#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqa s SER 2 N 0.00 5.32 -0.20 1.61 1.04 -1.26 -4.89 113.70 115.33 1oqa s SER 2 Ca 0.00 -0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 1oqa s SER 2 Cb 0.00 -1.31 0.04 0.00 0.10 0.00 0.00 66.02 64.85 1oqa s SER 2 CO 0.00 0.02 0.21 0.00 0.98 0.00 0.00 173.24 174.45 1oqa n GLN 3 N -0.69 -4.35 -0.03 4.02 6.02 -1.26 -5.03 117.38 116.06 1oqa n GLN 3 Ca -0.08 3.31 -0.08 0.00 -0.01 0.00 0.00 57.00 60.14 1oqa n GLN 3 Cb 0.56 -4.96 -0.03 0.00 1.02 0.00 0.00 30.24 26.84 1oqa n GLN 3 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1oqa n ASP 4 N 1.62 0.66 -2.74 1.08 9.92 -1.26 -5.11 116.55 120.72 1oqa n ASP 4 Ca -0.36 0.11 -0.02 0.00 -0.53 0.00 0.00 54.79 53.99 1oqa n ASP 4 Cb 0.56 -0.26 -0.02 0.00 -0.64 0.00 0.00 41.12 40.75 1oqa n ASP 4 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1oqa n ARG 5 N -3.41 -3.55 -5.02 -1.24 5.12 -1.26 -5.02 116.66 102.28 1oqa n ARG 5 Ca -0.14 2.81 -0.32 0.00 -1.93 0.00 0.00 57.85 58.26 1oqa n ARG 5 Cb 0.55 -4.61 -0.14 0.00 -1.16 0.00 0.00 32.46 27.10 1oqa n ARG 5 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1oqa s LYS 6 N -1.10 2.46 0.31 5.56 -0.14 -1.26 -4.96 119.74 120.61 1oqa s LYS 6 Ca -0.12 -0.77 0.24 0.00 -1.36 0.00 0.00 55.97 53.96 1oqa s LYS 6 Cb 0.01 -2.29 0.42 0.00 -1.68 0.00 0.00 37.83 34.29 1oqa s LYS 6 CO 0.68 0.56 1.54 -0.84 -0.76 0.00 0.00 175.35 176.53 1oqa h ILE 7 N 4.50 0.00 0.06 2.17 -0.00 -1.14 -3.34 117.51 119.76 1oqa h ILE 7 Ca -0.43 -0.79 -0.36 0.00 -0.00 0.00 0.00 64.86 63.28 1oqa h ILE 7 Cb 1.15 1.68 -0.04 0.00 -0.00 0.00 0.00 36.82 39.61 1oqa h ILE 7 CO 0.50 0.00 -2.05 0.49 -0.00 0.00 0.00 178.15 177.09 1oqa n PHE 8 N -2.69 0.78 -2.84 0.16 3.72 0.25 -4.24 117.46 112.60 1oqa n PHE 8 Ca 0.04 0.20 -0.18 0.00 -0.05 0.00 0.00 57.45 57.46 1oqa n PHE 8 Cb 0.49 -1.10 0.02 0.00 -0.94 0.00 0.00 39.48 37.96 1oqa n PHE 8 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1oqa n ARG 9 N -3.68 -0.95 -1.35 -1.08 1.85 -1.23 -4.17 116.66 106.04 1oqa n ARG 9 Ca -0.38 0.90 0.00 0.00 -1.00 0.00 0.00 57.85 57.37 1oqa n ARG 9 Cb 0.95 -1.23 0.00 0.00 -1.05 0.00 0.00 32.46 31.14 1oqa n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1oqa n GLY 10 N 0.41 0.17 3.03 2.89 0.00 -1.05 -4.90 105.19 105.74 1oqa n GLY 10 Ca -0.04 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1oqa n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oqa s LEU 11 N -2.10 2.31 -0.11 0.99 0.20 -1.21 -0.65 118.68 118.11 1oqa s LEU 11 Ca 0.00 -0.64 -0.01 0.00 0.69 0.00 0.00 54.13 54.18 1oqa s LEU 11 Cb 0.00 0.04 0.03 0.00 -0.43 0.00 0.00 46.19 45.83 1oqa s LEU 11 CO 0.00 -0.34 -0.06 -1.61 -0.29 0.00 0.00 176.35 174.05 1oqa s GLU 12 N -2.10 1.31 -0.09 1.98 2.02 0.21 0.15 118.70 122.18 1oqa s GLU 12 Ca -0.08 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1oqa s GLU 12 Cb -0.06 -1.51 0.02 0.00 0.10 0.00 0.00 34.13 32.69 1oqa s GLU 12 CO -0.03 -0.30 -0.08 0.42 0.02 0.00 0.00 175.26 175.30 1oqa s ILE 13 N 1.76 0.93 -0.12 -1.63 1.01 -0.73 0.12 121.20 122.54 1oqa s ILE 13 Ca 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1oqa s ILE 13 Cb -0.13 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1oqa s ILE 13 CO -0.08 0.34 -0.01 0.00 0.00 0.00 0.00 174.94 175.19 1oqa s TYR 16 N 2.67 3.15 0.00 0.00 6.14 -1.14 -4.93 117.35 123.24 1oqa s TYR 16 Ca 0.13 0.02 0.00 0.00 0.64 0.00 0.00 57.07 57.86 1oqa s TYR 16 Cb -0.22 -3.02 0.00 0.00 0.42 0.00 0.00 41.96 39.14 1oqa s TYR 16 CO 0.05 -0.65 0.00 0.41 0.64 0.00 0.00 175.55 176.00 1oqa n GLY 17 N 4.91 3.07 0.07 8.97 