#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4i s SER 2 N 0.00 6.82 0.35 1.61 0.01 -1.26 -5.09 113.70 116.14 1x4i s SER 2 Ca 0.00 1.17 0.05 0.00 1.31 0.00 0.00 55.95 58.48 1x4i s SER 2 Cb 0.00 -2.33 -0.07 0.00 0.21 0.00 0.00 66.02 63.84 1x4i s SER 2 CO 0.00 -0.03 0.04 -0.94 0.41 0.00 0.00 173.24 172.72 1x4i s SER 3 N -1.99 2.77 0.00 2.44 1.04 -1.26 -5.08 113.70 111.62 1x4i s SER 3 Ca 0.45 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1x4i s SER 3 Cb -0.13 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1x4i s SER 3 CO 0.20 -0.56 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1x4i n GLY 4 N -0.76 0.10 4.05 7.32 0.00 -1.26 -5.00 105.19 109.65 1x4i n GLY 4 Ca -0.03 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1x4i n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4i n SER 5 N 0.00 -3.87 -4.68 1.61 2.88 -1.26 -4.89 113.62 103.41 1x4i n SER 5 Ca 0.00 -0.89 -0.42 0.00 -1.33 0.00 0.00 58.87 56.22 1x4i n SER 5 Cb 0.00 -3.35 -0.03 0.00 -0.75 0.00 0.00 64.21 60.09 1x4i n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4i s SER 6 N -3.37 7.21 -0.30 -3.46 0.01 -1.26 -5.00 113.70 107.53 1x4i s SER 6 Ca 0.66 1.55 -0.16 0.00 1.31 0.00 0.00 55.95 59.31 1x4i s SER 6 Cb -0.34 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.51 1x4i s SER 6 CO 0.88 -0.48 1.09 -0.83 0.41 0.00 0.00 173.24 174.30 1x4i s GLY 7 N 1.16 -0.06 -0.01 3.44 0.00 -1.26 -4.11 107.32 106.47 1x4i s GLY 7 Ca 0.49 3.22 -0.02 0.00 0.00 0.00 0.00 44.72 48.40 1x4i s GLY 7 CO 0.17 3.34 -0.05 -1.72 0.00 0.00 0.00 173.10 174.85 1x4i n TYR 8 N 4.89 0.00 -0.86 1.90 4.02 -0.12 -4.66 117.16 122.32 1x4i n TYR 8 Ca -0.08 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.47 1x4i n TYR 8 Cb 0.54 -0.07 0.09 0.00 -0.02 0.00 0.00 39.34 39.88 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 -1.40 0.53 -0.03 0.00 3.07 -1.94 0.63 117.51 118.37 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 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 1x4i h ILE 10 CO 0.30 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.40 1x4i n ASN 12 N -0.37 -1.61 -4.33 0.00 4.13 0.22 -4.98 115.26 108.33 1x4i n ASN 12 Ca 0.01 -0.99 -0.18 0.00 1.68 0.00 0.00 54.58 55.10 1x4i n ASN 12 Cb 0.05 -3.21 -0.10 0.00 -1.54 0.00 0.00 39.78 34.98 1x4i n ASN 12 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1x4i s GLN 13 N -6.38 1.28 0.80 3.52 -1.52 -1.25 -4.43 119.66 111.68 1x4i s GLN 13 Ca 0.12 -1.56 -0.14 0.00 -1.95 0.00 0.00 55.36 51.83 1x4i s GLN 13 Cb -0.04 -1.05 0.03 0.00 -0.22 0.00 0.00 33.01 31.73 1x4i s GLN 13 CO 0.88 0.17 0.87 1.33 -0.25 0.00 0.00 175.29 178.28 1x4i n VAL 14 N -0.33 1.75 -2.66 1.09 0.24 -1.26 -0.95 