 n PRO 76 Ca -0.15 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.26 1x62 n PRO 76 Cb 0.59 -1.37 0.01 0.00 -0.04 0.00 0.00 33.50 32.69 1x62 n PRO 76 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x62 h SER 77 N 0.00 -0.82 -3.93 3.54 0.87 -1.98 -3.41 113.55 107.82 1x62 h SER 77 Ca 0.00 0.18 -0.48 0.00 -1.23 0.00 0.00 61.79 60.26 1x62 h SER 77 Cb 0.00 0.43 0.17 0.00 -0.44 0.00 0.00 62.40 62.56 1x62 h SER 77 CO 0.00 -0.26 0.19 -0.55 -0.53 0.00 0.00 176.83 175.68 1x62 s SER 78 N -5.14 2.82 0.00 6.23 0.15 -1.25 -5.32 113.70 111.19 1x62 s SER 78 Ca -0.14 1.62 0.26 0.00 0.70 0.00 0.00 55.95 58.39 1x62 s SER 78 Cb 0.15 -2.27 0.57 0.00 -1.71 0.00 0.00 66.02 62.76 1x62 s SER 78 CO 0.70 -3.07 1.47 0.61 1.20 0.00 0.00 173.24 174.15