#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 4.51 -0.01 1.61 1.04 -1.26 -5.09 113.70 114.51 1x4i s SER 2 Ca 0.00 1.00 0.03 0.00 0.48 0.00 0.00 55.95 57.46 1x4i s SER 2 Cb 0.00 -1.62 -0.01 0.00 0.10 0.00 0.00 66.02 64.49 1x4i s SER 2 CO 0.00 -1.92 -0.11 -0.44 0.98 0.00 0.00 173.24 171.75 1x4i s SER 3 N -4.29 1.28 0.00 7.02 0.01 -1.26 -5.00 113.70 111.45 1x4i s SER 3 Ca 0.61 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1x4i s SER 3 Cb -0.12 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1x4i s SER 3 CO 0.51 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.90 1x4i n GLY 4 N 2.78 4.02 2.19 3.44 0.00 -1.26 -5.04 105.19 111.31 1x4i n GLY 4 Ca -0.14 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 5.57 -3.65 1.61 2.88 -1.26 -5.00 113.62 113.76 1x4i n SER 5 Ca 0.00 -3.76 -0.13 0.00 -1.33 0.00 0.00 58.87 53.65 1x4i n SER 5 Cb 0.00 -0.52 -0.06 0.00 -0.75 0.00 0.00 64.21 62.88 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 -3.13 -0.31 0.00 -3.46 0.01 -1.26 -5.17 113.70 100.38 1x4i s SER 6 Ca 0.53 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1x4i s SER 6 Cb 0.43 0.44 0.00 0.00 0.21 0.00 0.00 66.02 67.09 1x4i s SER 6 CO -0.02 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1x4i n GLY 7 N 0.48 1.40 1.30 3.44 0.00 -1.26 -4.37 105.19 106.18 1x4i n GLY 7 Ca -0.18 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.09 0.00 -0.93 1.61 4.02 0.52 -4.73 117.16 117.55 1x4i n TYR 8 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1x4i n TYR 8 Cb 0.00 0.16 0.07 0.00 -0.02 0.00 0.00 39.34 39.54 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 -1.21 0.00 -0.31 0.00 3.07 -1.94 0.50 117.51 117.62 1x4i h ILE 10 Ca -0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.97 1x4i h ILE 10 Cb 1.32 0.75 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1x4i h ILE 10 CO 0.26 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.36 1x4i n ASN 12 N 0.42 -1.62 -4.33 0.00 3.02 0.17 -4.99 115.26 107.95 1x4i n ASN 12 Ca 0.11 -0.93 -0.19 0.00 -0.03 0.00 0.00 54.58 53.53 1x4i n ASN 12 Cb 0.33 -3.53 -0.10 0.00 -0.61 0.00 0.00 39.78 35.87 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 -6.19 1.28 0.78 3.52 -1.52 -1.25 -4.52 119.66 111.75 1x4i s GLN 13 Ca 0.09 -1.49 -0.15 0.00 -1.95 0.00 0.00 55.36 51.86 1x4i s GLN 13 Cb -0.03 -1.15 0.03 0.00 -0.22 0.00 0.00 33.01 31.64 1x4i s GLN 13 CO 0.85 0.21 0.92 1.33 -0.25 0.00 0.00 175.29 178.34 1x4i n VAL 14 N -0.08 1.98 -2.61 1.09 0.24 -1.26 -0.35 118.33 117.33 1x4i n VAL 14 Ca -0.10 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.34 61.49 1x4i n VAL 14 Cb 0.59 -1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 31.91 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 -1.84 6.43 0.40 -1.34 1.04 -1.26 -4.79 113.70 112.34 1x4i s SER 15 Ca 0.70 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.88 1x4i s SER 15 Cb -0.31 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.24 1x4i s SER 15 CO 0.54 -1.53 0.10 -0.72 0.98 0.00 0.00 173.24 172.61 1x4i s TYR 16 N 4.85 1.84 0.00 5.02 1.13 -1.26 -5.09 117.35 123.84 1x4i s TYR 16 Ca 0.41 -1.17 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 