#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 -0.51 -0.19 1.61 0.15 -1.26 -5.18 113.70 108.33 1x62 s SER 2 Ca 0.00 0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.74 1x62 s SER 2 Cb 0.00 0.49 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 1x62 s SER 2 CO 0.00 -0.70 0.48 -0.55 1.20 0.00 0.00 173.24 173.67 1x62 s SER 3 N -2.08 -0.56 -0.00 5.45 0.15 -1.26 -5.16 113.70 110.24 1x62 s SER 3 Ca -0.01 1.00 0.04 0.00 0.70 0.00 0.00 55.95 57.68 1x62 s SER 3 Cb -0.01 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 65.22 1x62 s SER 3 CO -0.04 -0.19 -0.10 -0.83 1.20 0.00 0.00 173.24 173.28 1x62 s GLY 4 N 0.82 1.67 -0.03 9.45 0.00 -1.26 -5.12 107.32 112.85 1x62 s GLY 4 Ca -0.05 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.66 1x62 s GLY 4 CO -0.06 -0.90 -0.11 -0.56 0.00 0.00 0.00 173.10 171.47 1x62 s SER 5 N -1.28 1.47 0.40 1.64 0.01 -1.26 -5.15 113.70 109.53 1x62 s SER 5 Ca 0.15 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 1x62 s SER 5 Cb -0.11 -0.42 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1x62 s SER 5 CO 0.06 0.08 0.65 -0.44 0.41 0.00 0.00 173.24 173.99 1x62 s SER 6 N 0.20 6.30 -0.30 2.44 0.01 -1.26 -5.09 113.70 116.00 1x62 s SER 6 Ca -0.04 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1x62 s SER 6 Cb -0.10 -2.13 0.14 0.00 0.21 0.00 0.00 66.02 64.14 1x62 s SER 6 CO 0.01 -0.40 0.32 -0.83 0.41 0.00 0.00 173.24 172.75 1x62 s GLY 7 N -3.98 -0.15 0.25 3.44 0.00 -1.26 -5.13 107.32 100.49 1x62 s GLY 7 Ca 0.43 -0.40 -0.31 0.00 0.00 0.00 0.00 44.72 44.44 1x62 s GLY 7 CO 0.39 2.70 1.64 -0.56 0.00 0.00 0.00 173.10 177.27 1x62 s SER 8 N 2.20 6.39 0.36 1.64 0.01 -1.26 -5.01 113.70 118.04 1x62 s SER 8 Ca 0.11 2.89 0.07 0.00 1.31 0.00 0.00 55.95 60.34 1x62 s SER 8 Cb -0.14 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 1x62 s SER 8 CO -0.27 -0.93 0.32 0.27 0.41 0.00 0.00 173.24 173.04 1x62 s ILE 9 N 0.51 3.34 0.00 1.44 -5.25 -1.26 -4.87 121.20 115.12 1x62 s ILE 9 Ca 0.68 -1.35 0.00 0.00 -0.99 0.00 0.00 60.65 58.99 1x62 s ILE 9 Cb -0.48 -3.15 0.00 0.00 2.95 0.00 0.00 42.46 41.78 1x62 s ILE 9 CO 0.41 -0.13 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x62 n GLY 10 N -1.43 0.59 3.19 6.27 0.00 -1.26 -5.12 105.19 107.42 1x62 n GLY 10 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.14 -0.14 0.28 1.61 4.22 -1.26 -5.16 114.94 113.34 1x62 s ASN 11 Ca 0.00 0.83 0.06 0.00 -2.14 0.00 0.00 52.86 51.61 1x62 s ASN 11 Cb 0.00 1.28 -0.06 0.00 1.28 0.00 0.00 41.25 43.75 1x62 s ASN 11 CO 0.00 -0.24 -0.03 0.00 -2.04 0.00 0.00 177.10 174.79 1x62 s ALA 12 N 2.59 2.28 0.29 3.54 0.00 -1.26 -5.17 121.76 124.04 1x62 s