#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 5.68 -0.56 1.61 1.04 -1.26 -5.05 113.70 115.15 1oqa s SER 2 Ca 0.00 0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 1oqa s SER 2 Cb 0.00 -1.56 0.01 0.00 0.10 0.00 0.00 66.02 64.57 1oqa s SER 2 CO 0.00 0.15 1.42 -1.10 0.98 0.00 0.00 173.24 174.70 1oqa s GLN 3 N -2.54 3.29 0.00 4.02 -0.21 -1.26 -4.57 119.66 118.39 1oqa s GLN 3 Ca 0.31 0.46 0.00 0.00 0.02 0.00 0.00 55.36 56.15 1oqa s GLN 3 Cb -0.12 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.76 1oqa s GLN 3 CO 0.23 -1.95 0.00 -0.25 -2.12 0.00 0.00 175.29 171.20 1oqa n ASP 4 N 9.63 0.00 -3.37 5.90 9.92 -1.26 -5.03 116.55 132.35 1oqa n ASP 4 Ca 0.13 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.14 1oqa n ASP 4 Cb 0.49 0.04 -0.10 0.00 -0.64 0.00 0.00 41.12 40.92 1oqa n ASP 4 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1oqa s ARG 5 N -1.37 0.76 0.40 -1.24 3.52 -1.26 -5.13 118.95 114.62 1oqa s ARG 5 Ca 0.00 -1.62 -0.10 0.00 -0.13 0.00 0.00 55.73 53.88 1oqa s ARG 5 Cb 0.00 -1.18 -0.06 0.00 -1.56 0.00 0.00 34.95 32.14 1oqa s ARG 5 CO 0.00 -1.30 0.76 0.15 -0.81 0.00 0.00 175.30 174.09 1oqa s LYS 6 N 0.63 3.78 -0.04 5.12 -0.14 -1.26 -5.00 119.74 122.82 1oqa s LYS 6 Ca 0.26 0.45 0.20 0.00 -1.36 0.00 0.00 55.97 55.52 1oqa s LYS 6 Cb -0.08 -2.41 -0.30 0.00 -1.68 0.00 0.00 37.83 33.37 1oqa s LYS 6 CO -0.10 -0.02 0.40 0.44 -0.76 0.00 0.00 175.35 175.32 1oqa n ILE 7 N -1.25 0.11 -0.10 2.17 -5.35 0.16 -4.59 119.36 110.53 1oqa n ILE 7 Ca 0.02 -0.48 -0.24 0.00 -0.27 0.00 0.00 62.75 61.78 1oqa n ILE 7 Cb 0.54 -0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.32 1oqa n ILE 7 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1oqa n PHE 8 N -2.23 0.69 -3.19 4.28 3.72 0.27 -4.25 117.46 116.76 1oqa n PHE 8 Ca -0.06 0.26 -0.07 0.00 -0.05 0.00 0.00 57.45 57.53 1oqa n PHE 8 Cb 0.57 -1.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.04 1oqa n PHE 8 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1oqa n ARG 9 N -4.17 -0.96 -1.23 -1.08 0.00 -1.24 -4.52 116.66 103.45 1oqa n ARG 9 Ca -0.40 1.14 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1oqa n ARG 9 Cb 0.81 -1.77 0.00 0.00 0.00 0.00 0.00 32.46 31.51 1oqa n ARG 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1oqa n GLY 10 N 0.92 -0.19 3.20 5.14 0.00 -1.20 -4.90 105.19 108.16 1oqa n GLY 10 Ca -0.01 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.43 1.59 -0.18 0.99 0.20 -1.26 -2.89 118.68 115.71 1oqa s LEU 11 Ca 0.00 -0.89 -0.04 0.00 0.69 0.00 0.00 54.13 53.89 1oqa s LEU 11 Cb 0.00 0.76 0.06 0.00 -0.43 0.00 0.00 46.19 46.58 1oqa s LEU 11 CO 0.00 -0.74 0.08 -1.61 -0.29 0.00 0.00 176.35 173.78 1oqa s GLU 12 N -3.94 0.23 -0.00 1.98 2.02 0.15 0.16 118.70 119.31 1oqa s GLU 12 Ca 0.12 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.98 1oqa s GLU 12 Cb 0.06 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.37 1oqa s GLU 12 CO -0.05 -0.67 -0.18 0.42 0.02 0.00 0.00 175.26 174.79 1oqa s ILE 13 N 2.06 1.45 0.07 -1.63 1.01 -0.63 0.19 121.20 123.72 1oqa s ILE 13 Ca 0.01 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.88 1oqa s ILE 13 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1oqa s ILE 13 CO -0.09 0.35 -0.19 0.00 0.00 0.00 0.00 174.94 175.01 1oqa s TYR 16 N 1.56 3.26 0.00 0.00 6.14 -0.62 -4.93 117.35 122.75 1oqa s TYR 16 Ca 0.03 0.55 0.00 0.00 0.64 0.00 0.00 57.07 58.29 1oqa s TYR 16 Cb -0.18 -2.67 0.00 0.00 0.42 0.00 0.00 41.96 39.54 1oqa s TYR 16 CO 0.05 -0.26 0.00 0.41 0.64 0.00 0.00 175.55 176.39 1oqa n GLY 