#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 3.42 -0.16 1.61 0.01 -1.26 -5.11 113.70 112.22 1oqa s SER 2 Ca 0.00 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.30 1oqa s SER 2 Cb 0.00 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.22 1oqa s SER 2 CO 0.00 -0.22 -0.17 -1.10 0.41 0.00 0.00 173.24 172.16 1oqa s GLN 3 N 1.52 2.58 0.29 12.44 -0.21 -1.26 -5.12 119.66 129.91 1oqa s GLN 3 Ca -0.03 -0.67 0.04 0.00 0.02 0.00 0.00 55.36 54.72 1oqa s GLN 3 Cb -0.17 -2.27 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 1oqa s GLN 3 CO -0.07 -0.20 0.24 -0.51 -2.12 0.00 0.00 175.29 172.63 1oqa s ASP 4 N 1.33 1.19 -0.37 5.90 1.01 -1.26 -5.14 116.67 119.34 1oqa s ASP 4 Ca 0.03 -1.64 0.01 0.00 0.71 0.00 0.00 52.55 51.66 1oqa s ASP 4 Cb -0.13 0.51 0.18 0.00 1.01 0.00 0.00 42.92 44.49 1oqa s ASP 4 CO -0.10 -1.00 0.79 -0.60 0.21 0.00 0.00 175.17 174.47 1oqa s ARG 5 N -3.65 0.55 0.21 8.23 3.00 -1.26 -5.15 118.95 120.89 1oqa s ARG 5 Ca 0.40 -0.14 -0.30 0.00 -1.00 0.00 0.00 55.73 54.69 1oqa s ARG 5 Cb 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 34.95 34.98 1oqa s ARG 5 CO 0.23 -0.81 1.13 0.15 0.00 0.00 0.00 175.30 175.99 1oqa s LYS 6 N 1.96 4.58 0.38 5.12 -0.14 -1.26 -4.94 119.74 125.44 1oqa s LYS 6 Ca 0.16 1.79 0.21 0.00 -1.36 0.00 0.00 55.97 56.76 1oqa s LYS 6 Cb -0.02 -3.24 0.50 0.00 -1.68 0.00 0.00 37.83 33.39 1oqa s LYS 6 CO -0.11 0.07 1.64 -0.84 -0.76 0.00 0.00 175.35 175.35 1oqa h ILE 7 N 3.55 0.55 0.02 2.17 -0.00 -1.38 -3.33 117.51 119.09 1oqa h ILE 7 Ca -0.45 -1.51 -0.33 0.00 -0.00 0.00 0.00 64.86 62.57 1oqa h ILE 7 Cb 1.21 2.06 -0.05 0.00 -0.00 0.00 0.00 36.82 40.05 1oqa h ILE 7 CO 0.71 0.28 -1.85 0.49 -0.00 0.00 0.00 178.15 177.78 1oqa n PHE 8 N -3.26 0.68 -3.05 0.16 3.72 0.23 -4.33 117.46 111.60 1oqa n PHE 8 Ca 0.02 0.25 -0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1oqa n PHE 8 Cb 0.56 -1.07 -0.00 0.00 -0.94 0.00 0.00 39.48 38.03 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 -4.14 -1.26 -1.77 -1.08 0.63 -1.22 -4.55 116.66 103.27 1oqa n ARG 9 Ca -0.40 1.38 -0.01 0.00 -0.92 0.00 0.00 57.85 57.90 1oqa n ARG 9 Cb 0.82 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1oqa n ARG 9 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1oqa n GLY 10 N 1.24 -0.69 3.24 5.14 0.00 -1.18 -4.90 105.19 108.04 1oqa n GLY 10 Ca -0.01 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.68 1.36 -0.18 0.99 0.20 -1.25 -2.47 118.68 115.65 1oqa s LEU 11 Ca 0.03 -0.79 -0.05 0.00 0.69 0.00 0.00 54.13 54.01 1oqa s LEU 11 Cb -0.01 0.98 0.07 0.00 -0.43 0.00 0.00 46.19 46.80 1oqa s LEU 11 CO 0.14 -0.78 0.11 -1.61 -0.29 0.00 0.00 176.35 173.92 1oqa s GLU 12 N -3.92 0.08 -0.09 1.98 2.02 0.50 0.16 118.70 119.44 1oqa s GLU 12 Ca 0.11 -0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.08 1oqa s GLU 12 Cb 0.05 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1oqa s GLU 12 CO -0.06 -0.68 -0.23 0.42 0.02 0.00 0.00 175.26 174.74 1oqa s ILE 13 N 2.16 1.94 -0.05 -1.63 1.01 -0.65 0.14 121.20 124.12 1oqa s ILE 13 Ca 0.03 -0.96 0.04 0.00 0.00 0.00 0.00 60.65 59.76 1oqa s ILE 13 Cb -0.16 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1oqa s ILE 13 CO -0.10 0.53 -0.16 0.00 0.00 0.00 0.00 174.94 175.22 1oqa s TYR 16 N 1.46 3.25 0.00 0.00 6.14 -0.54 -4.94 117.35 122.71 1oqa s TYR 16 Ca 0.01 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.22 1oqa s TYR 16 Cb -0.20 -2.66 0.00 0.00 0.42 0.00 0.00 41.96 39.51 1oqa s