#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 0.59 -0.07 1.61 0.01 -1.26 -5.18 113.70 109.39 1x62 s SER 2 Ca 0.00 -1.34 -0.20 0.00 1.31 0.00 0.00 55.95 55.72 1x62 s SER 2 Cb 0.00 0.61 0.04 0.00 0.21 0.00 0.00 66.02 66.88 1x62 s SER 2 CO 0.00 -1.20 0.46 -0.94 0.41 0.00 0.00 173.24 171.98 1x62 s SER 3 N -3.18 -0.41 0.09 2.44 1.04 -1.26 -5.17 113.70 107.25 1x62 s SER 3 Ca 0.30 0.53 -0.22 0.00 0.48 0.00 0.00 55.95 57.03 1x62 s SER 3 Cb 0.01 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.78 1x62 s SER 3 CO 0.17 -0.41 1.05 0.61 0.98 0.00 0.00 173.24 175.64 1x62 n GLY 4 N 1.64 0.48 2.88 7.32 0.00 -1.26 -5.14 105.19 111.12 1x62 n GLY 4 Ca -0.18 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.41 3.29 0.28 1.61 0.01 -1.26 -5.13 113.70 109.09 1x62 s SER 5 Ca 0.24 -0.91 0.11 0.00 1.31 0.00 0.00 55.95 56.70 1x62 s SER 5 Cb -0.02 -0.97 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 1x62 s SER 5 CO 0.03 -0.23 -0.15 -0.55 0.41 0.00 0.00 173.24 172.74 1x62 s SER 6 N 1.57 3.78 0.00 2.44 0.15 -1.26 -5.11 113.70 115.28 1x62 s SER 6 Ca -0.02 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1x62 s SER 6 Cb -0.17 -0.41 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1x62 s SER 6 CO -0.07 0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1x62 n GLY 7 N -0.69 4.00 2.87 9.45 0.00 -1.26 -5.11 105.19 114.46 1x62 n GLY 7 Ca -0.05 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 1x62 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x62 s SER 8 N 0.00 0.60 0.82 1.61 0.15 -1.26 -5.15 113.70 110.48 1x62 s SER 8 Ca 0.00 -0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.41 1x62 s SER 8 Cb 0.00 0.96 0.09 0.00 -1.71 0.00 0.00 66.02 65.35 1x62 s SER 8 CO 0.00 -0.33 1.10 0.27 1.20 0.00 0.00 173.24 175.48 1x62 s ILE 9 N 2.50 2.94 0.00 6.45 -5.25 -1.26 -4.92 121.20 121.66 1x62 s ILE 9 Ca 0.11 0.31 0.00 0.00 -0.99 0.00 0.00 60.65 60.07 1x62 s ILE 9 Cb -0.14 -2.67 0.00 0.00 2.95 0.00 0.00 42.46 42.59 1x62 s ILE 9 CO -0.22 -0.40 0.00 0.61 -1.79 0.00 0.00 174.94 173.14 1x62 n GLY 10 N -0.83 1.35 3.74 6.27 0.00 -1.26 -5.03 105.19 109.43 1x62 n GLY 10 Ca 0.09 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1x62 n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1x62 s ASN 11 N 0.00 4.74 -0.03 1.61 2.47 -1.26 -5.04 114.94 117.43 1x62 s ASN 11 Ca 0.00 2.57 -0.02 0.00 0.42 0.00 0.00 52.86 55.83 1x62 s ASN 11 Cb 0.00 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.20 1x62 s ASN 11 CO 0.00 -1.91 0.06 0.00 -3.72 0.00 0.00 177.10 171.53 1x62 s ALA 12 N -1.45 -0.13 -0.03 1.71 0.00 -1.26 -5.16 121.76 115.44 1x62 s ALA 12 Ca 0.81 