0.00 -1.26 -4.52 105.19 116.42 1oqa n GLY 17 Ca -0.04 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.15 1oqa n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oqa n PRO 18 N -0.45 0.20 0.00 1.61 -0.04 -1.26 -4.94 135.00 130.12 1oqa n PRO 18 Ca 0.00 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1oqa n PRO 18 Cb 0.00 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1oqa n PRO 18 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oqa n PHE 19 N -2.03 0.00 0.00 0.54 3.01 -1.26 -3.62 117.46 114.10 1oqa n PHE 19 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1oqa n PHE 19 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1oqa n PHE 19 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1oqa n THR 20 N 0.00 0.00 -2.51 4.37 -2.24 -1.26 -1.06 114.28 111.58 1oqa n THR 20 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1oqa n THR 20 Cb 0.00 -0.32 0.01 0.00 -2.10 0.00 0.00 70.33 67.93 1oqa n THR 20 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oqa n ASN 21 N -1.54 -0.13 0.00 3.42 2.85 -1.24 -4.84 115.26 113.78 1oqa n ASN 21 Ca 0.00 -1.11 0.00 0.00 -0.11 0.00 0.00 54.58 53.36 1oqa n ASN 21 Cb 0.00 0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.08 1oqa n ASN 21 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 1oqa n MET 22 N -0.14 0.00 -1.51 1.20 1.56 -1.26 -5.07 117.12 111.90 1oqa n MET 22 Ca -0.02 0.00 -0.13 0.00 -0.27 0.00 0.00 57.70 57.29 1oqa n MET 22 Cb 0.53 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.80 1oqa n MET 22 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1oqa n PRO 23 N 0.00 0.22 0.08 2.12 -0.02 -1.26 -3.94 135.00 132.20 1oqa n PRO 23 Ca 0.00 -1.15 0.00 0.00 -2.02 0.00 0.00 63.50 60.33 1oqa n PRO 23 Cb 0.00 -3.37 0.00 0.00 -0.02 0.00 0.00 33.50 30.11 1oqa n PRO 23 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1oqa n THR 24 N 8.31 0.00 0.04 3.45 -1.04 -1.26 -4.70 114.28 119.08 1oqa n THR 24 Ca 0.40 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.38 1oqa n THR 24 Cb 0.44 -0.34 -0.09 0.00 -1.82 0.00 0.00 70.33 68.52 1oqa n THR 24 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1oqa h ASP 25 N 0.00 0.00 0.92 8.00 5.19 -2.01 -3.12 116.42 125.41 1oqa h ASP 25 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1oqa h ASP 25 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1oqa h ASP 25 CO 0.00 0.80 -0.65 -0.61 -3.12 0.00 0.00 179.24 175.66 1oqa h GLN 26 N 0.00 0.00 0.04 3.56 4.15 -1.91 -2.55 115.11 118.40 1oqa h GLN 26 Ca -0.13 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1oqa h GLN 26 Cb 1.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.41 1oqa h GLN 26 CO 0.08 0.65 -0.02 1.25 -1.93 0.00 0.00 178.83 178.86 1oqa h LEU 27 N 0.00 -0.04 -1.84 -2.39 5.85 -1.86 -1.89 115.31 113.13 1oqa h LEU 27 Ca -0.01 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 1oqa h LEU 27 Cb 1.28 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1oqa h LEU 27 CO 0.08 0.55 -0.14 1.05 -0.34 0.00 0.00 178.44 179.64 1oqa h GLU 28 N -0.66 0.00 0.01 1.25 4.11 -1.60 -2.00 114.58 115.69 1oqa h GLU 28 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1oqa h GLU 28 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1oqa h GLU 28 CO 0.01 0.14 -0.00 2.35 0.07 0.00 0.00 179.01 181.57 1oqa h TRP 29 N 0.00 -0.01 -0.41 2.06 7.01 -1.42 -1.40 115.95 121.78 1oqa h TRP 29 Ca -0.00 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 1oqa h TRP 29 Cb 0.29 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.29 1oqa h TRP 29 CO 0.00 0.48 0.04 0.52 -2.79 0.00 0.00 178.44 