#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqa h SER 2 N 0.00 -0.08 -3.14 1.61 0.02 -2.11 -3.40 113.55 106.46 1oqa h SER 2 Ca 0.00 0.00 -0.75 0.00 -0.84 0.00 0.00 61.79 60.20 1oqa h SER 2 Cb 0.00 0.02 -0.23 0.00 0.14 0.00 0.00 62.40 62.33 1oqa h SER 2 CO 0.00 -0.04 -0.11 -1.10 -1.14 0.00 0.00 176.83 174.44 1oqa s GLN 3 N -2.54 3.08 0.08 3.45 -1.52 -1.26 -4.98 119.66 115.97 1oqa s GLN 3 Ca -0.01 -1.74 -0.05 0.00 -1.95 0.00 0.00 55.36 51.61 1oqa s GLN 3 Cb 0.00 -4.32 0.02 0.00 -0.22 0.00 0.00 33.01 28.49 1oqa s GLN 3 CO 0.04 -1.37 0.27 -0.25 -0.25 0.00 0.00 175.29 173.73 1oqa n ASP 4 N 5.29 -0.58 0.06 5.90 8.00 -1.26 -5.12 116.55 128.84 1oqa n ASP 4 Ca -0.10 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.05 1oqa n ASP 4 Cb 0.41 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 1oqa n ASP 4 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1oqa n ARG 5 N -0.19 0.00 -1.48 -1.24 0.63 -1.26 -5.17 116.66 107.95 1oqa n ARG 5 Ca -0.02 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.10 1oqa n ARG 5 Cb 0.17 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.01 1oqa n ARG 5 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1oqa n LYS 6 N -2.78 -3.23 -0.01 -0.14 4.76 -1.26 -4.68 118.16 110.82 1oqa n LYS 6 Ca 0.00 2.45 0.04 0.00 -2.87 0.00 0.00 58.31 57.92 1oqa n LYS 6 Cb 0.00 -3.85 -0.07 0.00 -1.84 0.00 0.00 35.03 29.28 1oqa n LYS 6 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1oqa n ILE 7 N -4.36 0.04 -0.09 -0.18 -6.64 0.63 -4.70 119.36 104.05 1oqa n ILE 7 Ca -0.05 -0.21 -0.23 0.00 -1.77 0.00 0.00 62.75 60.49 1oqa n ILE 7 Cb 0.69 0.22 -0.12 0.00 -1.44 0.00 0.00 39.64 38.99 1oqa n ILE 7 CO 0.00 0.00 0.00 0.49 -1.77 0.00 0.00 176.55 175.27 1oqa n PHE 8 N -1.84 0.71 -3.15 4.28 3.72 0.29 -4.34 117.46 117.12 1oqa n PHE 8 Ca -0.02 0.24 -0.04 0.00 -0.05 0.00 0.00 57.45 57.57 1oqa n PHE 8 Cb 0.27 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 37.73 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 -4.00 -0.90 -2.07 -1.08 0.63 -1.23 -4.35 116.66 103.66 1oqa n ARG 9 Ca -0.39 1.13 -0.01 0.00 -0.92 0.00 0.00 57.85 57.66 1oqa n ARG 9 Cb 0.86 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 32.01 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 1.05 -0.76 3.06 5.14 0.00 -1.18 -4.84 105.19 107.66 1oqa n GLY 10 Ca -0.01 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.35 -0.40 -0.22 0.99 0.20 -1.26 -2.82 118.68 112.83 1oqa s LEU 11 Ca 0.03 0.64 -0.15 0.00 0.69 0.00 0.00 54.13 55.34 1oqa s LEU 11 Cb -0.01 0.87 -0.04 0.00 -0.43 0.00 0.00 46.19 46.58 1oqa s LEU 11 CO 0.29 -0.24 0.38 -1.61 -0.29 0.00 0.00 176.35 174.88 1oqa s GLU 12 N 2.47 4.13 -0.05 1.98 2.02 0.16 0.14 118.70 129.55 1oqa s GLU 12 Ca 0.01 0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.16 1oqa s GLU 12 Cb -0.12 -3.56 0.02 0.00 0.10 0.00 0.00 34.13 30.56 1oqa s GLU 12 CO -0.10 -0.09 -0.07 0.42 0.02 0.00 0.00 175.26 175.44 1oqa s ILE 13 N 1.48 0.72 0.07 -1.63 1.01 -0.90 0.12 121.20 122.06 1oqa s ILE 13 Ca 0.18 -0.23 0.09 0.00 0.00 0.00 0.00 60.65 60.69 1oqa s ILE 13 Cb -0.15 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1oqa s ILE 13 CO 0.08 0.26 -0.25 0.00 0.00 0.00 0.00 174.94 175.04 1oqa s TYR 16 N 0.62 3.03 0.08 0.00 5.04 -1.09 -4.95 117.35 120.09 1oqa s TYR 16 Ca 0.00 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 