#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x62 h SER 2 N 0.00 -1.70 0.00 1.61 4.64 -2.06 -3.03 113.55 113.01 1x62 h SER 2 Ca 0.00 0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.55 1x62 h SER 2 Cb 0.00 0.78 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1x62 h SER 2 CO 0.00 -0.31 -0.33 -1.28 -0.87 0.00 0.00 176.83 174.04 1x62 h SER 3 N -0.14 0.00 0.00 4.97 0.87 -2.10 -3.49 113.55 113.66 1x62 h SER 3 Ca 0.19 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1x62 h SER 3 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1x62 h SER 3 CO -0.80 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 177.08 1x62 n GLY 4 N 1.61 0.86 3.19 5.77 0.00 -1.15 -5.13 105.19 110.34 1x62 n GLY 4 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.01 3.13 -0.15 1.61 0.01 -1.26 -5.10 113.70 110.93 1x62 s SER 5 Ca 0.00 -0.59 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 1x62 s SER 5 Cb 0.00 -1.44 0.07 0.00 0.21 0.00 0.00 66.02 64.86 1x62 s SER 5 CO 0.00 0.10 0.32 -0.44 0.41 0.00 0.00 173.24 173.63 1x62 s SER 6 N 0.71 0.03 0.00 2.44 0.01 -1.26 -5.01 113.70 110.62 1x62 s SER 6 Ca -0.10 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1x62 s SER 6 Cb -0.16 0.89 0.00 0.00 0.21 0.00 0.00 66.02 66.96 1x62 s SER 6 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1x62 n GLY 7 N 5.17 -1.88 3.87 3.44 0.00 -1.26 -4.97 105.19 109.57 1x62 n GLY 7 Ca -0.10 0.86 -0.28 0.00 0.00 0.00 0.00 46.02 46.49 1x62 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x62 n SER 8 N 0.00 -4.06 -4.12 1.61 7.64 -1.26 -4.97 113.62 108.46 1x62 n SER 8 Ca 0.00 -0.79 -0.10 0.00 1.01 0.00 0.00 58.87 58.99 1x62 n SER 8 Cb 0.00 -3.91 -0.10 0.00 -1.01 0.00 0.00 64.21 59.19 1x62 n SER 8 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1x62 s ILE 9 N -3.38 0.48 0.00 0.44 -4.36 -1.26 -5.12 121.20 108.00 1x62 s ILE 9 Ca 0.53 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1x62 s ILE 9 Cb -0.26 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.06 1x62 s ILE 9 CO 0.83 -0.82 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1x62 n GLY 10 N 0.32 0.04 3.04 6.27 0.00 -1.26 -4.98 105.19 108.62 1x62 n GLY 10 Ca -0.15 -1.76 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.95 1.96 0.25 1.61 4.22 -1.26 -5.11 114.94 114.65 1x62 s ASN 11 Ca 0.00 -0.33 -0.31 0.00 -2.14 0.00 0.00 52.86 50.08 1x62 s ASN 11 Cb 0.00 -0.90 -0.13 0.00 1.28 0.00 0.00 41.25 41.50 1x62 s ASN 11 CO 0.00 0.04 1.50 0.00 -2.04 0.00 0.00 177.10 176.60 1x62 n ALA 12 N 3.83 1.69 -1.82 3.54 0.00 -1.26 -4.91 120.51 121.57 1x62 n ALA 12 Ca -0.22 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.21 1x62 n ALA 12 