17 N 4.50 -0.83 0.09 8.97 0.00 -1.26 -4.53 105.19 112.13 1oqa n GLY 17 Ca -0.06 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.91 1.12 0.00 1.61 -0.04 -1.26 -4.84 135.00 130.68 1oqa n PRO 18 Ca 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1oqa n PRO 18 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 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 -0.73 0.00 0.05 0.54 3.01 -1.26 -4.09 117.46 114.98 1oqa n PHE 19 Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1oqa n PHE 19 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1oqa n PHE 19 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1oqa n THR 20 N 0.00 0.00 -0.03 4.37 5.66 -1.26 -1.94 114.28 121.08 1oqa n THR 20 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1oqa n THR 20 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1oqa n THR 20 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1oqa n ASN 21 N -2.73 3.52 -4.77 1.09 4.13 -1.26 -4.98 115.26 110.26 1oqa n ASN 21 Ca 0.00 -0.03 -0.41 0.00 1.68 0.00 0.00 54.58 55.82 1oqa n ASN 21 Cb 0.00 -0.06 -0.01 0.00 -1.54 0.00 0.00 39.78 38.18 1oqa n ASN 21 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 1oqa s MET 22 N -2.13 4.13 0.00 3.52 -1.94 -1.26 -4.89 119.30 116.74 1oqa s MET 22 Ca -0.08 2.55 0.13 0.00 -1.71 0.00 0.00 55.69 56.58 1oqa s MET 22 Cb 0.02 -3.00 0.79 0.00 2.01 0.00 0.00 34.83 34.65 1oqa s MET 22 CO 0.15 -0.55 1.51 -0.35 -0.01 0.00 0.00 175.02 175.78 1oqa n PRO 23 N 1.17 1.01 0.00 2.03 -0.04 -1.26 -4.65 135.00 133.26 1oqa n PRO 23 Ca 0.04 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1oqa n PRO 23 Cb 0.39 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1oqa n PRO 23 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1oqa n THR 24 N -0.69 0.00 0.03 0.52 -1.04 -1.26 -4.66 114.28 107.19 1oqa n THR 24 Ca 0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.05 1oqa n THR 24 Cb 0.05 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.45 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 0.40 8.00 5.19 -1.99 -3.12 116.42 124.90 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 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1oqa h ASP 25 CO 0.00 0.92 -0.59 -0.61 -3.12 0.00 0.00 179.24 175.84 1oqa h GLN 26 N 0.00 0.19 0.01 3.56 4.15 -1.95 -2.41 115.11 118.66 1oqa h GLN 26 Ca -0.12 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1oqa h GLN 26 Cb 1.81 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1oqa h GLN 26 CO 0.10 0.72 -0.01 1.25 -1.93 0.00 0.00 178.83 178.96 1oqa h LEU 27 N 0.14 -0.02 -2.25 -2.39 5.85 -1.94 -2.90 115.31 111.80 1oqa h LEU 27 Ca -0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1oqa h LEU 27 Cb 1.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1oqa h LEU 27 CO 0.09 0.53 0.01 -0.33 -0.34 0.00 0.00 178.44 178.40 1oqa h GLU 28 N -0.57 0.00 0.01 1.25 5.08 -1.56 -1.91 114.58 116.89 1oqa h GLU 28 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oqa h GLU 28 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1oqa h GLU 28 CO 0.00 0.00 -0.00 2.35 -1.00 0.00 0.00 179.01 180.36 1oqa h TRP 29 N 0.00 -0.01 -0.37 4.33 7.01 -1.33 -1.71 115.95 123.89 1oqa h TRP 29 Ca 0.01 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.08 1oqa h TRP 29 Cb 0.03 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 27.01 1oqa h TRP 29 CO 0.00 0.24 -0.16 0.52 -2.79 0.00 0.00 178.44 176.24 1oqa h MET 30 N -0.25 -0.10 -0.45 2.65 2.86 -1.15 0.19 114.93 118.68 1oqa h MET 30 Ca -0.00 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1oqa