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1x62 s ALA 12 Cb -0.36 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1x62 s ALA 12 CO 0.38 -0.05 0.11 -1.14 0.00 0.00 0.00 175.76 175.06 1x62 s GLN 13 N 0.21 0.18 -0.13 0.00 0.74 -1.26 -5.15 119.66 114.25 1x62 s GLN 13 Ca -0.02 0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.43 1x62 s GLN 13 Cb -0.02 0.08 -0.03 0.00 1.10 0.00 0.00 33.01 34.14 1x62 s GLN 13 CO -0.01 -0.03 -0.05 0.21 -0.55 0.00 0.00 175.29 174.87 1x62 s LYS 14 N -0.17 3.40 0.75 1.67 2.47 -1.26 -5.11 119.74 121.49 1x62 s LYS 14 Ca -0.02 -0.53 -0.13 0.00 -1.56 0.00 0.00 55.97 53.73 1x62 s LYS 14 Cb -0.02 -2.81 0.05 0.00 -1.46 0.00 0.00 37.83 33.59 1x62 s LYS 14 CO 0.00 0.37 1.13 -0.51 0.16 0.00 0.00 175.35 176.50 1x62 s LEU 15 N 0.00 3.17 -0.33 5.43 2.01 -1.26 -4.92 118.68 122.77 1x62 s LEU 15 Ca 0.00 2.03 -0.29 0.00 0.01 0.00 0.00 54.13 55.89 1x62 s LEU 15 Cb -0.13 -4.55 -0.01 0.00 0.01 0.00 0.00 46.19 41.50 1x62 s LEU 15 CO 0.03 -2.13 1.68 -2.16 1.01 0.00 0.00 176.35 174.79 1x62 s PRO 16 N -4.43 3.46 -0.06 1.29 0.04 -1.26 -4.38 135.00 129.66 1x62 s PRO 16 Ca 0.66 1.36 -0.34 0.00 0.04 0.00 0.00 61.00 62.73 1x62 s PRO 16 Cb -0.21 -4.13 -0.12 0.00 0.04 0.00 0.00 34.50 30.08 1x62 s PRO 16 CO 0.50 -1.70 1.87 -1.33 0.04 0.00 0.00 177.00 176.38 1x62 n MET 17 N 8.23 2.24 -1.65 4.56 2.81 -1.26 -2.51 117.12 129.54 1x62 n MET 17 Ca 0.21 0.82 -0.46 0.00 -1.81 0.00 0.00 57.70 56.46 1x62 n MET 17 Cb 0.47 -2.67 -0.03 0.00 -0.71 0.00 0.00 33.22 30.27 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 4.57 0.82 0.65 0.00 1.82 -1.78 0.20 116.42 122.71 1x62 h ASP 19 Ca -0.45 -0.27 -0.03 0.00 -0.39 0.00 0.00 57.03 55.89 1x62 h ASP 19 Cb 1.28 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1x62 h ASP 19 CO 0.78 0.97 -0.37 0.50 -1.61 0.00 0.00 179.24 179.52 1x62 h LYS 20 N 0.74 -0.91 0.00 0.28 1.63 -1.88 -3.41 116.57 113.02 1x62 h LYS 20 Ca 0.12 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1x62 h LYS 20 Cb 0.65 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1x62 h LYS 20 CO 0.05 -0.61 -0.07 0.00 -3.45 0.00 0.00 179.45 175.37 1x62 n GLY 22 N 1.63 0.64 2.96 0.00 0.00 0.69 -4.96 105.19 106.15 1x62 n GLY 22 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 0.42 -0.43 2.61 -4.23 -1.26 -4.73 115.64 108.02 1x62 s THR 23 Ca 0.00 -0.22 -0.42 0.00 -1.18 0.00 0.00 61.69 59.87 1x62 s THR 23 Cb 0.00 -0.36 -0.17 0.00 1.34 0.00 0.00 72.50 73.31 1x62 s THR 23 CO 0.00 0.12 1.99 0.61 -0.54 0.00 0.00 174.62 176.80 1x62 n GLY 24 N 3.00 0.22 3.56 3.99 0.00 -1.26 -2.06 105.19 112.65 1x62 n GLY 24 Ca -0.13 1.03 -0.40 0.00 0.00 0.00 0.00 46.02 46.51 