Cb 0.52 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 1x62 n ALA 12 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1x62 s GLN 13 N -0.24 4.27 -0.19 0.00 -0.21 -1.26 -4.91 119.66 117.12 1x62 s GLN 13 Ca 0.68 2.32 0.15 0.00 0.02 0.00 0.00 55.36 58.54 1x62 s GLN 13 Cb -0.59 -3.07 0.77 0.00 1.00 0.00 0.00 33.01 31.12 1x62 s GLN 13 CO 0.47 -0.37 1.69 1.63 -2.12 0.00 0.00 175.29 176.59 1x62 n LYS 14 N 1.55 4.41 -4.12 2.91 4.01 -1.26 -4.90 118.16 120.77 1x62 n LYS 14 Ca 0.04 -3.00 -0.16 0.00 -0.51 0.00 0.00 58.31 54.67 1x62 n LYS 14 Cb 0.40 -2.12 -0.15 0.00 -0.51 0.00 0.00 35.03 32.66 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x62 s LEU 15 N -2.36 1.83 -0.83 -0.35 1.43 -1.26 -5.09 118.68 112.05 1x62 s LEU 15 Ca 0.53 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.29 1x62 s LEU 15 Cb 0.38 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 1x62 s LEU 15 CO 0.19 0.03 1.93 -2.16 0.23 0.00 0.00 176.35 176.56 1x62 s PRO 16 N 0.14 2.57 0.29 1.29 0.04 -1.26 -4.51 135.00 133.56 1x62 s PRO 16 Ca -0.01 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 60.67 1x62 s PRO 16 Cb -0.05 -4.89 -0.13 0.00 0.04 0.00 0.00 34.50 29.47 1x62 s PRO 16 CO -0.00 -3.22 1.39 0.00 0.04 0.00 0.00 177.00 175.21 1x62 n MET 17 N 8.94 2.18 -1.79 4.56 0.00 -1.26 -3.01 117.12 126.74 1x62 n MET 17 Ca 0.35 0.77 -0.39 0.00 0.00 0.00 0.00 57.70 58.43 1x62 n MET 17 Cb 0.48 -2.42 0.03 0.00 0.00 0.00 0.00 33.22 31.32 1x62 n MET 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x62 h ASP 19 N 1.78 0.74 0.14 0.00 3.58 -1.85 -1.95 116.42 118.86 1x62 h ASP 19 Ca -0.51 -0.93 0.00 0.00 0.42 0.00 0.00 57.03 56.02 1x62 h ASP 19 Cb 1.29 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 1x62 h ASP 19 CO 0.59 1.74 -0.33 0.50 -2.88 0.00 0.00 179.24 178.86 1x62 h LYS 20 N 0.11 -0.50 0.00 0.28 1.63 -1.89 -3.38 116.57 112.83 1x62 h LYS 20 Ca -0.29 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1x62 h LYS 20 Cb 2.13 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.87 1x62 h LYS 20 CO 0.23 -0.33 -0.21 0.00 -3.45 0.00 0.00 179.45 175.68 1x62 n GLY 22 N 1.71 0.65 2.92 0.00 0.00 -0.73 -5.04 105.19 104.70 1x62 n GLY 22 Ca -0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 0.10 -0.10 2.61 -4.23 -1.24 -4.84 115.64 107.94 1x62 s THR 23 Ca 0.00 -0.33 -0.37 0.00 -1.18 0.00 0.00 61.69 59.80 1x62 s THR 23 Cb 0.00 -0.15 -0.15 0.00 1.34 0.00 0.00 72.50 73.55 1x62 s THR 23 CO 0.00 -0.15 1.66 0.61 -0.54 0.00 0.00 174.62 176.20 1x62 n GLY 24 N 2.57 0.93 3.78 3.99 0.00 -1.26 -0.36 105.19 114.83 1x62 n GLY 24 Ca -0.16 0.83 -0.37 0.00 0.00 0.00 0.00 46.02 46.32 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 