TYR 16 CO 0.04 -0.27 0.00 0.41 0.64 0.00 0.00 175.55 176.36 1oqa n GLY 17 N 4.55 1.89 0.01 8.97 0.00 -1.26 -4.34 105.19 115.01 1oqa n GLY 17 Ca -0.06 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 1.41 0.02 0.00 1.61 -0.04 -1.26 -4.79 135.00 131.95 1oqa n PRO 18 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1oqa n PRO 18 Cb 0.00 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.56 0.00 0.00 0.54 3.01 -1.26 -3.38 117.46 114.82 1oqa n PHE 19 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1oqa n PHE 19 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 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 0.00 4.37 -2.24 -1.26 -2.16 114.28 112.99 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 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.25 0.00 -2.69 3.42 2.85 -1.22 -4.82 115.26 110.55 1oqa n ASN 21 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 1oqa n ASN 21 Cb 0.00 -0.20 0.08 0.00 1.24 0.00 0.00 39.78 40.90 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 -2.37 0.66 -0.26 1.20 0.00 -1.25 -4.93 117.12 110.16 1oqa n MET 22 Ca 0.00 -1.34 0.03 0.00 0.00 0.00 0.00 57.70 56.39 1oqa n MET 22 Cb 0.00 -0.39 0.13 0.00 0.00 0.00 0.00 33.22 32.96 1oqa n MET 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1oqa n PRO 23 N 0.03 2.15 -0.25 2.12 -0.04 -1.26 -4.25 135.00 133.51 1oqa n PRO 23 Ca -0.05 -1.05 -0.07 0.00 -0.04 0.00 0.00 63.50 62.29 1oqa n PRO 23 Cb 0.74 -1.60 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 1oqa n PRO 23 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1oqa h THR 24 N 1.43 1.24 0.00 0.52 1.35 -1.86 0.98 112.91 116.57 1oqa h THR 24 Ca 0.00 -0.72 -0.15 0.00 -0.55 0.00 0.00 66.41 65.00 1oqa h THR 24 Cb 0.82 0.44 -0.03 0.00 -1.73 0.00 0.00 68.15 67.66 1oqa h THR 24 CO 0.12 0.29 -1.30 -0.78 -0.25 0.00 0.00 175.52 173.60 1oqa h ASP 25 N 0.96 0.00 0.88 5.36 1.82 -1.99 -3.07 116.42 120.37 1oqa h ASP 25 Ca 0.23 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.64 1oqa h ASP 25 Cb 0.18 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1oqa h ASP 25 CO -0.02 0.52 -1.06 -0.61 -1.61 0.00 0.00 179.24 176.46 1oqa h GLN 26 N 0.00 0.08 0.00 0.28 4.15 -1.74 -2.69 115.11 115.19 1oqa h GLN 26 Ca -0.14 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 58.99 1oqa h GLN 26 Cb 1.51 0.05 0.01 0.00 0.21 0.00 0.00 27.48 29.27 1oqa h GLN 26 CO 0.04 1.05 -0.60 1.25 -1.93 0.00 0.00 178.83 178.64 1oqa h LEU 27 N 0.02 0.53 -1.63 -2.39 5.85 0.89 -2.85 115.31 115.73 1oqa h LEU 27 Ca -0.05 -0.76 -0.04 0.00 0.84 0.00 0.00 57.88 57.87 1oqa h LEU 27 Cb 1.81 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1oqa h LEU 27 CO 0.15 1.22 -0.21 1.05 -0.34 0.00 0.00 178.44 180.32 1oqa h GLU 28 N -0.11 0.00 0.12 1.25 -0.00 -1.63 -2.21 114.58 112.00 1oqa h GLU 28 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.28 1oqa h GLU 28 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 1oqa h GLU 28 CO 0.12 0.21 -0.06 2.35 -0.00 0.00 0.00 179.01 181.62 1oqa h TRP 29 N 0.00 -0.15 -0.21 2.06 7.01 -1.46 -0.08 115.95 123.11 1oqa h TRP 29 Ca -0.00 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1oqa h TRP 29 Cb 0.43 0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 1oqa h TRP 29 CO 0.00 0.20 -0.09 0.52 -2.79 0.00 0.00 178.44 176.29 1oqa h MET 30 N -0.54 -0.05 -0.53 2.65 2.86 -1.25 0.33 114.93 118.40 1oqa h MET 30 Ca -0.02 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1oqa h MET 