h MET 30 Cb 0.25 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 1oqa h MET 30 CO 0.00 -0.06 0.28 -0.39 1.06 0.00 0.00 176.91 177.80 1oqa h VAL 31 N -0.10 1.08 -0.53 -2.22 -1.51 -1.46 -1.25 116.25 110.26 1oqa h VAL 31 Ca 0.18 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 65.50 1oqa h VAL 31 Cb 0.38 0.45 -0.03 0.00 -2.13 0.00 0.00 31.29 29.96 1oqa h VAL 31 CO -0.43 0.10 0.35 -0.61 -1.23 0.00 0.00 177.57 175.76 1oqa h GLN 32 N 0.58 0.55 0.00 5.19 -0.00 -0.32 0.19 115.11 121.30 1oqa h GLN 32 Ca 0.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1oqa h GLN 32 Cb -0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.33 1oqa h GLN 32 CO -0.06 0.36 -0.05 1.25 0.00 0.00 0.00 178.83 180.33 1oqa h LEU 33 N 0.57 0.00 -0.85 -2.39 5.85 0.49 -2.50 115.31 116.47 1oqa h LEU 33 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 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 -0.06 0.05 -0.21 0.00 -0.34 0.00 0.00 178.44 177.88 1oqa n GLY 35 N 1.32 2.55 3.65 0.00 0.00 -0.94 0.98 105.19 112.74 1oqa n GLY 35 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1oqa n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oqa s ALA 36 N -2.30 0.83 -0.05 4.61 0.00 -0.78 -3.25 121.76 120.83 1oqa s ALA 36 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.28 1oqa s ALA 36 Cb 0.00 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1oqa s ALA 36 CO 0.00 -3.23 -0.24 0.45 0.00 0.00 0.00 175.76 172.74 1oqa s SER 37 N -3.79 2.94 -0.04 0.00 0.15 0.42 -3.88 113.70 109.49 1oqa s SER 37 Ca 0.69 -0.49 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 1oqa s SER 37 Cb -0.13 -0.79 -0.04 0.00 -1.71 0.00 0.00 66.02 63.35 1oqa s SER 37 CO 0.56 0.23 1.38 0.68 1.20 0.00 0.00 173.24 177.29 1oqa s VAL 38 N -0.15 3.88 -0.25 4.45 -7.23 -1.26 -1.61 120.40 118.23 1oqa s VAL 38 Ca -0.03 1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 61.25 1oqa s VAL 38 Cb -0.13 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 1oqa s VAL 38 CO 0.03 -0.03 0.12 -0.69 -0.31 0.00 0.00 175.10 174.22 1oqa s VAL 39 N 2.76 4.84 0.12 1.32 1.01 -0.53 -4.91 120.40 125.01 1oqa s VAL 39 Ca 0.62 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 1oqa s VAL 39 Cb -0.29 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 1oqa s VAL 39 CO 0.24 0.33 1.73 0.50 0.00 0.00 0.00 175.10 177.90 1oqa h LYS 40 N 7.92 0.06 -4.84 2.72 3.64 -1.94 -3.40 116.57 120.72 1oqa h LYS 40 Ca -0.37 -0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.58 1oqa h LYS 40 Cb 1.18 -0.01 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1oqa h LYS 40 CO 0.60 0.04 -0.51 -1.21 -2.27 0.00 0.00 179.45 176.10 1oqa s GLU 41 N -6.19 1.67 0.04 1.90 0.41 -1.26 -4.93 118.70 110.34 1oqa s GLU 41 Ca -0.13 -1.95 -0.22 0.00 -0.41 0.00 0.00 54.97 52.26 1oqa s GLU 41 Cb 0.09 0.32 -0.15 0.00 -1.78 0.00 0.00 34.13 32.61 1oqa s GLU 41 CO 0.68 -0.61 1.42 -0.07 -0.49 0.00 0.00 175.26 176.19 1oqa h LEU 42 N 2.22 0.19 -2.76 1.80 3.38 -1.95 -2.77 115.31 115.43 1oqa h LEU 42 Ca -0.27 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1oqa h LEU 42 Cb 1.23 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1oqa h LEU 42 CO 0.39 0.51 0.05 0.28 0.09 0.00 0.00 178.44 179.76 1oqa h SER 43 N -0.13 0.00 0.56 -0.43 0.02 -1.97 -0.40 113.55 111.19 1oqa h SER 43 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1oqa h SER 43 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 1oqa h SER 43 CO 0.01 0.00 -0.03 0.28 -1.14 0.00 0.00 176.83 175.95 1oqa h SER 44 N 0.00 0.00 -2.23 