2.66 4.16 -0.08 -0.61 1.01 -1.16 -4.84 121.20 122.34 1x62 s ILE 25 Ca 0.92 1.85 -0.02 0.00 0.00 0.00 0.00 60.65 63.40 1x62 s ILE 25 Cb -0.92 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 37.53 1x62 s ILE 25 CO 0.55 0.20 0.05 -0.69 0.00 0.00 0.00 174.94 175.05 1x62 s VAL 26 N -1.54 0.04 0.00 2.92 1.01 -1.26 -4.48 120.40 117.09 1x62 s VAL 26 Ca 0.49 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1x62 s VAL 26 Cb -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1x62 s VAL 26 CO 0.25 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1x62 n GLY 27 N 5.25 0.87 3.76 4.51 0.00 -1.26 -4.94 105.19 113.38 1x62 n GLY 27 Ca -0.05 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 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 2.58 0.16 1.61 0.11 -1.26 -5.02 120.40 118.59 1x62 s VAL 28 Ca 0.00 0.49 -0.25 0.00 -2.93 0.00 0.00 61.98 59.29 1x62 s VAL 28 Cb 0.00 -3.27 0.06 0.00 -1.53 0.00 0.00 36.38 31.64 1x62 s VAL 28 CO 0.00 0.04 0.97 0.72 -3.33 0.00 0.00 175.10 173.50 1x62 s PHE 29 N -1.32 -0.11 -0.46 1.54 -0.12 -1.26 -4.50 117.98 111.75 1x62 s PHE 29 Ca 0.61 -0.22 -0.12 0.00 -0.05 0.00 0.00 56.93 57.16 1x62 s PHE 29 Cb -0.37 0.65 0.09 0.00 -0.63 0.00 0.00 43.02 42.76 1x62 s PHE 29 CO 0.46 -0.85 0.34 0.08 -0.05 0.00 0.00 175.22 175.21 1x62 s VAL 30 N -3.17 4.67 -0.04 -2.49 1.01 0.40 -4.83 120.40 115.96 1x62 s VAL 30 Ca 0.13 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 1x62 s VAL 30 Cb -0.02 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1x62 s VAL 30 CO 0.03 -0.61 1.23 -0.75 0.00 0.00 0.00 175.10 175.00 1x62 s LYS 31 N 1.51 4.35 0.35 2.72 2.36 -1.26 -1.76 119.74 128.00 1x62 s LYS 31 Ca 0.04 1.71 0.07 0.00 -2.55 0.00 0.00 55.97 55.25 1x62 s LYS 31 Cb -0.25 -3.55 -0.02 0.00 -1.05 0.00 0.00 37.83 32.96 1x62 s LYS 31 CO 0.03 -0.45 0.35 -0.51 1.55 0.00 0.00 175.35 176.31 1x62 s LEU 32 N 2.18 3.63 0.00 5.43 1.02 0.15 -4.98 118.68 126.12 1x62 s LEU 32 Ca 0.57 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 54.24 1x62 s LEU 32 Cb -0.26 -2.30 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1x62 s LEU 32 CO 0.23 -0.43 0.49 -1.14 0.02 0.00 0.00 176.35 175.53 1x62 n ARG 33 N -1.46 0.00 0.00 1.70 0.63 -1.26 -3.22 116.66 113.05 1x62 n ARG 33 Ca -0.00 0.49 0.01 0.00 -0.92 0.00 0.00 57.85 57.43 1x62 n ARG 33 Cb 0.60 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.72 1x62 n ARG 33 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1x62 n ASP 34 N -1.95 0.93 -4.79 6.15 5.68 -1.26 -5.04 116.55 116.27 1x62 n ASP 34 Ca 0.00 -0.97 -0.33 0.00 -0.50 0.00 0.00 54.79 53.00 1x62 n ASP 34 Cb 0.00 0.24 -0.07 0.00 -1.14 0.00 0.00 41.12 