#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 -0.10 0.32 1.61 0.01 -1.26 -5.18 113.70 109.11 1x62 s SER 2 Ca 0.00 -0.10 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1x62 s SER 2 Cb 0.00 0.30 -0.06 0.00 0.21 0.00 0.00 66.02 66.47 1x62 s SER 2 CO 0.00 -0.49 0.08 -0.55 0.41 0.00 0.00 173.24 172.69 1x62 s SER 3 N -1.63 2.17 -0.04 2.44 0.15 -1.26 -5.17 113.70 110.36 1x62 s SER 3 Ca -0.10 -1.42 -0.04 0.00 0.70 0.00 0.00 55.95 55.09 1x62 s SER 3 Cb -0.04 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1x62 s SER 3 CO 0.01 -0.68 0.11 -0.83 1.20 0.00 0.00 173.24 173.04 1x62 s GLY 4 N -3.47 -0.08 0.51 9.45 0.00 -1.26 -5.17 107.32 107.31 1x62 s GLY 4 Ca 0.35 0.31 0.02 0.00 0.00 0.00 0.00 44.72 45.40 1x62 s GLY 4 CO 0.15 0.28 0.06 -1.35 0.00 0.00 0.00 173.10 172.25 1x62 s SER 5 N 0.10 4.19 0.09 1.64 1.04 -1.26 -5.16 113.70 114.34 1x62 s SER 5 Ca -0.00 -1.56 -0.26 0.00 0.48 0.00 0.00 55.95 54.61 1x62 s SER 5 Cb -0.01 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.60 1x62 s SER 5 CO -0.00 -0.85 0.67 -0.94 0.98 0.00 0.00 173.24 173.10 1x62 s SER 6 N -3.92 -0.55 0.00 7.02 1.04 -1.26 -5.14 113.70 110.89 1x62 s SER 6 Ca 0.13 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1x62 s SER 6 Cb 0.02 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1x62 s SER 6 CO 0.07 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1x62 n GLY 7 N -0.10 2.85 3.83 7.32 0.00 -1.26 -5.16 105.19 112.68 1x62 n GLY 7 Ca -0.16 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 5.66 -0.17 1.61 0.01 -1.26 -5.11 113.70 114.44 1x62 s SER 8 Ca 0.00 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 1x62 s SER 8 Cb 0.00 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.72 1x62 s SER 8 CO 0.00 0.02 -0.11 -0.51 0.41 0.00 0.00 173.24 173.05 1x62 s ILE 9 N -1.91 3.08 0.04 1.44 -1.16 -1.26 -5.00 121.20 116.43 1x62 s ILE 9 Ca 0.32 -0.63 0.00 0.00 -0.51 0.00 0.00 60.65 59.84 1x62 s ILE 9 Cb -0.09 -2.33 0.00 0.00 0.61 0.00 0.00 42.46 40.65 1x62 s ILE 9 CO 0.25 0.49 0.00 0.61 -2.81 0.00 0.00 174.94 173.48 1x62 n GLY 10 N 4.06 0.02 3.58 1.50 0.00 -1.26 -5.07 105.19 108.02 1x62 n GLY 10 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1x62 n GLY 10 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x62 n ASN 11 N -2.85 0.42 -4.61 1.61 3.02 -1.26 -5.00 115.26 106.59 1x62 n ASN 11 Ca 0.00 0.82 -0.31 0.00 -0.03 0.00 0.00 54.58 55.06 1x62 n ASN 11 Cb 0.00 -1.33 -0.10 0.00 -0.61 0.00 0.00 39.78 37.74 1x62 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x62 s ALA 12 N -1.53 3.05 0.25 5.41 0.00 -1.26 -5.11 121.76 122.57 1x62 s ALA 12 Ca 0.72 -1.