3.07 0.02 -1.90 -3.44 113.55 109.07 1oqa h SER 44 Ca 0.01 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 1oqa h SER 44 Cb 0.10 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.71 1oqa h SER 44 CO -0.00 0.03 0.59 0.49 -1.14 0.00 0.00 176.83 176.80 1oqa n PHE 45 N -3.20 1.93 -3.55 3.45 3.72 -0.16 -4.98 117.46 114.68 1oqa n PHE 45 Ca -0.01 0.46 -0.10 0.00 -0.05 0.00 0.00 57.45 57.75 1oqa n PHE 45 Cb 0.22 -2.43 -0.10 0.00 -0.94 0.00 0.00 39.48 36.23 1oqa n PHE 45 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1oqa s THR 46 N 0.35 -0.58 -0.55 4.37 -1.32 -1.26 -5.12 115.64 111.53 1oqa s THR 46 Ca 0.76 0.10 -0.21 0.00 -1.21 0.00 0.00 61.69 61.13 1oqa s THR 46 Cb -0.75 -0.68 0.06 0.00 -1.51 0.00 0.00 72.50 69.63 1oqa s THR 46 CO 0.46 0.00 0.75 -0.22 -2.21 0.00 0.00 174.62 173.40 1oqa s LEU 47 N 2.54 4.77 0.00 9.08 0.20 -1.26 -4.84 118.68 129.18 1oqa s LEU 47 Ca 0.04 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 53.97 1oqa s LEU 47 Cb -0.13 -2.50 0.00 0.00 -0.43 0.00 0.00 46.19 43.13 1oqa s LEU 47 CO -0.13 -1.07 0.00 0.61 -0.29 0.00 0.00 176.35 175.47 1oqa n GLY 48 N 5.20 0.41 0.06 7.98 0.00 -1.26 -5.02 105.19 112.55 1oqa n GLY 48 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1oqa n GLY 48 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1oqa h THR 49 N 0.00 0.00 -2.01 2.61 2.02 -2.03 -3.45 112.91 110.04 1oqa h THR 49 Ca 0.00 -0.98 -0.45 0.00 0.77 0.00 0.00 66.41 65.75 1oqa h THR 49 Cb 0.00 0.00 -0.32 0.00 -1.74 0.00 0.00 68.15 66.09 1oqa h THR 49 CO 0.00 0.00 -0.80 -0.83 0.37 0.00 0.00 175.52 174.26 1oqa s GLY 50 N -3.74 0.38 -0.29 2.16 0.00 -1.26 -5.08 107.32 99.48 1oqa s GLY 50 Ca -0.05 -1.64 -0.01 0.00 0.00 0.00 0.00 44.72 43.02 1oqa s GLY 50 CO 0.07 2.57 0.57 -1.34 0.00 0.00 0.00 173.10 174.98 1oqa s VAL 51 N 0.65 -0.95 -0.06 1.40 -7.23 -1.24 -4.22 120.40 108.75 1oqa s VAL 51 Ca 0.27 -0.01 -0.15 0.00 -1.81 0.00 0.00 61.98 60.29 1oqa s VAL 51 Cb -0.04 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 1oqa s VAL 51 CO -0.11 -0.01 0.38 -1.00 -0.31 0.00 0.00 175.10 174.05 1oqa s HIS 52 N 2.82 3.62 0.19 2.82 0.09 -1.14 -4.46 115.29 119.24 1oqa s HIS 52 Ca 0.20 0.86 -0.29 0.00 -0.00 0.00 0.00 55.06 55.83 1oqa s HIS 52 Cb -0.15 -2.33 -0.08 0.00 -0.00 0.00 0.00 32.58 30.02 1oqa s HIS 52 CO -0.20 0.48 0.92 -1.25 -0.00 0.00 0.00 174.74 174.68 1oqa s PRO 53 N -0.43 4.77 0.01 8.40 0.04 -1.26 0.35 135.00 146.88 1oqa s PRO 53 Ca 0.22 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 1oqa s PRO 53 Cb -0.15 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1oqa s PRO 53 CO 0.10 0.45 0.12 0.42 0.04 0.00 0.00 177.00 178.13 1oqa s ILE 54 N -0.85 0.09 -0.01 0.56 -1.09 0.52 -4.23 121.20 116.18 1oqa s ILE 54 Ca 0.42 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 1oqa s ILE 54 Cb -0.25 -0.51 -0.01 0.00 -1.58 0.00 0.00 42.46 40.12 1oqa s ILE 54 CO 0.30 -0.43 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.78 1oqa s VAL 55 N -1.62 0.90 0.19 2.92 1.01 -0.14 -1.97 120.40 121.69 1oqa s VAL 55 Ca -0.13 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1oqa s VAL 55 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1oqa s VAL 55 CO 0.00 0.26 -0.17 -0.69 0.00 0.00 0.00 175.10 174.50 1oqa s VAL 56 N -0.17 1.90 0.12 2.92 1.01 0.37 0.62 120.40 127.18 1oqa s VAL 56 Ca 0.03 -2.09 -0.04 0.00 0.00 0.00 0.00 61.98 59.88 1oqa s VAL 56 Cb -0.05 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1oqa s VAL 56 CO -0.00 -0.41 0.23 0.52 0.00 0.00 0.00 175.10 175.43 1oqa n VAL 57 N -0.06 0.00 0.00 