#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 2.79 0.45 1.61 0.01 -1.26 -5.13 113.70 112.17 1x4i s SER 2 Ca 0.00 -0.53 0.06 0.00 1.31 0.00 0.00 55.95 56.80 1x4i s SER 2 Cb 0.00 -1.26 0.01 0.00 0.21 0.00 0.00 66.02 64.99 1x4i s SER 2 CO 0.00 -0.04 0.61 -0.94 0.41 0.00 0.00 173.24 173.29 1x4i s SER 3 N 1.40 5.59 0.00 2.44 1.04 -1.26 -4.65 113.70 118.26 1x4i s SER 3 Ca 0.04 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1x4i s SER 3 Cb -0.13 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.23 1x4i s SER 3 CO -0.11 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1x4i n GLY 4 N -1.96 3.18 3.66 7.32 0.00 -1.26 -5.05 105.19 111.08 1x4i n GLY 4 Ca 0.07 -0.94 -0.52 0.00 0.00 0.00 0.00 46.02 44.63 1x4i n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4i n SER 5 N 0.72 2.85 -4.72 1.61 7.64 -1.26 -4.95 113.62 115.50 1x4i n SER 5 Ca 0.00 0.92 -0.25 0.00 1.01 0.00 0.00 58.87 60.54 1x4i n SER 5 Cb 0.00 -1.27 -0.08 0.00 -1.01 0.00 0.00 64.21 61.85 1x4i n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4i s SER 6 N 4.45 4.31 -0.30 6.43 0.15 -1.26 -5.13 113.70 122.35 1x4i s SER 6 Ca 0.98 -1.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.37 1x4i s SER 6 Cb -0.86 -0.43 0.17 0.00 -1.71 0.00 0.00 66.02 63.19 1x4i s SER 6 CO 0.57 -0.54 0.89 -0.83 1.20 0.00 0.00 173.24 174.53 1x4i s GLY 7 N -3.87 -0.49 0.00 9.45 0.00 -1.26 -3.98 107.32 107.17 1x4i s GLY 7 Ca 0.39 2.59 0.00 0.00 0.00 0.00 0.00 44.72 47.70 1x4i s GLY 7 CO 0.21 3.49 0.00 -1.72 0.00 0.00 0.00 173.10 175.08 1x4i n TYR 8 N 5.32 0.00 -0.96 1.90 4.02 0.03 -4.71 117.16 122.77 1x4i n TYR 8 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.46 1x4i n TYR 8 Cb 0.52 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.90 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 -1.12 0.19 -0.22 0.00 3.07 -1.94 0.53 117.51 118.02 1x4i h ILE 10 Ca -0.43 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1x4i h ILE 10 Cb 1.33 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1x4i h ILE 10 CO 0.25 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.35 1x4i n ASN 12 N 0.18 -1.10 -4.43 0.00 4.13 0.18 -4.97 115.26 109.26 1x4i n ASN 12 Ca 0.08 -0.97 -0.22 0.00 1.68 0.00 0.00 54.58 55.15 1x4i n ASN 12 Cb 0.27 -3.21 -0.10 0.00 -1.54 0.00 0.00 39.78 35.20 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 -6.53 1.56 0.90 3.52 -1.52 -1.26 -4.42 119.66 111.92 1x4i s GLN 13 Ca 0.14 -1.72 -0.12 0.00 -1.95 0.00 0.00 55.36 51.71 1x4i s GLN 13 Cb -0.07 -1.49 0.08 0.00 -0.22 0.00 0.00 33.01 31.30 1x4i s GLN 13 CO 0.88 0.24 0.78 1.33 -0.25 0.00 0.00 175.29 178.27 1x4i n VAL 14 N -0.55 0.39 -2.75 1.09 0.24 -1.26 -0.79 118.33 114.71 1x4i n VAL 14 Ca -0.06 -0.14 -0.43 0.00 -2.04 0.00 0.00 64.34 61.67 1x4i n VAL 14 Cb 0.61 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.21 6.57 0.42 -1.34 1.04 -1.26 -4.77 113.70 112.16 1x4i s SER 15 Ca 0.63 -1.78 0.03 0.00 0.48 0.00 0.00 55.95 55.31 1x4i s SER 15 Cb -0.24 -2.48 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1x4i s SER 15 CO 0.61 -1.27 0.06 -0.72 0.98 0.00 0.00 173.24 172.90 1x4i s TYR 16 N 3.75 1.95 0.07 5.02 1.13 -1.26 -5.08 117.35 122.93 1x4i s TYR 