#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 1.76 0.43 1.61 0.01 -1.26 -5.14 113.70 111.11 1x62 s SER 2 Ca 0.00 -0.26 -0.22 0.00 1.31 0.00 0.00 55.95 56.77 1x62 s SER 2 Cb 0.00 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 1x62 s SER 2 CO 0.00 -0.29 1.01 -0.55 0.41 0.00 0.00 173.24 173.82 1x62 s SER 3 N 2.13 6.73 0.00 2.44 0.15 -1.26 -4.94 113.70 118.95 1x62 s SER 3 Ca 0.03 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.57 1x62 s SER 3 Cb -0.14 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1x62 s SER 3 CO -0.06 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1x62 n GLY 4 N -0.10 3.39 3.91 9.45 0.00 -1.26 -5.11 105.19 115.47 1x62 n GLY 4 Ca 0.07 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1x62 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x62 s SER 5 N 0.00 6.43 1.11 1.61 1.04 -1.26 -5.09 113.70 117.54 1x62 s SER 5 Ca 0.00 0.66 -0.16 0.00 0.48 0.00 0.00 55.95 56.93 1x62 s SER 5 Cb 0.00 -2.12 0.24 0.00 0.10 0.00 0.00 66.02 64.24 1x62 s SER 5 CO 0.00 -0.18 1.11 -0.55 0.98 0.00 0.00 173.24 174.60 1x62 s SER 6 N -3.20 1.71 0.11 7.02 0.15 -1.26 -4.89 113.70 113.34 1x62 s SER 6 Ca 0.43 0.86 -0.35 0.00 0.70 0.00 0.00 55.95 57.59 1x62 s SER 6 Cb -0.11 -1.29 -0.17 0.00 -1.71 0.00 0.00 66.02 62.74 1x62 s SER 6 CO 0.30 -3.66 1.11 0.61 1.20 0.00 0.00 173.24 172.80 1x62 n GLY 7 N -1.08 -0.14 3.05 9.45 0.00 -1.26 -4.97 105.19 110.24 1x62 n GLY 7 Ca 0.09 0.61 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.01 1.95 -0.04 1.61 0.01 -1.26 -5.13 113.70 110.83 1x62 s SER 8 Ca 0.79 -0.33 0.07 0.00 1.31 0.00 0.00 55.95 57.79 1x62 s SER 8 Cb -0.99 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 64.34 1x62 s SER 8 CO 0.53 0.06 -0.24 -0.63 0.41 0.00 0.00 173.24 173.36 1x62 s ILE 9 N 0.59 1.98 0.00 1.44 1.01 -1.26 -5.01 121.20 119.94 1x62 s ILE 9 Ca -0.15 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1x62 s ILE 9 Cb -0.16 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1x62 s ILE 9 CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.15 1x62 n GLY 10 N 2.74 0.58 3.64 6.18 0.00 -1.26 -5.06 105.19 112.01 1x62 n GLY 10 Ca -0.17 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.00 5.69 -0.00 1.61 -0.87 -1.26 -5.00 114.94 111.11 1x62 s ASN 11 Ca 0.00 0.08 -0.20 0.00 -1.57 0.00 0.00 52.86 51.17 1x62 s ASN 11 Cb 0.00 -1.98 -0.23 0.00 -0.02 0.00 0.00 41.25 39.01 1x62 s ASN 11 CO 0.00 0.16 1.09 0.00 -2.57 0.00 0.00 177.10 175.78 1x62 h ALA 12 N 6.82 0.07 -3.43 0.60 0.00 -1.98 -3.46 119.26 117.89 1x62 h ALA 12 Ca -0.37 -0.56 -0.20 0.00 0.00 0.00 0.00 54.91 53.77 1x62 h ALA 12 Cb 1.17 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 