40.15 1x62 n ASP 34 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1x62 s ARG 35 N -0.44 2.21 -0.12 0.11 1.81 -1.20 -5.16 118.95 116.17 1x62 s ARG 35 Ca 0.02 -2.38 -0.10 0.00 -1.72 0.00 0.00 55.73 51.55 1x62 s ARG 35 Cb 0.02 -1.58 0.03 0.00 -0.45 0.00 0.00 34.95 32.97 1x62 s ARG 35 CO 0.04 -0.41 0.30 -1.01 -0.68 0.00 0.00 175.30 173.55 1x62 s HIS 36 N -2.88 -0.35 0.08 -0.53 3.76 -1.26 0.32 115.29 114.43 1x62 s HIS 36 Ca 0.07 0.84 0.02 0.00 -0.15 0.00 0.00 55.06 55.83 1x62 s HIS 36 Cb 0.01 0.12 -0.04 0.00 1.11 0.00 0.00 32.58 33.78 1x62 s HIS 36 CO 0.04 -0.18 -0.07 1.03 -0.85 0.00 0.00 174.74 174.71 1x62 s ARG 37 N 0.37 0.73 0.96 1.40 0.52 -0.72 -2.62 118.95 119.59 1x62 s ARG 37 Ca -0.02 -1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 53.92 1x62 s ARG 37 Cb -0.03 -0.21 0.17 0.00 0.52 0.00 0.00 34.95 35.39 1x62 s ARG 37 CO -0.01 -0.00 1.10 -1.01 0.02 0.00 0.00 175.30 175.39 1x62 s HIS 38 N -2.98 1.76 0.13 -0.53 3.76 -1.26 -0.45 115.29 115.72 1x62 s HIS 38 Ca 0.05 1.54 0.34 0.00 -0.15 0.00 0.00 55.06 56.84 1x62 s HIS 38 Cb 0.01 -3.22 1.40 0.00 1.11 0.00 0.00 32.58 31.88 1x62 s HIS 38 CO -0.03 -2.90 2.00 -1.00 -0.85 0.00 0.00 174.74 171.95 1x62 h PRO 39 N -1.93 0.00 0.00 8.40 0.13 -1.88 -2.38 132.00 134.34 1x62 h PRO 39 Ca -0.49 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 1x62 h PRO 39 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 1x62 h PRO 39 CO 0.47 0.01 -2.27 -0.85 -0.23 0.00 0.00 178.00 175.13 1x62 n GLU 40 N -3.11 0.97 -0.00 0.86 0.28 -1.26 -4.26 120.64 114.11 1x62 n GLU 40 Ca 0.00 -0.01 0.15 0.00 -0.16 0.00 0.00 57.16 57.14 1x62 n GLU 40 Cb 0.30 -1.48 0.79 0.00 1.43 0.00 0.00 31.44 32.48 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 -0.64 0.00 -2.68 0.00 9.36 -0.90 -4.80 117.16 117.49 1x62 n TYR 42 Ca 0.22 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 61.14 1x62 n TYR 42 Cb 0.18 -0.03 -0.02 0.00 -0.63 0.00 0.00 39.34 38.84 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 -1.67 4.81 0.73 2.97 -7.23 -1.24 -3.46 120.40 115.31 1x62 s VAL 43 Ca 0.00 0.52 -0.16 0.00 -1.81 0.00 0.00 61.98 60.53 1x62 s VAL 43 Cb 0.00 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 1x62 s VAL 43 CO 0.00 -0.69 0.62 0.00 -0.31 0.00 0.00 175.10 174.72 1x62 h THR 45 N -0.38 0.85 0.39 0.00 2.02 -1.89 -3.02 112.91 110.88 1x62 h THR 45 Ca -0.46 -2.62 -0.02 0.00 0.77 0.00 0.00 66.41 64.08 1x62 h THR 45 Cb 1.34 2.52 0.00 0.00 -1.74 0.00 0.00 68.15 70.28 1x62 h THR 45 CO 0.43 0.69 -0.19 -0.78 0.37 0.00 0.00 175.52 176.05 1x62 h ASP 46 N 0.04 -0.44 0.00 4.18 1.82 -1.92 -3.42 116.42 116.68 1x62 h ASP 46 Ca -0.31 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1x62 