#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 6.30 -0.10 1.61 1.04 -1.26 -5.02 113.70 116.27 1x4i s SER 2 Ca 0.00 2.66 0.03 0.00 0.48 0.00 0.00 55.95 59.11 1x4i s SER 2 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 1x4i s SER 2 CO 0.00 -0.86 -0.18 -0.55 0.98 0.00 0.00 173.24 172.63 1x4i s SER 3 N -0.74 3.60 0.00 7.02 0.15 -1.26 -5.04 113.70 117.43 1x4i s SER 3 Ca 0.57 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1x4i s SER 3 Cb -0.38 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1x4i s SER 3 CO 0.49 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.74 1x4i n GLY 4 N 3.27 0.92 3.87 9.45 0.00 -1.26 -5.16 105.19 116.28 1x4i n GLY 4 Ca -0.18 0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 6.65 0.10 1.61 1.04 -1.26 -5.06 113.70 116.78 1x4i s SER 5 Ca 0.00 0.86 -0.30 0.00 0.48 0.00 0.00 55.95 56.99 1x4i s SER 5 Cb 0.00 -2.20 -0.06 0.00 0.10 0.00 0.00 66.02 63.86 1x4i s SER 5 CO 0.00 0.06 0.96 -0.44 0.98 0.00 0.00 173.24 174.80 1x4i s SER 6 N -2.06 7.48 -0.30 7.02 0.01 -1.26 -5.02 113.70 119.57 1x4i s SER 6 Ca 0.40 1.78 -0.15 0.00 1.31 0.00 0.00 55.95 59.30 1x4i s SER 6 Cb -0.13 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.69 1x4i s SER 6 CO 0.20 -0.09 1.08 -0.83 0.41 0.00 0.00 173.24 174.02 1x4i s GLY 7 N 0.09 -0.20 -0.03 3.44 0.00 -1.26 -3.90 107.32 105.47 1x4i s GLY 7 Ca 0.47 3.00 -0.03 0.00 0.00 0.00 0.00 44.72 48.16 1x4i s GLY 7 CO 0.30 3.63 -0.06 -1.72 0.00 0.00 0.00 173.10 175.25 1x4i n TYR 8 N 5.22 0.00 -0.91 1.90 4.02 -0.56 -4.57 117.16 122.26 1x4i n TYR 8 Ca -0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.46 1x4i n TYR 8 Cb 0.54 -0.08 0.07 0.00 -0.02 0.00 0.00 39.34 39.85 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 -1.25 0.55 -0.02 0.00 3.07 -1.94 0.57 117.51 118.48 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 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 1x4i h ILE 10 CO 0.27 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.37 1x4i n ASN 12 N -0.37 -2.20 -4.26 0.00 4.13 0.20 -4.97 115.26 107.78 1x4i n ASN 12 Ca 0.01 -1.06 -0.19 0.00 1.68 0.00 0.00 54.58 55.02 1x4i n ASN 12 Cb 0.05 -2.92 -0.11 0.00 -1.54 0.00 0.00 39.78 35.26 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 -6.52 1.09 0.79 3.52 -1.52 -1.26 -4.39 119.66 111.37 1x4i s GLN 13 Ca 0.20 -1.27 -0.14 0.00 -1.95 0.00 0.00 55.36 52.20 1x4i s GLN 13 Cb -0.08 -1.03 0.03 0.00 -0.22 0.00 0.00 33.01 31.71 1x4i s GLN 13 CO 0.90 0.20 0.89 1.33 -0.25 0.00 0.00 175.29 178.36 1x4i n VAL 14 N 0.51 1.83 -2.63 1.09 0.24 -1.25 -1.49 118.33 116.63 1x4i n VAL 14 Ca -0.15 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.34 61.44 