176.69 1oqa h MET 30 N -0.51 0.15 -0.48 2.65 2.86 -0.90 0.30 114.93 119.00 1oqa h MET 30 Ca -0.00 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1oqa h MET 30 Cb 0.50 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1oqa h MET 30 CO 0.00 0.10 0.25 -0.39 1.06 0.00 0.00 176.91 177.93 1oqa h VAL 31 N 0.16 1.18 -0.61 -2.22 -1.51 -1.40 -1.78 116.25 110.06 1oqa h VAL 31 Ca 0.20 -0.47 0.05 0.00 -1.23 0.00 0.00 66.70 65.25 1oqa h VAL 31 Cb 0.27 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.01 1oqa h VAL 31 CO -0.30 0.19 0.40 1.56 -1.23 0.00 0.00 177.57 178.19 1oqa h GLN 32 N 0.63 0.64 0.00 5.19 4.20 -0.25 0.15 115.11 125.67 1oqa h GLN 32 Ca 0.17 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1oqa h GLN 32 Cb 0.08 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1oqa h GLN 32 CO -0.02 0.42 -0.05 1.25 -0.67 0.00 0.00 178.83 179.76 1oqa h LEU 33 N 0.66 0.00 -0.83 1.46 5.85 0.39 -2.59 115.31 120.25 1oqa h LEU 33 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1oqa h LEU 33 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1oqa h LEU 33 CO -0.07 0.05 -0.22 0.00 -0.34 0.00 0.00 178.44 177.85 1oqa n GLY 35 N 1.32 0.98 3.82 0.00 0.00 -0.98 0.86 105.19 111.19 1oqa n GLY 35 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1oqa n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqa n ALA 36 N -0.50 -0.59 -3.24 4.61 0.00 -0.52 -2.52 120.51 117.75 1oqa n ALA 36 Ca 0.00 -1.83 -0.20 0.00 0.00 0.00 0.00 53.44 51.42 1oqa n ALA 36 Cb 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 19.45 19.42 1oqa n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1oqa s SER 37 N -5.37 1.02 -0.26 0.00 0.15 0.40 -4.03 113.70 105.61 1oqa s SER 37 Ca 0.69 -0.15 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 1oqa s SER 37 Cb -0.03 -0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 1oqa s SER 37 CO 0.47 0.02 1.53 0.54 1.20 0.00 0.00 173.24 177.00 1oqa s VAL 38 N 0.43 3.82 -0.08 4.45 0.11 -1.26 -1.78 120.40 126.09 1oqa s VAL 38 Ca -0.06 0.92 -0.15 0.00 -2.93 0.00 0.00 61.98 59.75 1oqa s VAL 38 Cb -0.10 -3.86 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1oqa s VAL 38 CO 0.00 -0.38 0.40 -0.69 -3.33 0.00 0.00 175.10 171.10 1oqa s VAL 39 N 5.07 5.16 0.06 2.04 1.01 -1.18 -4.96 120.40 127.59 1oqa s VAL 39 Ca 0.67 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 63.38 1oqa s VAL 39 Cb -0.22 -3.72 -0.30 0.00 0.00 0.00 0.00 36.38 32.14 1oqa s VAL 39 CO 0.28 0.45 1.08 0.07 0.00 0.00 0.00 175.10 176.98 1oqa h LYS 40 N 5.83 0.32 -5.02 2.72 2.10 -1.94 -3.41 116.57 117.17 1oqa h LYS 40 Ca -0.46 -0.55 -0.35 0.00 -2.00 0.00 0.00 60.65 57.29 1oqa h LYS 40 Cb 1.19 0.20 -0.14 0.00 -0.90 0.00 0.00 32.23 32.58 1oqa h LYS 40 CO 0.69 1.25 -0.66 -1.21 -2.00 0.00 0.00 179.45 177.52 1oqa s GLU 41 N -2.64 1.26 0.15 0.07 2.02 -1.26 -5.04 118.70 113.26 1oqa s GLU 41 Ca -0.06 -1.62 -0.06 0.00 0.02 0.00 0.00 54.97 53.25 1oqa s GLU 41 Cb 0.06 -0.54 -0.02 0.00 0.10 0.00 0.00 34.13 33.73 1oqa s GLU 41 CO 0.89 -0.09 1.39 -0.07 0.02 0.00 0.00 175.26 177.41 1oqa h LEU 42 N 2.55 0.68 0.00 1.80 3.38 -1.97 -2.95 115.31 118.79 1oqa h LEU 42 Ca -0.38 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1oqa h LEU 42 Cb 1.