#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 4.20 1.03 1.61 1.04 -1.26 -5.11 113.70 115.21 1x4i s SER 2 Ca 0.00 -1.03 -0.18 0.00 0.48 0.00 0.00 55.95 55.21 1x4i s SER 2 Cb 0.00 -0.52 -0.00 0.00 0.10 0.00 0.00 66.02 65.60 1x4i s SER 2 CO 0.00 -0.31 -0.24 -1.54 0.98 0.00 0.00 173.24 172.13 1x4i n SER 3 N -1.00 -2.91 0.00 7.02 3.41 -1.26 -5.02 113.62 113.87 1x4i n SER 3 Ca -0.04 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1x4i n SER 3 Cb 0.63 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1x4i n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4i n GLY 4 N 2.31 0.40 3.39 5.00 0.00 -1.26 -5.02 105.19 110.01 1x4i n GLY 4 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1x4i n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4i s SER 5 N -1.00 4.10 -0.11 1.61 1.04 -1.26 -5.11 113.70 112.97 1x4i s SER 5 Ca 0.00 -0.29 -0.10 0.00 0.48 0.00 0.00 55.95 56.04 1x4i s SER 5 Cb 0.00 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.57 1x4i s SER 5 CO 0.00 0.18 0.30 -0.94 0.98 0.00 0.00 173.24 173.76 1x4i s SER 6 N 0.27 -0.32 0.00 7.02 1.04 -1.26 -5.15 113.70 115.30 1x4i s SER 6 Ca -0.09 0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.95 1x4i s SER 6 Cb -0.15 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1x4i s SER 6 CO 0.05 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1x4i n GLY 7 N 3.07 1.00 0.98 7.32 0.00 -1.26 -4.30 105.19 112.00 1x4i n GLY 7 Ca -0.14 0.29 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 1x4i n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x4i n TYR 8 N -0.00 0.00 -0.87 1.61 4.02 0.37 -4.71 117.16 117.58 1x4i n TYR 8 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.54 1x4i n TYR 8 Cb 0.00 -0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.41 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 -1.38 0.26 -0.16 0.00 3.07 -1.94 0.59 117.51 117.96 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 1.32 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1x4i h ILE 10 CO 0.29 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.39 1x4i n ASN 12 N 0.00 -1.59 -4.35 0.00 3.02 0.21 -4.98 115.26 107.57 1x4i n ASN 12 Ca 0.06 -0.97 -0.19 0.00 -0.03 0.00 0.00 54.58 53.45 1x4i n ASN 12 Cb 0.17 -3.32 -0.10 0.00 -0.61 0.00 0.00 39.78 35.92 1x4i n ASN 12 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1x4i s GLN 13 N -6.31 1.34 0.79 3.52 -1.52 -1.25 -4.48 119.66 111.73 1x4i s GLN 13 Ca 0.11 -1.59 -0.15 0.00 -1.95 0.00 0.00 55.36 51.78 1x4i s GLN 13 Cb -0.04 -1.13 0.03 0.00 -0.22 0.00 0.00 33.01 31.65 1x4i s GLN 13 CO 0.87 0.19 0.88 1.33 -0.25 0.00 0.00 175.29 178.30 1x4i n VAL 14 N -0.38 1.90 -2.64 1.09 0.24 -1.26 -0.48 118.33 116.80 1x4i n VAL 14 Ca -0.08 -0.29 -0.42 0.00 -2.04 0.00 0.00 64.34 61.51 1x4i n VAL 14 Cb 0.60 -0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 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 -1.83 6.47 0.39 -1.34 0.01 -1.26 -4.78 113.70 111.35 1x4i s SER 15 Ca 0.69 -1.41 0.03 0.00 1.31 0.00 0.00 55.95 56.57 1x4i s SER 15 Cb -0.31 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.35 1x4i s SER 15 CO 0.55 -1.47 0.09 -0.72 0.41 0.00 0.00 173.24 172.10 1x4i s TYR 16 N 4.62 1.87 0.00 2.43 1.13 -1.26 -5.08 117.35 121.06 1x4i s TYR 16 