1x4i s TYR 16 Cb -0.03 -1.24 0.00 0.00 -1.10 0.00 0.00 41.96 39.59 1x4i s TYR 16 CO -0.04 -0.17 0.00 0.41 -2.51 0.00 0.00 175.55 173.25 1x4i n GLY 17 N -0.90 -0.11 3.61 5.49 0.00 -1.26 -4.39 105.19 107.62 1x4i n GLY 17 Ca -0.07 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 3.69 -0.01 1.61 2.02 -1.26 -5.00 118.70 119.75 1x4i s GLU 18 Ca 0.00 1.18 0.05 0.00 0.02 0.00 0.00 54.97 56.22 1x4i s GLU 18 Cb 0.00 -4.00 -0.03 0.00 0.10 0.00 0.00 34.13 30.21 1x4i s GLU 18 CO 0.00 -1.41 -0.17 -1.64 0.02 0.00 0.00 175.26 172.05 1x4i s MET 19 N 4.72 2.30 -0.41 1.61 -1.94 -1.26 -3.46 119.30 120.87 1x4i s MET 19 Ca 0.63 -0.83 -0.10 0.00 -1.71 0.00 0.00 55.69 53.68 1x4i s MET 19 Cb -0.17 -2.26 0.06 0.00 2.01 0.00 0.00 34.83 34.47 1x4i s MET 19 CO 0.29 0.59 0.25 0.54 -0.01 0.00 0.00 175.02 176.67 1x4i s VAL 20 N -0.78 4.37 0.17 -6.03 0.11 -0.38 -4.88 120.40 112.98 1x4i s VAL 20 Ca 0.12 -1.21 -0.32 0.00 -2.93 0.00 0.00 61.98 57.65 1x4i s VAL 20 Cb -0.10 -3.59 -0.11 0.00 -1.53 0.00 0.00 36.38 31.04 1x4i s VAL 20 CO 0.02 -0.42 1.67 -0.83 -3.33 0.00 0.00 175.10 172.21 1x4i s GLY 21 N 1.95 1.38 -0.11 6.54 0.00 -1.26 -3.09 107.32 112.73 1x4i s GLY 21 Ca 0.02 1.46 -0.29 0.00 0.00 0.00 0.00 44.72 45.92 1x4i s GLY 21 CO 0.04 2.81 1.80 0.00 0.00 0.00 0.00 173.10 177.75 1x4i h ASP 23 N 11.04 0.33 -2.19 0.00 3.58 -1.90 -3.33 116.42 123.95 1x4i h ASP 23 Ca -0.40 0.25 -0.52 0.00 0.42 0.00 0.00 57.03 56.78 1x4i h ASP 23 Cb 1.19 0.25 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 1x4i h ASP 23 CO 0.97 -0.40 1.29 0.21 -2.88 0.00 0.00 179.24 178.43 1x4i s ASN 24 N -4.54 5.52 0.67 2.28 2.47 -1.26 -4.82 114.94 115.25 1x4i s ASN 24 Ca -0.09 0.37 0.44 0.00 0.42 0.00 0.00 52.86 54.00 1x4i s ASN 24 Cb 0.33 -2.53 2.41 0.00 -1.45 0.00 0.00 41.25 40.01 1x4i s ASN 24 CO 0.78 -2.18 2.36 1.56 -3.72 0.00 0.00 177.10 175.91 1x4i h GLN 25 N 13.83 0.00 0.00 0.43 7.50 -2.00 0.11 115.11 134.98 1x4i h GLN 25 Ca -0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.88 1x4i h GLN 25 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.67 1x4i h GLN 25 CO 1.20 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 178.28 1x4i n ASP 26 N -3.06 0.00 -4.74 1.46 9.92 -1.26 -4.82 116.55 114.05 1x4i n ASP 26 Ca -0.03 0.09 -0.42 0.00 -0.53 0.00 0.00 54.79 53.91 1x4i n ASP 26 Cb 0.08 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.20 1x4i n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x4i n PRO 28 N 2.57 0.21 -0.05 0.00 -0.04 -1.26 -3.79 135.00 132.64 1x4i n PRO 28 Ca 0.09 0.44 -0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1x4i n PRO 28 Cb 0.39 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.92 1x4i n PRO 28 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1x4i n ILE 29 N -2.28 0.52 -1.98 0.52 5.41 -1.26 -5.00 119.36 115.28 1x4i n ILE 29 Ca 0.02 -0.14 -0.19 0.00 1.00 0.00 0.00 62.75 63.44 1x4i n ILE 29 Cb 0.23 -1.54 -0.04 0.00 -0.71 0.00 0.00 39.64 37.57 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 -3.35 -1.62 -3.63 0.38 1.02 -1.25 -4.92 120.64 107.28 1x4i n GLU 30 Ca -0.18 1.