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1oqa h LEU 42 CO 0.64 1.20 0.00 -1.20 0.09 0.00 0.00 178.44 179.17 1oqa n SER 43 N -3.89 0.00 -0.16 -0.43 7.64 -1.26 -2.92 113.62 112.61 1oqa n SER 43 Ca -0.05 -0.01 0.13 0.00 1.01 0.00 0.00 58.87 59.94 1oqa n SER 43 Cb 0.72 -0.30 0.66 0.00 -1.01 0.00 0.00 64.21 64.27 1oqa n SER 43 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1oqa n SER 44 N -1.30 0.48 -4.76 6.43 7.64 -1.12 -4.89 113.62 116.11 1oqa n SER 44 Ca 0.11 -1.33 -0.32 0.00 1.01 0.00 0.00 58.87 58.34 1oqa n SER 44 Cb 0.20 -0.02 0.08 0.00 -1.01 0.00 0.00 64.21 63.46 1oqa n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oqa s PHE 45 N -1.97 2.45 -0.22 1.43 0.08 -1.15 -4.57 117.98 114.03 1oqa s PHE 45 Ca 0.37 1.58 -0.07 0.00 0.12 0.00 0.00 56.93 58.93 1oqa s PHE 45 Cb 0.18 -3.18 0.03 0.00 -0.57 0.00 0.00 43.02 39.48 1oqa s PHE 45 CO 0.30 -1.94 0.15 2.41 -0.10 0.00 0.00 175.22 176.03 1oqa n THR 46 N -3.02-11.87 -0.10 0.64 -1.04 -1.26 -4.99 114.28 92.65 1oqa n THR 46 Ca 0.10 2.26 -0.11 0.00 -2.04 0.00 0.00 64.05 64.26 1oqa n THR 46 Cb 0.52 -6.48 -0.14 0.00 -1.82 0.00 0.00 70.33 62.40 1oqa n THR 46 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1oqa n LEU 47 N 1.22 0.73 0.00 -4.42 -0.00 -1.26 -5.01 117.00 108.26 1oqa n LEU 47 Ca -0.25 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.73 1oqa n LEU 47 Cb 0.38 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1oqa n LEU 47 CO 0.39 0.58 0.00 0.61 -0.00 0.00 0.00 177.39 178.97 1oqa n GLY 48 N 1.95 1.55 1.18 -3.96 0.00 -1.26 -5.10 105.19 99.54 1oqa n GLY 48 Ca -0.34 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1oqa n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oqa n THR 49 N 0.00 0.00 -2.61 2.61 -1.04 -1.26 -4.95 114.28 107.03 1oqa n THR 49 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 1oqa n THR 49 Cb 0.00 -0.29 0.01 0.00 -1.82 0.00 0.00 70.33 68.23 1oqa n THR 49 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1oqa n GLY 50 N 1.47 4.95 3.00 3.41 0.00 -1.26 -4.91 105.19 111.86 1oqa n GLY 50 Ca 0.00 -2.34 -0.13 0.00 0.00 0.00 0.00 46.02 43.55 1oqa n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oqa s VAL 51 N -0.97 -0.25 -0.23 1.61 1.01 -1.25 -4.47 120.40 115.85 1oqa s VAL 51 Ca 0.36 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.41 1oqa s VAL 51 Cb 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1oqa s VAL 51 CO 0.05 0.10 0.44 -1.00 0.00 0.00 0.00 175.10 174.68 1oqa s HIS 52 N 1.94 3.31 -0.08 5.22 3.76 0.18 -4.75 115.29 124.87 1oqa s HIS 52 Ca -0.03 0.59 -0.29 0.00 -0.15 0.00 0.00 55.06 55.18 1oqa s HIS 52 Cb -0.11 -2.61 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1oqa s HIS 52 CO -0.08 -0.15 0.96 -1.25 -0.85 0.00 0.00 174.74 173.37 1oqa s PRO 53 N 1.80 4.45 0.07 8.40 0.04 -1.26 0.64 135.00 149.15 1oqa s PRO 53 Ca 0.19 1.33 -0.04 0.00 0.04 0.00 0.00 61.00 62.52 1oqa s PRO 53 Cb -0.15 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 1oqa s PRO 53 CO 0.09 -0.22 0.07 0.42 0.04 0.00 0.00 177.00 177.40 1oqa s ILE 54 N 1.68 0.18 0.02 0.56 -1.09 0.32 -4.32 121.20 118.54 1oqa s ILE 54 Ca 0.48 -1.56 -0.04 0.00 -2.23 0.00 0.00 60.65 57.30 1oqa s ILE 54 Cb -0.19 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1oqa s ILE 54 CO 0.20 -0.81 0.05 -0.69 -1.23 0.00 0.00 174.94 172.46 1oqa s VAL 55 N -3.91 0.11 0.24 2.92 1.01 0.38 -2.67 120.40 118.49 1oqa s VAL 55 Ca 0.08 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.26 1oqa s VAL 55 Cb 0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1oqa s VAL 55 CO -0.09 -0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 173.68 1oqa s VAL 56 N -1.72 2.80 0.29 2.92 1.01 0.13 -0.94 120.40 124.90 1oqa s VAL 56 Ca -0.13 -2.10 -0.00 0.00 0.00 0.00 0.00 61.98 59.75 1oqa s VAL 56 Cb -0.07 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1oqa s VAL 56 CO -0.01 -0.29 0.38 1.33 0.00 0.00 0.00 175.10 176.51 1oqa