2.92 0.31 0.52 -1.59 118.33 120.44 1oqa n VAL 57 Ca -0.10 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1oqa n VAL 57 Cb 0.58 0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 1oqa n VAL 57 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1oqa n GLN 58 N -0.18 0.00 -1.48 5.55 7.27 -1.26 -2.50 117.38 124.78 1oqa n GLN 58 Ca -0.02 0.00 -0.53 0.00 0.07 0.00 0.00 57.00 56.52 1oqa n GLN 58 Cb 0.19 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.77 1oqa n GLN 58 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1oqa n PRO 59 N 0.00 1.03 0.00 3.69 -0.02 -1.26 -4.27 135.00 134.17 1oqa n PRO 59 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1oqa n PRO 59 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1oqa n PRO 59 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1oqa n ASP 60 N 8.68 0.00 -0.81 2.55 -0.08 -1.25 -4.96 116.55 120.68 1oqa n ASP 60 Ca 0.39 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.72 1oqa n ASP 60 Cb 0.19 0.03 0.17 0.00 2.34 0.00 0.00 41.12 43.85 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1oqa n ALA 61 N -1.11 3.50 -0.07 -1.67 0.00 -0.82 -4.67 120.51 115.66 1oqa n ALA 61 Ca 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 53.44 50.21 1oqa n ALA 61 Cb 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 1oqa n ALA 61 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1oqa n TRP 62 N -0.84 0.00 -1.21 0.00 -0.00 -1.26 -4.65 117.44 109.48 1oqa n TRP 62 Ca 0.18 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.81 1oqa n TRP 62 Cb 0.77 -0.77 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 1oqa n TRP 62 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1oqa n THR 63 N -2.56 -0.96 -3.34 5.87 -1.04 -1.26 -4.67 114.28 106.32 1oqa n THR 63 Ca -0.25 0.85 -0.46 0.00 -2.04 0.00 0.00 64.05 62.15 1oqa n THR 63 Cb 0.98 -1.29 -0.01 0.00 -1.82 0.00 0.00 70.33 68.19 1oqa n THR 63 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1oqa s GLU 64 N -4.21 3.82 0.00 -2.82 -1.05 -1.26 -4.61 118.70 108.58 1oqa s GLU 64 Ca 0.00 -2.75 0.00 0.00 -0.15 0.00 0.00 54.97 52.07 1oqa s GLU 64 Cb 0.00 -4.47 0.00 0.00 -0.44 0.00 0.00 34.13 29.22 1oqa s GLU 64 CO 0.00 -1.27 0.00 -3.47 0.95 0.00 0.00 175.26 171.47 1oqa n ASP 65 N 3.49 0.01 0.07 0.83 -0.08 -1.26 -4.88 116.55 114.72 1oqa n ASP 65 Ca 0.18 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.40 1oqa n ASP 65 Cb 0.44 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.80 1oqa n ASP 65 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1oqa h ASN 66 N 0.00 0.00 0.00 1.67 4.21 -1.89 -3.49 115.58 116.08 1oqa h ASN 66 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1oqa h ASN 66 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 1oqa h ASN 66 CO 0.00 0.92 0.00 0.61 -1.29 0.00 0.00 177.43 177.67 1oqa n GLY 67 N 1.35 0.81 1.09 2.83 0.00 -1.26 -4.98 105.19 105.02 1oqa n GLY 67 Ca -0.01 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 2.28 0.61 -1.59 1.61 7.35 -1.26 -4.51 117.46 121.95 1oqa n PHE 68 Ca 0.00 -0.31 -0.29 0.00 -0.76 0.00 0.00 57.45 56.09 1oqa n PHE 68 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 1oqa n PHE 68 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1oqa n HIS 69 N 1.29 1.80 -2.55 -5.13 1.44 -1.26 -4.00 115.22 106.82 1oqa n HIS 69 Ca 0.20 -2.07 -0.01 0.00 -2.01 0.00 0.00 57.72 53.83 1oqa n HIS 69 Cb 0.54 -1.42 0.02 0.00 0.12 0.00 0.00 29.99 29.26 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1oqa n ALA 70 N 0.88 -1.07 0.19 1.59 0.00 -1.26 -5.03 120.51 