#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4i n SER 2 N 0.00 4.84 -3.89 1.61 2.88 -1.26 -5.01 113.62 112.80 1x4i n SER 2 Ca 0.00 -3.72 -0.18 0.00 -1.33 0.00 0.00 58.87 53.63 1x4i n SER 2 Cb 0.00 -0.36 -0.16 0.00 -0.75 0.00 0.00 64.21 62.94 1x4i n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4i s SER 3 N -3.59 0.75 0.00 -3.46 0.15 -1.26 -5.03 113.70 101.26 1x4i s SER 3 Ca 0.50 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1x4i s SER 3 Cb 0.41 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1x4i s SER 3 CO -0.00 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1x4i n GLY 4 N 3.82 1.72 3.36 9.45 0.00 -1.26 -5.17 105.19 117.11 1x4i n GLY 4 Ca -0.23 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 1x4i n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4i s SER 5 N 0.00 1.59 0.33 1.61 0.01 -1.26 -5.17 113.70 110.81 1x4i s SER 5 Ca 0.00 -1.38 0.08 0.00 1.31 0.00 0.00 55.95 55.96 1x4i s SER 5 Cb 0.00 0.08 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 1x4i s SER 5 CO 0.00 -0.69 0.26 -0.44 0.41 0.00 0.00 173.24 172.79 1x4i s SER 6 N -3.37 5.20 -0.30 2.44 0.01 -1.26 -5.12 113.70 111.31 1x4i s SER 6 Ca 0.37 -0.53 -0.15 0.00 1.31 0.00 0.00 55.95 56.95 1x4i s SER 6 Cb 0.08 -0.95 0.18 0.00 0.21 0.00 0.00 66.02 65.53 1x4i s SER 6 CO 0.14 -0.33 1.14 -0.83 0.41 0.00 0.00 173.24 173.77 1x4i s GLY 7 N -3.96 -0.40 -0.03 3.44 0.00 -1.26 -4.22 107.32 100.89 1x4i s GLY 7 Ca 0.40 2.77 -0.03 0.00 0.00 0.00 0.00 44.72 47.86 1x4i s GLY 7 CO 0.26 3.98 -0.06 -1.72 0.00 0.00 0.00 173.10 175.56 1x4i n TYR 8 N 5.36 0.00 -0.83 1.90 4.02 -0.05 -4.63 117.16 122.94 1x4i n TYR 8 Ca -0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.52 1x4i n TYR 8 Cb 0.55 -0.09 0.11 0.00 -0.02 0.00 0.00 39.34 39.89 1x4i n TYR 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x4i h ILE 10 N -1.50 0.57 0.00 0.00 3.07 -1.94 0.68 117.51 118.39 1x4i h ILE 10 Ca -0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.96 1x4i h ILE 10 Cb 1.31 0.64 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1x4i h ILE 10 CO 0.32 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.42 1x4i n ASN 12 N -0.46 -2.34 -4.34 0.00 2.85 0.24 -4.98 115.26 106.23 1x4i n ASN 12 Ca 0.00 -1.02 -0.18 0.00 -0.11 0.00 0.00 54.58 53.26 1x4i n ASN 12 Cb 0.02 -3.11 -0.10 0.00 1.24 0.00 0.00 39.78 37.83 1x4i n ASN 12 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1x4i s GLN 13 N -6.39 1.32 0.92 1.20 -1.52 -1.25 -4.42 119.66 109.52 1x4i s GLN 13 Ca 0.20 -1.59 -0.12 0.00 -1.95 0.00 0.00 55.36 51.90 1x4i s GLN 13 Cb -0.08 -1.06 0.08 0.00 -0.22 0.00 0.00 33.01 31.73 1x4i s GLN 13 CO 0.88 0.16 0.78 1.33 -0.25 0.00 0.00 175.29 178.19 1x4i n VAL 14 N -0.38 0.22 -2.84 1.09 0.24 -1.26 -0.87 118.33 