n VAL 57 N -0.41 0.00 0.00 2.92 0.24 0.35 -2.89 118.33 118.54 1oqa n VAL 57 Ca -0.08 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.62 1oqa n VAL 57 Cb 0.58 0.95 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1oqa n VAL 57 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1oqa n GLN 58 N -0.50 0.00 -1.04 7.34 0.00 -1.26 -3.16 117.38 118.76 1oqa n GLN 58 Ca 0.02 0.00 -0.30 0.00 -0.00 0.00 0.00 57.00 56.71 1oqa n GLN 58 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.71 1oqa n GLN 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1oqa n PRO 59 N 0.00 2.91 -0.04 3.69 -0.04 -1.26 -4.04 135.00 136.22 1oqa n PRO 59 Ca 0.00 -1.81 -0.07 0.00 -0.04 0.00 0.00 63.50 61.58 1oqa n PRO 59 Cb 0.00 -2.61 -0.04 0.00 -0.04 0.00 0.00 33.50 30.82 1oqa n PRO 59 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1oqa n ASP 60 N 3.79 2.83 -0.66 3.54 9.92 -1.26 -4.73 116.55 129.99 1oqa n ASP 60 Ca 0.62 -0.02 0.05 0.00 -0.53 0.00 0.00 54.79 54.91 1oqa n ASP 60 Cb 0.21 -0.16 0.21 0.00 -0.64 0.00 0.00 41.12 40.74 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1oqa n ALA 61 N -2.88 3.73 -0.13 2.24 0.00 -0.22 -4.71 120.51 118.54 1oqa n ALA 61 Ca -0.16 -3.31 -0.27 0.00 0.00 0.00 0.00 53.44 49.70 1oqa n ALA 61 Cb 0.66 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.63 1oqa n ALA 61 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1oqa n TRP 62 N -1.11 0.24 -1.46 0.00 7.02 -1.26 -4.78 117.44 116.09 1oqa n TRP 62 Ca 0.20 0.10 0.08 0.00 -1.02 0.00 0.00 57.50 56.86 1oqa n TRP 62 Cb 0.72 -1.02 -0.05 0.00 -2.42 0.00 0.00 31.31 28.54 1oqa n TRP 62 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1oqa n THR 63 N -4.20 -1.90 -2.56 -0.99 -1.04 -1.26 -4.51 114.28 97.82 1oqa n THR 63 Ca -0.49 1.18 -0.42 0.00 -2.04 0.00 0.00 64.05 62.28 1oqa n THR 63 Cb 0.86 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 1oqa n THR 63 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1oqa s GLU 64 N -4.85 3.73 0.19 -2.82 2.02 -1.26 -4.48 118.70 111.23 1oqa s GLU 64 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1oqa s GLU 64 Cb 0.00 -5.42 0.00 0.00 0.10 0.00 0.00 34.13 28.81 1oqa s GLU 64 CO 0.00 -2.24 0.00 -0.25 0.02 0.00 0.00 175.26 172.79 1oqa n ASP 65 N 8.75 0.26 -0.02 -0.19 8.00 -1.26 -4.94 116.55 127.15 1oqa n ASP 65 Ca 0.39 0.31 -0.19 0.00 0.71 0.00 0.00 54.79 56.01 1oqa n ASP 65 Cb 0.49 0.12 -0.14 0.00 -0.02 0.00 0.00 41.12 41.57 1oqa n ASP 65 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1oqa h ASN 66 N 0.00 0.26 0.00 -2.24 -0.00 -1.88 -3.50 115.58 108.22 1oqa h ASN 66 Ca 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 56.30 55.44 1oqa h ASN 66 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.24 1oqa h ASN 66 CO 0.00 1.39 0.00 0.61 -0.00 0.00 0.00 177.43 179.43 1oqa n GLY 67 N 1.64 2.57 1.18 1.57 0.00 -1.26 -5.02 105.19 105.87 1oqa n GLY 67 Ca -0.20 -0.63 0.11 0.00 0.00 0.00 0.00 46.02 45.31 1oqa n GLY 67 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oqa n PHE 68 N 0.00 0.66 -1.51 1.61 7.35 -1.26 -4.56 117.46 119.76 1oqa n PHE 68 Ca 0.00 -0.35 -0.28 0.00 -0.76 0.00 0.00 57.45 56.06 1oqa n PHE 68 Cb 0.00 -0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.78 1oqa n PHE 68 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 1oqa n HIS 69 N 1.47 1.72 -2.27 -5.13 -0.00 -1.26 -3.96 115.22 105.78 1oqa n HIS 69 Ca 0.20 -1.98 -0.02 0.00 0.46 0.00 0.00 57.72 56.39 1oqa n HIS 69 Cb 0.59 -1.35 0.03 0.00 -0.12 0.00 0.00 29.99 29.14 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1oqa n ALA 70 N 0.73 0.84 0.13 