118.33 116.22 1x4i n VAL 14 Ca -0.08 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.52 1x4i n VAL 14 Cb 0.60 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.97 1x4i n VAL 14 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1x4i s SER 15 N -1.87 6.49 0.39 -1.34 1.04 -1.26 -4.80 113.70 112.34 1x4i s SER 15 Ca 0.69 -1.48 0.04 0.00 0.48 0.00 0.00 55.95 55.67 1x4i s SER 15 Cb -0.30 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.25 1x4i s SER 15 CO 0.55 -1.43 0.07 -0.72 0.98 0.00 0.00 173.24 172.69 1x4i s TYR 16 N 4.48 1.94 0.09 5.02 -0.85 -1.26 -5.08 117.35 121.69 1x4i s TYR 16 Ca 0.41 -1.05 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 1x4i s TYR 16 Cb -0.03 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 40.99 1x4i s TYR 16 CO -0.07 -0.03 0.00 0.41 -1.52 0.00 0.00 175.55 174.34 1x4i n GLY 17 N -0.87 -0.89 3.64 5.49 0.00 -1.26 -4.47 105.19 106.82 1x4i n GLY 17 Ca -0.06 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.75 3.77 0.04 1.61 2.02 -1.26 -4.97 118.70 119.15 1x4i s GLU 18 Ca 0.00 2.31 0.09 0.00 0.02 0.00 0.00 54.97 57.39 1x4i s GLU 18 Cb 0.00 -4.22 -0.03 0.00 0.10 0.00 0.00 34.13 29.99 1x4i s GLU 18 CO 0.00 -1.37 -0.25 -1.64 0.02 0.00 0.00 175.26 172.01 1x4i s MET 19 N 5.11 1.74 -0.35 1.61 -1.94 -1.26 -3.15 119.30 121.06 1x4i s MET 19 Ca 0.90 -1.07 -0.03 0.00 -1.71 0.00 0.00 55.69 53.78 1x4i s MET 19 Cb -0.37 -1.90 0.07 0.00 2.01 0.00 0.00 34.83 34.65 1x4i s MET 19 CO 0.38 0.49 0.10 0.54 -0.01 0.00 0.00 175.02 176.52 1x4i s VAL 20 N -0.79 3.23 0.07 -6.03 0.11 -0.11 -4.90 120.40 111.97 1x4i s VAL 20 Ca 0.11 -1.65 -0.31 0.00 -2.93 0.00 0.00 61.98 57.21 1x4i s VAL 20 Cb -0.10 -3.02 -0.08 0.00 -1.53 0.00 0.00 36.38 31.65 1x4i s VAL 20 CO 0.02 -0.38 1.67 -0.83 -3.33 0.00 0.00 175.10 172.25 1x4i s GLY 21 N 1.52 1.54 0.18 6.54 0.00 -1.26 -3.06 107.32 112.79 1x4i s GLY 21 Ca 0.01 1.21 -0.33 0.00 0.00 0.00 0.00 44.72 45.62 1x4i s GLY 21 CO -0.02 2.91 1.27 0.00 0.00 0.00 0.00 173.10 177.26 1x4i h ASP 23 N 3.86 0.00 -3.12 0.00 5.19 -1.86 -3.35 116.42 117.14 1x4i h ASP 23 Ca -0.44 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.30 1x4i h ASP 23 Cb 1.32 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.66 1x4i h ASP 23 CO 0.73 0.00 0.20 0.21 -3.12 0.00 0.00 179.24 177.26 1x4i s ASN 24 N -5.48 6.23 0.46 6.45 2.47 -1.26 -4.91 114.94 118.90 1x4i s ASN 24 Ca -0.04 -0.92 0.19 0.00 0.42 0.00 0.00 52.86 52.51 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 0.55 -1.05 1.94 -0.61 -3.72 0.00 0.00 177.10 174.21 1x4i h GLN 25 N 9.14 0.28 -0.02 0.43 4.15 -1.98 0.23 115.11 127.35 1x4i h GLN 25 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1x4i h GLN 