Ca 0.41 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.96 1x4i s TYR 16 Cb -0.03 -1.27 0.00 0.00 -1.10 0.00 0.00 41.96 39.56 1x4i s TYR 16 CO -0.06 -0.11 0.00 0.41 -2.51 0.00 0.00 175.55 173.28 1x4i n GLY 17 N -0.88 0.75 3.62 5.49 0.00 -1.26 -4.42 105.19 108.50 1x4i n GLY 17 Ca -0.06 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 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 3.91 -0.06 1.61 2.02 -1.26 -5.02 118.70 119.90 1x4i s GLU 18 Ca 0.00 0.88 0.04 0.00 0.02 0.00 0.00 54.97 55.91 1x4i s GLU 18 Cb 0.00 -3.82 -0.02 0.00 0.10 0.00 0.00 34.13 30.39 1x4i s GLU 18 CO 0.00 -1.12 -0.18 -1.64 0.02 0.00 0.00 175.26 172.33 1x4i s MET 19 N 4.04 2.64 -0.42 1.61 -1.94 -1.26 -3.25 119.30 120.71 1x4i s MET 19 Ca 0.47 -0.78 -0.15 0.00 -1.71 0.00 0.00 55.69 53.52 1x4i s MET 19 Cb -0.10 -2.33 0.03 0.00 2.01 0.00 0.00 34.83 34.44 1x4i s MET 19 CO 0.23 0.47 0.33 0.54 -0.01 0.00 0.00 175.02 176.57 1x4i s VAL 20 N -0.35 5.25 0.01 -6.03 0.11 -0.21 -4.85 120.40 114.33 1x4i s VAL 20 Ca 0.03 -0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 1x4i s VAL 20 Cb -0.12 -3.98 -0.07 0.00 -1.53 0.00 0.00 36.38 30.68 1x4i s VAL 20 CO 0.02 -0.37 1.74 -0.83 -3.33 0.00 0.00 175.10 172.32 1x4i s GLY 21 N 1.89 1.52 0.01 6.54 0.00 -1.26 -3.01 107.32 113.01 1x4i s GLY 21 Ca 0.05 1.12 -0.32 0.00 0.00 0.00 0.00 44.72 45.57 1x4i s GLY 21 CO 0.09 3.11 1.89 0.00 0.00 0.00 0.00 173.10 178.19 1x4i h ASP 23 N 9.34 0.36 -2.37 0.00 3.58 -1.91 -3.34 116.42 122.08 1x4i h ASP 23 Ca -0.48 0.08 -0.53 0.00 0.42 0.00 0.00 57.03 56.51 1x4i h ASP 23 Cb 1.25 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 42.26 1x4i h ASP 23 CO 0.94 0.04 1.13 0.21 -2.88 0.00 0.00 179.24 178.68 1x4i s ASN 24 N -5.17 5.97 0.64 2.28 2.47 -1.26 -4.84 114.94 115.03 1x4i s ASN 24 Ca -0.08 -0.14 0.38 0.00 0.42 0.00 0.00 52.86 53.43 1x4i s ASN 24 Cb 0.25 -2.55 2.10 0.00 -1.45 0.00 0.00 41.25 39.60 1x4i s ASN 24 CO 0.80 -1.93 2.25 1.56 -3.72 0.00 0.00 177.10 176.06 1x4i h GLN 25 N 11.27 0.00 0.00 0.43 4.20 -2.00 0.11 115.11 129.13 1x4i h GLN 25 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1x4i h GLN 25 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 1x4i h GLN 25 CO 1.25 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 179.16 1x4i n ASP 26 N -3.30 0.00 -4.74 1.46 9.92 -1.26 -4.77 116.55 113.86 1x4i n ASP 26 Ca -0.02 0.24 -0.41 0.00 -0.53 0.00 0.00 54.79 54.07 1x4i n ASP 26 Cb 0.16 -0.37 -0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1x4i n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x4i h PRO 28 N 5.23 0.00 0.00 0.00 0.13 -1.89 -3.32 132.00 132.15 1x4i h PRO 28 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 1x4i h PRO 28 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1x4i h PRO 28 CO 0.79 0.00 -1.58 -0.89 -0.23 0.00 0.00 178.00 176.09 1x4i n ILE 29 N -2.70 0.99 -1.96 -3.56 5.41 -1.26 -5.00 119.36 111.27 1x4i n ILE 29 Ca 0.01 -0.11 -0.19 0.00 1.00 0.00 0.00 62.75 63.46 1x4i n ILE 29 Cb 0.26 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.36 1x4i n ILE 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x4i n GLU 30 N -3.79 -1.45 -3.63 0.38 1.02 -1.25 -4.94 120.64 106.98 1x4i n GLU 30 Ca -0.26 1.