1.57 0.00 -1.26 -5.01 120.51 117.51 1oqa n ALA 70 Ca 0.49 -0.46 -0.06 0.00 0.00 0.00 0.00 53.44 53.40 1oqa n ALA 70 Cb 0.53 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1oqa n ALA 70 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1oqa h ILE 71 N 2.30 0.00 -0.07 0.00 1.08 -1.92 -2.30 117.51 116.61 1oqa h ILE 71 Ca -0.26 -0.54 0.02 0.00 -0.39 0.00 0.00 64.86 63.69 1oqa h ILE 71 Cb 1.09 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 1oqa h ILE 71 CO -0.12 0.00 0.06 1.23 -0.69 0.00 0.00 178.15 178.63 1oqa h GLY 72 N -0.94 0.00 2.00 5.37 0.00 -1.92 0.24 103.07 107.82 1oqa h GLY 72 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1oqa h GLY 72 CO 0.07 0.00 -0.30 1.46 0.00 0.00 0.00 176.54 177.77 1oqa h GLN 73 N 0.00 0.00 0.00 4.80 1.08 -1.95 -3.27 115.11 115.77 1oqa h GLN 73 Ca 0.03 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.94 1oqa h GLN 73 Cb 0.16 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.53 1oqa h GLN 73 CO -0.00 0.30 -1.92 -0.12 -0.95 0.00 0.00 178.83 176.14 1oqa n MET 74 N -3.21 0.65 -4.28 1.46 1.56 -0.04 -4.94 117.12 108.32 1oqa n MET 74 Ca 0.02 0.17 -0.29 0.00 -0.27 0.00 0.00 57.70 57.33 1oqa n MET 74 Cb 0.62 -1.69 -0.10 0.00 2.15 0.00 0.00 33.22 34.19 1oqa n MET 74 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1oqa n GLU 76 N 0.52 0.64 -2.35 0.00 1.02 -1.26 -4.57 120.64 114.64 1oqa n GLU 76 Ca -0.13 0.11 -0.29 0.00 -0.02 0.00 0.00 57.16 56.82 1oqa n GLU 76 Cb 0.54 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1oqa s ALA 77 N -2.90 3.27 0.51 0.62 0.00 -1.26 -5.05 121.76 116.95 1oqa s ALA 77 Ca -0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 51.96 51.39 1oqa s ALA 77 Cb 0.09 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.34 1oqa s ALA 77 CO 0.83 -0.46 1.18 -1.25 0.00 0.00 0.00 175.76 176.07 1oqa s PRO 78 N -4.83 3.45 -0.12 0.00 0.04 -1.26 -4.69 135.00 127.59 1oqa s PRO 78 Ca 0.51 1.79 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1oqa s PRO 78 Cb -0.11 -2.20 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 1oqa s PRO 78 CO 0.47 -0.81 -0.20 0.14 0.04 0.00 0.00 177.00 176.64 1oqa s VAL 79 N -1.59 2.37 0.04 -0.36 -7.23 -1.25 0.14 120.40 112.53 1oqa s VAL 79 Ca 0.69 -0.90 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 1oqa s VAL 79 Cb -0.29 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 1oqa s VAL 79 CO 0.34 0.54 -0.03 0.68 -0.31 0.00 0.00 175.10 176.32 1oqa s VAL 80 N 0.46 0.19 0.74 1.32 -7.23 -0.12 -1.93 120.40 113.84 1oqa s VAL 80 Ca -0.14 -1.54 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 1oqa s VAL 80 Cb -0.17 -1.15 0.04 0.00 0.56 0.00 0.00 36.38 35.67 1oqa s VAL 80 CO 0.06 -0.85 1.09 0.42 -0.31 0.00 0.00 175.10 175.51 1oqa s THR 81 N -3.19 3.36 0.64 5.32 -4.23 -0.25 0.13 115.64 117.42 1oqa s THR 81 Ca 0.00 0.48 0.28 0.00 -1.18 0.00 0.00 61.69 61.27 1oqa s THR 81 Cb 0.03 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.19 1oqa s THR 81 CO -0.07 -0.54 1.85 0.08 -0.54 0.00 0.00 174.62 175.40 1oqa h ARG 82 N -0.85 0.00 -0.87 3.99 -0.00 -1.91 -1.61 114.38 113.13 1oqa h ARG 82 Ca -0.44 0.00 0.22 0.00 -0.00 0.00 0.00 59.98 59.76 1oqa h ARG 82 Cb 1.23 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.07 1oqa h ARG 82 CO 0.52 0.00 0.31 0.93 -0.00 0.00 0.00 179.97 181.73 1oqa h GLU 83 N 0.00 0.30 0.32 0.08 4.39 -1.91 0.12 114.58 117.88 1oqa h GLU 83 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1oqa h GLU 83 Cb 0.96 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 1oqa h GLU 83 CO -0.00 0.20 -0.39 2.35 -1.16 0.00 0.00 