115.80 1oqa n ALA 70 Ca 0.51 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.63 1oqa n ALA 70 Cb 0.49 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 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 0.80 0.00 0.00 0.00 1.08 -1.91 -2.26 117.51 115.22 1oqa h ILE 71 Ca -0.14 -0.53 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1oqa h ILE 71 Cb 1.08 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1oqa h ILE 71 CO -0.05 0.00 -0.01 1.23 -0.69 0.00 0.00 178.15 178.62 1oqa h GLY 72 N -1.07 0.00 2.00 5.37 0.00 -1.90 0.13 103.07 107.60 1oqa h GLY 72 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1oqa h GLY 72 CO 0.09 0.00 -0.27 -1.61 0.00 0.00 0.00 176.54 174.75 1oqa h GLN 73 N 0.00 0.00 0.01 4.80 4.15 -1.96 -3.27 115.11 118.83 1oqa h GLN 73 Ca -0.00 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.09 1oqa h GLN 73 Cb 0.03 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 1oqa h GLN 73 CO 0.00 0.27 -1.98 -1.33 -1.93 0.00 0.00 178.83 173.86 1oqa n MET 74 N -3.20 0.66 -3.92 1.69 2.81 -0.28 -4.95 117.12 109.92 1oqa n MET 74 Ca 0.02 0.18 -0.21 0.00 -1.81 0.00 0.00 57.70 55.88 1oqa n MET 74 Cb 0.60 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 31.39 1oqa n MET 74 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1oqa n GLU 76 N -1.31 3.03 -4.01 0.00 2.13 -1.26 -4.71 120.64 114.51 1oqa n GLU 76 Ca -0.04 -3.82 -0.10 0.00 0.66 0.00 0.00 57.16 53.86 1oqa n GLU 76 Cb 0.59 -2.15 -0.06 0.00 0.27 0.00 0.00 31.44 30.08 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oqa s ALA 77 N -3.55 0.02 -0.29 4.31 0.00 -1.26 -4.96 121.76 116.03 1oqa s ALA 77 Ca 0.51 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1oqa s ALA 77 Cb 0.42 1.04 -0.02 0.00 0.00 0.00 0.00 23.12 24.57 1oqa s ALA 77 CO 0.01 -0.74 1.63 -1.25 0.00 0.00 0.00 175.76 175.41 1oqa s PRO 78 N -4.02 3.61 -0.08 0.00 0.04 -1.26 -4.64 135.00 128.66 1oqa s PRO 78 Ca 0.23 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 1oqa s PRO 78 Cb 0.02 -4.08 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 1oqa s PRO 78 CO 0.06 -1.51 0.94 0.08 0.04 0.00 0.00 177.00 176.61 1oqa s VAL 79 N 5.75 4.85 0.29 -0.36 1.01 -1.24 -0.97 120.40 129.73 1oqa s VAL 79 Ca 0.72 1.93 0.04 0.00 0.00 0.00 0.00 61.98 64.67 1oqa s VAL 79 Cb -0.22 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 1oqa s VAL 79 CO 0.31 0.08 0.23 0.68 0.00 0.00 0.00 175.10 176.41 1oqa s VAL 80 N 1.59 0.00 0.33 2.92 -7.23 0.20 -2.39 120.40 115.82 1oqa s VAL 80 Ca 0.47 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1oqa s VAL 80 Cb -0.19 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1oqa s VAL 80 CO 0.20 0.00 0.54 0.42 -0.31 0.00 0.00 175.10 175.95 1oqa s THR 81 N -3.68 5.11 0.64 5.32 -4.23 0.05 0.20 115.64 119.04 1oqa s THR 81 Ca 0.40 -0.42 0.30 0.00 -1.18 0.00 0.00 61.69 60.78 1oqa s THR 81 Cb 0.04 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 70.36 1oqa s THR 81 CO 0.22 -0.52 1.93 0.08 -0.54 0.00 0.00 174.62 175.80 1oqa h ARG 82 N 0.90 0.00 -0.98 3.99 -0.00 -1.85 -1.49 114.38 114.96 1oqa h ARG 82 Ca -0.49 0.00 0.25 0.00 -0.00 0.00 0.00 59.98 59.74 1oqa h ARG 82 Cb 1.21 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.06 1oqa h ARG 82 CO 0.62 0.00 0.55 0.93 -0.00 0.00 0.00 179.97 182.07 1oqa h GLU 83 N 0.00 0.49 0.66 0.08 5.08 -1.93 0.53 114.58 119.49 1oqa h GLU 83 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1oqa h GLU 83 Cb 0.79 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1oqa h GLU 83 CO -0.00 0.32 -0.32 2.35 -1.00 0.00 