30 Cb 0.43 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1oqa h MET 30 CO 0.03 -0.03 0.32 -0.39 1.06 0.00 0.00 176.91 177.90 1oqa h VAL 31 N -0.05 1.07 -0.57 -2.22 -1.51 -1.42 0.30 116.25 111.85 1oqa h VAL 31 Ca 0.11 -0.22 0.08 0.00 -1.23 0.00 0.00 66.70 65.44 1oqa h VAL 31 Cb 0.22 0.37 -0.03 0.00 -2.13 0.00 0.00 31.29 29.71 1oqa h VAL 31 CO -0.25 0.12 0.38 1.56 -1.23 0.00 0.00 177.57 178.16 1oqa h GLN 32 N 0.65 0.43 0.00 5.19 4.20 -0.09 0.35 115.11 125.84 1oqa h GLN 32 Ca 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1oqa h GLN 32 Cb 0.00 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1oqa h GLN 32 CO -0.08 0.29 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.22 1oqa h LEU 33 N 0.45 0.00 -0.87 1.46 -0.00 0.17 -2.64 115.31 113.87 1oqa h LEU 33 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1oqa h LEU 33 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1oqa h LEU 33 CO -0.07 0.08 -0.22 0.00 -0.00 0.00 0.00 178.44 178.23 1oqa n GLY 35 N 1.32 2.31 3.69 0.00 0.00 -0.95 0.75 105.19 112.29 1oqa n GLY 35 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.23 1.06 -0.01 4.61 0.00 -0.77 -3.08 121.76 121.35 1oqa s ALA 36 Ca 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.97 1oqa s ALA 36 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1oqa s ALA 36 CO 0.00 -3.27 -0.10 0.45 0.00 0.00 0.00 175.76 172.83 1oqa s SER 37 N -4.18 1.23 -0.06 0.00 0.15 0.43 -3.95 113.70 107.32 1oqa s SER 37 Ca 0.72 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.88 1oqa s SER 37 Cb -0.08 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 1oqa s SER 37 CO 0.55 0.12 1.38 0.54 1.20 0.00 0.00 173.24 177.03 1oqa s VAL 38 N -0.16 3.92 -0.13 4.45 0.11 -1.26 -1.63 120.40 125.70 1oqa s VAL 38 Ca 0.03 1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 60.13 1oqa s VAL 38 Cb -0.05 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1oqa s VAL 38 CO -0.00 -0.05 0.39 -0.69 -3.33 0.00 0.00 175.10 171.42 1oqa s VAL 39 N 2.98 5.23 0.15 2.04 1.01 -1.17 -4.94 120.40 125.70 1oqa s VAL 39 Ca 0.62 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1oqa s VAL 39 Cb -0.28 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.41 1oqa s VAL 39 CO 0.23 0.38 1.64 0.50 0.00 0.00 0.00 175.10 177.84 1oqa h LYS 40 N 6.52 0.87 0.00 2.72 1.63 -1.94 -3.44 116.57 122.93 1oqa h LYS 40 Ca -0.42 -0.24 -0.30 0.00 -0.85 0.00 0.00 60.65 58.84 1oqa h LYS 40 Cb 1.18 -0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.63 1oqa h LYS 40 CO 0.74 0.86 -0.18 0.39 -3.45 0.00 0.00 179.45 177.81 1oqa n GLU 41 N -4.38 0.67 -0.07 1.90 -0.58 -1.26 -5.03 120.64 111.89 1oqa n GLU 41 Ca 0.02 -2.85 -0.15 0.00 -0.42 0.00 0.00 57.16 53.76 1oqa n GLU 41 Cb 0.27 2.69 -0.05 0.00 -0.57 0.00 0.00 31.44 33.78 1oqa n GLU 41 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1oqa h LEU 42 N 0.00 0.88 0.00 -4.62 3.38 -1.96 -2.92 115.31 110.07 1oqa h LEU 42 Ca -0.27 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1oqa h LEU 42 Cb 1.19 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1oqa h LEU 42 CO 0.37 1.26 0.00 -0.24 0.09 0.00 0.00 178.44 179.91 1oqa n SER 43 N -4.09 0.00 0.23 -0.43 2.88 -1.26 -2.69 113.62 108.26 1oqa n SER 43 Ca -0.05 0.40 0.15 0.00 -1.33 0.00 0.00 58.87 58.04 1oqa n SER 43 Cb 0.60 -0.46 0.48 0.00 -0.75 0.00 0.00 64.21 64.09 1oqa n SER 43 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1oqa h SER 44 N 0.00 0.00 -1.54 -3.46 0.02 -1.92 -3.44 