1x62 h ALA 12 CO 0.70 0.32 -0.68 1.14 0.00 0.00 0.00 179.25 180.73 1x62 s GLN 13 N -3.21 0.13 -0.17 0.00 -2.07 -1.26 -5.03 119.66 108.06 1x62 s GLN 13 Ca -0.13 -0.17 0.14 0.00 -1.82 0.00 0.00 55.36 53.37 1x62 s GLN 13 Cb 0.03 0.05 0.69 0.00 -1.09 0.00 0.00 33.01 32.70 1x62 s GLN 13 CO 0.81 -0.02 1.57 1.63 -1.32 0.00 0.00 175.29 177.96 1x62 n LYS 14 N 2.56 4.04 -3.78 9.60 4.76 -1.26 -4.88 118.16 129.20 1x62 n LYS 14 Ca -0.16 -2.68 -0.13 0.00 -2.87 0.00 0.00 58.31 52.47 1x62 n LYS 14 Cb 0.58 -2.04 -0.12 0.00 -1.84 0.00 0.00 35.03 31.61 1x62 n LYS 14 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x62 s LEU 15 N -2.13 0.98 -0.78 -0.35 1.43 -1.26 -5.10 118.68 111.47 1x62 s LEU 15 Ca 0.47 0.47 -0.25 0.00 -1.03 0.00 0.00 54.13 53.79 1x62 s LEU 15 Cb 0.34 0.77 -0.04 0.00 0.03 0.00 0.00 46.19 47.29 1x62 s LEU 15 CO 0.17 -0.10 1.91 -2.16 0.23 0.00 0.00 176.35 176.41 1x62 s PRO 16 N 0.35 2.58 0.16 1.29 0.04 -1.26 -4.55 135.00 133.61 1x62 s PRO 16 Ca -0.02 0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.79 1x62 s PRO 16 Cb -0.03 -4.78 -0.11 0.00 0.04 0.00 0.00 34.50 29.61 1x62 s PRO 16 CO -0.01 -3.11 1.81 0.00 0.04 0.00 0.00 177.00 175.72 1x62 n MET 17 N 8.99 2.83 -1.60 4.56 0.00 -1.26 -2.58 117.12 128.07 1x62 n MET 17 Ca 0.32 1.03 -0.41 0.00 0.00 0.00 0.00 57.70 58.63 1x62 n MET 17 Cb 0.49 -2.91 0.01 0.00 0.00 0.00 0.00 33.22 30.81 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 1.44 0.36 0.21 0.00 1.82 -1.72 -2.40 116.42 116.14 1x62 h ASP 19 Ca -0.44 -0.49 -0.01 0.00 -0.39 0.00 0.00 57.03 55.70 1x62 h ASP 19 Cb 1.34 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.24 1x62 h ASP 19 CO 0.56 1.40 -0.10 0.50 -1.61 0.00 0.00 179.24 179.99 1x62 h LYS 20 N 0.06 -0.27 0.01 0.28 1.63 -1.89 -3.39 116.57 113.01 1x62 h LYS 20 Ca -0.22 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1x62 h LYS 20 Cb 2.00 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.69 1x62 h LYS 20 CO 0.16 -0.18 -0.01 0.00 -3.45 0.00 0.00 179.45 175.98 1x62 n GLY 22 N 1.78 0.95 3.02 0.00 0.00 -0.90 -5.05 105.19 104.99 1x62 n GLY 22 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.34 0.47 -0.20 2.61 -4.23 -1.24 -4.85 115.64 107.86 1x62 s THR 23 Ca 0.00 -0.75 -0.34 0.00 -1.18 0.00 0.00 61.69 59.41 1x62 s THR 23 Cb 0.00 -0.50 -0.11 0.00 1.34 0.00 0.00 72.50 73.23 1x62 s THR 23 CO 0.00 -0.20 2.00 0.61 -0.54 0.00 0.00 174.62 176.49 1x62 n GLY 24 N 2.02 1.08 3.74 3.99 0.00 -1.26 -0.45 105.19 114.31 1x62 n GLY 24 Ca -0.19 0.88 -0.41 0.00 0.00 0.00 0.00 46.02 46.30 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 5.47 3.45 -0.12 -0.61 1.01 -1.06 -4.87 121.20 124.47 1x62 s ILE 25 Ca 0.99 1.26 -0.01 0.00 0.00 0.00 0.00 60.65 62.90 1x62 s ILE 25 Cb -0.73 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 37.96 1x62 s ILE 25 CO 0.50 0.22 -0.05 0.54 0.00 0.00 0.00 174.94 176.15 1x62 s VAL 26 N -0.26 0.92 0.00 2.92 0.11 -1.26 -4.36 120.40 118.47 1x62 s VAL 26 Ca 0.52 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1x62 s VAL 26 Cb -0.34 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 1x62 s VAL 26 CO 0.39 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 173.03 1x62 n GLY 27 N 4.97 0.86 3.77 6.54 0.00 -1.26 -4.94 105.19 115.12 1x62 n GLY 27 Ca -0.11 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 2.93 -0.00 1.61 0.11 -1.26 -5.03 120.40 118.76 1x62 s VAL 28 Ca 0.00 0.76 -0.29 0.00 -2.93 0.00 0.00 61.98 59.52 1x62 s VAL 28 Cb 0.00 -3.42 0.10 0.00 -1.53 0.00 0.00 36.38 31.53 1x62 s VAL 28 CO 0.00 0.06 0.94 0.72 -3.33 0.00 0.00 175.10 173.49 1x62 s PHE 29 N -1.40 -0.28 -0.55 1.54 -0.12 -1.26 -4.62 117.98 111.29 1x62 s PHE 29 Ca 0.60 0.13 -0.18 0.00 -0.05 0.00 0.00 56.93 57.43 1x62 s PHE 29 Cb -0.33 0.55 0.09 0.00 -0.63 0.00 0.00 43.02 42.71 1x62 s PHE 29 CO 0.41 -0.54 0.61 0.08 -0.05 0.00 0.00 175.22 175.73 1x62 s VAL 30 N -3.05 4.95 -0.45 -2.49 1.01 0.16 -4.86 120.40 115.67 1x62 s VAL 30 Ca 0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 1x62 s VAL 30 Cb -0.01 -4.37 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1x62 s VAL 30 CO -0.07 -0.93 1.39 -0.75 0.00 0.00 0.00 175.10 174.74 1x62 s LYS 31 N 2.35 3.52 0.67 2.72 2.36 -1.26 -1.96 119.74 128.14 1x62 s LYS 31 Ca 0.10 0.81 -0.10 0.00 -2.55 0.00 0.00 55.97 54.23 1x62 s LYS 31 Cb -0.24 -4.04 0.01 0.00 -1.05 0.00 0.00 37.83 32.51 1x62 s LYS 31 CO 0.07 -1.64 1.04 -0.51 1.55 0.00 0.00 175.35 175.87 1x62 s LEU 32 N 5.51 3.02 0.00 5.43 1.43 0.25 -4.97 118.68 129.35 1x62 s LEU 32 Ca 0.59 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 1x62 s LEU 32 Cb -0.12 -3.89 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1x62 s LEU 32 CO 0.31 -1.22 0.50 0.54 0.23 0.00 0.00 176.35 176.71 1x62 n ARG 33 N -2.87 0.00 -0.04 1.70 3.00 -1.26 -2.76 116.66 114.42 1x62 n ARG 33 Ca 0.06 0.50 0.02 0.00 -0.01 0.00 0.00 57.85 58.41 1x62 n ARG 33 Cb 0.57 -0.80 0.04 0.00 0.00 0.00 0.00 32.46 32.27 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 -1.97 2.23 -4.27 0.55 2.03 -1.26 -5.04 116.55 108.82 1x62 n ASP 34 Ca 0.00 -2.06 -0.24 0.00 0.52 0.00 0.00 54.79 53.01 1x62 n ASP 34 Cb 0.00 -0.07 -0.09 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.11 1.80 -0.01 -0.67 1.81 -1.11 -5.17 118.95 114.50 1x62 s ARG 35 Ca 0.07 -2.06 0.00 0.00 -1.72 