179.01 180.01 1oqa h TRP 84 N 0.31 -1.07 -0.55 4.33 7.01 -1.64 0.91 115.95 125.26 1oqa h TRP 84 Ca 0.54 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.64 1oqa h TRP 84 Cb 1.05 0.43 -0.07 0.00 -2.10 0.00 0.00 29.16 28.46 1oqa h TRP 84 CO -0.20 -0.53 0.16 0.28 -2.79 0.00 0.00 178.44 175.36 1oqa h VAL 85 N -0.75 0.74 -0.02 2.65 2.07 -1.21 0.66 116.25 120.40 1oqa h VAL 85 Ca -0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1oqa h VAL 85 Cb 0.70 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1oqa h VAL 85 CO -0.11 0.06 -0.00 0.25 0.02 0.00 0.00 177.57 177.79 1oqa h LEU 86 N 0.31 0.03 -1.54 2.57 6.46 -0.44 0.29 115.31 122.99 1oqa h LEU 86 Ca 0.28 -0.31 -0.02 0.00 -0.12 0.00 0.00 57.88 57.71 1oqa h LEU 86 Cb 0.36 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1oqa h LEU 86 CO -0.32 0.33 0.08 -0.78 -0.62 0.00 0.00 178.44 177.13 1oqa h ASP 87 N -0.27 0.34 0.02 1.25 1.82 0.13 0.56 116.42 120.27 1oqa h ASP 87 Ca 0.00 -0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.52 1oqa h ASP 87 Cb 0.32 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.25 1oqa h ASP 87 CO 0.00 0.34 -0.37 0.28 -1.61 0.00 0.00 179.24 177.88 1oqa h SER 88 N 0.38 0.29 0.43 2.28 0.02 0.50 -2.85 113.55 114.59 1oqa h SER 88 Ca 0.09 -0.83 -0.13 0.00 -0.84 0.00 0.00 61.79 60.08 1oqa h SER 88 Cb 0.13 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1oqa h SER 88 CO -0.01 1.09 -0.55 0.58 -1.14 0.00 0.00 176.83 176.80 1oqa h VAL 89 N -0.48 1.38 0.63 2.27 2.07 -0.21 1.08 116.25 123.00 1oqa h VAL 89 Ca -0.05 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1oqa h VAL 89 Cb 1.17 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1oqa h VAL 89 CO 0.07 0.55 -0.30 0.00 0.02 0.00 0.00 177.57 177.90 1oqa h ALA 90 N 1.34 -0.88 0.00 1.67 0.00 0.03 -3.29 119.26 118.13 1oqa h ALA 90 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oqa h ALA 90 Cb 1.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1oqa h ALA 90 CO 0.08 -0.82 -0.25 1.25 0.00 0.00 0.00 179.25 179.52 1oqa h LEU 91 N -1.19 0.00 -2.70 0.00 5.85 -1.58 -3.49 115.31 112.19 1oqa h LEU 91 Ca -0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1oqa h LEU 91 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1oqa h LEU 91 CO 0.14 0.00 -0.15 0.00 -0.34 0.00 0.00 178.44 178.10 1oqa n TYR 92 N -2.92 -1.43 -3.65 1.25 4.19 0.36 -5.06 117.16 109.90 1oqa n TYR 92 Ca 0.03 0.57 0.00 0.00 3.31 0.00 0.00 57.90 61.81 1oqa n TYR 92 Cb 0.53 -2.61 -0.06 0.00 0.49 0.00 0.00 39.34 37.68 1oqa n TYR 92 CO 0.00 0.00 0.00 -1.14 0.91 0.00 0.00 176.86 176.63 1oqa s GLN 93 N -2.10 0.09 -1.03 2.98 0.74 -0.50 -4.93 119.66 114.92 1oqa s GLN 93 Ca 0.07 0.14 -0.25 0.00 0.05 0.00 0.00 55.36 55.37 1oqa s GLN 93 Cb -0.02 0.03 -0.14 0.00 1.10 0.00 0.00 33.01 33.97 1oqa s GLN 93 CO 0.33 -0.02 2.10 0.00 -0.55 0.00 0.00 175.29 177.15 1oqa s GLN 95 N 7.79 -0.25 0.12 0.00 -1.52 -1.26 -4.96 119.66 119.58 1oqa s GLN 95 Ca 0.78 0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 54.64 1oqa s GLN 95 Cb -0.06 -1.64 -0.06 0.00 -0.22 0.00 0.00 33.01 31.03 1oqa s GLN 95 CO 0.12 -3.25 1.06 -1.83 -0.25 0.00 0.00 175.29 171.14 1oqa s GLU 96 N -4.68 4.60 0.20 2.91 1.03 -1.26 -4.95 118.70 116.55 1oqa s GLU 96 Ca 0.67 1.61 0.05 0.00 0.03 0.00 0.00 54.97 57.33 1oqa s GLU 96 Cb -0.22 -3.34 0.12 0.00 -0.80 0.00 0.00 34.13 29.89 1oqa s GLU 96 CO 0.61 0.05 1.46 -0.07 -1.33 0.00 0.00 175.26 175.99 1oqa h LEU 97 N 5.72 0.19 -2.34 1.83 4.07 -1.97 -3.12 115.31 119.69 1oqa h LEU 97 Ca -0.43 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.42 1oqa h LEU 