1x4i n VAL 14 Cb 0.57 -0.99 -0.02 0.00 -1.47 0.00 0.00 33.84 31.93 1x4i n VAL 14 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x4i s SER 15 N -1.86 6.94 0.33 -1.34 0.15 -1.26 -4.84 113.70 111.82 1x4i s SER 15 Ca 0.69 1.10 0.05 0.00 0.70 0.00 0.00 55.95 58.50 1x4i s SER 15 Cb -0.30 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.43 1x4i s SER 15 CO 0.55 -0.87 0.22 -0.72 1.20 0.00 0.00 173.24 173.63 1x4i s TYR 16 N 3.64 1.69 0.00 3.44 -0.85 -1.26 -5.09 117.35 118.91 1x4i s TYR 16 Ca 0.46 -1.54 0.00 0.00 -0.52 0.00 0.00 57.07 55.47 1x4i s TYR 16 Cb -0.13 -0.80 0.00 0.00 0.38 0.00 0.00 41.96 41.41 1x4i s TYR 16 CO 0.15 -0.71 0.00 0.41 -1.52 0.00 0.00 175.55 173.88 1x4i n GLY 17 N -0.64 2.06 3.48 5.49 0.00 -1.26 -4.13 105.19 110.19 1x4i n GLY 17 Ca 0.04 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 3.45 0.01 1.61 2.02 -1.26 -5.08 118.70 119.45 1x4i s GLU 18 Ca 0.00 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.37 1x4i s GLU 18 Cb 0.00 -3.64 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 1x4i s GLU 18 CO 0.00 -0.39 -0.07 -1.64 0.02 0.00 0.00 175.26 173.17 1x4i s MET 19 N 1.66 2.52 -0.35 1.61 -1.94 -1.26 -3.68 119.30 117.86 1x4i s MET 19 Ca 0.05 -0.74 -0.08 0.00 -1.71 0.00 0.00 55.69 53.22 1x4i s MET 19 Cb -0.17 -2.49 0.04 0.00 2.01 0.00 0.00 34.83 34.23 1x4i s MET 19 CO 0.08 0.60 0.14 0.54 -0.01 0.00 0.00 175.02 176.37 1x4i s VAL 20 N -1.00 3.97 0.20 -6.03 0.11 -0.02 -4.89 120.40 112.74 1x4i s VAL 20 Ca 0.17 -1.12 -0.30 0.00 -2.93 0.00 0.00 61.98 57.80 1x4i s VAL 20 Cb -0.11 -3.27 -0.08 0.00 -1.53 0.00 0.00 36.38 31.39 1x4i s VAL 20 CO 0.08 -0.23 1.22 -0.83 -3.33 0.00 0.00 175.10 172.00 1x4i s GLY 21 N 1.50 2.67 0.08 6.54 0.00 -1.26 -2.53 107.32 114.32 1x4i s GLY 21 Ca -0.00 0.99 -0.31 0.00 0.00 0.00 0.00 44.72 45.40 1x4i s GLY 21 CO 0.03 1.88 1.58 0.00 0.00 0.00 0.00 173.10 176.59 1x4i h ASP 23 N 7.88 0.32 -2.34 0.00 3.58 -1.93 -3.35 116.42 120.58 1x4i h ASP 23 Ca -0.42 0.06 -0.53 0.00 0.42 0.00 0.00 57.03 56.57 1x4i h ASP 23 Cb 1.20 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.20 1x4i h ASP 23 CO 0.92 0.05 1.15 0.21 -2.88 0.00 0.00 179.24 178.69 1x4i s ASN 24 N -5.22 5.90 0.61 2.28 2.47 -1.26 -4.84 114.94 114.88 1x4i s ASN 24 Ca -0.08 -0.09 0.30 0.00 0.42 0.00 0.00 52.86 53.42 1x4i s ASN 24 Cb 0.25 -2.55 1.71 0.00 -1.45 0.00 0.00 41.25 39.21 1x4i s ASN 24 CO 0.80 -1.97 2.08 1.56 -3.72 0.00 0.00 177.10 175.85 1x4i h GLN 25 N 11.62 0.00 0.00 0.43 1.08 -2.00 0.25 115.11 126.48 1x4i h GLN 25 Ca -0.27 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.90 1x4i h GLN 25 Cb 1.