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 5.35 3.61 -0.31 -0.61 1.01 -1.04 -4.92 121.20 124.29 1x62 s ILE 25 Ca 1.11 0.43 -0.12 0.00 0.00 0.00 0.00 60.65 62.07 1x62 s ILE 25 Cb -1.29 -4.37 -0.03 0.00 0.01 0.00 0.00 42.46 36.78 1x62 s ILE 25 CO 0.65 -1.24 0.23 0.54 0.00 0.00 0.00 174.94 175.12 1x62 s VAL 26 N 7.02 5.28 0.00 2.92 0.11 -1.26 -4.45 120.40 130.03 1x62 s VAL 26 Ca 0.54 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1x62 s VAL 26 Cb -0.11 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 31.10 1x62 s VAL 26 CO 0.21 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1x62 n GLY 27 N 5.06 0.02 3.75 6.54 0.00 -1.26 -4.99 105.19 114.30 1x62 n GLY 27 Ca -0.13 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 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 2.53 0.14 1.61 0.11 -1.26 -5.02 120.40 118.50 1x62 s VAL 28 Ca 0.00 0.36 -0.25 0.00 -2.93 0.00 0.00 61.98 59.16 1x62 s VAL 28 Cb 0.00 -3.16 0.08 0.00 -1.53 0.00 0.00 36.38 31.76 1x62 s VAL 28 CO 0.00 -0.04 1.04 0.72 -3.33 0.00 0.00 175.10 173.49 1x62 s PHE 29 N -1.49 -0.04 -0.44 1.54 -0.12 -1.26 -4.33 117.98 111.84 1x62 s PHE 29 Ca 0.74 -0.27 -0.12 0.00 -0.05 0.00 0.00 56.93 57.23 1x62 s PHE 29 Cb -0.33 0.65 0.08 0.00 -0.63 0.00 0.00 43.02 42.79 1x62 s PHE 29 CO 0.38 -0.78 0.32 0.08 -0.05 0.00 0.00 175.22 175.17 1x62 s VAL 30 N -2.74 4.64 -0.43 -2.49 1.01 -0.39 -4.79 120.40 115.21 1x62 s VAL 30 Ca 0.16 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 1x62 s VAL 30 Cb -0.01 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1x62 s VAL 30 CO 0.03 -0.56 1.32 -0.75 0.00 0.00 0.00 175.10 175.14 1x62 s LYS 31 N 1.51 3.63 0.64 2.72 2.36 -1.26 -2.47 119.74 126.86 1x62 s LYS 31 Ca 0.03 0.82 -0.09 0.00 -2.55 0.00 0.00 55.97 54.18 1x62 s LYS 31 Cb -0.24 -3.98 -0.00 0.00 -1.05 0.00 0.00 37.83 32.56 1x62 s LYS 31 CO 0.04 -1.50 1.00 -0.51 1.55 0.00 0.00 175.35 175.93 1x62 s LEU 32 N 5.10 3.11 0.00 5.43 1.43 0.14 -4.98 118.68 128.91 1x62 s LEU 32 Ca 0.57 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1x62 s LEU 32 Cb -0.12 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1x62 s LEU 32 CO 0.32 -1.11 0.49 0.54 0.23 0.00 0.00 176.35 176.82 1x62 n ARG 33 N -2.78 0.00 -0.05 1.70 3.00 -1.26 -2.84 116.66 114.43 1x62 n ARG 33 Ca 0.06 0.49 0.02 0.00 -0.01 0.00 0.00 57.85 58.41 1x62 n ARG 33 Cb 0.57 -0.80 0.05 0.00 0.00 0.00 0.00 32.46 32.27 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 -1.87 2.27 -4.30 0.55 8.00 -1.26 -5.04 116.55 114.90 1x62 n ASP 34 Ca 0.00 -2.16 -0.24 0.00 0.71 0.00 0.00 54.79 53.10 1x62 n ASP 34 Cb 0.00 -0.11 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.28 