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.90 1x4i n GLU 30 Cb 0.62 -5.51 -0.06 0.00 -0.02 0.00 0.00 31.44 26.46 1x4i n GLU 30 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1x4i s TRP 31 N -2.84 -0.86 -0.07 -0.32 0.52 -1.26 -3.45 118.94 110.66 1x4i s TRP 31 Ca 0.00 1.69 -0.07 0.00 0.02 0.00 0.00 56.10 57.74 1x4i s TRP 31 Cb 0.00 0.51 0.02 0.00 -1.15 0.00 0.00 33.47 32.85 1x4i s TRP 31 CO 0.00 -0.43 0.20 -0.06 0.02 0.00 0.00 176.95 176.68 1x4i s PHE 32 N 1.63 -0.20 0.51 -1.98 0.40 -1.16 -3.83 117.98 113.35 1x4i s PHE 32 Ca -0.09 0.48 -0.21 0.00 -0.60 0.00 0.00 56.93 56.51 1x4i s PHE 32 Cb -0.05 0.07 -0.06 0.00 0.51 0.00 0.00 43.02 43.48 1x4i s PHE 32 CO -0.18 -0.13 1.14 -1.01 0.70 0.00 0.00 175.22 175.74 1x4i s HIS 33 N -0.06 2.75 0.31 0.36 3.76 -1.26 -1.04 115.29 120.12 1x4i s HIS 33 Ca -0.02 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.48 1x4i s HIS 33 Cb -0.02 -3.32 0.52 0.00 1.11 0.00 0.00 32.58 30.87 1x4i s HIS 33 CO 0.00 -1.53 1.79 1.88 -0.85 0.00 0.00 174.74 176.04 1x4i h TYR 34 N 1.52 0.48 0.00 1.40 -1.99 -1.86 -1.66 116.97 114.86 1x4i h TYR 34 Ca -0.50 -0.08 -0.19 0.00 2.00 0.00 0.00 58.73 59.96 1x4i h TYR 34 Cb 1.26 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 1x4i h TYR 34 CO 0.52 0.59 -0.91 0.78 -0.00 0.00 0.00 178.16 179.14 1x4i h GLY 35 N 0.94 0.00 1.58 3.88 0.00 -1.89 0.64 103.07 108.22 1x4i h GLY 35 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 1x4i h GLY 35 CO 0.03 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 175.72 1x4i n VAL 37 N -3.77 0.87 -0.77 0.00 0.24 -0.65 -5.00 118.33 109.24 1x4i n VAL 37 Ca -0.05 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 1x4i n VAL 37 Cb 0.78 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.71 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 1.42 0.13 2.73 7.63 0.00 0.13 -5.05 105.19 112.17 1x4i n GLY 38 Ca -0.12 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.79 0.07 0.10 0.99 1.43 0.18 -5.00 118.68 115.66 1x4i s LEU 39 Ca 0.00 0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 1x4i s LEU 39 Cb 0.00 0.03 -0.16 0.00 0.03 0.00 0.00 46.19 46.09 1x4i s LEU 39 CO 0.00 -0.27 1.26 0.71 0.23 0.00 0.00 176.35 178.29 1x4i h THR 40 N 6.40 1.31 -4.63 5.49 1.35 -2.00 -3.43 112.91 117.41 1x4i h THR 40 Ca -0.13 -2.22 -0.36 0.00 -0.55 0.00 0.00 66.41 63.15 1x4i h THR 40 Cb 1.12 2.28 -0.12 0.00 -1.73 0.00 0.00 68.15 69.70 1x4i h THR 40 CO 0.17 0.68 -0.45 -1.83 -0.25 0.00 0.00 175.52 173.85 1x4i s GLU 41 N -3.43 1.64 0.13 4.72 1.03 -1.26 -5.12 118.70 116.41 1x4i s GLU 41 Ca -0.09 -1.84 -0.31 0.00 0.03 0.00 0.00 54.97 52.76 1x4i s GLU 41 Cb 0.08 0.34 -0.09 0.00 -0.80 0.00 0.00 34.13 33.66 1x4i s GLU 41 CO 0.90 -0.61 1.61 0.00 -1.33 0.00 0.00 175.26 175.83 1x4i s ALA 42 N -3.57 3.74 -0.77 -0.84 0.00 -1.26 -4.90 121.76 114.16 1x4i s ALA 42 Ca 0.38 1.31 -0.25 0.00 0.00 0.00 0.00 51.96 53.39 1x4i s ALA 42 Cb 0.03 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1x4i s ALA 42 CO 0.22 -0.92 1.91 -1.25 0.00 0.00 0.00 175.76 175.72 1x4i s PRO 43 N 1.76 2.58 0.27 0.00 0.04 -1.26 -4.85 135.00 133.54 1x4i s PRO 43 Ca 0.72 0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.79 1x4i s PRO 43 Cb -0.42 -4.76 0.45 0.00 0.04 0.00 0.00 34.50 29.80 1x4i s PRO 43 CO 0.32 -3.10 1.57 0.87 0.04 0.00 0.00 177.00 