25 Cb 1.09 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 1x4i h GLN 25 CO 1.03 0.18 0.04 -0.44 -1.93 0.00 0.00 178.83 177.72 1x4i h ASP 26 N 0.28 0.00 -2.00 -0.69 3.32 -1.92 -3.44 116.42 111.98 1x4i h ASP 26 Ca 0.33 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.74 1x4i h ASP 26 Cb 0.91 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.54 1x4i h ASP 26 CO -0.08 0.00 0.33 0.00 -1.72 0.00 0.00 179.24 177.77 1x4i h PRO 28 N 3.61 0.00 0.00 0.00 0.13 -1.88 -3.30 132.00 130.56 1x4i h PRO 28 Ca -0.44 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.38 1x4i h PRO 28 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1x4i h PRO 28 CO 0.72 0.03 -2.09 -0.89 -0.23 0.00 0.00 178.00 175.54 1x4i n ILE 29 N -3.15 1.08 -1.96 -3.56 5.41 -1.26 -4.97 119.36 110.95 1x4i n ILE 29 Ca 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 62.75 63.38 1x4i n ILE 29 Cb 0.31 -1.54 -0.01 0.00 -0.71 0.00 0.00 39.64 37.69 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 -3.57 -2.10 -3.15 0.38 2.13 -1.24 -4.81 120.64 108.27 1x4i n GLU 30 Ca -0.37 0.23 0.04 0.00 0.66 0.00 0.00 57.16 57.73 1x4i n GLU 30 Cb 0.81 -4.59 -0.01 0.00 0.27 0.00 0.00 31.44 27.91 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 -1.90 -1.36 0.07 4.31 0.52 -1.26 -3.51 118.94 115.81 1x4i s TRP 31 Ca 0.00 1.23 0.06 0.00 0.02 0.00 0.00 56.10 57.41 1x4i s TRP 31 Cb 0.00 0.40 -0.03 0.00 -1.15 0.00 0.00 33.47 32.69 1x4i s TRP 31 CO 0.00 -0.76 -0.16 -0.06 0.02 0.00 0.00 176.95 175.99 1x4i s PHE 32 N 2.88 1.39 0.60 -1.98 0.40 -1.17 -3.34 117.98 116.76 1x4i s PHE 32 Ca 0.15 -0.42 -0.16 0.00 -0.60 0.00 0.00 56.93 55.90 1x4i s PHE 32 Cb -0.12 -0.79 -0.03 0.00 0.51 0.00 0.00 43.02 42.59 1x4i s PHE 32 CO -0.20 0.09 1.06 -1.01 0.70 0.00 0.00 175.22 175.86 1x4i s HIS 33 N -1.10 2.95 0.13 0.36 3.76 -1.26 -0.94 115.29 119.19 1x4i s HIS 33 Ca 0.02 1.52 -0.11 0.00 -0.15 0.00 0.00 55.06 56.34 1x4i s HIS 33 Cb -0.09 -3.03 -0.07 0.00 1.11 0.00 0.00 32.58 30.50 1x4i s HIS 33 CO 0.02 -1.18 1.42 1.88 -0.85 0.00 0.00 174.74 176.03 1x4i h TYR 34 N 0.42 1.06 0.00 1.40 -1.99 -1.86 -2.31 116.97 113.68 1x4i h TYR 34 Ca -0.47 -0.38 -0.08 0.00 2.00 0.00 0.00 58.73 59.80 1x4i h TYR 34 Cb 1.22 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.74 1x4i h TYR 34 CO 0.58 1.20 -0.38 0.78 -0.00 0.00 0.00 178.16 180.34 1x4i h GLY 35 N 0.73 0.00 1.19 3.88 0.00 -1.88 0.90 103.07 107.88 1x4i h GLY 35 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.06 1x4i h GLY 35 CO 0.12 0.00 -1.18 0.00 0.00 0.00 0.00 176.54 175.49 1x4i n VAL 37 N -3.84 0.46 -1.17 0.00 0.24 -0.88 -5.02 118.33 108.13 1x4i n VAL 37 Ca -0.13 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1x4i