1.80 -0.01 -1.24 1.81 -1.13 -5.17 118.95 113.73 1x62 s ARG 35 Ca 0.09 -2.06 -0.00 0.00 -1.72 0.00 0.00 55.73 52.04 1x62 s ARG 35 Cb 0.07 -0.75 0.00 0.00 -0.45 0.00 0.00 34.95 33.82 1x62 s ARG 35 CO 0.03 -0.34 0.02 -1.01 -0.68 0.00 0.00 175.30 173.32 1x62 s HIS 36 N -3.26 -0.01 0.08 -0.53 3.76 -1.26 0.26 115.29 114.33 1x62 s HIS 36 Ca 0.29 0.05 -0.08 0.00 -0.15 0.00 0.00 55.06 55.17 1x62 s HIS 36 Cb 0.05 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.72 1x62 s HIS 36 CO 0.14 -0.02 0.16 1.03 -0.85 0.00 0.00 174.74 175.20 1x62 s ARG 37 N 0.13 0.81 0.88 1.40 0.52 -1.03 -2.22 118.95 119.44 1x62 s ARG 37 Ca -0.01 -0.99 -0.10 0.00 -0.52 0.00 0.00 55.73 54.10 1x62 s ARG 37 Cb -0.02 0.32 0.12 0.00 0.52 0.00 0.00 34.95 35.90 1x62 s ARG 37 CO -0.00 -0.24 1.12 -1.01 0.02 0.00 0.00 175.30 175.18 1x62 s HIS 38 N -3.85 1.96 -1.03 -0.53 3.76 -1.26 -1.26 115.29 113.07 1x62 s HIS 38 Ca 0.05 1.65 0.14 0.00 -0.15 0.00 0.00 55.06 56.75 1x62 s HIS 38 Cb 0.05 -3.22 0.62 0.00 1.11 0.00 0.00 32.58 31.14 1x62 s HIS 38 CO -0.11 -2.52 1.45 -0.35 -0.85 0.00 0.00 174.74 172.36 1x62 n PRO 39 N -4.02 0.02 -0.01 8.40 -0.04 -1.26 -2.28 135.00 135.81 1x62 n PRO 39 Ca 0.10 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 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 -1.48 2.55 0.00 0.54 0.28 -1.26 -4.57 120.64 116.70 1x62 n GLU 40 Ca 0.04 -0.01 0.14 0.00 -0.16 0.00 0.00 57.16 57.17 1x62 n GLU 40 Cb 0.16 -1.08 0.67 0.00 1.43 0.00 0.00 31.44 32.62 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 -1.38 0.00 -1.34 0.00 9.36 -0.96 -4.79 117.16 118.04 1x62 n TYR 42 Ca 0.10 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.03 1x62 n TYR 42 Cb 0.29 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 39.15 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 2.24 0.76 2.97 -7.23 -1.21 -4.18 120.40 111.75 1x62 s VAL 43 Ca 0.23 0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 60.34 1x62 s VAL 43 Cb 0.10 -2.68 0.06 0.00 0.56 0.00 0.00 36.38 34.42 1x62 s VAL 43 CO 0.17 -0.10 1.18 0.00 -0.31 0.00 0.00 175.10 176.04 1x62 h THR 45 N -0.62 0.83 0.30 0.00 2.02 -1.88 -3.07 112.91 110.49 1x62 h THR 45 Ca -0.46 -2.60 -0.01 0.00 0.77 0.00 0.00 66.41 64.11 1x62 h THR 45 Cb 1.28 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.22 1x62 h THR 45 CO 0.49 0.71 -0.14 -0.78 0.37 0.00 0.00 175.52 176.16 1x62 h ASP 46 N 0.04 -0.34 0.00 4.18 3.58 -1.93 -3.42 116.42 118.52 1x62 h ASP 46 Ca -0.32 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1x62 h ASP 46 Cb 2.02 0.09 0.00 0.00 1.72 0.00 0.00 39.33 43.16 1x62 h ASP 46 CO 0.10 -0.17 -0.54 0.00 -2.88 0.00 