1oqa s TYR 16 Cb -0.14 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.57 1oqa s TYR 16 CO 0.02 -1.07 0.00 0.41 -1.34 0.00 0.00 175.55 173.57 1oqa n GLY 17 N 5.18 -1.43 0.00 8.97 0.00 -1.26 -4.81 105.19 111.83 1oqa n GLY 17 Ca -0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.82 -0.27 0.05 1.61 -0.04 -1.26 -4.97 135.00 128.30 1oqa n PRO 18 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1oqa n PRO 18 Cb 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.62 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 -1.79 -0.82 0.06 0.54 3.01 -1.26 -4.60 117.46 112.60 1oqa n PHE 19 Ca 0.00 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1oqa n PHE 19 Cb 0.00 0.53 0.00 0.00 -0.01 0.00 0.00 39.48 40.00 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 -2.81 0.00 0.00 4.37 -2.24 -1.26 -1.45 114.28 110.89 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 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.79 0.00 -2.69 3.42 5.15 -1.26 -4.82 115.26 112.27 1oqa n ASN 21 Ca 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1oqa n ASN 21 Cb 0.00 -0.16 0.08 0.00 -0.53 0.00 0.00 39.78 39.17 1oqa n ASN 21 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1oqa n MET 22 N -1.93 0.70 -0.19 1.20 0.00 -1.26 -4.99 117.12 110.64 1oqa n MET 22 Ca 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 57.70 56.37 1oqa n MET 22 Cb 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 33.22 33.00 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 -0.09 1.85 -0.23 2.12 -0.04 -1.26 -4.32 135.00 133.02 1oqa n PRO 23 Ca -0.07 -0.87 0.01 0.00 -0.04 0.00 0.00 63.50 62.54 1oqa n PRO 23 Cb 0.74 -1.46 0.13 0.00 -0.04 0.00 0.00 33.50 32.88 1oqa n PRO 23 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1oqa h THR 24 N 1.24 0.80 0.00 0.52 2.02 -1.94 0.97 112.91 116.51 1oqa h THR 24 Ca 0.00 -0.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.83 1oqa h THR 24 Cb 0.63 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1oqa h THR 24 CO 0.08 0.09 -1.11 0.44 0.37 0.00 0.00 175.52 175.39 1oqa h ASP 25 N 0.51 0.00 0.31 4.18 3.32 -2.00 -3.13 116.42 119.61 1oqa h ASP 25 Ca 0.34 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.25 1oqa h ASP 25 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1oqa h ASP 25 CO -0.30 0.67 -0.58 -0.61 -1.72 0.00 0.00 179.24 176.70 1oqa h GLN 26 N 0.00 0.28 0.03 3.56 4.15 -1.55 -0.14 115.11 121.44 1oqa h GLN 26 Ca -0.11 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.13 1oqa h GLN 26 Cb 1.61 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.32 1oqa h GLN 26 CO 0.07 0.78 -0.01 1.25 -1.93 0.00 0.00 178.83 178.99 1oqa h LEU 27 N 0.21 -0.03 -1.63 -2.39 7.12 0.85 -1.04 115.31 118.40 1oqa h LEU 27 Ca -0.00 -0.60 -0.04 0.00 0.13 0.00 0.00 57.88 57.37 1oqa h LEU 27 Cb 1.08 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 41.21 1oqa h LEU 27 CO 0.09 0.60 -0.21 1.05 -0.13 0.00 0.00 178.44 179.85 1oqa h GLU 28 N -0.69 0.00 0.02 1.25 4.11 -1.57 -1.40 114.58 116.29 1oqa h GLU 28 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1oqa h GLU 28 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1oqa h GLU 28 CO 0.01 0.21 -0.01 2.35 0.07 0.00 0.00 179.01 181.64 1oqa h TRP 29 N 0.00 -0.02 -0.38 2.06 7.01 -1.00 -0.55 115.95 123.07 1oqa h TRP 29 Ca -0.00 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.06 