0.00 179.01 180.37 1oqa h TRP 84 N 0.50 -0.82 -0.83 4.33 7.01 -1.61 0.91 115.95 125.45 1oqa h TRP 84 Ca 0.64 -0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.72 1oqa h TRP 84 Cb 1.26 0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 28.53 1oqa h TRP 84 CO -0.04 -0.48 0.54 0.28 -2.79 0.00 0.00 178.44 175.95 1oqa h VAL 85 N -0.99 0.95 0.09 2.65 2.07 -1.23 0.37 116.25 120.16 1oqa h VAL 85 Ca -0.09 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1oqa h VAL 85 Cb 0.71 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1oqa h VAL 85 CO 0.15 0.14 -0.04 0.25 0.02 0.00 0.00 177.57 178.09 1oqa h LEU 86 N 0.78 -0.10 -1.96 2.57 5.85 0.17 -1.44 115.31 121.19 1oqa h LEU 86 Ca 0.38 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1oqa h LEU 86 Cb 0.44 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1oqa h LEU 86 CO -0.15 0.55 0.18 -0.78 -0.34 0.00 0.00 178.44 177.90 1oqa h ASP 87 N -0.93 0.05 0.01 1.25 1.82 0.11 0.92 116.42 119.65 1oqa h ASP 87 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1oqa h ASP 87 Cb 0.53 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1oqa h ASP 87 CO 0.02 0.03 -0.01 0.28 -1.61 0.00 0.00 179.24 177.95 1oqa h SER 88 N 0.05 -0.02 0.64 2.28 0.02 -0.33 -2.92 113.55 113.28 1oqa h SER 88 Ca 0.12 -0.78 -0.10 0.00 -0.84 0.00 0.00 61.79 60.19 1oqa h SER 88 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1oqa h SER 88 CO -0.01 0.81 -0.48 0.58 -1.14 0.00 0.00 176.83 176.59 1oqa h VAL 89 N -0.88 1.20 0.28 2.27 2.07 -0.86 1.09 116.25 121.43 1oqa h VAL 89 Ca -0.00 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1oqa h VAL 89 Cb 0.79 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1oqa h VAL 89 CO 0.00 0.47 -0.14 0.00 0.02 0.00 0.00 177.57 177.93 1oqa h ALA 90 N 1.52 -0.38 -0.20 1.67 0.00 0.77 -3.25 119.26 119.40 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 0.93 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1oqa h ALA 90 CO 0.06 -0.53 0.00 -0.11 0.00 0.00 0.00 179.25 178.67 1oqa n LEU 91 N -5.11 2.86 -3.01 0.00 0.00 -1.10 -5.01 117.00 105.63 1oqa n LEU 91 Ca -0.09 -1.11 -0.13 0.00 0.00 0.00 0.00 56.01 54.67 1oqa n LEU 91 Cb 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 43.42 43.57 1oqa n LEU 91 CO 0.30 0.56 -0.18 -1.22 0.00 0.00 0.00 177.39 176.85 1oqa n TYR 92 N 1.16 -3.09 -3.58 1.96 4.01 0.36 -5.04 117.16 112.93 1oqa n TYR 92 Ca 0.17 1.29 0.03 0.00 -0.16 0.00 0.00 57.90 59.22 1oqa n TYR 92 Cb 0.54 -3.25 -0.06 0.00 -0.31 0.00 0.00 39.34 36.26 1oqa n TYR 92 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1oqa s GLN 93 N -2.24 0.05 -0.96 -0.72 0.74 -0.07 -4.96 119.66 111.51 1oqa s GLN 93 Ca 0.21 0.08 -0.25 0.00 0.05 0.00 0.00 55.36 55.46 1oqa s GLN 93 Cb -0.04 0.02 -0.10 0.00 1.10 0.00 0.00 33.01 33.98 1oqa s GLN 93 CO 0.73 -0.01 2.09 0.00 -0.55 0.00 0.00 175.29 177.54 1oqa s GLN 95 N 7.58 -0.31 -0.12 0.00 -1.52 -1.26 -4.97 119.66 119.05 1oqa s GLN 95 Ca 0.77 0.53 -0.26 0.00 -1.95 0.00 0.00 55.36 54.45 1oqa s GLN 95 Cb -0.07 -1.65 -0.02 0.00 -0.22 0.00 0.00 33.01 31.05 1oqa s GLN 95 CO 0.07 -3.24 0.84 -1.83 -0.25 0.00 0.00 175.29 170.88 1oqa s GLU 96 N -4.84 4.37 0.45 2.91 -1.05 -1.26 -4.94 118.70 114.34 1oqa s GLU 96 Ca 0.67 1.07 0.15 0.00 -0.15 0.00 0.00 54.97 56.72 1oqa s GLU 96 Cb -0.20 -3.53 1.01 0.00 -0.44 0.00 0.00 34.13 30.98 1oqa s GLU 96 CO 0.60 -0.21 1.98 -0.07 0.95 0.00 0.00 175.26 178.51 1oqa h LEU 97 N 7.77 0.00 -2.01 1.83 4.07 -1.95 -2.41 115.31 122.61 1oqa h LEU 97 Ca -0.33 0.00 0.15 0.00 0.08 0.00 0.00 57.88 57.78 1oqa h LEU 97 Cb 1.16 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 1oqa h LEU 97 CO 0.81 0.20 0.39 -0.78 -1.08 0.00 0.00 178.44 177.98 1oqa h ASP 98 N 0.00 0.00 1.52 -0.43 1.82 -1.94 0.83 116.42 118.22 1oqa h ASP 98 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1oqa h ASP 98 Cb 0.