ALA 12 Ca 0.01 -1.92 0.09 0.00 0.00 0.00 0.00 51.96 50.14 1x62 s ALA 12 Cb -0.13 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.26 1x62 s ALA 12 CO -0.13 -0.15 -0.11 -0.65 0.00 0.00 0.00 175.76 174.72 1x62 s GLN 13 N -3.78 1.63 -0.03 0.00 1.11 -1.26 -5.02 119.66 112.31 1x62 s GLN 13 Ca 0.31 -1.80 0.02 0.00 0.01 0.00 0.00 55.36 53.90 1x62 s GLN 13 Cb 0.05 -1.45 0.11 0.00 -1.01 0.00 0.00 33.01 30.72 1x62 s GLN 13 CO 0.12 0.15 0.76 1.63 0.01 0.00 0.00 175.29 177.96 1x62 n LYS 14 N -0.62 1.50 -5.14 2.91 5.02 -1.26 -4.78 118.16 115.78 1x62 n LYS 14 Ca -0.06 -0.44 -0.29 0.00 -2.02 0.00 0.00 58.31 55.50 1x62 n LYS 14 Cb 0.62 -1.51 -0.16 0.00 -0.02 0.00 0.00 35.03 33.97 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x62 s LEU 15 N -0.52 2.03 -0.28 -0.35 1.43 -1.26 -5.03 118.68 114.71 1x62 s LEU 15 Ca 0.08 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1x62 s LEU 15 Cb 0.06 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1x62 s LEU 15 CO 0.03 0.26 1.65 -2.16 0.23 0.00 0.00 176.35 176.36 1x62 s PRO 16 N -0.39 3.61 -0.13 1.29 0.04 -1.26 -4.55 135.00 133.61 1x62 s PRO 16 Ca 0.05 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1x62 s PRO 16 Cb -0.10 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.30 1x62 s PRO 16 CO 0.00 -1.52 1.86 -1.64 0.04 0.00 0.00 177.00 175.75 1x62 s MET 17 N 5.04 3.77 0.46 4.56 -1.94 -1.26 -2.16 119.30 127.76 1x62 s MET 17 Ca 0.73 2.06 -0.24 0.00 -1.71 0.00 0.00 55.69 56.52 1x62 s MET 17 Cb -0.23 -4.15 -0.08 0.00 2.01 0.00 0.00 34.83 32.38 1x62 s MET 17 CO 0.31 -1.35 1.27 0.00 -0.01 0.00 0.00 175.02 175.24 1x62 h ASP 19 N 1.86 0.56 0.65 0.00 3.58 -0.94 -2.33 116.42 119.81 1x62 h ASP 19 Ca -0.49 -0.59 -0.03 0.00 0.42 0.00 0.00 57.03 56.34 1x62 h ASP 19 Cb 1.30 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1x62 h ASP 19 CO 0.59 1.46 -0.34 0.50 -2.88 0.00 0.00 179.24 178.57 1x62 h LYS 20 N 0.11 -0.87 0.00 0.28 1.63 -1.92 -3.41 116.57 112.39 1x62 h LYS 20 Ca -0.17 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1x62 h LYS 20 Cb 2.01 0.20 0.00 0.00 -0.60 0.00 0.00 32.23 33.84 1x62 h LYS 20 CO 0.22 -0.58 -0.04 0.00 -3.45 0.00 0.00 179.45 175.61 1x62 n GLY 22 N 1.58 0.33 2.84 0.00 0.00 -0.88 -4.97 105.19 104.09 1x62 n GLY 22 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.05 -0.22 2.61 -4.23 -1.26 -4.77 115.64 107.72 1x62 s THR 23 Ca 0.00 0.18 -0.41 0.00 -1.18 0.00 0.00 61.69 60.28 1x62 s THR 23 Cb 0.00 -0.13 -0.17 0.00 1.34 0.00 0.00 72.50 73.54 1x62 s THR 23 CO 0.00 0.07 1.53 0.61 -0.54 0.00 0.00 174.62 176.30 1x62 n GLY 24 N 4.04 0.46 3.86 3.99 0.00 -1.26 -3.14 105.19 113.15 1x62 n GLY 24 Ca -0.25 0.88 -0.31 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 2.28 4.70 -0.16 -0.61 1.01 -0.92 -4.88 121.20 122.63 1x62 s ILE 25 Ca 0.96 0.81 0.01 0.00 0.00 0.00 0.00 60.65 62.43 1x62 s ILE 25 Cb -1.18 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 37.58 1x62 s ILE 25 CO 0.64 -0.61 -0.17 0.54 0.00 0.00 0.00 174.94 175.35 1x62 s VAL 26 N -2.49 1.76 0.00 2.92 0.11 -1.26 -4.29 120.40 117.15 1x62 s VAL 26 Ca 0.54 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 1x62 s VAL 26 Cb -0.10 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1x62 s VAL 26 CO 0.32 0.49 0.00 0.61 -3.33 0.00 0.00 175.10 173.20 1x62 n GLY 27 N 4.62 0.93 3.66 6.54 0.00 -1.26 -4.83 105.19 114.84 1x62 n GLY 27 Ca -0.19 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 44.69 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 0.82 -3.55 1.61 3.14 -1.26 -4.97 118.33 114.12 1x62 n VAL 28 Ca 0.00 -0.21 -0.10 0.00 -2.96 0.00 0.00 64.34 61.07 1x62 n VAL 28 Cb 0.00 -1.38 -0.04 0.00 -1.06 0.00 0.00 33.84 31.36 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 0.03 -0.37 0.16 1.45 -0.12 -1.26 -4.65 117.98 113.22 1x62 s PHE 29 Ca 0.70 0.53 -0.30 0.00 -0.05 0.00 0.00 56.93 57.81 1x62 s PHE 29 Cb -0.69 0.47 -0.07 0.00 -0.63 0.00 0.00 43.02 42.10 1x62 s PHE 29 CO 0.49 -0.41 1.09 0.14 -0.05 0.00 0.00 175.22 176.48 1x62 s VAL 30 N -1.72 3.96 -0.35 -2.49 -7.23 0.85 -4.92 120.40 108.50 1x62 s VAL 30 Ca -0.00 1.66 0.01 0.00 -1.81 0.00 0.00 61.98 61.84 1x62 s VAL 30 Cb -0.01 -4.06 0.09 0.00 0.56 0.00 0.00 36.38 32.96 1x62 s VAL 30 CO -0.01 0.27 0.08 -0.75 -0.31 0.00 0.00 175.10 174.39 1x62 s LYS 31 N -0.23 1.88 0.73 4.82 2.36 -1.26 -1.09 119.74 126.94 1x62 s LYS 31 Ca 0.50 -1.72 -0.10 0.00 -2.55 0.00 0.00 55.97 52.09 1x62 s LYS 31 Cb -0.29 -3.31 0.05 0.00 -1.05 0.00 0.00 37.83 33.23 1x62 s LYS 31 CO 0.34 -0.91 1.09 -0.51 1.55 0.00 0.00 175.35 176.91 1x62 s LEU 32 N 1.06 2.78 0.00 5.43 1.43 0.38 -4.97 118.68 124.78 1x62 s LEU 32 Ca 0.06 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1x62 s LEU 32 Cb -0.21 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.51 1x62 s LEU 32 CO -0.05 -1.56 0.49 0.54 0.23 0.00 0.00 176.35 175.99 1x62 n ARG 33 N -3.06 0.00 -0.03 1.70 3.00 -1.26 -2.89 116.66 114.12 1x62 n ARG 33 Ca 0.07 0.49 0.01 0.00 -0.01 0.00 0.00 57.85 58.41 1x62 n ARG 33 Cb 0.59 -0.78 0.03 0.00 0.00 0.00 0.00 32.46 32.29 1x62 n ARG 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1x62 n ASP 34 N -1.92 1.93 -4.37 0.55 2.03 -1.26 -5.04 116.55 108.47 1x62 n ASP 34 Ca 0.00 -1.75 -0.25 0.00 0.52 0.00 0.00 54.79 53.31 1x62 n ASP 34 Cb 0.00 -0.04 -0.09 