0.00 0.00 55.73 52.02 1x62 s ARG 35 Cb 0.04 -0.70 0.01 0.00 -0.45 0.00 0.00 34.95 33.84 1x62 s ARG 35 CO 0.03 -0.36 0.00 -1.01 -0.68 0.00 0.00 175.30 173.29 1x62 s HIS 36 N -3.27 0.08 0.21 -0.53 3.76 -1.26 0.86 115.29 115.13 1x62 s HIS 36 Ca 0.29 0.02 -0.05 0.00 -0.15 0.00 0.00 55.06 55.17 1x62 s HIS 36 Cb 0.05 -0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.60 1x62 s HIS 36 CO 0.14 -0.03 0.24 1.03 -0.85 0.00 0.00 174.74 175.28 1x62 s ARG 37 N 0.28 1.30 0.72 1.40 0.52 -0.83 -1.87 118.95 120.47 1x62 s ARG 37 Ca -0.02 -1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 53.58 1x62 s ARG 37 Cb -0.04 0.34 0.02 0.00 0.52 0.00 0.00 34.95 35.79 1x62 s ARG 37 CO -0.01 -0.47 1.08 -1.01 0.02 0.00 0.00 175.30 174.92 1x62 s HIS 38 N -4.11 3.20 -1.08 -0.53 3.76 -1.26 -0.67 115.29 114.61 1x62 s HIS 38 Ca 0.33 1.16 0.14 0.00 -0.15 0.00 0.00 55.06 56.54 1x62 s HIS 38 Cb 0.04 -3.01 0.63 0.00 1.11 0.00 0.00 32.58 31.35 1x62 s HIS 38 CO 0.10 -1.28 1.44 -0.35 -0.85 0.00 0.00 174.74 173.81 1x62 n PRO 39 N -3.10 0.04 -0.02 8.40 -0.04 -1.26 -2.30 135.00 136.71 1x62 n PRO 39 Ca 0.07 0.24 -0.02 0.00 -0.04 0.00 0.00 63.50 63.74 1x62 n PRO 39 Cb 0.56 -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 -1.46 3.10 0.00 0.54 0.28 -1.26 -4.55 120.64 117.29 1x62 n GLU 40 Ca 0.04 -0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.18 1x62 n GLU 40 Cb 0.16 -1.12 0.75 0.00 1.43 0.00 0.00 31.44 32.65 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 -1.29 0.00 -1.80 0.00 9.36 -0.97 -4.81 117.16 117.64 1x62 n TYR 42 Ca 0.14 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 61.06 1x62 n TYR 42 Cb 0.24 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.03 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 2.72 0.65 2.97 -7.23 -1.22 -4.04 120.40 112.25 1x62 s VAL 43 Ca 0.04 0.23 -0.18 0.00 -1.81 0.00 0.00 61.98 60.27 1x62 s VAL 43 Cb 0.02 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 1x62 s VAL 43 CO 0.03 -0.30 1.24 0.00 -0.31 0.00 0.00 175.10 175.76 1x62 h THR 45 N 0.42 1.27 0.22 0.00 2.02 -1.80 -2.89 112.91 112.16 1x62 h THR 45 Ca -0.50 -2.98 -0.01 0.00 0.77 0.00 0.00 66.41 63.69 1x62 h THR 45 Cb 1.34 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.48 1x62 h THR 45 CO 0.52 0.80 -0.11 -0.78 0.37 0.00 0.00 175.52 176.33 1x62 h ASP 46 N 0.03 -0.25 0.00 4.18 1.82 -1.92 -3.43 116.42 116.85 1x62 h ASP 46 Ca -0.18 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1x62 h ASP 46 Cb 1.94 0.06 0.00 0.00 0.68 0.00 0.00 39.33 42.01 1x62 h ASP 46 CO 0.14 -0.09 -0.35 0.00 -1.61 0.00 0.00 179.24 177.33 1x62 n GLY 48 N 1.63 0.71 3.69 0.00 0.00 -1.09 -4.95 105.19 