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 1x4i h GLN 25 CO 1.24 0.00 -0.13 -0.44 -0.95 0.00 0.00 178.83 178.56 1x4i h ASP 26 N 0.00 0.00 -1.97 1.46 5.19 -1.91 -3.45 116.42 115.74 1x4i h ASP 26 Ca 0.08 0.00 -0.65 0.00 -0.62 0.00 0.00 57.03 55.84 1x4i h ASP 26 Cb 0.55 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.14 1x4i h ASP 26 CO -0.00 0.13 0.32 0.00 -3.12 0.00 0.00 179.24 176.57 1x4i h PRO 28 N 3.59 0.00 0.00 0.00 0.13 -1.88 -3.33 132.00 130.51 1x4i h PRO 28 Ca -0.44 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.48 1x4i h PRO 28 Cb 1.34 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.43 1x4i h PRO 28 CO 0.71 0.00 -1.66 -0.89 -0.23 0.00 0.00 178.00 175.93 1x4i n ILE 29 N -3.01 0.86 -2.40 -3.56 5.41 -1.26 -4.99 119.36 110.42 1x4i n ILE 29 Ca 0.01 -0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.52 1x4i n ILE 29 Cb 0.29 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.48 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 -3.69 -2.40 -3.17 0.38 2.13 -1.25 -4.86 120.64 107.77 1x4i n GLU 30 Ca -0.26 0.42 0.04 0.00 0.66 0.00 0.00 57.16 58.02 1x4i n GLU 30 Cb 0.65 -4.97 -0.01 0.00 0.27 0.00 0.00 31.44 27.38 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 -2.39 -1.16 0.14 4.31 0.52 -1.26 -3.17 118.94 115.93 1x4i s TRP 31 Ca 0.00 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.44 1x4i s TRP 31 Cb 0.00 0.43 -0.04 0.00 -1.15 0.00 0.00 33.47 32.70 1x4i s TRP 31 CO 0.00 -0.63 -0.10 -0.06 0.02 0.00 0.00 176.95 176.18 1x4i s PHE 32 N 2.88 1.25 0.38 -1.98 0.40 -1.05 -2.91 117.98 116.95 1x4i s PHE 32 Ca 0.11 -0.75 -0.14 0.00 -0.60 0.00 0.00 56.93 55.54 1x4i s PHE 32 Cb -0.13 -0.64 -0.08 0.00 0.51 0.00 0.00 43.02 42.68 1x4i s PHE 32 CO -0.17 0.07 0.80 -1.01 0.70 0.00 0.00 175.22 175.61 1x4i s HIS 33 N -3.25 3.40 0.30 0.36 3.76 -1.26 -0.84 115.29 117.76 1x4i s HIS 33 Ca 0.16 1.24 0.07 0.00 -0.15 0.00 0.00 55.06 56.37 1x4i s HIS 33 Cb 0.02 -2.57 0.47 0.00 1.11 0.00 0.00 32.58 31.61 1x4i s HIS 33 CO 0.00 -0.04 1.71 1.88 -0.85 0.00 0.00 174.74 177.44 1x4i h TYR 34 N 1.76 0.27 0.00 1.40 -1.99 -1.87 -2.09 116.97 114.45 1x4i h TYR 34 Ca -0.48 -0.07 -0.22 0.00 2.00 0.00 0.00 58.73 59.96 1x4i h TYR 34 Cb 1.18 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.82 1x4i h TYR 34 CO 0.62 0.60 -1.08 0.78 -0.00 0.00 0.00 178.16 179.08 1x4i h GLY 35 N 1.20 0.00 1.73 3.88 0.00 -1.91 0.71 103.07 108.69 1x4i h GLY 35 Ca 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 1x4i h GLY 35 CO 0.06 0.01 -0.77 0.00 0.00 0.00 0.00 176.54 175.84 1x4i n VAL 37 N -3.76 1.05 -0.54 0.00 0.24 -0.80 -5.00 118.33 109.52 1x4i n VAL 37 Ca -0.03 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1x4i n VAL 37 Cb 