114.53 1x4i n VAL 14 Ca -0.08 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.34 61.67 1x4i n VAL 14 Cb 0.61 -0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 32.12 1x4i n VAL 14 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x4i s SER 15 N -2.27 6.49 0.35 -1.34 0.01 -1.26 -4.78 113.70 110.90 1x4i s SER 15 Ca 0.63 -1.65 0.04 0.00 1.31 0.00 0.00 55.95 56.27 1x4i s SER 15 Cb -0.23 -2.44 -0.05 0.00 0.21 0.00 0.00 66.02 63.51 1x4i s SER 15 CO 0.62 -1.25 0.07 -0.72 0.41 0.00 0.00 173.24 172.37 1x4i s TYR 16 N 3.48 1.91 0.00 2.43 1.13 -1.26 -5.08 117.35 119.95 1x4i s TYR 16 Ca 0.32 -1.04 0.00 0.00 -1.41 0.00 0.00 57.07 54.94 1x4i s TYR 16 Cb -0.07 -1.27 0.00 0.00 -1.10 0.00 0.00 41.96 39.52 1x4i s TYR 16 CO -0.04 -0.06 0.00 0.41 -2.51 0.00 0.00 175.55 173.35 1x4i n GLY 17 N -0.77 0.17 3.62 5.49 0.00 -1.26 -4.46 105.19 107.98 1x4i n GLY 17 Ca -0.04 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1x4i n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x4i s GLU 18 N 0.00 3.80 0.02 1.61 2.02 -1.26 -5.01 118.70 119.89 1x4i s GLU 18 Ca 0.00 1.18 0.07 0.00 0.02 0.00 0.00 54.97 56.24 1x4i s GLU 18 Cb 0.00 -3.94 -0.03 0.00 0.10 0.00 0.00 34.13 30.27 1x4i s GLU 18 CO 0.00 -1.27 -0.20 -1.64 0.02 0.00 0.00 175.26 172.17 1x4i s MET 19 N 4.44 2.08 -0.38 1.61 -1.94 -1.26 -3.50 119.30 120.35 1x4i s MET 19 Ca 0.59 -0.96 -0.06 0.00 -1.71 0.00 0.00 55.69 53.54 1x4i s MET 19 Cb -0.16 -2.16 0.07 0.00 2.01 0.00 0.00 34.83 34.59 1x4i s MET 19 CO 0.26 0.55 0.18 0.54 -0.01 0.00 0.00 175.02 176.54 1x4i s VAL 20 N -0.85 3.76 -0.03 -6.03 0.11 -0.47 -4.91 120.40 111.98 1x4i s VAL 20 Ca 0.13 -1.49 -0.30 0.00 -2.93 0.00 0.00 61.98 57.40 1x4i s VAL 20 Cb -0.10 -3.30 -0.06 0.00 -1.53 0.00 0.00 36.38 31.38 1x4i s VAL 20 CO 0.03 -0.42 1.69 -0.83 -3.33 0.00 0.00 175.10 172.24 1x4i s GLY 21 N 1.79 1.53 0.08 6.54 0.00 -1.26 -3.12 107.32 112.89 1x4i s GLY 21 Ca 0.02 1.02 -0.37 0.00 0.00 0.00 0.00 44.72 45.39 1x4i s GLY 21 CO 0.00 3.07 1.24 0.00 0.00 0.00 0.00 173.10 177.42 1x4i h ASP 23 N 4.00 0.00 -3.17 0.00 5.19 -1.88 -3.36 116.42 117.20 1x4i h ASP 23 Ca -0.47 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.27 1x4i h ASP 23 Cb 1.36 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.70 1x4i h ASP 23 CO 0.74 0.00 0.19 0.21 -3.12 0.00 0.00 179.24 177.26 1x4i s ASN 24 N -5.47 6.24 0.46 6.45 2.47 -1.26 -4.91 114.94 118.93 1x4i s ASN 24 Ca -0.04 -0.84 0.18 0.00 0.42 0.00 0.00 52.86 52.57 1x4i s ASN 24 Cb 0.15 -2.33 1.16 0.00 -1.45 0.00 0.00 41.25 38.78 1x4i s ASN 24 CO 0.54 -1.02 1.98 0.06 -3.72 0.00 0.00 177.10 174.94 1x4i h GLN 25 N 9.11 0.26 -0.01 0.43 -0.00 -1.98 0.14 115.11 123.06 1x4i h GLN 25 Ca -0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 1x4i h GLN 25 Cb 1.09 