176.70 1x4i h LYS 44 N 12.94 0.00 0.00 4.56 1.57 -2.06 -3.40 116.57 130.18 1x4i h LYS 44 Ca -0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1x4i h LYS 44 Cb 1.07 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1x4i h LYS 44 CO 1.21 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.51 1x4i n GLY 45 N -1.58 -0.11 3.62 3.86 0.00 -1.26 -5.01 105.19 104.70 1x4i n GLY 45 Ca 0.15 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 3.96 0.12 1.61 -0.14 -1.26 -5.10 119.74 118.93 1x4i s LYS 46 Ca 0.00 -0.34 0.07 0.00 -1.36 0.00 0.00 55.97 54.33 1x4i s LYS 46 Cb 0.00 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1x4i s LYS 46 CO 0.00 0.17 -0.04 -0.46 -0.76 0.00 0.00 175.35 174.26 1x4i s TRP 47 N 0.68 2.84 -0.08 3.18 -0.00 -1.26 -5.12 118.94 119.19 1x4i s TRP 47 Ca 0.04 -0.11 -0.03 0.00 -0.00 0.00 0.00 56.10 56.00 1x4i s TRP 47 Cb -0.13 -1.44 0.04 0.00 -0.00 0.00 0.00 33.47 31.94 1x4i s TRP 47 CO 0.02 0.47 0.15 0.71 -0.00 0.00 0.00 176.95 178.29 1x4i s TYR 48 N -1.41 -0.15 0.82 5.86 2.02 -1.26 -3.54 117.35 119.70 1x4i s TYR 48 Ca 0.25 0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 57.34 1x4i s TYR 48 Cb -0.11 -0.27 -0.06 0.00 -0.40 0.00 0.00 41.96 41.12 1x4i s TYR 48 CO 0.17 -0.25 0.05 0.00 -1.57 0.00 0.00 175.55 173.95 1x4i n PRO 50 N 0.19 0.05 0.06 0.00 -0.04 -1.26 -2.46 135.00 131.54 1x4i n PRO 50 Ca 0.06 0.30 -0.09 0.00 -0.04 0.00 0.00 63.50 63.73 1x4i n PRO 50 Cb 0.52 -1.59 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 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 0.05 0.00 0.54 4.20 -2.00 -3.22 115.11 114.68 1x4i h GLN 51 Ca 0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1x4i h GLN 51 Cb 0.27 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1x4i h GLN 51 CO 0.00 0.99 -0.51 0.00 -0.67 0.00 0.00 178.83 178.64 1x4i h THR 53 N -1.00 0.31 -0.30 0.00 2.02 -1.67 0.98 112.91 113.25 1x4i h THR 53 Ca -0.07 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 1x4i h THR 53 Cb 0.60 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1x4i h THR 53 CO -0.04 0.05 -0.30 0.00 0.37 0.00 0.00 175.52 175.59 1x4i h ALA 54 N 1.67 0.93 0.03 6.16 0.00 -1.71 -1.21 119.26 125.12 1x4i h ALA 54 Ca 0.72 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 1x4i h ALA 54 Cb 1.98 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.65 1x4i h ALA 54 CO -0.42 0.62 -0.60 0.00 0.00 0.00 0.00 179.25 178.85 1x4i h ALA 55 N 1.15 0.03 -0.75 0.00 0.00 0.74 -2.97 119.26 117.45 1x4i h ALA 55 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1x4i h ALA 55 Cb 0.78 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1x4i h ALA 55 CO 0.06 0.32 0.35 0.52 0.00 0.00 0.00 179.25 180.50 1x4i h MET 56 N -0.23 1.09 0.42 0.00 2.86 -0.57 -2.97 114.93 115.52 1x4i h MET 56 Ca -0.08 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1x4i h MET 56 Cb 1.35 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1x4i h MET 56 CO 0.12 0.85 -0.20 0.87 1.06 0.00 0.00 176.91 179.60 1x4i h LYS 57 N 1.08 -0.55 -0.60 1.72 1.57 -1.29 0.31 116.57 118.80 1x4i h LYS 57 Ca 0.26 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 1x4i h LYS 57 Cb 0.13 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1x4i h LYS 57 CO -0.03 -0.31 -0.54 0.00 -0.57 0.00 0.00 