16 Ca 0.39 -1.03 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 1x4i s TYR 16 Cb -0.02 -1.41 0.00 0.00 -1.10 0.00 0.00 41.96 39.43 1x4i s TYR 16 CO -0.10 0.03 0.00 0.41 -2.51 0.00 0.00 175.55 173.39 1x4i n GLY 17 N -0.97 -0.75 3.64 5.49 0.00 -1.26 -4.45 105.19 106.89 1x4i n GLY 17 Ca -0.09 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.56 3.89 -0.05 1.61 2.02 -1.26 -4.99 118.70 119.37 1x4i s GLU 18 Ca 0.00 2.10 0.06 0.00 0.02 0.00 0.00 54.97 57.15 1x4i s GLU 18 Cb 0.00 -4.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.11 1x4i s GLU 18 CO 0.00 -1.21 -0.24 -1.64 0.02 0.00 0.00 175.26 172.20 1x4i s MET 19 N 4.69 2.41 -0.41 1.61 -1.94 -1.26 -3.28 119.30 121.12 1x4i s MET 19 Ca 0.80 -0.88 -0.15 0.00 -1.71 0.00 0.00 55.69 53.76 1x4i s MET 19 Cb -0.33 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.38 1x4i s MET 19 CO 0.33 0.47 0.30 0.54 -0.01 0.00 0.00 175.02 176.66 1x4i s VAL 20 N -0.39 5.22 -0.06 -6.03 0.11 0.11 -4.86 120.40 114.51 1x4i s VAL 20 Ca 0.03 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 58.08 1x4i s VAL 20 Cb -0.12 -3.92 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1x4i s VAL 20 CO 0.02 -0.33 1.66 -0.83 -3.33 0.00 0.00 175.10 172.29 1x4i s GLY 21 N 1.74 1.52 0.17 6.54 0.00 -1.26 -2.96 107.32 113.07 1x4i s GLY 21 Ca 0.05 0.93 -0.34 0.00 0.00 0.00 0.00 44.72 45.36 1x4i s GLY 21 CO 0.10 3.04 1.58 0.00 0.00 0.00 0.00 173.10 177.82 1x4i h ASP 23 N 5.88 0.71 -2.44 0.00 3.58 -1.91 -3.37 116.42 118.86 1x4i h ASP 23 Ca -0.45 0.03 -0.53 0.00 0.42 0.00 0.00 57.03 56.50 1x4i h ASP 23 Cb 1.25 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 42.14 1x4i h ASP 23 CO 0.89 0.38 1.21 0.21 -2.88 0.00 0.00 179.24 179.05 1x4i s ASN 24 N -5.83 5.78 0.55 2.28 2.47 -1.26 -4.83 114.94 114.10 1x4i s ASN 24 Ca -0.10 0.35 0.37 0.00 0.42 0.00 0.00 52.86 53.90 1x4i s ASN 24 Cb 0.22 -2.54 1.95 0.00 -1.45 0.00 0.00 41.25 39.43 1x4i s ASN 24 CO 0.79 -1.97 2.13 1.56 -3.72 0.00 0.00 177.10 175.89 1x4i h GLN 25 N 12.62 0.00 0.00 0.43 7.50 -2.00 0.24 115.11 133.90 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 1.12 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.65 1x4i h GLN 25 CO 1.18 0.00 0.00 -3.47 -1.50 0.00 0.00 178.83 175.04 1x4i n ASP 26 N -2.84 0.00 -4.74 1.46 2.03 -1.26 -4.82 116.55 106.38 1x4i n ASP 26 Ca -0.02 0.12 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 1x4i n ASP 26 Cb 0.09 -0.35 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 1x4i n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x4i h PRO 28 N 5.36 0.00 0.00 0.00 0.13 -1.89 -3.31 132.00 132.28 1x4i h PRO 28 Ca -0.45 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 1x4i h PRO 28 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1x4i h PRO 28 CO 0.81 0.00 -1.86 -0.89 -0.23 0.00 0.00 178.00 175.82 1x4i n ILE 29 N -3.03 1.26 -1.99 -3.56 5.41 -1.26 -4.99 119.36 111.20 1x4i n ILE 29 Ca 0.01 -0.18 -0.20 0.00 1.00 0.00 0.00 62.75 63.38 1x4i n ILE 29 Cb 0.29 -1.90 -0.05 0.00 -0.71 0.00 0.00 39.64 37.28 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 -4.05 -1.60 -3.62 0.38 1.02 -1.25 -4.92 120.64 106.60 1x4i n GLU 30 Ca -0.35 1.06 -0.04 0.00 -0.02 0.00 0.00 57.16 57.81 1x4i n GLU 30 Cb 0.71 -5.57 -0.06 0.00 -0.02 0.00 0.00 31.44 26.49 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 -2.83 -0.85 -0.05 -0.32 0.52 -1.26 -3.67 118.94 110.49 1x4i s TRP 31 Ca 0.00 1.64 -0.08 0.00 0.02 0.00 0.00 56.10 57.68 1x4i s TRP 31 Cb 0.00 0.51 0.01 0.00 -1.15 0.00 0.00 33.47 32.84 1x4i s TRP 31 CO 0.00 -0.42 0.19 -0.06 0.02 0.00 0.00 176.95 176.68 1x4i s PHE 32 N 1.73 -0.13 0.54 -1.98 0.40 -1.16 -3.78 117.98 113.60 1x4i s PHE 32 Ca -0.08 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 43.46 1x4i s PHE 32 CO -0.17 -0.18 1.09 -1.01 0.70 0.00 0.00 175.22 175.64 1x4i s HIS 33 N -0.47 2.80 0.27 0.36 3.76 -1.26 -0.71 115.29 120.04 1x4i s HIS 33 Ca -0.06 1.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.43 1x4i s HIS 33 Cb -0.04 -3.18 0.39 0.00 1.11 0.00 0.00 32.58 30.87 1x4i s HIS 33 CO 0.01 -1.31 1.70 1.88 -0.85 0.00 0.00 174.74 176.17 1x4i h TYR 34 N 1.09 0.50 0.00 1.40 -1.99 -1.86 -2.00 116.97 114.11 1x4i h TYR 34 Ca -0.49 -0.12 -0.18 0.00 2.00 0.00 0.00 58.73 59.94 1x4i h TYR 34 Cb 1.24 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 1x4i h TYR 34 CO 0.54 0.70 -0.84 0.78 -0.00 0.00 0.00 178.16 179.34 1x4i h GLY 35 N 1.07 0.00 1.47 3.88 0.00 -1.89 0.70 103.07 108.29 1x4i h GLY 35 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 1x4i h GLY 35 CO 0.06 0.00 -0.87 0.00 0.00 0.00 0.00 176.54 175.73 1x4i n VAL 37 N -3.81 0.98 -0.63 0.00 0.24 -0.77 -5.01 118.33 109.33 1x4i n VAL 37 Ca -0.07 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.56 1x4i n VAL 37 Cb 0.79 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 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 1.40 0.26 2.69 7.63 0.00 0.11 -5.05 105.19 112.23 1x4i n GLY 38 Ca -0.11 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.67 0.14 0.18 0.99 1.43 0.20 -5.00 118.68 115.94 1x4i s LEU 39 Ca 0.00 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1x4i s LEU 39 Cb 0.00 0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.30 1x4i s LEU 39 CO 0.00 -0.31 1.47 0.71 0.23 0.00 0.00 176.35 178.44 1x4i h THR 40 N 6.39 1.33 -4.30 5.49 1.35 -2.00 -3.42 112.91 117.74 1x4i h THR 40 Ca -0.15 -1.89 -0.25 0.00 -0.55 0.00 0.00 66.41 63.57 1x4i h THR 40 Cb 1.14 1.87 -0.11 0.00 -1.73 0.00 0.00 68.15 69.32 1x4i h THR 40 CO 0.24 0.59 -0.36 -1.83 -0.25 0.00 0.00 175.52 173.91 1x4i s GLU 41 N -3.89 1.59 0.07 4.72 1.03 -1.26 -5.12 118.70 115.84 1x4i s GLU 41 Ca -0.07 -1.66 -0.31 0.00 0.03 0.00 0.00 54.97 52.97 1x4i s GLU 41 Cb 0.11 0.38 -0.09 0.00 -0.80 0.00 0.00 34.13 33.72 1x4i s GLU 41 CO 0.85 -0.61 1.80 0.00 -1.33 0.00 0.00 175.26 175.97 1x4i s ALA 42 N -3.67 3.68 -0.37 -0.84 0.00 -1.26 -4.91 121.76 114.40 1x4i s ALA 42 Ca 0.33 1.30 -0.28 0.00 0.00 0.00 0.00 51.96 53.31 1x4i s ALA 42 Cb 0.02 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 1x4i s ALA 42 CO 0.17 -1.30 1.71 -1.25 0.00 0.00 0.00 175.76 175.08 1x4i s PRO 43 N 3.28 3.35 0.16 0.00 0.04 -1.26 -4.90 135.00 135.67 1x4i s PRO 43 Ca 0.80 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.85 1x4i s PRO 43 Cb -0.42 -4.17 0.03 0.00 0.04 0.00 0.00 34.50 29.98 1x4i s PRO 43 CO 0.36 -1.84 1.59 