1oqa h TRP 29 Cb 0.43 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.44 1oqa h TRP 29 CO 0.00 0.54 0.05 0.52 -2.79 0.00 0.00 178.44 176.75 1oqa h MET 30 N -0.59 0.16 -0.41 2.65 2.86 -0.87 0.36 114.93 119.09 1oqa h MET 30 Ca -0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1oqa h MET 30 Cb 0.57 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1oqa h MET 30 CO 0.00 0.10 0.19 -0.39 1.06 0.00 0.00 176.91 177.87 1oqa h VAL 31 N 0.16 1.18 -0.74 -2.22 -1.51 -1.30 -1.89 116.25 109.92 1oqa h VAL 31 Ca 0.18 -0.53 0.09 0.00 -1.23 0.00 0.00 66.70 65.21 1oqa h VAL 31 Cb 0.23 0.78 -0.05 0.00 -2.13 0.00 0.00 31.29 30.12 1oqa h VAL 31 CO -0.26 0.20 0.49 1.56 -1.23 0.00 0.00 177.57 178.32 1oqa h GLN 32 N 0.52 0.65 0.00 5.19 4.20 -0.19 0.27 115.11 125.75 1oqa h GLN 32 Ca 0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1oqa h GLN 32 Cb 0.14 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1oqa h GLN 32 CO -0.02 0.43 -0.07 1.25 -0.67 0.00 0.00 178.83 179.75 1oqa h LEU 33 N 0.67 0.00 -0.86 1.46 5.85 0.47 -2.52 115.31 120.37 1oqa h LEU 33 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1oqa h LEU 33 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1oqa h LEU 33 CO -0.12 0.07 -0.21 0.00 -0.34 0.00 0.00 178.44 177.84 1oqa n GLY 35 N 1.32 1.99 3.68 0.00 0.00 -0.91 0.10 105.19 111.37 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 -2.24 1.02 -0.03 4.61 0.00 -0.57 -3.07 121.76 121.48 1oqa s ALA 36 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1oqa s ALA 36 Cb 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 1oqa s ALA 36 CO 0.00 -3.08 -0.16 0.45 0.00 0.00 0.00 175.76 172.97 1oqa s SER 37 N -3.89 1.99 -0.04 0.00 0.15 0.37 -3.92 113.70 108.36 1oqa s SER 37 Ca 0.69 -0.32 -0.30 0.00 0.70 0.00 0.00 55.95 56.72 1oqa s SER 37 Cb -0.12 -0.44 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 1oqa s SER 37 CO 0.56 0.16 1.37 0.54 1.20 0.00 0.00 173.24 177.07 1oqa s VAL 38 N -0.09 3.88 0.11 4.45 0.11 -1.26 -2.13 120.40 125.47 1oqa s VAL 38 Ca -0.00 1.21 -0.09 0.00 -2.93 0.00 0.00 61.98 60.17 1oqa s VAL 38 Cb -0.09 -3.78 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 1oqa s VAL 38 CO 0.01 -0.03 0.42 -0.69 -3.33 0.00 0.00 175.10 171.48 1oqa s VAL 39 N 2.67 5.08 0.06 2.04 1.01 -1.17 -4.95 120.40 125.14 1oqa s VAL 39 Ca 0.62 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 1oqa s VAL 39 Cb -0.29 -3.64 -0.17 0.00 0.00 0.00 0.00 36.38 32.28 1oqa s VAL 39 CO 0.24 0.20 1.26 0.11 0.00 0.00 0.00 175.10 176.91 1oqa h LYS 40 N 3.42 0.59 0.00 2.72 6.56 -1.93 -3.45 116.57 124.48 1oqa h LYS 40 Ca -0.48 -0.46 -0.03 0.00 -1.06 0.00 0.00 60.65 58.61 1oqa h LYS 40 Cb 1.19 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1oqa h LYS 40 CO 0.68 1.09 0.14 0.39 -2.06 0.00 0.00 179.45 179.69 1oqa n GLU 41 N -4.18 0.66 0.04 3.15 -0.58 -1.26 -5.00 120.64 113.46 1oqa n GLU 41 Ca -0.08 -1.36 -0.13 0.00 -0.42 0.00 0.00 57.16 55.18 1oqa n GLU 41 Cb 0.62 1.66 -0.08 0.00 -0.57 0.00 0.00 31.44 33.07 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 -0.04 -1.83 -4.62 3.38 -1.97 -2.62 115.31 107.61 1oqa h LEU 42 Ca -0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1oqa h LEU 42 Cb 0.74 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1oqa h LEU 42 CO 0.25 0.15 0.00 0.28 0.09 0.00 0.00 178.44 179.21 1oqa h SER 43 N -0.22 0.00 0.14 -0.43 0.02 -1.97 -2.60 113.55 108.48 1oqa h SER 43 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1oqa h SER 43 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 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 -0.98 3.07 0.02 -1.85 -3.43 113.55 110.38 1oqa h SER 44 Ca 0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1oqa h SER 44 Cb 0.