n VAL 37 Cb 0.95 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 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 1.20 -0.07 2.63 7.63 0.00 0.27 -5.05 105.19 111.80 1x4i n GLY 38 Ca -0.01 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.52 2.25 0.41 0.99 1.43 0.11 -4.97 118.68 117.38 1x4i s LEU 39 Ca 0.00 -2.63 0.19 0.00 -1.03 0.00 0.00 54.13 50.66 1x4i s LEU 39 Cb 0.00 -0.85 1.11 0.00 0.03 0.00 0.00 46.19 46.49 1x4i s LEU 39 CO 0.00 -0.26 1.81 0.71 0.23 0.00 0.00 176.35 178.84 1x4i h THR 40 N 5.09 0.59 -3.99 5.49 1.35 -1.98 -3.44 112.91 116.01 1x4i h THR 40 Ca 0.04 -0.13 -0.30 0.00 -0.55 0.00 0.00 66.41 65.48 1x4i h THR 40 Cb 0.93 0.17 -0.07 0.00 -1.73 0.00 0.00 68.15 67.44 1x4i h THR 40 CO 0.43 0.07 -0.21 -1.84 -0.25 0.00 0.00 175.52 173.72 1x4i n GLU 41 N -4.55 0.55 -2.00 4.72 0.28 -1.26 -5.13 120.64 113.25 1x4i n GLU 41 Ca 0.23 -2.61 -0.42 0.00 -0.16 0.00 0.00 57.16 54.20 1x4i n GLU 41 Cb 0.81 2.40 -0.03 0.00 1.43 0.00 0.00 31.44 36.05 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 -2.80 3.72 -0.83 -1.84 0.00 -1.26 -4.90 121.76 113.84 1x4i s ALA 42 Ca 0.28 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 53.27 1x4i s ALA 42 Cb -0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1x4i s ALA 42 CO 0.20 -0.78 1.93 -1.25 0.00 0.00 0.00 175.76 175.87 1x4i s PRO 43 N 1.34 2.57 0.23 0.00 0.04 -1.26 -4.85 135.00 133.07 1x4i s PRO 43 Ca 0.69 -0.08 -0.10 0.00 0.04 0.00 0.00 61.00 61.55 1x4i s PRO 43 Cb -0.41 -4.91 0.34 0.00 0.04 0.00 0.00 34.50 29.56 1x4i s PRO 43 CO 0.31 -3.23 1.38 1.63 0.04 0.00 0.00 177.00 177.12 1x4i n LYS 44 N 8.93 -0.13 -0.03 4.56 5.02 -1.26 -4.46 118.16 130.80 1x4i n LYS 44 Ca 0.36 1.37 0.00 0.00 -2.02 0.00 0.00 58.31 58.02 1x4i n LYS 44 Cb 0.48 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 1x4i n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4i n GLY 45 N -1.51 -0.23 3.75 0.72 0.00 -1.26 -5.03 105.19 101.63 1x4i n GLY 45 Ca 0.12 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 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 0.15 4.73 0.02 1.61 -0.14 -1.26 -5.06 119.74 119.79 1x4i s LYS 46 Ca 0.00 1.60 0.07 0.00 -1.36 0.00 0.00 55.97 56.28 1x4i s LYS 46 Cb 0.00 -3.27 -0.02 0.00 -1.68 0.00 0.00 37.83 32.85 1x4i s LYS 46 CO 0.00 0.31 -0.21 -0.46 -0.76 0.00 0.00 175.35 174.23 1x4i s TRP 47 N -0.80 1.90 -0.07 3.18 -0.00 -1.26 -5.09 118.94 116.79 1x4i s TRP 47 Ca 0.44 -0.37 -0.01 0.00 -0.00 0.00 0.00 56.10 56.16 1x4i s TRP 47 Cb -0.28 -1.16 0.03 0.00 -0.00 0.00 0.00 33.47 32.06 1x4i s TRP 47 CO 0.34 0.05 0.00 0.71 -0.00 0.00 0.00 176.95 178.06 1x4i s TYR 48 N -0.69 0.66 0.80 5.86 2.02 -1.26 -2.72 117.35 122.01 1x4i