0.87 0.04 0.00 0.00 177.00 178.02 1x4i h LYS 44 N 12.46 -0.29 0.00 4.56 1.79 -2.06 -3.42 116.57 129.60 1x4i h LYS 44 Ca -0.32 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1x4i h LYS 44 Cb 1.15 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1x4i h LYS 44 CO 1.06 -0.19 0.00 0.41 -1.08 0.00 0.00 179.45 179.64 1x4i n GLY 45 N -1.42 -1.54 3.75 3.86 0.00 -1.26 -5.00 105.19 103.59 1x4i n GLY 45 Ca -0.00 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 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 4.27 -0.07 1.61 -0.14 -1.26 -5.07 119.74 119.08 1x4i s LYS 46 Ca 0.00 0.56 0.04 0.00 -1.36 0.00 0.00 55.97 55.20 1x4i s LYS 46 Cb 0.00 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.76 1x4i s LYS 46 CO 0.00 0.31 -0.18 -0.46 -0.76 0.00 0.00 175.35 174.26 1x4i s TRP 47 N 0.08 2.62 -0.13 3.18 -0.00 -1.26 -5.12 118.94 118.32 1x4i s TRP 47 Ca 0.28 -0.45 0.01 0.00 -0.00 0.00 0.00 56.10 55.94 1x4i s TRP 47 Cb -0.16 -1.66 0.02 0.00 -0.00 0.00 0.00 33.47 31.67 1x4i s TRP 47 CO 0.13 -0.03 -0.15 0.71 -0.00 0.00 0.00 176.95 177.61 1x4i s TYR 48 N -0.32 2.09 0.82 5.86 1.51 -1.26 -3.30 117.35 122.75 1x4i s TYR 48 Ca 0.02 -1.11 -0.16 0.00 -1.01 0.00 0.00 57.07 54.81 1x4i s TYR 48 Cb -0.13 -1.53 -0.07 0.00 -0.11 0.00 0.00 41.96 40.12 1x4i s TYR 48 CO 0.02 -0.60 0.00 0.00 -1.11 0.00 0.00 175.55 173.87 1x4i n PRO 50 N 0.39 0.04 0.05 0.00 -0.04 -1.26 -2.38 135.00 131.80 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 -1.57 -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 -3.22 115.11 114.65 1x4i h GLN 51 Ca 0.00 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1x4i h GLN 51 Cb 0.26 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1x4i h GLN 51 CO 0.00 0.96 -0.63 0.00 -0.67 0.00 0.00 178.83 178.49 1x4i h THR 53 N -1.00 0.33 0.03 0.00 2.02 -1.66 0.64 112.91 113.27 1x4i h THR 53 Ca -0.09 -0.02 -0.28 0.00 0.77 0.00 0.00 66.41 66.79 1x4i h THR 53 Cb 0.68 0.26 0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1x4i h THR 53 CO -0.06 0.01 -1.10 0.00 0.37 0.00 0.00 175.52 174.74 1x4i h ALA 54 N 1.39 0.10 -0.08 6.16 0.00 -1.71 -2.86 119.26 122.25 1x4i h ALA 54 Ca 0.66 -0.72 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1x4i h ALA 54 Cb 2.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.31 1x4i h ALA 54 CO -0.09 0.69 -0.14 0.00 0.00 0.00 0.00 179.25 179.72 1x4i h ALA 55 N 0.38 0.12 -0.93 0.00 0.00 0.07 -2.71 119.26 116.19 1x4i h ALA 55 Ca -0.15 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.49 1x4i h ALA 55 Cb 1.76 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.46 1x4i h ALA 55 CO 0.21 0.02 0.59 0.52 0.00 0.00 0.00 179.25 180.59 1x4i h MET 56 N -0.23 1.03 -0.73 0.00 2.86 -0.68 -1.59 114.93 115.59 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 0.72 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1x4i h MET 56 CO 0.03 0.68 0.22 0.87 1.06 0.00 0.00 176.91 179.77 1x4i h LYS 57 N 1.06 1.13 -0.47 1.72 1.57 -1.51 -2.65 116.57 117.42 1x4i h LYS 57 Ca 0.41 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1x4i h LYS 57 Cb 0.20 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1x4i h LYS 57 CO -0.18 0.97 0.09 0.00 -0.57 0.00 