179.45 178.01 1x4i h ARG 58 N -0.67 -0.25 -0.13 3.15 3.08 -1.41 0.15 114.38 118.30 1x4i h ARG 58 Ca -0.06 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1x4i h ARG 58 Cb 0.49 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1x4i h ARG 58 CO 0.10 -0.16 -0.28 0.07 -1.07 0.00 0.00 179.97 178.62 1x4i h ARG 59 N -0.26 0.25 -3.46 0.04 0.11 -1.52 -3.31 114.38 106.24 1x4i h ARG 59 Ca 0.12 -0.09 -0.76 0.00 0.10 0.00 0.00 59.98 59.35 1x4i h ARG 59 Cb 0.54 -0.02 -0.17 0.00 1.11 0.00 0.00 29.97 31.44 1x4i h ARG 59 CO -0.71 0.51 1.90 0.41 0.10 0.00 0.00 179.97 182.18 1x4i n GLY 60 N -0.49 4.79 3.94 0.08 0.00 0.11 -4.99 105.19 108.63 1x4i n GLY 60 Ca -0.01 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.61 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 0.63 4.92 0.05 1.61 0.01 -1.21 -4.74 113.70 114.97 1x4i s SER 61 Ca 0.39 0.31 -0.27 0.00 1.31 0.00 0.00 55.95 57.69 1x4i s SER 61 Cb 0.09 -1.02 -0.14 0.00 0.21 0.00 0.00 66.02 65.16 1x4i s SER 61 CO 0.01 -1.49 0.68 -1.14 0.41 0.00 0.00 173.24 171.72 1x4i n ARG 62 N -2.77 0.00 -0.95 12.44 3.00 -1.26 -4.72 116.66 122.40 1x4i n ARG 62 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.82 1x4i n ARG 62 Cb 0.60 -1.02 -0.14 0.00 0.00 0.00 0.00 32.46 31.90 1x4i n ARG 62 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1x4i n HIS 63 N 0.79 0.07 -3.74 -0.14 -0.00 -1.26 -4.72 115.22 106.22 1x4i n HIS 63 Ca 0.15 -1.46 -0.35 0.00 -0.00 0.00 0.00 57.72 56.06 1x4i n HIS 63 Cb 0.10 -1.45 -0.10 0.00 -0.00 0.00 0.00 29.99 28.55 1x4i n HIS 63 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1x4i s LYS 64 N 0.75 2.65 -0.15 1.57 -0.14 -1.26 -4.85 119.74 118.31 1x4i s LYS 64 Ca 0.58 -2.77 -0.10 0.00 -1.36 0.00 0.00 55.97 52.33 1x4i s LYS 64 Cb 0.28 -3.71 -0.06 0.00 -1.68 0.00 0.00 37.83 32.65 1x4i s LYS 64 CO -0.01 -1.20 -0.23 0.45 -0.76 0.00 0.00 175.35 173.61 1x4i n SER 65 N 3.08 1.37 0.00 2.83 2.88 -1.26 -5.15 113.62 117.37 1x4i n SER 65 Ca 0.11 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1x4i n SER 65 Cb 0.37 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1x4i n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4i n GLY 66 N 1.99 -0.17 0.00 0.46 0.00 -1.26 -4.89 105.19 101.33 1x4i n GLY 66 Ca -0.27 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.08 1x4i n GLY 66 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4i n PRO 67 N 0.00 0.06 -3.83 1.61 -0.04 -1.26 -4.58 135.00 126.96 1x4i n PRO 67 Ca 0.00 0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 1x4i n PRO 67 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1x4i n PRO 67 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4i s SER 68 N -2.88 4.88 -0.14 3.54 1.04 -1.26 -5.09 113.70 113.79 1x4i s SER 68 Ca 0.09 -0.25 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1x4i s SER 68 Cb 0.09 -1.86 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 1x4i s SER 68 CO 0.25 -0.02 0.28 -0.55 0.98 0.00 0.00 173.24 174.18 1x4i s SER 69 N 1.50 6.46 0.00 7.02 0.15 -1.26 -4.75 113.70 122.82 1x4i s SER 69 Ca 0.06 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1x4i s SER 69 Cb -0.15 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 61.99 1x4i s SER 69 CO 0.02 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.23