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 -0.78 1.86 0.03 -0.67 1.81 -1.14 -5.17 118.95 114.89 1x62 s ARG 35 Ca 0.04 -2.11 0.00 0.00 -1.72 0.00 0.00 55.73 51.95 1x62 s ARG 35 Cb 0.02 -0.90 -0.02 0.00 -0.45 0.00 0.00 34.95 33.60 1x62 s ARG 35 CO 0.03 -0.33 -0.04 -1.01 -0.68 0.00 0.00 175.30 173.28 1x62 s HIS 36 N -3.17 0.37 0.17 -0.53 3.76 -1.26 0.14 115.29 114.77 1x62 s HIS 36 Ca 0.27 -0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 54.46 1x62 s HIS 36 Cb 0.05 -0.26 -0.02 0.00 1.11 0.00 0.00 32.58 33.47 1x62 s HIS 36 CO 0.13 -0.21 0.25 1.03 -0.85 0.00 0.00 174.74 175.09 1x62 s ARG 37 N -2.00 1.15 0.57 1.40 0.52 -0.25 -0.19 118.95 120.15 1x62 s ARG 37 Ca -0.10 -1.26 -0.14 0.00 -0.52 0.00 0.00 55.73 53.70 1x62 s ARG 37 Cb -0.06 0.35 -0.05 0.00 0.52 0.00 0.00 34.95 35.71 1x62 s ARG 37 CO -0.03 -0.41 1.02 -1.01 0.02 0.00 0.00 175.30 174.89 1x62 s HIS 38 N -4.00 3.39 -1.40 -0.53 3.76 -1.26 -0.11 115.29 115.14 1x62 s HIS 38 Ca 0.21 1.42 0.15 0.00 -0.15 0.00 0.00 55.06 56.68 1x62 s HIS 38 Cb 0.04 -2.82 0.74 0.00 1.11 0.00 0.00 32.58 31.65 1x62 s HIS 38 CO 0.02 -0.66 1.41 -0.35 -0.85 0.00 0.00 174.74 174.31 1x62 n PRO 39 N -2.12 0.20 -0.01 8.40 -0.04 -1.26 -1.89 135.00 138.26 1x62 n PRO 39 Ca 0.07 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1x62 n PRO 39 Cb 0.54 -1.50 -0.04 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 -1.30 1.76 0.10 0.54 0.28 -1.26 -4.62 120.64 116.14 1x62 n GLU 40 Ca 0.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 57.16 57.03 1x62 n GLU 40 Cb 0.12 -1.11 -0.04 0.00 1.43 0.00 0.00 31.44 31.84 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 -3.56 0.00 3.20 -1.63 -3.42 116.97 111.56 1x62 h TYR 42 Ca -0.03 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 61.29 1x62 h TYR 42 Cb 1.55 0.00 0.19 0.00 1.54 0.00 0.00 36.73 40.00 1x62 h TYR 42 CO 0.00 0.00 -0.15 1.33 -1.64 0.00 0.00 178.16 177.70 1x62 n VAL 43 N -2.81 1.90 -1.57 1.81 0.24 -1.24 -4.29 118.33 112.37 1x62 n VAL 43 Ca 0.03 -0.33 -0.40 0.00 -2.04 0.00 0.00 64.34 61.59 1x62 n VAL 43 Cb 0.83 -0.91 0.02 0.00 -1.47 0.00 0.00 33.84 32.32 1x62 n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x62 h THR 45 N 1.08 1.35 0.20 0.00 2.02 -1.89 -2.79 112.91 112.88 1x62 h THR 45 Ca -0.45 -3.01 -0.01 0.00 0.77 0.00 0.00 66.41 63.71 1x62 h THR 45 Cb 1.36 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1x62 h THR 45 CO 0.54 0.77 -0.10 -0.78 0.37 0.00 0.00 175.52 176.32 1x62 h ASP 46 N 0.00 -0.23 0.00 4.18 1.82 -1.91 -3.43 116.42 116.85 1x62 h ASP 46 Ca -0.06 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1x62 h ASP 46 Cb 1.73 