113.55 103.21 1oqa h SER 44 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 1oqa h SER 44 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1oqa h SER 44 CO 0.00 0.00 1.29 0.49 -1.14 0.00 0.00 176.83 177.47 1oqa n PHE 45 N -2.95 1.91 -4.39 3.45 3.72 -1.10 -4.94 117.46 113.16 1oqa n PHE 45 Ca 0.02 0.15 -0.34 0.00 -0.05 0.00 0.00 57.45 57.24 1oqa n PHE 45 Cb 0.38 -2.60 -0.13 0.00 -0.94 0.00 0.00 39.48 36.19 1oqa n PHE 45 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1oqa s THR 46 N 6.22 3.63 -0.20 4.37 -4.23 -1.26 -5.08 115.64 119.10 1oqa s THR 46 Ca 1.02 -0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 60.94 1oqa s THR 46 Cb -0.75 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1oqa s THR 46 CO 0.49 0.48 0.35 -0.22 -0.54 0.00 0.00 174.62 175.18 1oqa s LEU 47 N 0.58 4.17 0.00 4.79 2.96 -1.26 -4.73 118.68 125.19 1oqa s LEU 47 Ca -0.04 0.47 0.17 0.00 -0.22 0.00 0.00 54.13 54.51 1oqa s LEU 47 Cb -0.15 -2.43 0.28 0.00 0.50 0.00 0.00 46.19 44.39 1oqa s LEU 47 CO 0.03 -0.02 1.09 0.61 -1.32 0.00 0.00 176.35 176.74 1oqa n GLY 48 N 3.84 0.84 3.22 7.98 0.00 -1.26 -4.99 105.19 114.83 1oqa n GLY 48 Ca -0.10 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 0.32 -2.33 0.00 2.61 -1.04 -1.26 -4.68 114.28 107.89 1oqa n THR 49 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1oqa n THR 49 Cb 0.98 -3.64 0.00 0.00 -1.82 0.00 0.00 70.33 65.85 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 -1.69 0.04 3.59 3.41 0.00 -1.26 -5.10 105.19 104.18 1oqa n GLY 50 Ca -0.07 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.26 5.22 -0.18 1.61 1.01 -1.25 -4.43 120.40 121.12 1oqa s VAL 51 Ca 0.00 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 1oqa s VAL 51 Cb 0.00 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1oqa s VAL 51 CO 0.00 0.13 0.41 -1.00 0.00 0.00 0.00 175.10 174.64 1oqa s HIS 52 N 1.96 3.41 0.03 5.22 0.09 -1.03 -4.51 115.29 120.46 1oqa s HIS 52 Ca 0.12 0.68 -0.30 0.00 -0.00 0.00 0.00 55.06 55.56 1oqa s HIS 52 Cb -0.16 -2.52 -0.04 0.00 -0.00 0.00 0.00 32.58 29.86 1oqa s HIS 52 CO 0.11 0.05 1.03 -1.25 -0.00 0.00 0.00 174.74 174.68 1oqa s PRO 53 N 1.08 4.55 0.02 8.40 0.04 -1.26 -0.37 135.00 147.45 1oqa s PRO 53 Ca 0.20 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1oqa s PRO 53 Cb -0.15 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.96 1oqa s PRO 53 CO 0.08 -0.06 -0.04 0.42 0.04 0.00 0.00 177.00 177.44 1oqa s ILE 54 N 0.86 0.21 0.13 0.56 -1.09 0.36 -4.24 121.20 118.00 1oqa s ILE 54 Ca 0.53 -0.76 0.09 0.00 -2.23 0.00 0.00 60.65 58.28 1oqa s ILE 54 Cb -0.23 -0.31 -0.04 0.00 -1.58 0.00 0.00 42.46 40.30 1oqa s ILE 54 CO 0.29 -0.35 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.73 1oqa s VAL 55 N -1.12 1.96 0.03 2.92 1.01 0.26 -1.57 120.40 123.89 1oqa s VAL 55 Ca -0.11 -1.71 0.05 0.00 0.00 0.00 0.00 61.98 60.21 1oqa s VAL 55 Cb -0.08 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 1oqa s VAL 55 CO -0.00 -0.05 -0.14 -0.69 0.00 0.00 0.00 175.10 174.21 1oqa s VAL 56 N -1.30 1.10 0.30 2.92 1.01 0.20 0.63 120.40 125.27 1oqa s VAL 56 Ca 0.11 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1oqa s VAL 56 Cb -0.09 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1oqa s VAL 56 CO 0.06 0.07 0.17 1.33 0.00 0.00 0.00 175.10 176.73 1oqa n VAL 57 N 2.10 0.00 0.00 2.92 0.24 -1.11 -1.47 118.33 121.01 1oqa n VAL 57 Ca -0.17 -1.97 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 1oqa n