0.00 179.24 175.75 1x62 n GLY 48 N 1.57 0.72 3.76 0.00 0.00 -1.16 -4.96 105.19 105.13 1x62 n GLY 48 Ca -0.08 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.16 4.20 -0.27 2.61 -1.32 -1.26 -4.67 115.64 114.77 1x62 s THR 49 Ca 0.00 -1.36 -0.28 0.00 -1.21 0.00 0.00 61.69 58.84 1x62 s THR 49 Cb 0.00 -3.20 -0.03 0.00 -1.51 0.00 0.00 72.50 67.76 1x62 s THR 49 CO 0.00 -0.23 1.89 0.21 -2.21 0.00 0.00 174.62 174.28 1x62 s ASN 50 N -3.40 5.87 -0.03 8.08 3.84 -1.26 -1.92 114.94 126.13 1x62 s ASN 50 Ca 0.31 1.55 0.12 0.00 0.21 0.00 0.00 52.86 55.05 1x62 s ASN 50 Cb -0.09 -2.52 0.39 0.00 -0.55 0.00 0.00 41.25 38.48 1x62 s ASN 50 CO 0.23 -1.68 1.29 0.18 -2.79 0.00 0.00 177.10 174.32 1x62 n LEU 51 N 10.27 2.54 0.16 3.21 4.77 -1.26 -4.29 117.00 132.40 1x62 n LEU 51 Ca 0.24 -1.28 -0.14 0.00 -0.03 0.00 0.00 56.01 54.80 1x62 n LEU 51 Cb 0.46 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1x62 n LEU 51 CO 0.67 0.55 0.67 0.50 -1.33 0.00 0.00 177.39 178.45 1x62 h LYS 52 N 2.44 -0.55 0.00 3.23 1.63 -1.88 -1.90 116.57 119.54 1x62 h LYS 52 Ca 0.00 0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.74 1x62 h LYS 52 Cb 0.72 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 1x62 h LYS 52 CO 0.05 -0.37 -1.01 1.04 -3.45 0.00 0.00 179.45 175.72 1x62 n GLN 53 N -5.40 0.51 -0.31 1.90 1.13 -1.26 -4.41 117.38 109.53 1x62 n GLN 53 Ca -0.08 0.42 0.16 0.00 -1.94 0.00 0.00 57.00 55.56 1x62 n GLN 53 Cb 0.31 -1.61 0.33 0.00 0.11 0.00 0.00 30.24 29.38 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 -1.00 0.12 0.00 -1.09 1.57 -1.75 -3.47 116.57 110.95 1x62 h LYS 54 Ca -0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1x62 h LYS 54 Cb 0.91 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1x62 h LYS 54 CO -0.09 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 1x62 n GLY 55 N -1.40 2.68 3.48 3.86 0.00 -0.71 -4.73 105.19 108.38 1x62 n GLY 55 Ca 0.24 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 2.33 0.27 1.61 -3.43 -1.26 -3.66 115.29 108.66 1x62 s HIS 56 Ca 0.00 -0.32 0.05 0.00 -0.80 0.00 0.00 55.06 53.99 1x62 s HIS 56 Cb 0.00 -1.02 -0.06 0.00 -1.43 0.00 0.00 32.58 30.07 1x62 s HIS 56 CO 0.00 0.69 -0.01 -0.06 -2.00 0.00 0.00 174.74 173.36 1x62 s PHE 57 N -2.42 1.80 -0.30 0.38 0.08 -0.71 -4.92 117.98 111.90 1x62 s PHE 57 Ca 0.29 -0.84 -0.05 0.00 0.12 0.00 0.00 56.93 56.46 1x62 s PHE 57 Cb -0.05 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.35 1x62 s PHE 57 CO 0.15 0.10 0.04 -0.06 -0.10 0.00 0.00 175.22 175.35 1x62 s PHE 58 N -3.23 3.20 -0.05 0.36 0.08 -1.26 -3.26 117.98 113.82 1x62 s PHE 58 Ca 0.31 -1.44 -0.02 0.00 0.12 0.00 0.00 56.93 55.90 