0.00 179.45 179.76 1x4i h ARG 58 N 1.08 0.72 -0.92 3.15 3.08 -0.99 -1.93 114.38 118.58 1x4i h ARG 58 Ca 0.23 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1x4i h ARG 58 Cb 0.32 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 1x4i h ARG 58 CO -0.01 0.67 0.13 0.54 -1.07 0.00 0.00 179.97 180.24 1x4i n ARG 59 N -4.28 2.04 -0.05 0.04 1.74 -0.71 -4.16 116.66 111.27 1x4i n ARG 59 Ca 0.03 -1.23 -0.18 0.00 -0.77 0.00 0.00 57.85 55.70 1x4i n ARG 59 Cb 0.23 -1.64 -0.13 0.00 -1.02 0.00 0.00 32.46 29.90 1x4i n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1x4i h GLY 60 N 3.72 0.08 -2.67 -0.13 0.00 -1.22 -3.48 103.07 99.37 1x4i h GLY 60 Ca 0.13 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.04 1x4i h GLY 60 CO 0.32 0.19 -0.58 -1.35 0.00 0.00 0.00 176.54 175.12 1x4i s SER 61 N -6.60 0.18 -1.27 0.19 1.04 -1.26 -4.91 113.70 101.07 1x4i s SER 61 Ca -0.21 -1.27 -0.01 0.00 0.48 0.00 0.00 55.95 54.94 1x4i s SER 61 Cb 0.01 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 1x4i s SER 61 CO 0.69 -0.83 0.77 -1.14 0.98 0.00 0.00 173.24 173.72 1x4i n ARG 62 N -0.22 -5.09 -3.48 4.02 3.00 -1.26 -4.98 116.66 108.64 1x4i n ARG 62 Ca -0.01 0.67 -0.09 0.00 -0.00 0.00 0.00 57.85 58.42 1x4i n ARG 62 Cb 0.65 -5.32 -0.02 0.00 0.00 0.00 0.00 32.46 27.77 1x4i n ARG 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1x4i s HIS 63 N -3.59 -0.40 -0.11 -0.14 2.46 -1.26 -5.07 115.29 107.18 1x4i s HIS 63 Ca 0.03 0.25 -0.29 0.00 0.47 0.00 0.00 55.06 55.52 1x4i s HIS 63 Cb -0.01 0.54 -0.04 0.00 -0.13 0.00 0.00 32.58 32.95 1x4i s HIS 63 CO 0.79 -0.62 1.48 0.21 -2.47 0.00 0.00 174.74 174.13 1x4i s LYS 64 N -3.23 4.19 0.03 2.88 2.47 -1.26 -5.01 119.74 119.81 1x4i s LYS 64 Ca 0.04 1.93 -0.01 0.00 -1.56 0.00 0.00 55.97 56.37 1x4i s LYS 64 Cb -0.01 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.43 1x4i s LYS 64 CO -0.10 -0.80 0.19 -1.54 0.16 0.00 0.00 175.35 173.26 1x4i s SER 65 N 2.77 6.28 0.31 1.43 1.04 -1.26 -5.11 113.70 119.16 1x4i s SER 65 Ca 0.65 0.28 0.07 0.00 0.48 0.00 0.00 55.95 57.42 1x4i s SER 65 Cb -0.28 -1.93 -0.03 0.00 0.10 0.00 0.00 66.02 63.89 1x4i s SER 65 CO 0.23 0.21 0.27 0.61 0.98 0.00 0.00 173.24 175.54 1x4i n GLY 66 N 0.58 2.95 3.58 7.32 0.00 -1.26 -5.17 105.19 113.19 1x4i n GLY 66 Ca -0.08 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.24 -1.50 -1.04 1.61 0.04 -1.26 -4.97 135.00 124.63 1x4i s PRO 67 Ca 0.37 -0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.16 1x4i s PRO 67 Cb 0.02 -1.57 0.26 0.00 0.04 0.00 0.00 34.50 33.25 1x4i s PRO 67 CO 0.26 -3.88 1.02 0.45 0.04 0.00 0.00 177.00 174.89 1x4i s SER 68 N -3.96 7.09 0.03 6.66 0.15 -1.26 -4.89 113.70 117.52 1x4i s SER 68 Ca 0.72 -3.45 -0.29 0.00 0.70 0.00 0.00 55.95 53.62 1x4i s SER 68 Cb -0.08 -2.18 -0.17 0.00 -1.71 0.00 0.00 66.02 61.88 1x4i s SER 68 CO 0.56 -0.33 1.25 -1.28 1.20 0.00 0.00 173.24 174.65 1x4i h SER 69 N 6.80 -0.85 0.00 5.45 0.87 -2.08 -3.59 113.55 120.16 1x4i h SER 69 Ca 0.16 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1x4i h SER 69 Cb 0.90 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1x4i h SER 69 CO 0.95 -0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.37