VAL 57 Cb 0.55 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 1oqa n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oqa n GLN 58 N -0.63 0.00 -2.27 7.34 1.13 -1.26 -3.46 117.38 118.23 1oqa n GLN 58 Ca 0.01 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.74 1oqa n GLN 58 Cb 0.50 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.81 1oqa n GLN 58 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1oqa s PRO 59 N 0.00 3.01 0.07 -1.09 0.04 -1.26 -4.24 135.00 131.53 1oqa s PRO 59 Ca 0.00 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.23 1oqa s PRO 59 Cb 0.00 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.32 1oqa s PRO 59 CO 0.00 -2.96 0.00 -3.47 0.04 0.00 0.00 177.00 170.61 1oqa n ASP 60 N 11.85 -0.35 -2.26 6.66 2.03 -1.26 -4.90 116.55 128.31 1oqa n ASP 60 Ca 0.39 0.13 -0.28 0.00 0.52 0.00 0.00 54.79 55.55 1oqa n ASP 60 Cb 0.48 0.52 0.14 0.00 -0.72 0.00 0.00 41.12 41.54 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oqa n ALA 61 N -2.68 5.86 0.04 -1.67 0.00 -0.92 -4.40 120.51 116.73 1oqa n ALA 61 Ca 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 53.44 50.27 1oqa n ALA 61 Cb 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 19.45 17.76 1oqa n ALA 61 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1oqa h TRP 62 N 1.35 0.02 0.00 0.00 4.06 -1.85 -3.44 115.95 116.09 1oqa h TRP 62 Ca 0.63 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.56 1oqa h TRP 62 Cb 2.13 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.29 1oqa h TRP 62 CO 1.53 1.02 0.00 2.41 -3.56 0.00 0.00 178.44 179.84 1oqa n THR 63 N -3.26 0.00 -1.74 1.49 -1.04 -1.26 -4.76 114.28 103.70 1oqa n THR 63 Ca -0.06 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.64 1oqa n THR 63 Cb 0.98 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.00 3.15 -0.70 -2.82 2.02 -1.26 -5.02 118.70 114.07 1oqa s GLU 64 Ca 0.00 0.98 -0.03 0.00 0.02 0.00 0.00 54.97 55.93 1oqa s GLU 64 Cb 0.00 -2.02 0.18 0.00 0.10 0.00 0.00 34.13 32.39 1oqa s GLU 64 CO 0.00 -0.93 0.54 -0.51 0.02 0.00 0.00 175.26 174.38 1oqa s ASP 65 N -3.61 5.51 -0.12 -0.19 1.01 -1.26 -4.90 116.67 113.11 1oqa s ASP 65 Ca 0.59 -3.05 -0.25 0.00 0.71 0.00 0.00 52.55 50.55 1oqa s ASP 65 Cb -0.14 -1.89 -0.27 0.00 1.01 0.00 0.00 42.92 41.63 1oqa s ASP 65 CO 0.50 -0.34 0.74 0.78 0.21 0.00 0.00 175.17 177.06 1oqa h ASN 66 N 6.84 0.16 0.00 0.27 2.35 -1.95 -3.49 115.58 119.77 1oqa h ASN 66 Ca 0.04 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 54.85 1oqa h ASN 66 Cb 0.93 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1oqa h ASN 66 CO 0.74 1.20 0.00 0.61 -1.65 0.00 0.00 177.43 178.33 1oqa n GLY 67 N 1.62 1.06 0.73 2.83 0.00 -1.26 -5.02 105.19 105.15 1oqa n GLY 67 Ca -0.14 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.41 -1.66 1.61 7.35 -1.26 -4.44 117.46 119.48 1oqa n PHE 68 Ca 0.00 -0.21 -0.31 0.00 -0.76 0.00 0.00 57.45 56.17 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 0.72 -0.76 0.00 0.00 176.76 176.72 1oqa n HIS 69 N 0.65 1.92 -2.07 -5.13 8.25 -1.26 -3.95 115.22 113.63 1oqa n HIS 69 Ca 0.16 -2.17 -0.02 0.00 -0.26 0.00 0.00 57.72 55.42 1oqa n HIS 69 Cb 0.37 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 30.02 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1oqa n ALA 70 N 0.96 0.77 0.03 -1.41 0.00 -1.26 -4.97 120.51 114.63 1oqa n ALA 70 Ca 0.52 -0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1oqa n ALA 70 Cb 0.46 