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 1x62 s ALA 12 Cb -0.44 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 1x62 s ALA 12 CO 0.50 0.64 0.85 -1.14 0.00 0.00 0.00 175.76 176.61 1x62 s GLN 13 N -1.86 4.53 -0.14 0.00 0.74 -1.26 -4.97 119.66 116.70 1x62 s GLN 13 Ca 0.20 1.19 0.15 0.00 0.05 0.00 0.00 55.36 56.96 1x62 s GLN 13 Cb -0.11 -2.99 0.50 0.00 1.10 0.00 0.00 33.01 31.51 1x62 s GLN 13 CO 0.12 0.41 1.41 1.17 -0.55 0.00 0.00 175.29 177.84 1x62 n LYS 14 N 0.95 3.01 -4.59 1.67 4.81 -1.26 -4.98 118.16 117.77 1x62 n LYS 14 Ca -0.01 -2.70 -0.32 0.00 -0.87 0.00 0.00 58.31 54.40 1x62 n LYS 14 Cb 0.50 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 33.68 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x62 s LEU 15 N -2.45 3.00 -0.58 3.14 1.43 -1.26 -5.06 118.68 116.89 1x62 s LEU 15 Ca 0.39 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.04 1x62 s LEU 15 Cb 0.30 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1x62 s LEU 15 CO 0.11 0.30 1.84 -2.16 0.23 0.00 0.00 176.35 176.67 1x62 s PRO 16 N -1.22 2.71 0.20 1.29 0.04 -1.26 -4.63 135.00 132.12 1x62 s PRO 16 Ca 0.15 0.68 -0.32 0.00 0.04 0.00 0.00 61.00 61.56 1x62 s PRO 16 Cb -0.11 -4.36 -0.11 0.00 0.04 0.00 0.00 34.50 29.95 1x62 s PRO 16 CO 0.05 -2.63 1.68 -1.64 0.04 0.00 0.00 177.00 174.50 1x62 s MET 17 N 6.87 4.15 0.84 4.56 -1.94 -1.26 -2.33 119.30 130.19 1x62 s MET 17 Ca 0.68 2.54 -0.14 0.00 -1.71 0.00 0.00 55.69 57.06 1x62 s MET 17 Cb -0.13 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.62 1x62 s MET 17 CO 0.22 -0.71 0.48 0.00 -0.01 0.00 0.00 175.02 175.00 1x62 n ASP 19 N -0.85 1.86 0.09 0.00 9.92 -1.06 -3.27 116.55 123.23 1x62 n ASP 19 Ca 0.08 -0.02 -0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1x62 n ASP 19 Cb 0.52 -0.44 -0.02 0.00 -0.64 0.00 0.00 41.12 40.54 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 0.02 -0.22 0.00 -1.24 3.11 -1.87 -3.39 116.57 112.98 1x62 h LYS 20 Ca -0.53 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.30 1x62 h LYS 20 Cb 1.96 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 33.24 1x62 h LYS 20 CO -0.03 -0.14 -0.22 0.00 -2.81 0.00 0.00 179.45 176.25 1x62 n GLY 22 N 1.64 0.76 3.08 0.00 0.00 -1.20 -5.02 105.19 104.44 1x62 n GLY 22 Ca -0.10 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.43 0.05 -0.24 2.61 -4.23 -1.26 -4.78 115.64 106.36 1x62 s THR 23 Ca 0.00 -0.42 -0.33 0.00 -1.18 0.00 0.00 61.69 59.76 1x62 s THR 23 Cb 0.00 -0.35 -0.10 0.00 1.34 0.00 0.00 72.50 73.39 1x62 s THR 23 CO 0.00 -0.23 2.11 0.61 -0.54 0.00 0.00 174.62 176.57 1x62 n GLY 24 N 2.06 0.91 3.80 3.99 0.00 -1.26 -0.14 105.19 114.55 1x62 n GLY 24 Ca -0.19 0.87 -0.33 0.00 