0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.80 1x62 h ASP 46 CO 0.11 0.02 -0.22 0.00 -1.61 0.00 0.00 179.24 177.53 1x62 n GLY 48 N 1.65 0.64 3.68 0.00 0.00 -1.05 -4.96 105.19 105.15 1x62 n GLY 48 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.65 4.37 -0.20 2.61 -1.32 -1.26 -4.64 115.64 114.55 1x62 s THR 49 Ca 0.00 -0.22 -0.33 0.00 -1.21 0.00 0.00 61.69 59.93 1x62 s THR 49 Cb 0.00 -2.85 -0.10 0.00 -1.51 0.00 0.00 72.50 68.04 1x62 s THR 49 CO 0.00 0.60 2.08 0.59 -2.21 0.00 0.00 174.62 175.68 1x62 n ASN 50 N 2.24 3.04 -0.72 8.08 4.13 -1.26 -1.40 115.26 129.37 1x62 n ASN 50 Ca -0.19 0.58 0.04 0.00 1.68 0.00 0.00 54.58 56.69 1x62 n ASN 50 Cb 0.54 -1.40 0.13 0.00 -1.54 0.00 0.00 39.78 37.51 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 9.14 2.00 0.08 3.41 4.77 -1.26 -4.34 117.00 130.80 1x62 n LEU 51 Ca 0.30 -1.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.14 1x62 n LEU 51 Cb 0.33 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 1x62 n LEU 51 CO 0.72 0.37 0.51 0.50 -1.33 0.00 0.00 177.39 178.16 1x62 h LYS 52 N 1.53 -0.58 0.08 3.23 3.11 -1.90 0.10 116.57 122.14 1x62 h LYS 52 Ca 0.00 0.04 -0.33 0.00 -2.81 0.00 0.00 60.65 57.55 1x62 h LYS 52 Cb 0.65 0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.99 1x62 h LYS 52 CO 0.08 -0.39 -1.78 1.04 -2.81 0.00 0.00 179.45 175.59 1x62 n GLN 53 N -4.92 0.69 -0.28 1.90 1.13 -1.26 -4.24 117.38 110.40 1x62 n GLN 53 Ca -0.07 0.36 0.05 0.00 -1.94 0.00 0.00 57.00 55.41 1x62 n GLN 53 Cb 0.34 -1.72 0.20 0.00 0.11 0.00 0.00 30.24 29.17 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 -0.29 0.62 0.00 -1.09 1.57 -1.76 -3.48 116.57 112.14 1x62 h LYS 54 Ca -0.41 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1x62 h LYS 54 Cb 1.79 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1x62 h LYS 54 CO -0.02 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 179.68 1x62 n GLY 55 N -1.32 2.27 3.78 3.86 0.00 0.36 -4.73 105.19 109.40 1x62 n GLY 55 Ca 0.15 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.53 2.93 0.34 1.61 -3.43 -1.26 -3.91 115.29 110.05 1x62 s HIS 56 Ca 0.00 -0.21 0.04 0.00 -0.80 0.00 0.00 55.06 54.09 1x62 s HIS 56 Cb 0.00 -1.47 -0.06 0.00 -1.43 0.00 0.00 32.58 29.63 1x62 s HIS 56 CO 0.00 0.45 0.07 -0.06 -2.00 0.00 0.00 174.74 173.20 1x62 s PHE 57 N -2.25 1.93 -0.30 0.38 0.40 -0.70 -4.92 117.98 112.52 1x62 s PHE 57 Ca 0.35 -1.01 -0.02 0.00 -0.60 0.00 0.00 56.93 55.65 1x62 s PHE 57 Cb -0.06 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.25 1x62 s PHE 57 CO 0.24 -0.04 0.00 -0.06 0.70 0.00 0.00 175.22 176.06 1x62 s PHE 58 N -3.29 3.26 -0.14 0.36 0.08 -1.26 -3.50 117.98 113.50 1x62 s