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1oqa h SER 44 CO 0.00 0.03 1.37 0.49 -1.14 0.00 0.00 176.83 177.57 1oqa n PHE 45 N -3.53 1.58 -4.03 3.45 3.72 -0.98 -4.92 117.46 112.75 1oqa n PHE 45 Ca -0.03 0.36 -0.35 0.00 -0.05 0.00 0.00 57.45 57.38 1oqa n PHE 45 Cb 0.13 -2.50 -0.11 0.00 -0.94 0.00 0.00 39.48 36.06 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 6.83 4.51 -0.46 4.37 -4.23 -1.26 -5.06 115.64 120.34 1oqa s THR 46 Ca 1.10 -0.13 -0.29 0.00 -1.18 0.00 0.00 61.69 61.19 1oqa s THR 46 Cb -0.96 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 69.87 1oqa s THR 46 CO 0.53 0.44 1.18 -0.22 -0.54 0.00 0.00 174.62 176.00 1oqa s LEU 47 N 0.66 3.64 0.00 4.79 2.96 -1.26 -4.95 118.68 124.52 1oqa s LEU 47 Ca 0.02 0.55 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 1oqa s LEU 47 Cb -0.13 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1oqa s LEU 47 CO 0.02 -1.26 0.00 0.61 -1.32 0.00 0.00 176.35 174.39 1oqa n GLY 48 N 4.84 2.46 0.39 7.98 0.00 -1.26 -5.09 105.19 114.50 1oqa n GLY 48 Ca 0.13 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 1oqa n GLY 48 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1oqa n THR 49 N 0.00 0.39 -3.34 2.61 -2.24 -1.26 -4.88 114.28 105.56 1oqa n THR 49 Ca 0.00 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1oqa n THR 49 Cb 0.00 -1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 67.01 1oqa n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oqa n GLY 50 N 2.88 4.00 3.15 3.38 0.00 -1.26 -5.01 105.19 112.33 1oqa n GLY 50 Ca -0.13 -2.28 0.04 0.00 0.00 0.00 0.00 46.02 43.65 1oqa n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oqa s VAL 51 N -1.91 -0.82 -0.13 1.61 -7.23 -1.21 -4.21 120.40 106.50 1oqa s VAL 51 Ca 0.38 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.39 1oqa s VAL 51 Cb 0.15 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 1oqa s VAL 51 CO -0.06 0.00 0.39 -2.28 -0.31 0.00 0.00 175.10 172.84 1oqa s HIS 52 N 2.88 3.50 0.14 2.82 2.46 -1.13 -4.65 115.29 121.31 1oqa s HIS 52 Ca 0.15 0.76 -0.30 0.00 0.47 0.00 0.00 55.06 56.14 1oqa s HIS 52 Cb -0.12 -2.44 -0.07 0.00 -0.13 0.00 0.00 32.58 29.82 1oqa s HIS 52 CO -0.20 0.22 1.01 -1.25 -2.47 0.00 0.00 174.74 172.05 1oqa s PRO 53 N 0.47 4.68 0.01 2.88 0.04 -1.25 0.37 135.00 142.20 1oqa s PRO 53 Ca 0.22 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.73 1oqa s PRO 53 Cb -0.14 -3.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1oqa s PRO 53 CO 0.07 0.19 0.12 0.42 0.04 0.00 0.00 177.00 177.85 1oqa s ILE 54 N -0.16 0.10 -0.00 0.56 -1.09 0.33 -4.32 121.20 116.61 1oqa s ILE 54 Ca 0.47 -0.81 0.04 0.00 -2.23 0.00 0.00 60.65 58.12 1oqa s ILE 54 Cb -0.25 -0.55 -0.01 0.00 -1.58 0.00 0.00 42.46 40.06 1oqa s ILE 54 CO 0.32 -0.45 -0.12 -0.69 -1.23 0.00 0.00 174.94 172.77 1oqa s VAL 55 N -1.74 0.97 0.28 2.92 1.01 0.68 -0.52 120.40 124.01 1oqa s VAL 55 Ca -0.12 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.38 1oqa s VAL 55 Cb -0.06 