0.73 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.63 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 1.53 0.31 2.63 7.63 0.00 0.93 -5.07 105.19 113.15 1x4i n GLY 38 Ca -0.19 -0.50 -0.25 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 -0.55 0.29 0.27 0.99 1.43 0.21 -5.00 118.68 116.32 1x4i s LEU 39 Ca 0.00 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1x4i s LEU 39 Cb 0.00 -0.19 0.36 0.00 0.03 0.00 0.00 46.19 46.39 1x4i s LEU 39 CO 0.00 -0.34 1.64 0.71 0.23 0.00 0.00 176.35 178.59 1x4i h THR 40 N 6.42 1.34 -3.48 5.49 1.35 -2.00 -3.43 112.91 118.59 1x4i h THR 40 Ca -0.15 -1.71 -0.06 0.00 -0.55 0.00 0.00 66.41 63.94 1x4i h THR 40 Cb 1.15 1.80 -0.13 0.00 -1.73 0.00 0.00 68.15 69.24 1x4i h THR 40 CO 0.27 0.51 -0.15 -1.83 -0.25 0.00 0.00 175.52 174.07 1x4i s GLU 41 N -4.00 1.00 -0.07 4.72 1.03 -1.26 -5.12 118.70 115.00 1x4i s GLU 41 Ca -0.04 -0.76 -0.39 0.00 0.03 0.00 0.00 54.97 53.81 1x4i s GLU 41 Cb 0.13 0.43 -0.18 0.00 -0.80 0.00 0.00 34.13 33.71 1x4i s GLU 41 CO 0.78 -0.37 1.39 0.00 -1.33 0.00 0.00 175.26 175.73 1x4i n ALA 42 N -0.14 -1.48 -2.04 -0.84 0.00 -1.26 -4.81 120.51 109.94 1x4i n ALA 42 Ca -0.16 0.51 -0.39 0.00 0.00 0.00 0.00 53.44 53.40 1x4i n ALA 42 Cb 0.63 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.03 1x4i n ALA 42 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x4i s PRO 43 N 1.27 2.71 0.18 0.00 0.04 -1.26 -4.88 135.00 133.04 1x4i s PRO 43 Ca 0.91 0.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1x4i s PRO 43 Cb -1.11 -4.36 0.04 0.00 0.04 0.00 0.00 34.50 29.11 1x4i s PRO 43 CO 0.57 -2.63 1.56 0.87 0.04 0.00 0.00 177.00 177.40 1x4i h LYS 44 N 14.70 -0.14 0.00 4.56 1.57 -2.06 -3.41 116.57 131.78 1x4i h LYS 44 Ca -0.27 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1x4i h LYS 44 Cb 1.16 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1x4i h LYS 44 CO 1.20 -0.09 0.00 0.41 -0.57 0.00 0.00 179.45 180.40 1x4i n GLY 45 N -1.38 -1.31 3.77 3.86 0.00 -1.26 -5.00 105.19 103.87 1x4i n GLY 45 Ca 0.03 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 4.45 -0.03 1.61 -0.14 -1.26 -5.07 119.74 119.30 1x4i s LYS 46 Ca 0.00 1.01 0.07 0.00 -1.36 0.00 0.00 55.97 55.68 1x4i s LYS 46 Cb 0.00 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 1x4i s LYS 46 CO 0.00 0.47 -0.23 -0.46 -0.76 0.00 0.00 175.35 174.37 1x4i s TRP 47 N -0.70 2.12 -0.10 3.18 -0.00 -1.26 -5.10 118.94 117.08 1x4i s TRP 47 Ca 0.35 -0.47 -0.01 0.00 -0.00 0.00 0.00 56.10 55.98 1x4i s TRP 47 Cb -0.21 -1.38 0.03 0.00 -0.00 0.00 0.00 33.47 31.91 1x4i s TRP 47 CO 0.23 -0.08 -0.05 0.71 -0.00 0.00 0.00 176.95 177.75 1x4i s TYR 48 N -0.42 1.24 0.78 5.86 