PHE 58 Ca 0.34 -1.86 -0.04 0.00 0.12 0.00 0.00 56.93 55.49 1x62 s PHE 58 Cb 0.08 -2.11 0.06 0.00 -0.57 0.00 0.00 43.02 40.47 1x62 s PHE 58 CO 0.15 -0.80 0.11 0.08 -0.10 0.00 0.00 175.22 174.66 1x62 s VAL 59 N 1.26 -0.15 -1.37 -0.44 1.01 -0.90 -4.86 120.40 114.94 1x62 s VAL 59 Ca -0.05 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1x62 s VAL 59 Cb -0.20 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.74 1x62 s VAL 59 CO -0.01 -0.11 1.11 -0.62 0.00 0.00 0.00 175.10 175.47 1x62 n GLU 60 N 5.30 -7.30 -2.57 2.72 -0.58 -1.26 -1.48 120.64 115.47 1x62 n GLU 60 Ca -0.06 0.79 -0.19 0.00 -0.42 0.00 0.00 57.16 57.28 1x62 n GLU 60 Cb 0.49 -5.79 0.01 0.00 -0.57 0.00 0.00 31.44 25.58 1x62 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1x62 n ASP 61 N -3.00 -5.38 -4.03 1.62 2.03 -1.26 -4.99 116.55 101.53 1x62 n ASP 61 Ca -0.03 -0.11 -0.23 0.00 0.52 0.00 0.00 54.79 54.94 1x62 n ASP 61 Cb 0.57 -4.36 -0.09 0.00 -0.72 0.00 0.00 41.12 36.53 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 -5.15 1.80 -0.05 -0.67 -0.21 -0.55 -5.12 119.66 109.71 1x62 s GLN 62 Ca 0.10 -2.07 0.04 0.00 0.02 0.00 0.00 55.36 53.45 1x62 s GLN 62 Cb -0.05 -0.39 0.00 0.00 1.00 0.00 0.00 33.01 33.57 1x62 s GLN 62 CO 0.13 -0.47 -0.16 0.96 -2.12 0.00 0.00 175.29 173.63 1x62 s ILE 63 N -3.35 1.34 0.23 1.08 -4.36 -1.26 -2.12 121.20 112.77 1x62 s ILE 63 Ca 0.30 -0.65 -0.03 0.00 -0.26 0.00 0.00 60.65 60.01 1x62 s ILE 63 Cb 0.04 -1.17 -0.03 0.00 1.25 0.00 0.00 42.46 42.55 1x62 s ILE 63 CO 0.17 0.39 0.23 -0.31 0.24 0.00 0.00 174.94 175.66 1x62 s TYR 64 N 0.18 1.05 0.23 1.37 2.02 -1.23 -3.24 117.35 117.73 1x62 s TYR 64 Ca -0.06 -1.27 -0.20 0.00 -0.37 0.00 0.00 57.07 55.17 1x62 s TYR 64 Cb -0.12 -0.39 -0.08 0.00 -0.40 0.00 0.00 41.96 40.96 1x62 s TYR 64 CO 0.03 -0.76 0.73 0.00 -1.57 0.00 0.00 175.55 173.98 1x62 n GLU 66 N 0.65 -0.06 0.18 0.00 2.13 -1.25 0.57 120.64 122.85 1x62 n GLU 66 Ca -0.02 1.28 -0.10 0.00 0.66 0.00 0.00 57.16 58.98 1x62 n GLU 66 Cb 0.51 -2.14 -0.06 0.00 0.27 0.00 0.00 31.44 30.02 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 -0.57 0.48 5.31 3.64 -1.94 -2.17 116.57 121.33 1x62 h LYS 67 Ca 0.63 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 60.02 1x62 h LYS 67 Cb 1.49 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1x62 h LYS 67 CO -0.77 -0.38 -0.23 0.45 -2.27 0.00 0.00 179.45 176.25 1x62 h HIS 68 N -0.59 -0.60 -0.33 1.91 3.86 -1.20 -3.26 115.15 114.94 1x62 h HIS 68 Ca -0.04 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1x62 h HIS 68 Cb 0.51 0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1x62 h HIS 68 CO -0.15 -0.29 -0.20 0.00 0.86 