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 2.21 0.90 0.00 0.00 1.08 -1.91 -2.24 117.51 117.55 1oqa h ILE 71 Ca -0.25 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 62.94 1oqa h ILE 71 Cb 1.02 1.55 -0.00 0.00 -3.07 0.00 0.00 36.82 36.31 1oqa h ILE 71 CO -0.12 0.25 -0.07 1.23 -0.69 0.00 0.00 178.15 178.75 1oqa h GLY 72 N -0.88 0.00 1.67 5.37 0.00 -1.90 -2.80 103.07 104.52 1oqa h GLY 72 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1oqa h GLY 72 CO 0.03 0.00 -0.30 1.46 0.00 0.00 0.00 176.54 177.73 1oqa h GLN 73 N 0.00 0.00 0.00 4.80 7.50 -1.94 -3.28 115.11 122.19 1oqa h GLN 73 Ca -0.00 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 58.97 1oqa h GLN 73 Cb 0.97 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.47 1oqa h GLN 73 CO 0.01 0.00 -1.69 -0.12 -1.50 0.00 0.00 178.83 175.53 1oqa n MET 74 N -2.68 0.64 -4.18 1.46 1.56 -0.84 -4.96 117.12 108.12 1oqa n MET 74 Ca 0.03 0.11 -0.14 0.00 -0.27 0.00 0.00 57.70 57.44 1oqa n MET 74 Cb 0.50 -1.71 -0.11 0.00 2.15 0.00 0.00 33.22 34.06 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 0.41 2.33 -4.46 0.00 1.02 -1.26 -4.54 120.64 114.13 1oqa n GLU 76 Ca -0.15 -3.16 -0.23 0.00 -0.02 0.00 0.00 57.16 53.60 1oqa n GLU 76 Cb 0.58 -2.14 -0.10 0.00 -0.02 0.00 0.00 31.44 29.76 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 -3.42 2.52 -0.19 0.62 0.00 -1.26 -5.07 121.76 114.96 1oqa s ALA 77 Ca 0.56 -1.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 1oqa s ALA 77 Cb 0.47 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 1oqa s ALA 77 CO 0.06 -0.01 1.11 -1.25 0.00 0.00 0.00 175.76 175.67 1oqa s PRO 78 N -3.68 4.27 -0.25 0.00 0.04 -1.26 -4.74 135.00 129.38 1oqa s PRO 78 Ca 0.30 1.47 -0.16 0.00 0.04 0.00 0.00 61.00 62.65 1oqa s PRO 78 Cb 0.03 -3.66 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1oqa s PRO 78 CO 0.13 -0.61 0.41 0.08 0.04 0.00 0.00 177.00 177.05 1oqa s VAL 79 N 3.10 5.16 -0.01 -0.36 1.01 -1.25 0.91 120.40 128.96 1oqa s VAL 79 Ca 0.48 0.67 0.01 0.00 0.00 0.00 0.00 61.98 63.14 1oqa s VAL 79 Cb -0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1oqa s VAL 79 CO 0.11 0.16 -0.02 0.68 0.00 0.00 0.00 175.10 176.03 1oqa s VAL 80 N 1.94 0.22 1.11 2.92 -7.23 0.21 -2.47 120.40 117.10 1oqa s VAL 80 Ca 0.17 -0.04 -0.20 0.00 -1.81 0.00 0.00 61.98 60.10 1oqa s VAL 80 Cb -0.15 -0.25 0.08 0.00 0.56 0.00 0.00 36.38 36.62 1oqa s VAL 80 CO 0.09 0.10 -0.16 0.35 -0.31 0.00 0.00 175.10 175.17 1oqa n THR 81 N 3.49 0.00 0.27 5.32 -2.24 -0.31 -2.75 114.28 118.06 1oqa n THR 81 Ca -0.19 -0.25 0.14 0.00 -2.27 0.00 0.00 64.05 61.48 1oqa n THR 81 Cb 0.55 -0.53 0.70 0.00 -2.10 0.00 0.00 70.33 68.95 1oqa n THR 81 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1oqa h ARG 82 N -2.00 0.00 -0.89 -0.78 0.11 -1.92 -2.86 114.38 106.04 1oqa h ARG 82 Ca -0.51 0.00 0.18 0.00 0.10 0.00 0.00 59.98 59.76 1oqa h ARG 82 Cb 1.34 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.31 1oqa h ARG 82 CO 0.35 0.00 0.44 1.49 0.10 0.00 0.00 179.97 182.36 1oqa h GLU 83 N 0.00 0.53 0.69 0.08 4.57 -1.92 0.48 114.58 119.02 1oqa h GLU 83 Ca 0.00 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1oqa h GLU 83 Cb 0.14 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1oqa h GLU 83 CO 0.00 0.35 -0.36 2.35 -1.18 0.00 0.00 179.01 180.17 1oqa h TRP 84 N 0.55 -0.94 -0.74 0.92 7.01 -1.82 0.95 115.95 121.88 1oqa h TRP 84 Ca 0.52 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.59 1oqa h TRP 84 Cb 0.86 