105.18 1x62 n GLY 48 Ca -0.05 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.10 4.05 -0.15 2.61 -1.32 -1.26 -4.69 115.64 114.78 1x62 s THR 49 Ca 0.00 -0.98 -0.31 0.00 -1.21 0.00 0.00 61.69 59.18 1x62 s THR 49 Cb 0.00 -2.94 -0.08 0.00 -1.51 0.00 0.00 72.50 67.97 1x62 s THR 49 CO 0.00 0.11 2.09 -3.20 -2.21 0.00 0.00 174.62 171.41 1x62 n ASN 50 N 0.53 3.33 -1.45 8.08 2.85 -1.26 -2.32 115.26 125.01 1x62 n ASN 50 Ca -0.11 0.57 0.10 0.00 -0.11 0.00 0.00 54.58 55.03 1x62 n ASN 50 Cb 0.52 -1.46 0.33 0.00 1.24 0.00 0.00 39.78 40.41 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 9.33 4.28 0.15 1.20 4.77 -1.26 -4.39 117.00 131.09 1x62 n LEU 51 Ca 0.28 -2.15 -0.16 0.00 -0.03 0.00 0.00 56.01 53.94 1x62 n LEU 51 Cb 0.37 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 1x62 n LEU 51 CO 0.70 0.83 0.54 0.50 -1.33 0.00 0.00 177.39 178.62 1x62 h LYS 52 N 3.97 -0.76 0.02 3.23 3.11 -1.88 -2.32 116.57 121.95 1x62 h LYS 52 Ca 0.00 0.05 -0.33 0.00 -2.81 0.00 0.00 60.65 57.56 1x62 h LYS 52 Cb 1.24 0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 32.60 1x62 h LYS 52 CO 0.15 -0.50 -1.82 1.04 -2.81 0.00 0.00 179.45 175.50 1x62 n GLN 53 N -5.50 0.61 -0.16 1.90 6.02 -1.26 -4.52 117.38 114.48 1x62 n GLN 53 Ca -0.09 0.41 -0.09 0.00 -0.01 0.00 0.00 57.00 57.21 1x62 n GLN 53 Cb 0.42 -1.66 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 1x62 n GLN 53 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1x62 h LYS 54 N -0.73 -0.20 0.00 -1.09 1.57 -1.77 -3.48 116.57 110.87 1x62 h LYS 54 Ca -0.47 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1x62 h LYS 54 Cb 1.56 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.92 1x62 h LYS 54 CO -0.21 -0.13 0.00 0.41 -0.57 0.00 0.00 179.45 178.95 1x62 n GLY 55 N -1.25 3.86 3.37 3.86 0.00 -0.87 -4.91 105.19 109.25 1x62 n GLY 55 Ca -0.01 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.23 2.08 0.34 1.61 -3.43 -1.26 -4.14 115.29 108.26 1x62 s HIS 56 Ca 0.00 -0.40 0.04 0.00 -0.80 0.00 0.00 55.06 53.90 1x62 s HIS 56 Cb 0.00 -1.05 -0.06 0.00 -1.43 0.00 0.00 32.58 30.04 1x62 s HIS 56 CO 0.00 0.40 0.05 -0.06 -2.00 0.00 0.00 174.74 173.13 1x62 s PHE 57 N -1.69 2.03 -0.25 0.38 0.40 -0.84 -4.94 117.98 113.07 1x62 s PHE 57 Ca 0.17 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.53 1x62 s PHE 57 Cb -0.08 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1x62 s PHE 57 CO 0.08 0.06 -0.02 -0.06 0.70 0.00 0.00 175.22 175.98 1x62 s PHE 58 N -3.21 3.06 -0.15 0.36 0.08 -1.26 -3.31 117.98 113.55 1x62 s PHE 58 Ca 0.35 -1.22 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 1x62 s PHE 58 Cb 0.09 -2.13 0.07 0.00 -0.57 0.00 