0.00 0.00 0.00 46.02 46.37 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 6.70 3.80 -0.17 -0.61 1.01 -0.98 -4.90 121.20 126.04 1x62 s ILE 25 Ca 1.03 0.93 -0.08 0.00 0.00 0.00 0.00 60.65 62.52 1x62 s ILE 25 Cb -0.67 -3.40 0.07 0.00 0.01 0.00 0.00 42.46 38.47 1x62 s ILE 25 CO 0.46 -0.43 0.39 0.54 0.00 0.00 0.00 174.94 175.91 1x62 s VAL 26 N -2.31 -0.24 0.00 2.92 0.11 -1.26 -4.42 120.40 115.20 1x62 s VAL 26 Ca 0.65 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1x62 s VAL 26 Cb -0.16 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1x62 s VAL 26 CO 0.32 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.75 1x62 n GLY 27 N 4.68 0.44 3.77 6.54 0.00 -1.26 -4.88 105.19 114.49 1x62 n GLY 27 Ca -0.18 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 2.26 0.01 1.61 0.11 -1.26 -5.01 120.40 118.13 1x62 s VAL 28 Ca 0.00 0.26 -0.28 0.00 -2.93 0.00 0.00 61.98 59.03 1x62 s VAL 28 Cb 0.00 -3.16 0.10 0.00 -1.53 0.00 0.00 36.38 31.78 1x62 s VAL 28 CO 0.00 0.06 0.92 0.72 -3.33 0.00 0.00 175.10 173.47 1x62 s PHE 29 N -1.14 -0.29 -0.58 1.54 -0.12 -1.26 -4.58 117.98 111.54 1x62 s PHE 29 Ca 0.53 0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 57.34 1x62 s PHE 29 Cb -0.44 0.55 0.08 0.00 -0.63 0.00 0.00 43.02 42.58 1x62 s PHE 29 CO 0.59 -0.57 0.76 0.08 -0.05 0.00 0.00 175.22 176.03 1x62 s VAL 30 N -3.10 4.69 -0.57 -2.49 1.01 0.23 -4.88 120.40 115.28 1x62 s VAL 30 Ca 0.07 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 1x62 s VAL 30 Cb -0.01 -4.49 0.02 0.00 0.00 0.00 0.00 36.38 31.90 1x62 s VAL 30 CO -0.07 -1.11 1.37 -0.75 0.00 0.00 0.00 175.10 174.55 1x62 s LYS 31 N 3.09 3.33 0.66 2.72 2.36 -1.26 -2.12 119.74 128.52 1x62 s LYS 31 Ca 0.16 0.39 -0.09 0.00 -2.55 0.00 0.00 55.97 53.88 1x62 s LYS 31 Cb -0.20 -4.11 0.02 0.00 -1.05 0.00 0.00 37.83 32.48 1x62 s LYS 31 CO 0.10 -1.91 1.02 -0.51 1.55 0.00 0.00 175.35 175.60 1x62 s LEU 32 N 5.88 3.02 0.00 5.43 1.43 0.91 -4.99 118.68 130.36 1x62 s LEU 32 Ca 0.50 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 1x62 s LEU 32 Cb -0.10 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1x62 s LEU 32 CO 0.25 -1.26 0.42 0.54 0.23 0.00 0.00 176.35 176.53 1x62 n ARG 33 N -2.85 0.00 -0.06 1.70 1.74 -1.26 -2.94 116.66 112.98 1x62 n ARG 33 Ca 0.06 0.42 0.03 0.00 -0.77 0.00 0.00 57.85 57.59 1x62 n ARG 33 Cb 0.58 -0.72 0.06 0.00 -1.02 0.00 0.00 32.46 31.36 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1x62 n ASP 34 N -1.51 2.31 -4.29 0.55 5.75 -1.26 -5.04 116.55 113.07 1x62 n ASP 34 Ca 0.00 -2.25 -0.24 0.00 -0.01 0.00 0.00 54.79 52.29 1x62 n ASP 34 Cb 0.00 -0.14 -0.09 0.00 -1.03 0.00 0.00 41.12 39.85 