0.32 -0.07 0.00 -2.10 0.00 0.00 29.16 28.17 1oqa h TRP 84 CO -0.10 -0.57 0.39 0.28 -2.79 0.00 0.00 178.44 175.66 1oqa h VAL 85 N -0.97 0.88 -0.15 2.65 2.07 -1.41 0.60 116.25 119.93 1oqa h VAL 85 Ca -0.09 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1oqa h VAL 85 Cb 0.75 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1oqa h VAL 85 CO 0.14 0.12 -0.15 -0.07 0.02 0.00 0.00 177.57 177.63 1oqa h LEU 86 N 0.67 0.39 -1.31 2.57 -0.00 0.13 0.11 115.31 117.88 1oqa h LEU 86 Ca 0.36 -0.48 -0.05 0.00 -0.00 0.00 0.00 57.88 57.70 1oqa h LEU 86 Cb 0.35 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 1oqa h LEU 86 CO -0.25 0.79 -0.10 -0.78 -0.00 0.00 0.00 178.44 178.10 1oqa h ASP 87 N -0.01 0.32 0.02 -0.43 1.82 0.14 0.39 116.42 118.68 1oqa h ASP 87 Ca 0.02 -0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.51 1oqa h ASP 87 Cb 0.69 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 40.62 1oqa h ASP 87 CO 0.04 0.46 -0.34 0.28 -1.61 0.00 0.00 179.24 178.07 1oqa h SER 88 N 0.32 0.26 0.48 2.28 0.02 0.28 -2.86 113.55 114.33 1oqa h SER 88 Ca 0.07 -0.84 -0.12 0.00 -0.84 0.00 0.00 61.79 60.05 1oqa h SER 88 Cb 0.39 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1oqa h SER 88 CO 0.02 1.07 -0.56 0.58 -1.14 0.00 0.00 176.83 176.80 1oqa h VAL 89 N -0.52 1.39 0.42 2.27 2.07 -0.66 1.14 116.25 122.37 1oqa h VAL 89 Ca -0.05 -1.91 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 1oqa h VAL 89 Cb 1.14 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1oqa h VAL 89 CO 0.07 0.55 -0.20 0.00 0.02 0.00 0.00 177.57 178.00 1oqa h ALA 90 N 1.37 -0.57 0.00 1.67 0.00 -0.31 -3.30 119.26 118.12 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 1.01 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1oqa h ALA 90 CO 0.08 -0.63 -0.65 1.25 0.00 0.00 0.00 179.25 179.30 1oqa h LEU 91 N -0.96 0.00 -2.56 0.00 5.85 -1.57 -3.49 115.31 112.57 1oqa h LEU 91 Ca -0.06 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1oqa h LEU 91 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1oqa h LEU 91 CO 0.10 0.07 -0.24 -1.22 -0.34 0.00 0.00 178.44 176.80 1oqa n TYR 92 N -2.33 -2.11 0.00 1.25 4.01 0.39 -5.06 117.16 113.31 1oqa n TYR 92 Ca 0.03 0.84 0.00 0.00 -0.16 0.00 0.00 57.90 58.60 1oqa n TYR 92 Cb 0.47 -3.12 0.00 0.00 -0.31 0.00 0.00 39.34 36.38 1oqa n TYR 92 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1oqa n GLN 93 N -0.62 0.00 -1.56 -0.72 0.00 -0.71 -4.96 117.38 108.81 1oqa n GLN 93 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.89 1oqa n GLN 93 Cb 0.33 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.50 1oqa n GLN 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1oqa s GLN 95 N 8.77 2.81 0.31 0.00 -1.52 -1.26 -4.99 119.66 123.77 1oqa s GLN 95 Ca 0.96 0.95 -0.29 0.00 -1.95 0.00 0.00 55.36 55.02 1oqa s GLN 95 Cb -0.18 -1.98 -0.10 0.00 -0.22 0.00 0.00 33.01 30.54 1oqa s GLN 95 CO 0.13 -1.19 1.30 -1.83 -0.25 0.00 0.00 175.29 173.45 1oqa s GLU 96 N -5.04 4.38 -0.04 2.91 1.03 -1.26 -4.94 118.70 115.73 1oqa s GLU 96 Ca 0.58 2.17 0.05 0.00 0.03 0.00 0.00 54.97 57.81 1oqa s GLU 96 Cb -0.14 -3.10 -0.24 0.00 -0.80 0.00 0.00 34.13 29.85 1oqa s GLU 96 CO 0.55 -0.18 0.69 -0.07 -1.33 0.00 0.00 175.26 174.92 1oqa h LEU 97 N 3.75 0.15 -2.30 1.83 4.07 -1.97 -3.34 115.31 117.50 1oqa h LEU 97 Ca -0.48 -0.29 0.03 0.00 0.08 0.00 0.00 57.88 57.21 1oqa h LEU 97 Cb 1.22 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 1oqa h LEU 97 CO 0.68 1.26 0.23 0.44 -1.08 0.00 0.00 178.44 179.96 1oqa h ASP 98 N 0.03 0.00 1.47 -0.43 5.19 -1.95 0.53 116.42 121.26 1oqa h ASP 98 Ca -0.28 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.06 1oqa h ASP 98 Cb 2.