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.93 1x4i n GLU 30 Cb 0.64 -5.51 -0.06 0.00 -0.02 0.00 0.00 31.44 26.48 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 -2.77 -0.89 -0.05 -0.32 0.52 -1.26 -3.44 118.94 110.74 1x4i s TRP 31 Ca 0.00 1.72 -0.06 0.00 0.02 0.00 0.00 56.10 57.79 1x4i s TRP 31 Cb 0.00 0.53 0.01 0.00 -1.15 0.00 0.00 33.47 32.86 1x4i s TRP 31 CO 0.00 -0.44 0.15 -0.06 0.02 0.00 0.00 176.95 176.62 1x4i s PHE 32 N 1.72 -0.13 0.54 -1.98 0.40 -1.18 -3.80 117.98 113.55 1x4i s PHE 32 Ca -0.09 0.31 -0.19 0.00 -0.60 0.00 0.00 56.93 56.36 1x4i s PHE 32 Cb -0.05 0.04 -0.06 0.00 0.51 0.00 0.00 43.02 43.45 1x4i s PHE 32 CO -0.18 -0.12 1.12 -1.01 0.70 0.00 0.00 175.22 175.73 1x4i s HIS 33 N -0.19 2.71 0.31 0.36 3.76 -1.26 -1.25 115.29 119.73 1x4i s HIS 33 Ca -0.03 1.55 0.07 0.00 -0.15 0.00 0.00 55.06 56.50 1x4i s HIS 33 Cb -0.02 -3.26 0.52 0.00 1.11 0.00 0.00 32.58 30.93 1x4i s HIS 33 CO 0.00 -1.48 1.74 1.88 -0.85 0.00 0.00 174.74 176.04 1x4i h TYR 34 N 1.23 0.27 0.00 1.40 -1.99 -1.86 -2.05 116.97 113.96 1x4i h TYR 34 Ca -0.50 -0.06 -0.19 0.00 2.00 0.00 0.00 58.73 59.98 1x4i h TYR 34 Cb 1.26 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.90 1x4i h TYR 34 CO 0.52 0.57 -0.92 0.78 -0.00 0.00 0.00 178.16 179.11 1x4i h GLY 35 N 1.13 0.00 1.67 3.88 0.00 -1.90 0.66 103.07 108.51 1x4i h GLY 35 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 1x4i h GLY 35 CO 0.06 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 175.72 1x4i n VAL 37 N -3.72 0.50 -0.93 0.00 0.24 -0.79 -5.01 118.33 108.63 1x4i n VAL 37 Ca -0.05 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1x4i n VAL 37 Cb 0.80 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 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 1.33 -0.03 2.75 7.63 0.00 0.74 -5.07 105.19 112.53 1x4i n GLY 38 Ca -0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.90 0.02 0.23 0.99 1.43 0.19 -5.00 118.68 115.65 1x4i s LEU 39 Ca 0.00 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1x4i s LEU 39 Cb 0.00 0.17 0.25 0.00 0.03 0.00 0.00 46.19 46.64 1x4i s LEU 39 CO 0.00 -0.30 1.58 0.71 0.23 0.00 0.00 176.35 178.57 1x4i h THR 40 N 6.37 1.34 -3.93 5.49 1.35 -2.00 -3.43 112.91 118.10 1x4i h THR 40 Ca -0.15 -1.79 -0.26 0.00 -0.55 0.00 0.00 66.41 63.66 1x4i h THR 40 Cb 1.14 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.32 1x4i h THR 40 CO 0.22 0.54 -0.12 -1.84 -0.25 0.00 0.00 175.52 174.07 1x4i n GLU 41 N -3.94 0.73 -1.96 4.72 0.28 -1.26 -5.13 120.64 114.07 1x4i n GLU 41 Ca -0.02 -2.74 -0.42 0.00 -0.16 0.00 0.00 57.16 53.82 1x4i n GLU 41 Cb 0.57 2.68 -0.03 0.00 1.43 0.00 0.00 31.44 36.09 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 -2.72 3.73 -0.22 -1.84 0.00 -1.26 -4.93 121.76 114.51 1x4i s ALA 42 Ca 0.28 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1x4i s ALA 42 Cb -0.01 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1x4i s ALA 42 CO 0.20 -0.85 1.61 -1.25 0.00 0.00 0.00 175.76 175.47 1x4i s PRO 43 N 1.55 3.80 0.11 0.00 0.04 -1.26 -4.92 135.00 134.32 1x4i s PRO 43 Ca 0.70 1.65 -0.34 0.00 0.04 0.00 0.00 61.00 63.06 1x4i s PRO 43 Cb -0.42 -4.03 -0.13 0.00 0.04 0.00 0.00 34.50 29.96 1x4i s PRO 43 CO 0.31 -1.29 1.54 0.87 0.04 0.00 0.00 177.00 178.48 1x4i h LYS 44 N 10.70 -0.59 0.00 4.56 6.56 -2.06 -3.43 116.57 132.31 1x4i h LYS 44 Ca -0.33 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 1x4i h LYS 44 Cb 1.15 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1x4i h LYS 44 CO 1.00 -0.39 0.00 0.41 -2.06 0.00 0.00 179.45 178.41 1x4i n GLY 45 N -1.44 -0.83 3.77 3.86 0.00 -1.26 -5.01 105.19 104.28 1x4i n GLY 45 Ca -0.07 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 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 4.40 -0.02 1.61 -0.14 -1.26 -5.07 119.74 119.25 1x4i s LYS 46 Ca 0.00 0.92 0.07 0.00 -1.36 0.00 0.00 55.97 55.59 1x4i s LYS 46 Cb 0.00 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.81 1x4i s LYS 46 CO 0.00 0.41 -0.22 -0.46 -0.76 0.00 0.00 175.35 174.33 1x4i s TRP 47 N -0.44 2.47 -0.08 3.18 -0.00 -1.26 -5.11 118.94 117.70 1x4i s TRP 47 Ca 0.34 -0.33 0.00 0.00 -0.00 0.00 0.00 56.10 56.11 1x4i s TRP 47 Cb -0.20 -1.54 0.02 0.00 -0.00 0.00 0.00 33.47 31.76 1x4i s TRP 47 CO 0.21 0.06 -0.05 0.71 -0.00 0.00 0.00 176.95 177.88 1x4i s TYR 48 N -0.68 1.05 0.80 5.86 1.51 -1.26 -3.20 117.35 121.43 1x4i s TYR 48 Ca 0.11 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 1x4i s TYR 48 Cb -0.10 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.76 1x4i s TYR 48 CO 0.00 -0.34 0.16 0.00 -1.11 0.00 0.00 175.55 174.26 1x4i n PRO 50 N -0.03 0.04 0.05 0.00 -0.04 -1.26 -2.43 135.00 131.33 1x4i n PRO 50 Ca 0.07 0.28 -0.08 0.00 -0.04 0.00 0.00 63.50 63.73 1x4i n PRO 50 Cb 0.52 -1.57 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.03 0.00 0.54 4.20 -2.00 -3.25 115.11 114.63 1x4i h GLN 51 Ca 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1x4i h GLN 51 Cb 0.27 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1x4i h GLN 51 CO 0.00 0.96 -0.51 0.00 -0.67 0.00 0.00 178.83 178.61 1x4i h THR 53 N -1.00 0.23 -0.10 0.00 2.02 -1.67 1.03 112.91 113.42 1x4i h THR 53 Ca -0.05 -0.01 -0.23 0.00 0.77 0.00 0.00 66.41 66.89 1x4i h THR 53 Cb 0.55 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1x4i h THR 53 CO -0.03 0.01 -0.84 0.00 0.37 0.00 0.00 175.52 175.02 1x4i h ALA 54 N 1.30 0.32 -0.02 6.16 0.00 -1.71 -2.33 119.26 122.97 1x4i h ALA 54 Ca 0.74 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 1x4i h ALA 54 Cb 2.82 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 20.61 1x4i h ALA 54 CO -0.09 0.71 -0.47 0.00 0.00 0.00 0.00 179.25 179.40 1x4i h ALA 55 N 0.59 0.09 -0.75 0.00 0.00 0.86 -2.92 119.26 117.14 1x4i h ALA 55 Ca -0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1x4i h ALA 55 Cb 1.47 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1x4i h ALA 55 CO 0.17 0.27 0.42 0.52 0.00 0.00 0.00 179.25 180.63 1x4i h MET 56 N -0.17 1.03 -0.16 0.00 2.86 -0.69 -2.75 114.93 115.04 1x4i h MET 56 Ca -0.05 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1x4i h MET 56 Cb 1.18 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1x4i h MET 56 CO 0.09 0.74 0.06 0.87 1.06 0.00 0.00 176.91 179.73 1x4i h LYS 57 N 1.04 0.25 -0.40 1.72 1.57 -1.47 -1.67 116.57 117.61 1x4i h LYS 57 Ca 0.27 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1x4i h LYS 57 Cb 0.01 -0.04 -0.09 0.00 0.08 0.00 0.00 32.23 32.19 1x4i h LYS 57 