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.48 28.51 1x4i h GLN 25 CO 1.02 0.17 0.11 -0.44 -0.00 0.00 0.00 178.83 179.69 1x4i h ASP 26 N 0.27 0.00 -2.46 0.06 3.32 -1.92 -3.43 116.42 112.26 1x4i h ASP 26 Ca 0.28 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.73 1x4i h ASP 26 Cb 0.73 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.36 1x4i h ASP 26 CO -0.06 0.00 0.54 0.00 -1.72 0.00 0.00 179.24 178.00 1x4i h PRO 28 N 4.12 0.00 0.00 0.00 0.13 -1.88 -3.32 132.00 131.05 1x4i h PRO 28 Ca -0.45 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.34 1x4i h PRO 28 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1x4i h PRO 28 CO 0.75 0.12 -2.14 -0.89 -0.23 0.00 0.00 178.00 175.60 1x4i n ILE 29 N -3.30 1.12 -2.28 -3.56 5.41 -1.26 -4.98 119.36 110.52 1x4i n ILE 29 Ca -0.00 -0.30 -0.09 0.00 1.00 0.00 0.00 62.75 63.37 1x4i n ILE 29 Cb 0.34 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.53 1x4i n ILE 29 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x4i n GLU 30 N -3.85 -2.27 -3.15 0.38 2.13 -1.25 -4.85 120.64 107.78 1x4i n GLU 30 Ca -0.40 0.43 0.04 0.00 0.66 0.00 0.00 57.16 57.90 1x4i n GLU 30 Cb 0.79 -4.94 -0.01 0.00 0.27 0.00 0.00 31.44 27.55 1x4i n GLU 30 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1x4i s TRP 31 N -2.33 -1.30 0.06 4.31 0.52 -1.26 -3.45 118.94 115.49 1x4i s TRP 31 Ca 0.00 1.08 0.06 0.00 0.02 0.00 0.00 56.10 57.26 1x4i s TRP 31 Cb 0.00 0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 32.64 1x4i s TRP 31 CO 0.00 -0.73 -0.16 -0.06 0.02 0.00 0.00 176.95 176.02 1x4i s PHE 32 N 2.88 1.39 0.65 -1.98 0.40 -1.18 -3.16 117.98 116.99 1x4i s PHE 32 Ca 0.14 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.94 1x4i s PHE 32 Cb -0.11 -0.80 -0.01 0.00 0.51 0.00 0.00 43.02 42.61 1x4i s PHE 32 CO -0.21 0.07 1.08 -1.01 0.70 0.00 0.00 175.22 175.85 1x4i s HIS 33 N -0.99 2.86 0.17 0.36 3.76 -1.26 -1.36 115.29 118.82 1x4i s HIS 33 Ca 0.02 1.51 -0.04 0.00 -0.15 0.00 0.00 55.06 56.40 1x4i s HIS 33 Cb -0.09 -3.03 0.05 0.00 1.11 0.00 0.00 32.58 30.61 1x4i s HIS 33 CO 0.02 -1.38 1.44 1.88 -0.85 0.00 0.00 174.74 175.85 1x4i h TYR 34 N -0.07 0.70 0.00 1.40 -1.99 -1.89 -2.49 116.97 112.63 1x4i h TYR 34 Ca -0.46 -0.28 -0.13 0.00 2.00 0.00 0.00 58.73 59.86 1x4i h TYR 34 Cb 1.23 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.82 1x4i h TYR 34 CO 0.58 1.04 -0.62 0.78 -0.00 0.00 0.00 178.16 179.94 1x4i h GLY 35 N 1.07 0.00 1.40 3.88 0.00 -1.90 0.67 103.07 108.20 1x4i h GLY 35 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.07 1x4i h GLY 35 CO 0.12 0.00 -1.00 0.00 0.00 0.00 0.00 176.54 175.67 1x4i n VAL 37 N -3.79 1.09 -0.66 0.00 0.24 -0.94 -5.02 118.33 109.26 1x4i n VAL 37 Ca -0.09 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 