0.00 43.02 40.48 1x62 s PHE 58 CO 0.16 -0.64 0.19 0.08 -0.10 0.00 0.00 175.22 174.91 1x62 s VAL 59 N 1.42 -0.29 -1.41 -0.44 1.01 -0.84 -4.88 120.40 114.97 1x62 s VAL 59 Ca 0.02 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 1x62 s VAL 59 Cb -0.16 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1x62 s VAL 59 CO -0.02 -0.06 1.13 -0.62 0.00 0.00 0.00 175.10 175.53 1x62 n GLU 60 N 5.32 -7.27 -2.54 2.72 1.02 -1.26 -1.35 120.64 117.28 1x62 n GLU 60 Ca -0.05 0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 57.68 1x62 n GLU 60 Cb 0.50 -5.77 0.01 0.00 -0.02 0.00 0.00 31.44 26.15 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 -2.97 -5.05 -3.97 1.62 -0.08 -1.26 -4.99 116.55 99.84 1x62 n ASP 61 Ca 0.01 -0.10 -0.22 0.00 -1.51 0.00 0.00 54.79 52.97 1x62 n ASP 61 Cb 0.55 -4.05 -0.09 0.00 2.34 0.00 0.00 41.12 39.88 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 -5.08 1.78 -0.05 -0.67 -0.21 -0.46 -5.16 119.66 109.81 1x62 s GLN 62 Ca 0.10 -2.05 0.05 0.00 0.02 0.00 0.00 55.36 53.47 1x62 s GLN 62 Cb -0.04 -0.31 -0.00 0.00 1.00 0.00 0.00 33.01 33.65 1x62 s GLN 62 CO 0.12 -0.48 -0.18 0.96 -2.12 0.00 0.00 175.29 173.58 1x62 s ILE 63 N -3.38 1.54 0.29 1.08 -4.36 -1.26 -1.98 121.20 113.13 1x62 s ILE 63 Ca 0.31 -0.78 0.02 0.00 -0.26 0.00 0.00 60.65 59.94 1x62 s ILE 63 Cb 0.04 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1x62 s ILE 63 CO 0.18 0.44 0.29 -0.31 0.24 0.00 0.00 174.94 175.78 1x62 s TYR 64 N -0.00 1.38 -0.01 1.37 2.02 -1.21 -2.12 117.35 118.79 1x62 s TYR 64 Ca -0.04 -1.46 -0.12 0.00 -0.37 0.00 0.00 57.07 55.08 1x62 s TYR 64 Cb -0.12 -0.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 1x62 s TYR 64 CO 0.02 -0.87 0.34 0.00 -1.57 0.00 0.00 175.55 173.47 1x62 n GLU 66 N 1.63 -0.04 0.28 0.00 2.13 -1.26 0.10 120.64 123.49 1x62 n GLU 66 Ca -0.14 0.87 -0.17 0.00 0.66 0.00 0.00 57.16 58.38 1x62 n GLU 66 Cb 0.53 -1.58 -0.09 0.00 0.27 0.00 0.00 31.44 30.57 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 -0.89 -0.01 5.31 3.11 -1.95 -1.48 116.57 120.66 1x62 h LYS 67 Ca 0.54 0.06 -0.02 0.00 -2.81 0.00 0.00 60.65 58.42 1x62 h LYS 67 Cb 1.45 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.88 1x62 h LYS 67 CO -0.48 -0.59 -0.09 0.45 -2.81 0.00 0.00 179.45 175.93 1x62 h HIS 68 N -0.92 0.11 -0.74 1.91 3.86 0.33 -3.29 115.15 116.41 1x62 h HIS 68 Ca -0.05 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.18 1x62 h HIS 68 Cb 0.81 -0.02 -0.10 0.00 1.06 0.00 0.00 27.41 29.16 1x62 h HIS 68 CO -0.23 0.76 -0.52 0.00 0.86 0.00 0.00 177.93 178.80 1x62 h ALA 69 N 0.33 -0.56 -0.54 2.45 0.00 -0.47 1.31 119.26 121.78 1x62 h ALA 69 Ca -0.01 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.14 1x62 h ALA 69 Cb 0.77 1.