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.37 1oqa h ASP 98 CO 0.03 0.00 0.00 0.74 -1.61 0.00 0.00 179.24 178.40 1oqa h THR 99 N 0.00 0.00 0.00 2.25 2.02 -1.84 -3.27 112.91 112.06 1oqa h THR 99 Ca 0.24 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.66 1oqa h THR 99 Cb 1.02 1.61 -0.26 0.00 -1.74 0.00 0.00 68.15 68.77 1oqa h THR 99 CO -0.00 0.00 -0.86 -1.22 0.37 0.00 0.00 175.52 173.81 1oqa n TYR 100 N -2.66 0.00 -3.74 3.16 4.01 0.14 -5.06 117.16 113.00 1oqa n TYR 100 Ca 0.04 -0.76 -0.37 0.00 -0.16 0.00 0.00 57.90 56.65 1oqa n TYR 100 Cb 0.43 -0.17 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1oqa n TYR 100 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1oqa s LEU 101 N -0.92 4.35 -0.38 7.72 0.20 0.24 -0.77 118.68 129.13 1oqa s LEU 101 Ca 0.34 0.52 -0.29 0.00 0.69 0.00 0.00 54.13 55.39 1oqa s LEU 101 Cb 0.37 -2.20 0.01 0.00 -0.43 0.00 0.00 46.19 43.93 1oqa s LEU 101 CO -0.13 0.31 1.32 -0.63 -0.29 0.00 0.00 176.35 176.93 1oqa s ILE 102 N -0.58 4.04 1.00 6.68 1.01 -1.00 -4.99 121.20 127.37 1oqa s ILE 102 Ca 0.15 1.11 -0.16 0.00 0.00 0.00 0.00 60.65 61.75 1oqa s ILE 102 Cb -0.13 -4.26 0.20 0.00 0.01 0.00 0.00 42.46 38.29 1oqa s ILE 102 CO 0.05 -0.70 1.24 -2.16 0.00 0.00 0.00 174.94 173.36 1oqa s PRO 103 N 4.57 0.35 0.00 2.79 0.04 -1.26 -4.96 135.00 136.53 1oqa s PRO 103 Ca 0.57 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1oqa s PRO 103 Cb -0.14 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1oqa s PRO 103 CO 0.29 -2.64 0.00 0.94 0.04 0.00 0.00 177.00 175.63 1oqa n GLN 104 N -3.98 0.00 -3.74 4.56 7.27 -1.26 -5.10 117.38 115.14 1oqa n GLN 104 Ca 0.13 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.08 1oqa n GLN 104 Cb 0.60 -0.51 -0.11 0.00 2.41 0.00 0.00 30.24 32.62 1oqa n GLN 104 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1oqa s ILE 105 N -1.78 -0.02 0.17 1.69 1.10 -1.26 -5.06 121.20 116.05 1oqa s ILE 105 Ca 0.00 0.06 -0.13 0.00 -0.51 0.00 0.00 60.65 60.07 1oqa s ILE 105 Cb 0.00 -0.48 0.07 0.00 0.15 0.00 0.00 42.46 42.20 1oqa s ILE 105 CO 0.00 0.03 1.77 1.55 -2.11 0.00 0.00 174.94 176.18 1oqa h PRO 106 N 6.41 0.79 -5.78 3.50 0.13 -2.04 -3.34 132.00 131.67 1oqa h PRO 106 Ca -0.33 -0.10 -0.61 0.00 -0.87 0.00 0.00 66.00 64.09 1oqa h PRO 106 Cb 1.18 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.09 1oqa h PRO 106 CO 0.32 0.62 1.99 0.72 -0.23 0.00 0.00 178.00 181.41 1oqa n HIS 107 N -4.59 4.28 -0.04 1.56 8.25 -1.26 -4.47 115.22 118.95 1oqa n HIS 107 Ca 0.03 -2.57 -0.07 0.00 -0.26 0.00 0.00 57.72 54.86 1oqa n HIS 107 Cb 0.09 -2.64 -0.03 0.00 1.12 0.00 0.00 29.99 28.53 1oqa n HIS 107 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1oqa n SER 108 N 9.58 2.49 -3.46 0.41 3.41 -1.26 -5.05 113.62 119.75 1oqa n SER 108 Ca 0.48 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.83 1oqa n SER 108 Cb 0.46 -0.16 0.23 0.00 -0.26 0.00 0.00 64.21 64.47 1oqa n SER 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oqa n HIS 109 N -2.94 -3.81 1.03 7.33 1.44 -1.26 -5.21 115.22 111.79 1oqa n HIS 109 Ca -0.15 -0.90 0.08 0.00 -2.01 0.00 0.00 57.72 54.74 1oqa n HIS 109 Cb 0.64 -1.03 0.49 0.00 0.12 0.00 0.00 29.99 30.21 1oqa n HIS 109 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19