1x4i n VAL 37 Cb 0.86 -0.59 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1x4i n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1x4i n GLY 38 N 1.47 0.44 2.65 7.63 0.00 0.19 -5.07 105.19 112.50 1x4i n GLY 38 Ca -0.15 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1x4i n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4i s LEU 39 N -0.97 3.05 0.53 0.99 1.43 0.14 -4.96 118.68 118.90 1x4i s LEU 39 Ca 0.00 -3.38 0.41 0.00 -1.03 0.00 0.00 54.13 50.14 1x4i s LEU 39 Cb 0.00 -1.03 1.60 0.00 0.03 0.00 0.00 46.19 46.80 1x4i s LEU 39 CO 0.00 -0.14 1.67 0.71 0.23 0.00 0.00 176.35 178.82 1x4i h THR 40 N 4.58 0.18 -3.93 5.49 1.35 -1.98 -3.42 112.91 115.17 1x4i h THR 40 Ca 0.19 -0.01 -0.27 0.00 -0.55 0.00 0.00 66.41 65.76 1x4i h THR 40 Cb 0.84 0.15 -0.07 0.00 -1.73 0.00 0.00 68.15 67.34 1x4i h THR 40 CO 0.54 0.01 -0.15 -1.84 -0.25 0.00 0.00 175.52 173.82 1x4i n GLU 41 N -4.17 0.65 -2.21 4.72 0.28 -1.26 -5.13 120.64 113.52 1x4i n GLU 41 Ca 0.36 -2.66 -0.42 0.00 -0.16 0.00 0.00 57.16 54.28 1x4i n GLU 41 Cb 1.62 2.54 -0.03 0.00 1.43 0.00 0.00 31.44 37.01 1x4i n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4i s ALA 42 N -2.73 3.57 -0.38 -1.84 0.00 -1.26 -4.95 121.76 114.17 1x4i s ALA 42 Ca 0.28 0.99 -0.28 0.00 0.00 0.00 0.00 51.96 52.95 1x4i s ALA 42 Cb -0.01 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1x4i s ALA 42 CO 0.20 -0.73 1.72 -1.25 0.00 0.00 0.00 175.76 175.69 1x4i s PRO 43 N 1.69 3.31 0.11 0.00 0.04 -1.26 -4.90 135.00 134.00 1x4i s PRO 43 Ca 0.64 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.68 1x4i s PRO 43 Cb -0.34 -4.18 -0.09 0.00 0.04 0.00 0.00 34.50 29.94 1x4i s PRO 43 CO 0.29 -1.88 1.70 0.87 0.04 0.00 0.00 177.00 178.01 1x4i h LYS 44 N 12.59 -0.11 0.00 4.56 1.57 -2.06 -3.44 116.57 129.69 1x4i h LYS 44 Ca -0.31 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1x4i h LYS 44 Cb 1.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1x4i h LYS 44 CO 1.06 -0.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.28 1x4i n GLY 45 N -1.20 -0.32 3.74 3.86 0.00 -1.26 -5.01 105.19 105.00 1x4i n GLY 45 Ca -0.05 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 1x4i n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4i s LYS 46 N 0.00 4.55 -0.08 1.61 -0.14 -1.26 -5.06 119.74 119.36 1x4i s LYS 46 Ca 0.00 1.17 0.05 0.00 -1.36 0.00 0.00 55.97 55.82 1x4i s LYS 46 Cb 0.00 -3.37 -0.00 0.00 -1.68 0.00 0.00 37.83 32.78 1x4i s LYS 46 CO 0.00 0.25 -0.22 -0.46 -0.76 0.00 0.00 175.35 174.16 1x4i s TRP 47 N -0.00 2.30 -0.13 3.18 -0.00 -1.26 -5.11 118.94 117.91 1x4i s TRP 47 Ca 0.41 -0.82 -0.00 0.00 -0.00 0.00 0.00 56.10 55.68 1x4i s TRP 47 Cb -0.21 -1.54 0.03 0.00 -0.00 0.00 0.00 33.47 31.75 1x4i s TRP 47 CO 0.25 -0.31 -0.08 0.71 -0.00 0.00 0.00 176.95 177.52 1x4i s TYR 48 N 0.17 1.63 0.80 5.86 2.02 -1.26 -2.97 117.35 123.61 1x4i s TYR 48 Ca -0.12 -0.89 -0.17 0.00 -0.37 0.00 0.00 57.07 55.52 1x4i s TYR 48 Cb -0.16 -1.30 -0.10 0.00 -0.40 0.00 0.00 41.96 40.00 1x4i s TYR 48 CO 0.06 -0.56 -0.20 0.00 -1.57 0.00 0.00 175.55 173.28 1x4i n PRO 50 N 1.05 0.04 0.06 0.00 -0.04 -1.26 -2.41 135.00 132.43 1x4i n PRO 50 Ca 0.04 0.29 -0.06 0.00 -0.04 0.00 0.00 63.50 63.73 1x4i n PRO 50 Cb 0.52 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 1x4i n PRO 50 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1x4i h GLN 51 N 0.00 0.00 0.00 0.54 4.20 -2.00 -3.26 115.11 114.59 1x4i h GLN 51 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1x4i h GLN 51 Cb 0.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1x4i h GLN 51 CO 0.00 0.82 -0.47 0.00 -0.67 0.00 0.00 178.83 178.51 1x4i h THR 53 N -1.00 0.21 -0.41 0.00 2.02 -1.68 1.03 112.91 113.08 1x4i h THR 53 Ca -0.05 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.94 1x4i h THR 53 Cb 0.52 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1x4i h THR 53 CO -0.03 0.03 -0.31 0.00 0.37 0.00 0.00 175.52 175.58 1x4i h ALA 54 N 1.56 0.67 -0.02 6.16 0.00 -1.72 -1.69 119.26 124.23 1x4i h ALA 54 Ca 0.77 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 1x4i h ALA 54 Cb 2.40 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 20.06 1x4i h ALA 54 CO -0.35 0.67 -0.55 0.00 0.00 0.00 0.00 179.25 179.03 1x4i h ALA 55 N 0.88 0.09 -0.68 0.00 0.00 0.83 -3.08 119.26 117.30 1x4i h ALA 55 Ca 0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x4i h ALA 55 Cb 0.88 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1x4i h ALA 55 CO 0.08 0.33 0.40 0.52 0.00 0.00 0.00 179.25 180.58 1x4i h MET 56 N -0.10 0.92 -0.44 0.00 2.86 -0.59 -2.55 114.93 115.02 1x4i h MET 56 Ca -0.06 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1x4i h MET 56 Cb 1.25 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.69 1x4i h MET 56 CO 0.11 0.65 0.20 0.87 1.06 0.00 0.00 176.91 179.79 1x4i h LYS 57 N 0.93 0.65 -0.79 1.72 1.57 -1.35 -2.89 116.57 116.41 1x4i h LYS 57 Ca 0.24 -0.11 0.19 0.00 -1.87 0.00 0.00 60.65 59.11 1x4i h LYS 57 Cb -0.03 -0.11 -0.13 0.00 0.08 0.00 0.00 32.23 32.04 1x4i h LYS 57 CO -0.05 0.58 0.10 0.00 -0.57 0.00 0.00 179.45 179.51 1x4i h ARG 58 N 0.57 0.15 -0.53 3.15 3.08 -1.36 0.68 114.38 120.13 1x4i h ARG 58 Ca 0.15 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.30 1x4i h ARG 58 Cb 0.15 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1x4i h ARG 58 CO -0.02 0.10 0.36 0.00 -1.07 0.00 0.00 179.97 179.35 1x4i h ARG 59 N 0.16 0.24 0.00 0.04 -0.00 -1.52 -3.36 114.38 109.94 1x4i h ARG 59 Ca 0.45 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.92 