h ASP 46 Cb 2.01 0.11 0.00 0.00 0.68 0.00 0.00 39.33 42.14 1x62 h ASP 46 CO 0.10 -0.17 -0.37 0.00 -1.61 0.00 0.00 179.24 177.18 1x62 n GLY 48 N 1.62 0.90 3.91 0.00 0.00 -1.14 -4.97 105.19 105.51 1x62 n GLY 48 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.21 5.31 -0.36 2.61 -1.32 -1.26 -4.62 115.64 114.78 1x62 s THR 49 Ca 0.00 -0.17 -0.28 0.00 -1.21 0.00 0.00 61.69 60.03 1x62 s THR 49 Cb 0.00 -3.61 -0.03 0.00 -1.51 0.00 0.00 72.50 67.35 1x62 s THR 49 CO 0.00 0.14 1.89 0.20 -2.21 0.00 0.00 174.62 174.65 1x62 s ASN 50 N -2.35 5.68 -0.01 8.08 -0.87 -1.26 -1.17 114.94 123.04 1x62 s ASN 50 Ca 0.36 1.24 0.04 0.00 -1.57 0.00 0.00 52.86 52.93 1x62 s ASN 50 Cb -0.13 -2.52 0.13 0.00 -0.02 0.00 0.00 41.25 38.71 1x62 s ASN 50 CO 0.25 -1.89 1.05 0.18 -2.57 0.00 0.00 177.10 174.12 1x62 n LEU 51 N 11.08 0.95 -0.29 0.60 4.77 -1.22 -4.35 117.00 128.54 1x62 n LEU 51 Ca 0.24 -0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 55.68 1x62 n LEU 51 Cb 0.48 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1x62 n LEU 51 CO 0.69 0.21 0.56 0.50 -1.33 0.00 0.00 177.39 178.02 1x62 h LYS 52 N 0.83 -0.12 0.00 3.23 3.64 -1.88 -0.07 116.57 122.21 1x62 h LYS 52 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1x62 h LYS 52 Cb 0.28 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1x62 h LYS 52 CO 0.01 -0.08 -0.62 1.04 -2.27 0.00 0.00 179.45 177.54 1x62 n GLN 53 N -5.40 0.41 -0.28 1.90 6.02 -1.26 -4.46 117.38 114.31 1x62 n GLN 53 Ca 0.04 0.35 0.11 0.00 -0.01 0.00 0.00 57.00 57.48 1x62 n GLN 53 Cb 0.35 -1.43 0.21 0.00 1.02 0.00 0.00 30.24 30.39 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 -4.21 -0.07 0.00 -1.09 5.02 -1.24 -4.89 118.16 111.68 1x62 n LYS 54 Ca -0.09 1.22 0.00 0.00 -2.02 0.00 0.00 58.31 57.42 1x62 n LYS 54 Cb 0.32 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.43 2.77 3.44 0.72 0.00 -0.04 -4.89 105.19 105.75 1x62 n GLY 55 Ca 0.18 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.99 2.57 -0.04 1.61 -3.43 -1.26 -4.51 115.29 107.24 1x62 s HIS 56 Ca 0.00 -0.25 0.02 0.00 -0.80 0.00 0.00 55.06 54.03 1x62 s HIS 56 Cb 0.00 -1.53 -0.03 0.00 -1.43 0.00 0.00 32.58 29.59 1x62 s HIS 56 CO 0.00 0.18 -0.08 -0.06 -2.00 0.00 0.00 174.74 172.77 1x62 s PHE 57 N -0.80 2.88 -0.41 0.38 0.40 -0.78 -4.91 117.98 114.75 1x62 s PHE 57 Ca 0.13 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.21 1x62 s PHE 57 Cb -0.10 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.78 1x62 s PHE 57 CO 0.02 0.32 0.69 -0.06 0.70 0.00 0.00 175.22 176.89 1x62 s PHE 58 N -0.85 3.08 -0.19 0.36 0.08 -1.26 -2.74 117.98 116.45 1x62 s PHE 58 Ca 0.14 0.19 -0.05 0.00 0.12 