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1x62 s ARG 35 N -1.44 1.83 -0.00 0.11 1.81 -1.15 -5.17 118.95 114.94 1x62 s ARG 35 Ca 0.12 -2.08 -0.01 0.00 -1.72 0.00 0.00 55.73 52.04 1x62 s ARG 35 Cb 0.09 -0.75 -0.00 0.00 -0.45 0.00 0.00 34.95 33.83 1x62 s ARG 35 CO 0.04 -0.36 0.02 -1.01 -0.68 0.00 0.00 175.30 173.31 1x62 s HIS 36 N -3.24 0.06 0.20 -0.53 3.76 -1.26 -0.06 115.29 114.22 1x62 s HIS 36 Ca 0.28 -0.13 -0.11 0.00 -0.15 0.00 0.00 55.06 54.95 1x62 s HIS 36 Cb 0.05 -0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.68 1x62 s HIS 36 CO 0.14 -0.09 0.37 1.03 -0.85 0.00 0.00 174.74 175.35 1x62 s ARG 37 N -0.54 1.31 0.67 1.40 0.52 -0.90 -2.58 118.95 118.83 1x62 s ARG 37 Ca -0.06 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 53.87 1x62 s ARG 37 Cb -0.04 0.42 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 1x62 s ARG 37 CO -0.00 -0.51 1.06 -1.01 0.02 0.00 0.00 175.30 174.86 1x62 s HIS 38 N -3.98 3.40 -1.02 -0.53 3.76 -1.26 -0.60 115.29 115.06 1x62 s HIS 38 Ca 0.19 1.20 0.14 0.00 -0.15 0.00 0.00 55.06 56.44 1x62 s HIS 38 Cb 0.02 -2.90 0.62 0.00 1.11 0.00 0.00 32.58 31.42 1x62 s HIS 38 CO 0.03 -1.02 1.46 -0.35 -0.85 0.00 0.00 174.74 174.01 1x62 n PRO 39 N -2.94 0.01 -0.02 8.40 -0.04 -1.26 -2.58 135.00 136.56 1x62 n PRO 39 Ca 0.07 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.76 1x62 n PRO 39 Cb 0.55 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.49 2.63 0.00 0.54 0.28 -1.26 -4.54 120.64 116.80 1x62 n GLU 40 Ca 0.04 -0.01 0.15 0.00 -0.16 0.00 0.00 57.16 57.18 1x62 n GLU 40 Cb 0.17 -1.12 0.86 0.00 1.43 0.00 0.00 31.44 32.78 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 -1.11 0.00 -1.42 0.00 9.36 -1.07 -4.79 117.16 118.13 1x62 n TYR 42 Ca 0.20 0.00 -0.31 0.00 3.32 0.00 0.00 57.90 61.11 1x62 n TYR 42 Cb 0.16 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 38.95 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 3.57 0.99 2.97 -7.23 -1.23 -3.98 120.40 113.49 1x62 s VAL 43 Ca 0.09 0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 60.64 1x62 s VAL 43 Cb 0.04 -3.14 0.08 0.00 0.56 0.00 0.00 36.38 33.92 1x62 s VAL 43 CO 0.07 -0.67 0.47 0.00 -0.31 0.00 0.00 175.10 174.66 1x62 n THR 45 N -3.93 1.51 0.28 0.00 -1.04 -1.13 -3.27 114.28 106.70 1x62 n THR 45 Ca 0.06 -0.71 -0.12 0.00 -2.04 0.00 0.00 64.05 61.24 1x62 n THR 45 Cb 0.55 -1.08 -0.06 0.00 -1.82 0.00 0.00 70.33 67.93 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 0.01 -0.64 0.00 8.00 1.82 -1.93 -3.41 116.42 120.27 1x62 h ASP 46 Ca -0.51 0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.04 1x62 h ASP 46 Cb 2.06 0.17 -0.02 0.00 0.68 0.00 0.00 39.33 42.21 1x62 h ASP 