1x4i h ARG 59 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.75 1x4i h ARG 59 CO -0.64 0.16 0.00 0.41 0.00 0.00 0.00 179.97 179.89 1x4i n GLY 60 N -1.56 0.46 2.72 0.04 0.00 0.24 -4.99 105.19 102.10 1x4i n GLY 60 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1x4i n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4i s SER 61 N -1.36 0.99 -0.13 1.61 0.01 -1.17 -5.13 113.70 108.52 1x4i s SER 61 Ca 0.00 0.15 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1x4i s SER 61 Cb 0.00 -0.02 0.13 0.00 0.21 0.00 0.00 66.02 66.34 1x4i s SER 61 CO 0.00 -0.24 1.01 -0.60 0.41 0.00 0.00 173.24 173.82 1x4i s ARG 62 N 2.16 0.59 0.39 12.44 6.06 -1.26 -4.88 118.95 134.46 1x4i s ARG 62 Ca 0.04 -0.03 -0.27 0.00 -2.50 0.00 0.00 55.73 52.97 1x4i s ARG 62 Cb -0.12 0.28 -0.09 0.00 0.06 0.00 0.00 34.95 35.07 1x4i s ARG 62 CO -0.04 -0.22 1.35 -3.38 -2.50 0.00 0.00 175.30 170.51 1x4i s HIS 63 N -1.88 2.79 0.25 5.12 -3.43 -1.26 -4.99 115.29 111.89 1x4i s HIS 63 Ca 0.02 1.35 -0.24 0.00 -0.80 0.00 0.00 55.06 55.39 1x4i s HIS 63 Cb -0.01 -3.76 -0.09 0.00 -1.43 0.00 0.00 32.58 27.29 1x4i s HIS 63 CO -0.03 -2.30 0.84 0.15 -2.00 0.00 0.00 174.74 171.41 1x4i s LYS 64 N -2.14 4.51 -0.20 -0.38 1.02 -1.26 -4.95 119.74 116.33 1x4i s LYS 64 Ca 0.55 1.17 -0.42 0.00 0.02 0.00 0.00 55.97 57.28 1x4i s LYS 64 Cb -0.41 -2.96 -0.20 0.00 -0.52 0.00 0.00 37.83 33.75 1x4i s LYS 64 CO 0.53 0.40 1.33 -1.13 -0.92 0.00 0.00 175.35 175.56 1x4i n SER 65 N 0.91 0.69 -4.06 2.83 3.41 -1.26 -4.92 113.62 111.22 1x4i n SER 65 Ca -0.01 1.16 -0.30 0.00 -0.26 0.00 0.00 58.87 59.46 1x4i n SER 65 Cb 0.50 -0.93 0.20 0.00 -0.26 0.00 0.00 64.21 63.72 1x4i n SER 65 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4i s GLY 66 N 1.37 1.67 -0.99 5.00 0.00 -1.26 -4.90 107.32 108.21 1x4i s GLY 66 Ca 0.96 -1.02 -0.24 0.00 0.00 0.00 0.00 44.72 44.43 1x4i s GLY 66 CO 0.66 -0.22 1.94 2.56 0.00 0.00 0.00 173.10 178.05 1x4i s PRO 67 N -5.61 2.53 -0.25 2.90 0.04 -1.26 -4.92 135.00 128.43 1x4i s PRO 67 Ca 0.72 -0.57 -0.37 0.00 0.04 0.00 0.00 61.00 60.82 1x4i s PRO 67 Cb -0.08 -5.12 -0.13 0.00 0.04 0.00 0.00 34.50 29.21 1x4i s PRO 67 CO 0.54 -3.58 1.91 0.43 0.04 0.00 0.00 177.00 176.35 1x4i n SER 68 N 14.14 2.63 -4.88 6.66 7.64 -1.26 -4.94 113.62 133.61 1x4i n SER 68 Ca 0.42 0.86 -0.34 0.00 1.01 0.00 0.00 58.87 60.82 1x4i n SER 68 Cb 0.47 -1.24 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 1x4i n SER 68 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4i s SER 69 N 4.78 6.54 0.00 6.43 0.15 -1.26 -5.32 113.70 125.02 1x4i s SER 69 Ca 1.00 0.63 0.26 0.00 0.70 0.00 0.00 55.95 58.55 1x4i s SER 69 Cb -0.90 -2.11 0.71 0.00 -1.71 0.00 0.00 66.02 62.00 1x4i s SER 69 CO 0.57 0.19 1.55 0.61 1.20 0.00 0.00 173.24 177.37