0.00 0.00 56.93 57.33 1x62 s PHE 58 Cb -0.11 -3.37 0.07 0.00 -0.57 0.00 0.00 43.02 39.05 1x62 s PHE 58 CO 0.03 -0.81 0.14 0.08 -0.10 0.00 0.00 175.22 174.56 1x62 s VAL 59 N 2.93 -0.17 -1.17 -0.44 1.01 -0.88 -4.87 120.40 116.81 1x62 s VAL 59 Ca 0.26 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 1x62 s VAL 59 Cb -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1x62 s VAL 59 CO 0.18 -0.28 1.02 -0.62 0.00 0.00 0.00 175.10 175.41 1x62 n GLU 60 N 5.29 -6.86 -2.55 2.72 -0.58 -1.26 -2.04 120.64 115.36 1x62 n GLU 60 Ca -0.06 0.73 -0.18 0.00 -0.42 0.00 0.00 57.16 57.23 1x62 n GLU 60 Cb 0.49 -5.46 0.01 0.00 -0.57 0.00 0.00 31.44 25.90 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 -2.50 -5.22 -3.93 1.62 -0.08 -1.26 -4.99 116.55 100.20 1x62 n ASP 61 Ca -0.02 -0.10 -0.22 0.00 -1.51 0.00 0.00 54.79 52.94 1x62 n ASP 61 Cb 0.56 -4.21 -0.09 0.00 2.34 0.00 0.00 41.12 39.73 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 -5.11 1.77 -0.04 -0.67 -0.21 -0.87 -5.12 119.66 109.41 1x62 s GLN 62 Ca 0.10 -2.04 0.04 0.00 0.02 0.00 0.00 55.36 53.47 1x62 s GLN 62 Cb -0.04 -0.25 -0.00 0.00 1.00 0.00 0.00 33.01 33.72 1x62 s GLN 62 CO 0.12 -0.50 -0.15 0.96 -2.12 0.00 0.00 175.29 173.60 1x62 s ILE 63 N -3.40 1.26 0.28 1.08 -4.36 -1.25 -2.07 121.20 112.73 1x62 s ILE 63 Ca 0.32 -0.62 -0.01 0.00 -0.26 0.00 0.00 60.65 60.07 1x62 s ILE 63 Cb 0.03 -1.10 -0.02 0.00 1.25 0.00 0.00 42.46 42.63 1x62 s ILE 63 CO 0.18 0.37 0.32 -0.31 0.24 0.00 0.00 174.94 175.75 1x62 s TYR 64 N 0.12 1.14 -0.02 1.37 1.51 -1.11 -2.74 117.35 117.62 1x62 s TYR 64 Ca -0.05 -1.31 -0.16 0.00 -1.01 0.00 0.00 57.07 54.54 1x62 s TYR 64 Cb -0.11 -0.33 -0.05 0.00 -0.11 0.00 0.00 41.96 41.35 1x62 s TYR 64 CO 0.02 -0.90 0.45 0.00 -1.11 0.00 0.00 175.55 174.01 1x62 n GLU 66 N 2.30 -0.04 -0.02 0.00 2.13 -1.26 0.22 120.64 123.97 1x62 n GLU 66 Ca -0.11 0.92 -0.10 0.00 0.66 0.00 0.00 57.16 58.53 1x62 n GLU 66 Cb 0.52 -1.63 -0.04 0.00 0.27 0.00 0.00 31.44 30.56 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 0.04 0.00 5.31 3.64 -1.98 -1.34 116.57 122.24 1x62 h LYS 67 Ca 0.54 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.86 1x62 h LYS 67 Cb 1.42 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1x62 h LYS 67 CO -0.52 0.02 -0.42 0.45 -2.27 0.00 0.00 179.45 176.72 1x62 h HIS 68 N 0.04 0.00 -0.85 1.91 3.86 0.24 -3.32 115.15 117.02 1x62 h HIS 68 Ca 0.07 0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.43 1x62 h HIS 68 Cb 0.09 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.41 1x62 h HIS 68 CO -0.16 0.85 -0.32 0.00 0.86 0.00 0.00 177.93 179.16 1x62 h ALA 69 N -0.43 0.25 -0.97 2.45 0.00 0.04 0.61 119.26 