46 CO -0.00 -0.32 -1.15 0.00 -1.61 0.00 0.00 179.24 176.15 1x62 n GLY 48 N 1.47 0.75 3.73 0.00 0.00 -1.20 -4.99 105.19 104.95 1x62 n GLY 48 Ca -0.21 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.50 4.40 -0.36 2.61 -1.32 -1.26 -4.68 115.64 114.52 1x62 s THR 49 Ca 0.00 -0.54 -0.31 0.00 -1.21 0.00 0.00 61.69 59.63 1x62 s THR 49 Cb 0.00 -2.99 -0.09 0.00 -1.51 0.00 0.00 72.50 67.91 1x62 s THR 49 CO 0.00 0.35 2.27 -3.20 -2.21 0.00 0.00 174.62 171.83 1x62 n ASN 50 N 1.26 2.47 -0.96 8.08 2.85 -1.26 -1.70 115.26 125.99 1x62 n ASN 50 Ca -0.14 0.15 0.05 0.00 -0.11 0.00 0.00 54.58 54.54 1x62 n ASN 50 Cb 0.53 -1.41 0.19 0.00 1.24 0.00 0.00 39.78 40.33 1x62 n ASN 50 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x62 n LEU 51 N 11.69 2.74 -0.16 1.20 4.77 -1.26 -4.39 117.00 131.59 1x62 n LEU 51 Ca 0.38 -1.38 -0.03 0.00 -0.03 0.00 0.00 56.01 54.95 1x62 n LEU 51 Cb 0.35 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1x62 n LEU 51 CO 0.72 0.49 0.78 0.50 -1.33 0.00 0.00 177.39 178.56 1x62 h LYS 52 N 2.23 0.02 0.00 3.23 3.64 -1.87 -2.50 116.57 121.33 1x62 h LYS 52 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x62 h LYS 52 Cb 0.86 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1x62 h LYS 52 CO 0.12 0.01 -0.81 1.04 -2.27 0.00 0.00 179.45 177.54 1x62 n GLN 53 N -5.34 0.47 -0.13 1.90 6.02 -1.26 -4.65 117.38 114.39 1x62 n GLN 53 Ca 0.05 0.27 -0.03 0.00 -0.01 0.00 0.00 57.00 57.27 1x62 n GLN 53 Cb 0.27 -1.42 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 1x62 n GLN 53 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1x62 n LYS 54 N -4.33 -0.14 0.00 -1.09 5.02 -1.25 -4.93 118.16 111.43 1x62 n LYS 54 Ca -0.11 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1x62 n LYS 54 Cb 0.42 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1x62 n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x62 n GLY 55 N -1.08 3.10 3.21 0.72 0.00 -0.94 -4.90 105.19 105.31 1x62 n GLY 55 Ca 0.01 -1.88 -0.17 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.09 1.29 0.31 1.61 -3.43 -1.26 -4.13 115.29 107.59 1x62 s HIS 56 Ca 0.00 -0.56 0.07 0.00 -0.80 0.00 0.00 55.06 53.76 1x62 s HIS 56 Cb 0.00 -0.69 -0.06 0.00 -1.43 0.00 0.00 32.58 30.40 1x62 s HIS 56 CO 0.00 0.09 -0.04 -0.06 -2.00 0.00 0.00 174.74 172.73 1x62 s PHE 57 N -2.06 2.09 -0.33 0.38 0.40 -0.31 -4.92 117.98 113.23 1x62 s PHE 57 Ca 0.06 -0.70 -0.06 0.00 -0.60 0.00 0.00 56.93 55.63 1x62 s PHE 57 Cb -0.05 -1.25 0.03 0.00 0.51 0.00 0.00 43.02 42.26 1x62 s PHE 57 CO 0.02 0.31 0.10 -0.06 0.70 0.00 0.00 175.22 176.29 1x62 s PHE 58 N -2.96 3.23 -0.09 0.36 0.08 -1.26 -3.11 117.98 114.23 1x62 s PHE 58 Ca 0.32 -1.36 -0.03 0.00 0.12 0.00 0.00 56.93 55.97 1x62 s PHE 58 Cb 0.05 -2.27 0.04 0.00 -0.57 0.00 0.00 43.02 40.27 1x62 s PHE 58 CO 0.14 -0.71 0.07 0.08 -0.10 0.00 0.00 175.22 174.71 1x62 s VAL 59 N 1.42 -0.10 -1.37 -0.44 1.01 -0.92 -4.86 120.40 115.13 1x62 s VAL 59 Ca -0.01 0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1x62 s VAL 59 Cb -0.19 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1x62 s VAL 59 CO 0.03 -0.01 1.10 -0.62 0.00 0.00 0.00 175.10 175.59 1x62 n GLU 60 N 5.29 -7.14 -2.65 2.72 1.02 -1.26 -1.42 120.64 117.20 1x62 n GLU 60 Ca -0.05 0.77 -0.20 0.00 -0.02 0.00 0.00 57.16 57.66 1x62 n GLU 60 Cb 0.50 -5.77 0.01 0.00 -0.02 0.00 0.00 31.44 26.16 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 -3.00 -5.71 -3.97 1.62 -0.08 -1.26 -4.98 116.55 99.17 1x62 n ASP 61 Ca -0.04 -0.14 -0.23 0.00 -1.51 0.00 0.00 54.79 52.88 1x62 n ASP 61 Cb 0.57 -4.65 -0.08 0.00 2.34 0.00 0.00 41.12 39.30 1x62 n ASP 61 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1x62 s GLN 62 N -5.28 1.81 -0.02 -0.67 -1.52 -0.51 -5.16 119.66 108.32 1x62 s GLN 62 Ca 0.13 -2.08 0.06 0.00 -1.95 0.00 0.00 55.36 51.53 1x62 s GLN 62 Cb -0.06 -0.34 -0.02 0.00 -0.22 0.00 0.00 33.01 32.37 1x62 s GLN 62 CO 0.17 -0.49 -0.21 0.96 -0.25 0.00 0.00 175.29 175.47 1x62 s ILE 63 N -3.35 1.65 0.24 1.08 -4.36 -1.26 -2.16 121.20 113.04 1x62 s ILE 63 Ca 0.30 -0.89 -0.10 0.00 -0.26 0.00 0.00 60.65 59.70 1x62 s ILE 63 Cb 0.03 -1.37 -0.01 0.00 1.25 0.00 0.00 42.46 42.36 1x62 s ILE 63 CO 0.17 0.47 0.41 -0.31 0.24 0.00 0.00 174.94 175.92 1x62 s TYR 64 N -0.45 0.54 0.30 1.37 2.02 -1.18 -2.86 117.35 117.10 1x62 s TYR 64 Ca 0.07 -0.87 -0.20 0.00 -0.37 0.00 0.00 57.07 55.70 1x62 s TYR 64 Cb -0.08 0.03 -0.09 0.00 -0.40 0.00 0.00 41.96 41.41 1x62 s TYR 64 CO -0.00 -0.92 0.81 0.00 -1.57 0.00 0.00 175.55 173.86 1x62 n GLU 66 N 0.17 -0.08 0.09 0.00 2.13 -1.26 0.04 120.64 121.74 1x62 n GLU 66 Ca 0.02 1.41 -0.15 0.00 0.66 0.00 0.00 57.16 59.10 1x62 n GLU 66 Cb 0.52 -2.15 -0.09 0.00 0.27 0.00 0.00 31.44 29.99 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 -0.64 0.63 5.31 3.64 -1.95 -1.21 116.57 122.34 1x62 h LYS 67 Ca 0.48 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 1x62 h LYS 67 Cb 0.85 0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1x62 h LYS 67 CO -0.91 -0.43 -0.30 0.45 -2.27 0.00 0.00 179.45 175.99 1x62 h HIS 68 N -0.67 -0.78 -0.67 1.91 3.86 -1.12 -3.01 115.15 114.68 1x62 h HIS 68 Ca -0.00 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.40 1x62 h HIS 68 Cb 0.68 0.26 -0.12 0.00 1.06 0.00 0.00 27.41 29.29 1x62 h HIS 68 CO -0.46 -0.48 0.10 0.00 0.86 0.00 0.00 177.93 177.94 1x62 n ALA 