s TYR 48 Ca 0.08 -0.16 -0.16 0.00 -0.37 0.00 0.00 57.07 56.46 1x4i s TYR 48 Cb -0.09 -0.79 -0.09 0.00 -0.40 0.00 0.00 41.96 40.59 1x4i s TYR 48 CO 0.01 -0.32 -0.10 0.00 -1.57 0.00 0.00 175.55 173.57 1x4i n PRO 50 N 0.76 0.03 0.05 0.00 -0.04 -1.26 -2.45 135.00 132.10 1x4i n PRO 50 Ca 0.05 0.29 -0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1x4i n PRO 50 Cb 0.52 -1.56 -0.12 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.02 0.00 0.54 4.20 -2.00 -3.24 115.11 114.62 1x4i h GLN 51 Ca 0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1x4i h GLN 51 Cb 0.26 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1x4i h GLN 51 CO 0.00 0.93 -0.46 0.00 -0.67 0.00 0.00 178.83 178.63 1x4i h THR 53 N -1.00 0.24 -0.20 0.00 2.02 -1.68 0.83 112.91 113.12 1x4i h THR 53 Ca -0.04 -0.04 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 1x4i h THR 53 Cb 0.51 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1x4i h THR 53 CO -0.03 0.02 -0.65 0.00 0.37 0.00 0.00 175.52 175.23 1x4i h ALA 54 N 1.49 0.35 -0.03 6.16 0.00 -1.71 -2.38 119.26 123.14 1x4i h ALA 54 Ca 0.74 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x4i h ALA 54 Cb 2.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1x4i h ALA 54 CO -0.26 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 1x4i h ALA 55 N 0.59 0.05 -0.95 0.00 0.00 0.47 -2.31 119.26 117.11 1x4i h ALA 55 Ca -0.02 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.64 1x4i h ALA 55 Cb 1.28 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1x4i h ALA 55 CO 0.14 -0.12 0.61 0.52 0.00 0.00 0.00 179.25 180.41 1x4i h MET 56 N -0.45 1.05 -0.29 0.00 2.86 -0.68 -2.18 114.93 115.24 1x4i h MET 56 Ca 0.00 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1x4i h MET 56 Cb 0.64 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1x4i h MET 56 CO 0.01 0.70 -0.04 0.87 1.06 0.00 0.00 176.91 179.51 1x4i h LYS 57 N 1.08 0.54 -0.32 1.72 1.57 -1.44 -2.72 116.57 117.01 1x4i h LYS 57 Ca 0.41 -0.19 0.09 0.00 -1.87 0.00 0.00 60.65 59.09 1x4i h LYS 57 Cb 0.20 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1x4i h LYS 57 CO -0.16 0.72 0.31 0.00 -0.57 0.00 0.00 179.45 179.75 1x4i h ARG 58 N 0.31 0.00 -0.81 3.15 3.08 -0.81 0.33 114.38 119.63 1x4i h ARG 58 Ca 0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 1x4i h ARG 58 Cb 0.50 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.44 1x4i h ARG 58 CO 0.02 0.00 0.23 0.54 -1.07 0.00 0.00 179.97 179.70 1x4i n ARG 59 N -3.90 3.21 0.00 0.04 1.74 -1.03 -4.92 116.66 111.81 1x4i n ARG 59 Ca 0.05 -2.49 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 1x4i n ARG 59 Cb 0.47 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1x4i