CO -0.05 0.35 -0.38 0.00 -0.57 0.00 0.00 179.45 178.81 1x4i h ARG 58 N 0.09 -0.28 -0.20 3.15 3.08 -1.28 0.11 114.38 119.04 1x4i h ARG 58 Ca 0.05 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1x4i h ARG 58 Cb 0.21 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1x4i h ARG 58 CO -0.00 -0.19 -0.04 0.07 -1.07 0.00 0.00 179.97 178.74 1x4i h ARG 59 N -0.30 0.30 0.00 0.04 0.11 -1.49 -3.39 114.38 109.66 1x4i h ARG 59 Ca 0.16 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.18 1x4i h ARG 59 Cb 0.57 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.60 1x4i h ARG 59 CO -0.56 0.36 0.00 0.41 0.10 0.00 0.00 179.97 180.29 1x4i n GLY 60 N -1.03 -2.26 3.27 0.08 0.00 0.38 -5.03 105.19 100.59 1x4i n GLY 60 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -0.41 -0.08 1.61 0.15 -1.15 -5.07 113.70 106.75 1x4i s SER 61 Ca 0.00 0.46 -0.15 0.00 0.70 0.00 0.00 55.95 56.95 1x4i s SER 61 Cb 0.00 1.42 -0.12 0.00 -1.71 0.00 0.00 66.02 65.61 1x4i s SER 61 CO 0.00 -0.08 0.55 0.03 1.20 0.00 0.00 173.24 174.95 1x4i h ARG 62 N 7.53 -0.14 -4.36 5.44 3.08 -1.88 -3.48 114.38 120.57 1x4i h ARG 62 Ca -0.14 0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.65 1x4i h ARG 62 Cb 1.14 0.03 0.10 0.00 0.08 0.00 0.00 29.97 31.32 1x4i h ARG 62 CO 0.02 0.24 -0.48 1.58 -1.07 0.00 0.00 179.97 180.27 1x4i n HIS 63 N -4.84 -1.90 -2.70 3.04 -0.00 -1.26 -5.02 115.22 102.54 1x4i n HIS 63 Ca -0.06 0.69 -0.26 0.00 -0.00 0.00 0.00 57.72 58.09 1x4i n HIS 63 Cb 0.22 -3.84 0.01 0.00 -0.00 0.00 0.00 29.99 26.38 1x4i n HIS 63 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1x4i s LYS 64 N -5.73 3.26 -0.03 1.57 -2.85 -1.26 -4.97 119.74 109.73 1x4i s LYS 64 Ca 0.33 -0.05 -0.36 0.00 -1.00 0.00 0.00 55.97 54.89 1x4i s LYS 64 Cb -0.15 -2.41 -0.18 0.00 -2.06 0.00 0.00 37.83 33.04 1x4i s LYS 64 CO 0.50 -0.33 0.99 0.45 0.10 0.00 0.00 175.35 177.06 1x4i n SER 65 N -2.28 0.07 0.00 0.03 2.88 -1.26 -4.93 113.62 108.13 1x4i n SER 65 Ca 0.01 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1x4i n SER 65 Cb 0.56 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 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 1.50 1.58 3.56 0.46 0.00 -1.26 -4.99 105.19 106.03 1x4i n GLY 66 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1x4i n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4i s PRO 67 N 2.97 2.56 0.19 1.61 0.04 -1.26 -4.85 135.00 136.26 1x4i s PRO 67 Ca 0.00 -0.11 -0.19 0.00 0.04 0.00 0.00 61.00 60.74 1x4i s PRO 67 Cb 0.00 -4.93 0.14 0.00 0.04 0.00 0.00 34.50 29.76 1x4i s PRO 67 CO 0.00 -3.26 1.60 1.03 0.04 0.00 0.00 177.00 176.41 1x4i h SER 68 N 12.03 -0.94 -3.36 6.66 0.87 -2.02 -3.37 113.55 123.42 1x4i h SER 68 Ca 0.03 0.20 -0.64 0.00 -1.23 0.00 0.00 61.79 60.15 1x4i h SER 68 Cb 1.04 0.49 -0.22 0.00 -0.44 0.00 0.00 62.40 63.26 1x4i h SER 68 CO 1.21 -0.28 -0.67 -0.94 -0.53 0.00 0.00 176.83 175.63 1x4i s SER 69 N -5.16 4.79 0.00 6.23 1.04 -1.26 -5.28 113.70 114.06 1x4i s SER 69 Ca -0.14 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1x4i s SER 69 Cb 0.16 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1x4i s SER 69 CO 0.70 0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.65