97 Cb 1.21 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 1oqa h LEU 97 CO 0.74 0.88 0.20 0.44 -1.08 0.00 0.00 178.44 179.62 1oqa h ASP 98 N 0.10 0.00 1.31 -0.43 5.19 -1.94 0.38 116.42 121.02 1oqa h ASP 98 Ca -0.02 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1oqa h ASP 98 Cb 1.34 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 1oqa h ASP 98 CO 0.11 0.00 -0.05 0.74 -3.12 0.00 0.00 179.24 176.93 1oqa h THR 99 N 0.00 0.10 0.00 0.35 2.02 -1.96 -3.29 112.91 110.14 1oqa h THR 99 Ca 0.05 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.29 1oqa h THR 99 Cb 0.45 1.72 -0.32 0.00 -1.74 0.00 0.00 68.15 68.25 1oqa h THR 99 CO -0.00 0.04 -0.94 -1.22 0.37 0.00 0.00 175.52 173.77 1oqa n TYR 100 N -3.14 0.00 -3.19 3.16 4.02 0.46 -5.08 117.16 113.40 1oqa n TYR 100 Ca 0.02 -0.41 -0.31 0.00 -0.01 0.00 0.00 57.90 57.18 1oqa n TYR 100 Cb 0.40 -0.13 -0.05 0.00 -0.02 0.00 0.00 39.34 39.55 1oqa n TYR 100 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1oqa s LEU 101 N 0.00 4.03 0.62 7.72 0.20 0.10 -1.09 118.68 130.26 1oqa s LEU 101 Ca 0.28 1.02 -0.19 0.00 0.69 0.00 0.00 54.13 55.93 1oqa s LEU 101 Cb 0.32 -3.83 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 1oqa s LEU 101 CO -0.14 -0.22 1.29 0.27 -0.29 0.00 0.00 176.35 177.27 1oqa s ILE 102 N -2.06 2.15 1.09 6.68 -5.25 -0.81 -4.96 121.20 118.04 1oqa s ILE 102 Ca 0.49 0.10 -0.18 0.00 -0.99 0.00 0.00 60.65 60.07 1oqa s ILE 102 Cb -0.11 -3.04 0.26 0.00 2.95 0.00 0.00 42.46 42.53 1oqa s ILE 102 CO 0.25 -0.02 1.15 -0.81 -1.79 0.00 0.00 174.94 173.72 1oqa n PRO 103 N -1.66 -2.34 -2.94 0.37 -0.04 -1.26 -5.03 135.00 122.10 1oqa n PRO 103 Ca 0.14 -1.80 0.01 0.00 -0.04 0.00 0.00 63.50 61.81 1oqa n PRO 103 Cb 0.48 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1oqa n PRO 103 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1oqa s GLN 104 N -5.56 0.42 -0.12 0.54 2.00 -1.26 -5.04 119.66 110.64 1oqa s GLN 104 Ca 0.70 -0.13 -0.29 0.00 -2.00 0.00 0.00 55.36 53.63 1oqa s GLN 104 Cb -0.05 0.05 -0.02 0.00 0.80 0.00 0.00 33.01 33.79 1oqa s GLN 104 CO 0.52 -0.61 1.27 0.96 -0.50 0.00 0.00 175.29 176.93 1oqa s ILE 105 N 1.92 4.22 0.24 -2.34 -4.36 -1.26 -4.92 121.20 114.70 1oqa s ILE 105 Ca 0.15 1.50 0.09 0.00 -0.26 0.00 0.00 60.65 62.13 1oqa s ILE 105 Cb 0.00 -3.97 -0.07 0.00 1.25 0.00 0.00 42.46 39.68 1oqa s ILE 105 CO -0.12 -0.09 1.54 1.55 0.24 0.00 0.00 174.94 178.06 1oqa h PRO 106 N 8.04 0.02 -5.98 0.37 0.13 -2.06 -3.44 132.00 129.09 1oqa h PRO 106 Ca -0.30 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.20 1oqa h PRO 106 Cb 1.13 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.21 1oqa h PRO 106 CO 0.94 0.71 -0.32 -1.58 -0.23 0.00 0.00 178.00 177.52 1oqa s HIS 107 N -3.44 3.60 -0.78 1.56 2.46 -1.26 -5.05 115.29 112.37 1oqa s HIS 107 Ca -0.01 0.70 -0.01 0.00 0.47 0.00 0.00 55.06 56.21 1oqa s HIS 107 Cb 0.12 -2.08 0.19 0.00 -0.13 0.00 0.00 32.58 30.68 1oqa s HIS 107 CO 0.78 0.59 0.63 0.45 -2.47 0.00 0.00 174.74 174.71 1oqa s SER 108 N -1.62 5.54 -0.16 9.88 0.15 -1.26 -5.01 113.70 121.22 1oqa s SER 108 Ca 0.28 -3.51 -0.04 0.00 0.70 0.00 0.00 55.95 53.38 1oqa s SER 108 Cb -0.14 -1.84 0.06 0.00 -1.71 0.00 0.00 66.02 62.39 1oqa s SER 108 CO 0.16 -0.21 0.07 -1.00 1.20 0.00 0.00 173.24 173.46 1oqa s HIS 109 N -1.02 0.38 0.00 3.44 3.76 -1.26 -5.29 115.29 115.29 1oqa s HIS 109 Ca 0.24 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.78 1oqa s HIS 109 Cb -0.11 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.84 1oqa s HIS 109 CO -0.11 -0.49 0.00 0.66 -0.85 0.00 0.00 174.74 173.95