2.02 -1.26 -3.37 117.35 122.20 1x4i s TYR 48 Ca 0.05 -0.57 -0.17 0.00 -0.37 0.00 0.00 57.07 56.02 1x4i s TYR 48 Cb -0.10 -1.10 -0.11 0.00 -0.40 0.00 0.00 41.96 40.25 1x4i s TYR 48 CO 0.00 -0.45 -0.22 0.00 -1.57 0.00 0.00 175.55 173.31 1x4i n PRO 50 N 1.19 0.03 0.06 0.00 -0.04 -1.26 -2.35 135.00 132.63 1x4i n PRO 50 Ca 0.04 0.28 -0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1x4i n PRO 50 Cb 0.52 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 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 -2.01 -3.26 115.11 114.59 1x4i h GLN 51 Ca 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.60 1x4i h GLN 51 Cb 0.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1x4i h GLN 51 CO 0.00 0.79 -0.84 0.00 -0.67 0.00 0.00 178.83 178.11 1x4i h THR 53 N -1.00 0.33 -0.16 0.00 2.02 -1.65 0.67 112.91 113.12 1x4i h THR 53 Ca -0.16 -0.01 -0.21 0.00 0.77 0.00 0.00 66.41 66.80 1x4i h THR 53 Cb 0.87 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1x4i h THR 53 CO -0.10 0.00 -0.72 0.00 0.37 0.00 0.00 175.52 175.07 1x4i h ALA 54 N 1.35 0.30 -0.05 6.16 0.00 -1.72 -1.99 119.26 123.31 1x4i h ALA 54 Ca 0.64 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 1x4i h ALA 54 Cb 2.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 20.29 1x4i h ALA 54 CO -0.03 0.64 -0.64 0.00 0.00 0.00 0.00 179.25 179.22 1x4i h ALA 55 N 0.55 0.14 -0.81 0.00 0.00 0.07 -3.12 119.26 116.09 1x4i h ALA 55 Ca -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 1x4i h ALA 55 Cb 1.36 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1x4i h ALA 55 CO 0.15 0.43 0.34 0.52 0.00 0.00 0.00 179.25 180.69 1x4i h MET 56 N 0.09 1.20 -0.05 0.00 2.86 -0.65 -2.52 114.93 115.85 1x4i h MET 56 Ca -0.07 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1x4i h MET 56 Cb 1.31 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1x4i h MET 56 CO 0.13 0.96 -0.08 0.87 1.06 0.00 0.00 176.91 179.84 1x4i h LYS 57 N 1.18 -0.11 -0.49 1.72 1.57 -1.41 -1.16 116.57 117.86 1x4i h LYS 57 Ca 0.27 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 1x4i h LYS 57 Cb 0.19 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1x4i h LYS 57 CO -0.03 -0.07 0.24 0.00 -0.57 0.00 0.00 179.45 179.02 1x4i h ARG 58 N -0.11 0.45 -0.24 3.15 3.08 -1.45 -1.29 114.38 117.97 1x4i h ARG 58 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1x4i h ARG 58 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1x4i h ARG 58 CO -0.12 0.30 0.16 0.00 -1.07 0.00 0.00 179.97 179.24 1x4i h ARG 59 N 0.47 0.31 -1.79 0.04 3.08 -1.07 -2.49 114.38 112.93 1x4i h ARG 59 Ca 0.22 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 1x4i h ARG 59 