n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4i n GLY 60 N -0.08 4.83 3.64 -0.13 0.00 0.12 -5.06 105.19 108.50 1x4i n GLY 60 Ca 0.34 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1x4i n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4i s SER 61 N 1.29 -0.84 -0.57 1.61 0.15 -1.26 -5.03 113.70 109.05 1x4i s SER 61 Ca 0.00 1.37 0.04 0.00 0.70 0.00 0.00 55.95 58.06 1x4i s SER 61 Cb 0.00 1.35 0.17 0.00 -1.71 0.00 0.00 66.02 65.83 1x4i s SER 61 CO 0.00 -0.22 0.42 -0.13 1.20 0.00 0.00 173.24 174.51 1x4i s ARG 62 N 1.44 1.72 -0.42 5.44 1.81 -1.26 -4.98 118.95 122.70 1x4i s ARG 62 Ca -0.09 -2.76 0.04 0.00 -1.72 0.00 0.00 55.73 51.20 1x4i s ARG 62 Cb -0.05 -2.47 0.11 0.00 -0.45 0.00 0.00 34.95 32.10 1x4i s ARG 62 CO -0.17 -1.34 0.15 -1.01 -0.68 0.00 0.00 175.30 172.26 1x4i s HIS 63 N -0.73 3.51 -1.83 -0.53 3.76 -1.26 -4.80 115.29 113.41 1x4i s HIS 63 Ca 0.29 -3.06 -0.22 0.00 -0.15 0.00 0.00 55.06 51.92 1x4i s HIS 63 Cb -0.01 -2.90 0.21 0.00 1.11 0.00 0.00 32.58 30.99 1x4i s HIS 63 CO -0.18 -0.86 0.63 1.63 -0.85 0.00 0.00 174.74 175.11 1x4i n LYS 64 N 3.76 -1.37 -3.81 1.40 4.01 -1.26 -4.91 118.16 115.98 1x4i n LYS 64 Ca 0.04 0.20 -0.25 0.00 -0.51 0.00 0.00 58.31 57.79 1x4i n LYS 64 Cb 0.38 -4.78 -0.01 0.00 -0.51 0.00 0.00 35.03 30.11 1x4i n LYS 64 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1x4i s SER 65 N -3.31 4.69 -0.30 4.39 0.15 -1.26 -5.15 113.70 112.92 1x4i s SER 65 Ca 0.78 -1.17 -0.25 0.00 0.70 0.00 0.00 55.95 56.02 1x4i s SER 65 Cb -0.45 0.29 0.20 0.00 -1.71 0.00 0.00 66.02 64.35 1x4i s SER 65 CO 1.00 -1.06 1.48 -0.83 1.20 0.00 0.00 173.24 175.03 1x4i s GLY 66 N -4.28 0.43 0.05 9.45 0.00 -1.26 -5.11 107.32 106.60 1x4i s GLY 66 Ca 0.37 3.64 -0.31 0.00 0.00 0.00 0.00 44.72 48.43 1x4i s GLY 66 CO 0.23 1.99 1.41 2.56 0.00 0.00 0.00 173.10 179.29 1x4i s PRO 67 N 0.05 4.30 -0.90 2.90 0.04 -1.26 -4.96 135.00 135.16 1x4i s PRO 67 Ca 0.07 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 1x4i s PRO 67 Cb -0.05 -3.44 0.12 0.00 0.04 0.00 0.00 34.50 31.18 1x4i s PRO 67 CO -0.16 -0.52 1.11 -1.54 0.04 0.00 0.00 177.00 175.92 1x4i s SER 68 N 1.59 6.58 -0.17 6.66 1.04 -1.26 -4.82 113.70 123.33 1x4i s SER 68 Ca 0.65 -1.94 -0.25 0.00 0.48 0.00 0.00 55.95 54.88 1x4i s SER 68 Cb -0.34 -2.40 -0.23 0.00 0.10 0.00 0.00 66.02 63.15 1x4i s SER 68 CO 0.29 -1.10 0.51 0.28 0.98 0.00 0.00 173.24 174.20 1x4i h SER 69 N 8.91 0.02 0.00 7.02 0.02 -2.08 -3.58 113.55 123.85 1x4i h SER 69 Ca 0.12 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 1x4i h SER 69 Cb 1.03 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1x4i h SER 69 CO 1.12 1.25 0.00 0.61 -1.14 0.00 0.00 176.83 178.66