0.00 0.00 177.93 178.15 1x62 n ALA 69 N -2.49 -0.21 -0.36 2.45 0.00 0.19 0.71 120.51 120.79 1x62 n ALA 69 Ca -0.11 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.67 1x62 n ALA 69 Cb 0.30 0.14 0.13 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.73 -0.10 -0.36 0.00 1.74 -0.82 0.14 116.66 113.53 1x62 n ARG 70 Ca 0.01 1.56 0.06 0.00 -0.77 0.00 0.00 57.85 58.70 1x62 n ARG 70 Cb 0.09 -2.32 0.22 0.00 -1.02 0.00 0.00 32.46 29.42 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 0.98 0.02 5.56 5.08 0.24 -2.59 114.58 123.87 1x62 h GLU 71 Ca 0.47 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1x62 h GLU 71 Cb 0.72 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x62 h GLU 71 CO -1.03 0.65 -0.01 0.00 -1.00 0.00 0.00 179.01 177.62 1x62 h ARG 72 N 1.01 -0.03 -0.59 2.33 3.08 0.21 -3.32 114.38 117.06 1x62 h ARG 72 Ca 0.47 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.58 1x62 h ARG 72 Cb 0.41 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1x62 h ARG 72 CO -0.25 0.53 -0.35 0.28 -1.07 0.00 0.00 179.97 179.11 1x62 n VAL 73 N -4.83 -0.40 -1.72 2.04 0.31 0.67 -4.31 118.33 110.09 1x62 n VAL 73 Ca -0.09 1.49 -0.42 0.00 -0.01 0.00 0.00 64.34 65.31 1x62 n VAL 73 Cb 0.29 -1.84 -0.01 0.00 -0.91 0.00 0.00 33.84 31.37 1x62 n VAL 73 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1x62 n SER 74 N -4.66 3.07 -3.96 4.52 2.88 -1.19 -4.75 113.62 109.53 1x62 n SER 74 Ca 0.01 1.20 -0.57 0.00 -1.33 0.00 0.00 58.87 58.19 1x62 n SER 74 Cb 0.15 -1.52 -0.08 0.00 -0.75 0.00 0.00 64.21 62.01 1x62 n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x62 n GLY 75 N 0.91 0.15 3.64 0.46 0.00 -1.26 -4.89 105.19 104.20 1x62 n GLY 75 Ca 0.05 0.84 -0.29 0.00 0.00 0.00 0.00 46.02 46.62 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 2.44 -0.20 0.04 1.61 0.04 -1.26 -4.98 135.00 132.69 1x62 s PRO 76 Ca 0.87 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.96 1x62 s PRO 76 Cb -1.25 -1.68 -0.17 0.00 0.04 0.00 0.00 34.50 31.44 1x62 s PRO 76 CO 0.68 -3.11 1.48 0.77 0.04 0.00 0.00 177.00 176.86 1x62 h SER 77 N -2.16 -0.24 -2.40 6.66 0.02 -1.98 -3.42 113.55 110.04 1x62 h SER 77 Ca -0.52 -0.14 -0.33 0.00 -0.84 0.00 0.00 61.79 59.96 1x62 h SER 77 Cb 1.32 0.06 -0.35 0.00 0.14 0.00 0.00 62.40 63.57 1x62 h SER 77 CO 0.50 0.00 -0.63 -0.44 -1.14 0.00 0.00 176.83 175.12 1x62 s SER 78 N -5.11 1.58 0.00 3.07 0.01 -1.26 -5.33 113.70 106.65 1x62 s SER 78 Ca -0.15 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1x62 s SER 78 Cb 0.04 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1x62 s SER 78 CO 0.62 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.53