1x62 s PHE 58 Cb 0.06 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.35 1x62 s PHE 58 CO 0.11 -0.71 0.08 0.08 -0.10 0.00 0.00 175.22 174.68 1x62 s VAL 59 N 1.38 -0.14 -1.50 -0.44 1.01 -0.79 -4.86 120.40 115.06 1x62 s VAL 59 Ca -0.01 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 1x62 s VAL 59 Cb -0.18 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1x62 s VAL 59 CO 0.01 0.17 0.99 -0.62 0.00 0.00 0.00 175.10 175.64 1x62 n GLU 60 N 5.30 -5.80 -2.54 2.72 1.02 -1.26 -0.63 120.64 119.46 1x62 n GLU 60 Ca -0.03 0.64 -0.17 0.00 -0.02 0.00 0.00 57.16 57.57 1x62 n GLU 60 Cb 0.50 -5.55 0.01 0.00 -0.02 0.00 0.00 31.44 26.38 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 -2.83 -5.05 -4.15 1.62 2.03 -1.26 -5.00 116.55 101.92 1x62 n ASP 61 Ca 0.03 -0.10 -0.21 0.00 0.52 0.00 0.00 54.79 55.03 1x62 n ASP 61 Cb 0.53 -4.05 -0.09 0.00 -0.72 0.00 0.00 41.12 36.79 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 -5.08 1.69 -0.04 -0.67 -0.21 0.20 -5.15 119.66 110.40 1x62 s GLN 62 Ca 0.10 -1.98 0.06 0.00 0.02 0.00 0.00 55.36 53.55 1x62 s GLN 62 Cb -0.04 -0.42 -0.01 0.00 1.00 0.00 0.00 33.01 33.53 1x62 s GLN 62 CO 0.12 -0.39 -0.21 0.96 -2.12 0.00 0.00 175.29 173.65 1x62 s ILE 63 N -3.44 1.68 0.26 1.08 -4.36 -1.26 -1.89 121.20 113.27 1x62 s ILE 63 Ca 0.32 -0.88 -0.04 0.00 -0.26 0.00 0.00 60.65 59.79 1x62 s ILE 63 Cb 0.05 -1.42 -0.02 0.00 1.25 0.00 0.00 42.46 42.33 1x62 s ILE 63 CO 0.16 0.48 0.33 -0.31 0.24 0.00 0.00 174.94 175.83 1x62 s TYR 64 N -0.23 0.94 0.24 1.37 2.02 -1.20 -2.56 117.35 117.93 1x62 s TYR 64 Ca 0.01 -1.18 -0.20 0.00 -0.37 0.00 0.00 57.07 55.33 1x62 s TYR 64 Cb -0.11 -0.23 -0.08 0.00 -0.40 0.00 0.00 41.96 41.14 1x62 s TYR 64 CO 0.01 -0.88 0.75 0.00 -1.57 0.00 0.00 175.55 173.86 1x62 n GLU 66 N 0.65 -0.06 0.12 0.00 2.13 -1.24 0.32 120.64 122.56 1x62 n GLU 66 Ca -0.02 1.25 -0.06 0.00 0.66 0.00 0.00 57.16 58.99 1x62 n GLU 66 Cb 0.51 -2.12 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 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 -0.35 0.47 5.31 3.11 -1.93 -2.43 116.57 120.75 1x62 h LYS 67 Ca 0.64 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 58.49 1x62 h LYS 67 Cb 1.57 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.88 1x62 h LYS 67 CO -0.74 -0.23 -0.24 0.45 -2.81 0.00 0.00 179.45 175.88 1x62 h HIS 68 N -0.36 -0.64 -0.71 1.91 3.86 -1.31 -3.10 115.15 114.80 1x62 h HIS 68 Ca -0.03 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1x62 h HIS 68 Cb 0.30 0.22 -0.09 0.00 1.06 0.00 0.00 27.41 28.90 1x62 h HIS 68 CO -0.03 -0.39 -0.40 0.00 0.86 0.00 0.00 177.93 177.97 1x62 n ALA 69 N -2.40 -0.40 -0.17 2.45 0.00 