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.50 1oqa h ASP 98 CO 0.10 0.00 -0.30 0.74 -3.12 0.00 0.00 179.24 176.66 1oqa h THR 99 N 0.00 0.55 0.00 0.35 2.02 -1.98 -3.30 112.91 110.55 1oqa h THR 99 Ca 0.04 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1oqa h THR 99 Cb 0.50 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1oqa h THR 99 CO -0.00 0.29 -0.17 -1.22 0.37 0.00 0.00 175.52 174.79 1oqa n TYR 100 N -3.23 0.00 -2.31 3.16 4.01 0.48 -5.07 117.16 114.19 1oqa n TYR 100 Ca 0.02 -0.55 -0.25 0.00 -0.16 0.00 0.00 57.90 56.96 1oqa n TYR 100 Cb 0.60 -0.10 0.10 0.00 -0.31 0.00 0.00 39.34 39.63 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 -1.54 2.89 -0.49 7.72 0.20 0.16 -1.16 118.68 126.46 1oqa s LEU 101 Ca 0.16 0.12 -0.04 0.00 0.69 0.00 0.00 54.13 55.05 1oqa s LEU 101 Cb 0.14 -2.58 0.13 0.00 -0.43 0.00 0.00 46.19 43.45 1oqa s LEU 101 CO 0.02 -1.85 0.31 -0.63 -0.29 0.00 0.00 176.35 173.90 1oqa s ILE 102 N -3.29 3.63 0.23 6.68 -1.09 -1.03 -4.91 121.20 121.42 1oqa s ILE 102 Ca 0.64 -2.25 -0.04 0.00 -2.23 0.00 0.00 60.65 56.77 1oqa s ILE 102 Cb -0.08 -3.43 0.06 0.00 -1.58 0.00 0.00 42.46 37.43 1oqa s ILE 102 CO 0.45 -0.77 0.15 -2.65 -1.23 0.00 0.00 174.94 170.90 1oqa n PRO 103 N 4.35 -2.23 0.02 2.79 -0.02 -1.26 -4.97 135.00 133.68 1oqa n PRO 103 Ca -0.00 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1oqa n PRO 103 Cb 0.40 -0.30 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 1oqa n PRO 103 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1oqa n GLN 104 N -2.49 0.00 -3.69 -0.52 7.27 -1.26 -5.11 117.38 111.58 1oqa n GLN 104 Ca 0.02 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.97 1oqa n GLN 104 Cb 0.10 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.68 1oqa n GLN 104 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1oqa s ILE 105 N -1.65 0.06 -0.44 1.69 -4.36 -1.26 -5.12 121.20 110.12 1oqa s ILE 105 Ca 0.00 -0.51 -0.28 0.00 -0.26 0.00 0.00 60.65 59.60 1oqa s ILE 105 Cb 0.00 -0.92 -0.01 0.00 1.25 0.00 0.00 42.46 42.78 1oqa s ILE 105 CO 0.00 -0.28 1.70 -2.16 0.24 0.00 0.00 174.94 174.44 1oqa s PRO 106 N -2.38 3.21 -0.38 0.37 0.04 -1.26 -4.92 135.00 129.67 1oqa s PRO 106 Ca -0.06 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.04 1oqa s PRO 106 Cb -0.01 -4.20 0.16 0.00 0.04 0.00 0.00 34.50 30.48 1oqa s PRO 106 CO -0.02 -2.02 0.28 -1.58 0.04 0.00 0.00 177.00 173.70 1oqa s HIS 107 N 7.05 0.84 -0.39 0.56 2.46 -1.26 -5.07 115.29 119.48 1oqa s HIS 107 Ca 0.70 -1.93 0.03 0.00 0.47 0.00 0.00 55.06 54.33 1oqa s HIS 107 Cb -0.17 -0.88 0.11 0.00 -0.13 0.00 0.00 32.58 31.50 1oqa s HIS 107 CO 0.29 -0.84 0.12 0.45 -2.47 0.00 0.00 174.74 172.30 1oqa s SER 108 N 0.59 4.80 -0.15 9.88 0.15 -1.26 -4.90 113.70 122.81 1oqa s SER 108 Ca 0.25 -2.29 0.10 0.00 0.70 0.00 0.00 55.95 54.72 1oqa s SER 108 Cb -0.10 -1.67 -0.16 0.00 -1.71 0.00 0.00 66.02 62.38 1oqa s SER 108 CO -0.09 -0.38 0.01 1.41 1.20 0.00 0.00 173.24 175.38 1oqa n HIS 109 N 4.11 0.00 -0.52 3.44 8.25 -1.26 -5.35 115.22 123.90 1oqa n HIS 109 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1oqa n HIS 109 Cb 0.40 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1oqa n HIS 109 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96