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1x4i h ARG 59 CO -0.16 0.20 0.03 0.41 -1.07 0.00 0.00 179.97 179.38 1x4i n GLY 60 N -1.50 2.51 3.47 0.04 0.00 -0.47 -4.83 105.19 104.40 1x4i n GLY 60 Ca 0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 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 1.70 3.60 0.85 1.61 0.15 -0.94 -5.03 113.70 115.65 1x4i s SER 61 Ca 0.02 -0.98 -0.13 0.00 0.70 0.00 0.00 55.95 55.56 1x4i s SER 61 Cb 0.02 -0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.06 1x4i s SER 61 CO 0.00 0.06 0.79 -1.14 1.20 0.00 0.00 173.24 174.15 1x4i n ARG 62 N -0.45 -0.02 -4.61 5.44 0.63 -1.26 -5.02 116.66 111.38 1x4i n ARG 62 Ca -0.07 0.06 -0.28 0.00 -0.92 0.00 0.00 57.85 56.64 1x4i n ARG 62 Cb 0.59 -2.11 -0.17 0.00 0.45 0.00 0.00 32.46 31.23 1x4i n ARG 62 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1x4i s HIS 63 N -2.22 1.93 -0.49 -0.14 2.46 -1.26 -4.73 115.29 110.82 1x4i s HIS 63 Ca 0.66 -0.84 -0.03 0.00 0.47 0.00 0.00 55.06 55.31 1x4i s HIS 63 Cb -0.27 -1.37 0.00 0.00 -0.13 0.00 0.00 32.58 30.81 1x4i s HIS 63 CO 0.59 -0.41 0.43 1.17 -2.47 0.00 0.00 174.74 174.04 1x4i n LYS 64 N 3.99 -2.91 -1.79 2.88 4.81 -1.26 -4.90 118.16 118.98 1x4i n LYS 64 Ca -0.20 0.30 -0.20 0.00 -0.87 0.00 0.00 58.31 57.35 1x4i n LYS 64 Cb 0.52 -3.73 -0.06 0.00 0.02 0.00 0.00 35.03 31.77 1x4i n LYS 64 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1x4i s SER 65 N -3.12 4.47 0.00 3.14 1.04 -1.26 -4.70 113.70 113.27 1x4i s SER 65 Ca 0.21 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.34 1x4i s SER 65 Cb -0.09 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1x4i s SER 65 CO 0.27 -3.36 0.00 0.61 0.98 0.00 0.00 173.24 171.73 1x4i n GLY 66 N 6.83 1.84 3.56 7.32 0.00 -1.26 -5.08 105.19 118.40 1x4i n GLY 66 Ca 0.44 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 2.16 2.56 -0.48 1.61 0.04 -1.26 -4.90 135.00 134.73 1x4i s PRO 67 Ca 0.00 -0.17 0.03 0.00 0.04 0.00 0.00 61.00 60.89 1x4i s PRO 67 Cb 0.00 -4.98 0.12 0.00 0.04 0.00 0.00 34.50 29.69 1x4i s PRO 67 CO 0.00 -3.30 0.22 -1.54 0.04 0.00 0.00 177.00 172.42 1x4i s SER 68 N 8.05 4.58 -0.18 6.66 1.04 -1.26 -4.93 113.70 127.66 1x4i s SER 68 Ca 0.70 -2.73 -0.24 0.00 0.48 0.00 0.00 55.95 54.16 1x4i s SER 68 Cb -0.07 -1.67 -0.22 0.00 0.10 0.00 0.00 66.02 64.15 1x4i s SER 68 CO 0.02 -0.30 0.43 -1.28 0.98 0.00 0.00 173.24 173.09 1x4i h SER 69 N 6.92 0.02 0.00 7.02 0.87 -2.02 -3.55 113.55 122.81 1x4i h SER 69 Ca -0.06 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 1x4i h SER 69 Cb 0.94 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1x4i h SER 69 CO 0.65 1.32 0.00 0.61 -0.53 0.00 0.00 176.83 178.88