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.81 1x62 h ALA 69 CO 0.02 -0.90 0.59 0.07 0.00 0.00 0.00 179.25 179.03 1x62 h ARG 70 N -0.10 0.00 0.00 0.00 0.11 -1.39 1.07 114.38 114.08 1x62 h ARG 70 Ca 0.12 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.14 1x62 h ARG 70 Cb 0.41 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 1x62 h ARG 70 CO -0.75 0.00 -0.90 0.93 0.10 0.00 0.00 179.97 179.34 1x62 h GLU 71 N 0.00 0.00 0.07 0.08 5.08 0.14 -3.32 114.58 116.64 1x62 h GLU 71 Ca 0.26 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.30 1x62 h GLU 71 Cb 1.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1x62 h GLU 71 CO -0.00 0.13 -1.70 0.00 -1.00 0.00 0.00 179.01 176.44 1x62 h ARG 72 N 0.00 0.16 -0.17 2.33 3.08 0.43 -3.37 114.38 116.84 1x62 h ARG 72 Ca -0.04 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.75 1x62 h ARG 72 Cb 1.20 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 1x62 h ARG 72 CO 0.02 0.92 0.08 -0.39 -1.07 0.00 0.00 179.97 179.52 1x62 h VAL 73 N 0.04 0.99 -3.54 2.04 -1.51 -0.64 -3.43 116.25 110.20 1x62 h VAL 73 Ca -0.30 -0.06 -0.47 0.00 -1.23 0.00 0.00 66.70 64.64 1x62 h VAL 73 Cb 2.01 0.80 0.05 0.00 -2.13 0.00 0.00 31.29 32.03 1x62 h VAL 73 CO 0.11 0.03 0.14 -0.94 -1.23 0.00 0.00 177.57 175.68 1x62 s SER 74 N -5.31 5.66 0.00 4.19 1.04 -1.25 -5.10 113.70 112.94 1x62 s SER 74 Ca -0.13 0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1x62 s SER 74 Cb 0.08 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1x62 s SER 74 CO 0.69 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1x62 n GLY 75 N -2.51 -0.16 3.77 7.32 0.00 -1.26 -4.90 105.19 107.45 1x62 n GLY 75 Ca 0.04 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.20 0.25 1.61 0.04 -1.26 -4.93 135.00 133.90 1x62 s PRO 76 Ca 0.00 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 1x62 s PRO 76 Cb 0.00 -1.99 0.46 0.00 0.04 0.00 0.00 34.50 33.01 1x62 s PRO 76 CO 0.00 -0.96 1.67 0.66 0.04 0.00 0.00 177.00 178.41 1x62 h SER 77 N 0.87 -0.08 -3.02 6.66 4.64 -1.95 -3.39 113.55 117.29 1x62 h SER 77 Ca -0.49 0.16 -0.61 0.00 -0.47 0.00 0.00 61.79 60.38 1x62 h SER 77 Cb 1.26 0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 63.54 1x62 h SER 77 CO 0.56 -0.08 -0.31 -0.44 -0.87 0.00 0.00 176.83 175.69 1x62 s SER 78 N -5.22 6.57 0.00 4.97 0.01 -1.26 -5.23 113.70 113.54 1x62 s SER 78 Ca -0.13 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1x62 s SER 78 Cb 0.22 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.31 1x62 s SER 78 CO 0.75 0.20 0.00 0.61 0.41 0.00 0.00 173.24 175.22