69 N -2.52 0.42 -0.10 2.45 0.00 0.11 0.24 120.51 121.11 1x62 n ALA 69 Ca -0.10 0.71 -0.09 0.00 0.00 0.00 0.00 53.44 53.95 1x62 n ALA 69 Cb 0.33 -0.56 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 0.44 0.00 0.00 3.08 -1.13 -0.45 114.38 116.32 1x62 h ARG 70 Ca 0.44 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.33 1x62 h ARG 70 Cb 0.99 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1x62 h ARG 70 CO -0.60 0.37 -0.53 1.05 -1.07 0.00 0.00 179.97 179.20 1x62 h GLU 71 N 0.38 0.00 -0.12 0.04 4.11 0.32 -1.24 114.58 118.07 1x62 h GLU 71 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 1x62 h GLU 71 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1x62 h GLU 71 CO -0.02 0.53 -0.09 0.00 0.07 0.00 0.00 179.01 179.50 1x62 h ARG 72 N 0.00 0.28 -0.25 1.06 3.08 0.21 -3.27 114.38 115.50 1x62 h ARG 72 Ca -0.01 -0.14 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 1x62 h ARG 72 Cb 0.98 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1x62 h ARG 72 CO 0.07 0.66 -0.45 -0.24 -1.07 0.00 0.00 179.97 178.94 1x62 h VAL 73 N -0.09 1.30 -4.07 2.04 3.04 -1.08 -3.44 116.25 113.95 1x62 h VAL 73 Ca 0.02 -1.65 -0.47 0.00 -1.01 0.00 0.00 66.70 63.59 1x62 h VAL 73 Cb 0.59 1.73 0.02 0.00 -2.01 0.00 0.00 31.29 31.62 1x62 h VAL 73 CO 0.02 0.53 0.38 -0.55 -1.01 0.00 0.00 177.57 176.94 1x62 s SER 74 N -6.76 6.43 -0.02 3.17 0.15 -0.47 -5.04 113.70 111.16 1x62 s SER 74 Ca -0.12 1.91 -0.30 0.00 0.70 0.00 0.00 55.95 58.14 1x62 s SER 74 Cb 0.09 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.96 1x62 s SER 74 CO 0.86 -0.72 1.29 -0.83 1.20 0.00 0.00 173.24 175.04 1x62 s GLY 75 N -1.98 -0.38 0.00 9.45 0.00 -1.26 -4.80 107.32 108.34 1x62 s GLY 75 Ca 0.66 0.63 0.11 0.00 0.00 0.00 0.00 44.72 46.12 1x62 s GLY 75 CO 0.19 0.68 1.11 -1.55 0.00 0.00 0.00 173.10 173.53 1x62 n PRO 76 N -0.53 0.49 -2.15 2.90 -0.04 -1.26 -4.78 135.00 129.63 1x62 n PRO 76 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 1x62 n PRO 76 Cb 0.62 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 1x62 n PRO 76 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x62 s SER 77 N -1.86 6.28 0.93 3.54 1.04 -1.26 -5.06 113.70 117.31 1x62 s SER 77 Ca 0.17 1.30 -0.12 0.00 0.48 0.00 0.00 55.95 57.78 1x62 s SER 77 Cb 0.08 -2.41 0.15 0.00 0.10 0.00 0.00 66.02 63.93 1x62 s SER 77 CO 0.13 -0.75 1.09 -0.44 0.98 0.00 0.00 173.24 174.25 1x62 s SER 78 N -4.02 3.22 0.00 7.02 0.01 -1.26 -5.15 113.70 113.51 1x62 s SER 78 Ca 0.53 1.37 0.00 0.00 1.31 0.00 0.00 55.95 59.16 1x62 s SER 78 Cb -0.11 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1x62 s SER 78 CO 0.49 -2.78 0.00 0.61 0.41 0.00 0.00 173.24 171.97