121.20 1x62 h ALA 69 Ca -0.10 0.27 0.15 0.00 0.00 0.00 0.00 54.91 55.23 1x62 h ALA 69 Cb 0.85 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1x62 h ALA 69 CO -0.06 -0.56 0.59 0.07 0.00 0.00 0.00 179.25 179.29 1x62 h ARG 70 N -0.04 0.81 -0.69 0.00 0.11 -1.41 0.24 114.38 113.40 1x62 h ARG 70 Ca 0.34 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 60.31 1x62 h ARG 70 Cb 0.60 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.47 1x62 h ARG 70 CO -0.88 0.53 0.19 0.93 0.10 0.00 0.00 179.97 180.84 1x62 h GLU 71 N 0.83 1.08 0.44 0.08 5.08 0.08 -3.07 114.58 119.10 1x62 h GLU 71 Ca 0.53 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1x62 h GLU 71 Cb 0.69 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1x62 h GLU 71 CO -0.33 0.93 -0.21 0.00 -1.00 0.00 0.00 179.01 178.40 1x62 h ARG 72 N 1.03 -0.57 -0.97 2.33 3.08 0.11 -1.41 114.38 117.98 1x62 h ARG 72 Ca 0.22 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.46 1x62 h ARG 72 Cb 0.33 0.13 -0.16 0.00 0.08 0.00 0.00 29.97 30.35 1x62 h ARG 72 CO -0.00 -0.27 -0.38 0.28 -1.07 0.00 0.00 179.97 178.53 1x62 n VAL 73 N -5.24 -0.51 0.29 2.04 0.31 -0.43 -1.30 118.33 113.49 1x62 n VAL 73 Ca -0.10 2.27 -0.15 0.00 -0.01 0.00 0.00 64.34 66.35 1x62 n VAL 73 Cb 0.30 -2.99 -0.08 0.00 -0.91 0.00 0.00 33.84 30.15 1x62 n VAL 73 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1x62 h SER 74 N 0.00 -0.63 -1.38 4.52 4.64 -1.55 -3.45 113.55 115.70 1x62 h SER 74 Ca 0.33 -0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 61.02 1x62 h SER 74 Cb 0.58 0.16 0.13 0.00 -0.31 0.00 0.00 62.40 62.96 1x62 h SER 74 CO -0.96 -0.29 -0.77 0.61 -0.87 0.00 0.00 176.83 174.55 1x62 n GLY 75 N -0.69 -2.28 3.77 -0.77 0.00 -0.42 -4.88 105.19 99.92 1x62 n GLY 75 Ca -0.11 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.93 2.89 -0.10 1.61 0.04 -1.26 -4.94 135.00 132.32 1x62 s PRO 76 Ca 0.56 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 1x62 s PRO 76 Cb -0.67 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1x62 s PRO 76 CO 0.56 -1.18 1.31 -1.12 0.04 0.00 0.00 177.00 176.61 1x62 s SER 77 N -2.45 6.93 -0.08 6.66 0.01 -1.26 -4.94 113.70 118.57 1x62 s SER 77 Ca 0.68 1.85 -0.12 0.00 1.31 0.00 0.00 55.95 59.67 1x62 s SER 77 Cb -0.21 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.39 1x62 s SER 77 CO 0.39 -0.72 0.43 -1.28 0.41 0.00 0.00 173.24 172.47 1x62 h SER 78 N 8.07 -0.16 0.00 2.44 0.87 -2.01 -3.57 113.55 119.18 1x62 h SER 78 Ca -0.32 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1x62 h SER 78 Cb 1.14 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1x62 h SER 78 CO 0.93 0.39 0.00 0.61 -0.53 0.00 0.00 176.83 178.23