0.15 0.10 120.51 120.24 1x62 n ALA 69 Ca -0.11 0.62 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 1x62 n ALA 69 Cb 0.28 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 19.65 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 0.01 -0.91 0.00 3.08 -1.36 0.16 114.38 115.36 1x62 h ARG 70 Ca 0.13 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.29 1x62 h ARG 70 Cb 0.31 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 1x62 h ARG 70 CO -0.67 0.01 0.55 0.93 -1.07 0.00 0.00 179.97 179.72 1x62 h GLU 71 N 0.02 0.87 0.12 0.04 4.39 0.74 -2.57 114.58 118.19 1x62 h GLU 71 Ca 0.25 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 1x62 h GLU 71 Cb 0.38 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1x62 h GLU 71 CO -0.52 0.58 -0.06 0.00 -1.16 0.00 0.00 179.01 177.85 1x62 h ARG 72 N 0.90 -0.16 -0.69 2.33 3.08 0.62 -3.30 114.38 117.16 1x62 h ARG 72 Ca 0.45 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.57 1x62 h ARG 72 Cb 0.41 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.42 1x62 h ARG 72 CO -0.25 0.22 -0.40 0.28 -1.07 0.00 0.00 179.97 178.74 1x62 n VAL 73 N -4.98 -0.47 -3.68 2.04 0.31 0.35 -3.87 118.33 108.03 1x62 n VAL 73 Ca -0.09 1.72 -0.37 0.00 -0.01 0.00 0.00 64.34 65.59 1x62 n VAL 73 Cb 0.24 -2.13 -0.11 0.00 -0.91 0.00 0.00 33.84 30.92 1x62 n VAL 73 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1x62 s SER 74 N -5.24 5.66 0.13 4.52 0.01 -1.17 -5.04 113.70 112.57 1x62 s SER 74 Ca -0.08 -0.07 -0.26 0.00 1.31 0.00 0.00 55.95 56.84 1x62 s SER 74 Cb 0.08 -2.03 -0.15 0.00 0.21 0.00 0.00 66.02 64.12 1x62 s SER 74 CO 0.43 -0.03 0.55 0.61 0.41 0.00 0.00 173.24 175.21 1x62 n GLY 75 N 4.88 -1.19 3.73 3.44 0.00 -1.25 -4.81 105.19 109.99 1x62 n GLY 75 Ca -0.15 0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.65 4.37 -0.04 1.61 0.04 -1.26 -5.03 135.00 134.04 1x62 s PRO 76 Ca 0.59 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 1x62 s PRO 76 Cb -0.85 -3.22 0.03 0.00 0.04 0.00 0.00 34.50 30.50 1x62 s PRO 76 CO 0.47 -0.31 0.06 -1.54 0.04 0.00 0.00 177.00 175.72 1x62 s SER 77 N 0.63 1.10 -0.02 6.66 1.04 -1.26 -5.14 113.70 116.71 1x62 s SER 77 Ca 0.59 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.10 1x62 s SER 77 Cb -0.36 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 65.63 1x62 s SER 77 CO 0.35 -0.24 0.01 -0.55 0.98 0.00 0.00 173.24 173.79 1x62 s SER 78 N 2.09 0.26 0.00 7.02 0.15 -1.26 -5.30 113.70 116.66 1x62 s SER 78 Ca 0.04 -0.00 0.16 0.00 0.70 0.00 0.00 55.95 56.85 1x62 s SER 78 Cb -0.12 -0.14 0.13 0.00 -1.71 0.00 0.00 66.02 64.17 1x62 s SER 78 CO -0.03 -0.10 1.01 0.61 1.20 0.00 0.00 173.24 175.92