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 1oqa s VAL 55 CO -0.00 0.23 -0.03 0.68 0.00 0.00 0.00 175.10 175.98 1oqa s VAL 56 N -0.36 3.18 0.29 2.92 -7.23 0.53 -0.30 120.40 119.42 1oqa s VAL 56 Ca 0.04 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1oqa s VAL 56 Cb -0.05 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1oqa s VAL 56 CO -0.00 -0.35 0.47 1.33 -0.31 0.00 0.00 175.10 176.23 1oqa n VAL 57 N -0.86 0.00 0.00 1.32 0.24 -0.85 -2.67 118.33 115.50 1oqa n VAL 57 Ca -0.06 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.02 1oqa n VAL 57 Cb 0.60 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.45 0.00 -1.01 7.34 7.27 -1.26 -2.35 117.38 126.92 1oqa n GLN 58 Ca -0.02 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.65 1oqa n GLN 58 Cb 0.47 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.06 1oqa n GLN 58 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 1oqa n PRO 59 N 0.00 1.38 0.00 3.69 -0.04 -1.26 -4.18 135.00 134.59 1oqa n PRO 59 Ca 0.00 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 1oqa n PRO 59 Cb 0.00 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1oqa n PRO 59 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1oqa n ASP 60 N 7.21 0.00 0.12 3.54 2.03 -1.26 -4.89 116.55 123.31 1oqa n ASP 60 Ca 0.48 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.91 1oqa n ASP 60 Cb 0.37 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 40.92 1oqa n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1oqa h ALA 61 N 0.00 0.74 -0.98 -1.67 0.00 -1.41 -3.33 119.26 112.60 1oqa h ALA 61 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1oqa h ALA 61 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 1oqa h ALA 61 CO 0.00 0.00 0.59 2.35 0.00 0.00 0.00 179.25 182.19 1oqa h TRP 62 N 0.00 1.04 -3.49 0.00 7.01 -1.80 -3.47 115.95 115.24 1oqa h TRP 62 Ca 0.00 0.03 0.35 0.00 2.11 0.00 0.00 58.89 61.38 1oqa h TRP 62 Cb 0.89 -0.31 -0.19 0.00 -2.10 0.00 0.00 29.16 27.45 1oqa h TRP 62 CO 0.00 0.25 -1.26 2.41 -2.79 0.00 0.00 178.44 177.04 1oqa n THR 63 N -4.77 -0.91 -2.91 2.65 -1.04 -1.25 -4.59 114.28 101.45 1oqa n THR 63 Ca 0.22 0.94 -0.44 0.00 -2.04 0.00 0.00 64.05 62.73 1oqa n THR 63 Cb 0.54 -1.42 -0.03 0.00 -1.82 0.00 0.00 70.33 67.60 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 -4.26 3.43 -0.00 -2.82 0.41 -1.26 -4.77 118.70 109.42 1oqa s GLU 64 Ca 0.00 -1.46 -0.03 0.00 -0.41 0.00 0.00 54.97 53.07 1oqa s GLU 64 Cb 0.00 -4.69 -0.01 0.00 -1.78 0.00 0.00 34.13 27.65 1oqa s GLU 64 CO 0.00 -1.78 -0.06 -3.47 -0.49 0.00 0.00 175.26 169.46 1oqa n ASP 65 N 6.91 0.67 -0.09 -0.19 -0.08 -1.26 -4.89 116.55 117.61 1oqa n ASP 65 Ca 0.14 0.10 -0.09 0.00 -1.51 0.00 0.00 54.79 53.43 1oqa n ASP 65 Cb 0.48 -0.32 -0.15 0.00 2.34 0.00 0.00 41.12 43.46 1oqa n ASP 65 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1oqa n ASN 66 N -3.13 0.26 0.00 1.67 2.85 -1.26 -5.08 115.26 110.56 1oqa n ASN 66 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1oqa n ASN 66 Cb 0.09 0.98 0.00 0.00 1.24 0.00 0.00 39.78 42.09 1oqa n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1oqa n GLY 67 N 1.81 3.80 1.24 8.20 0.00 -1.26 -4.98 105.19 113.99 1oqa n GLY 67 Ca -0.31 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 44.82 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 0.70 -1.55 1.61 7.35 -1.26 -4.56 117.46 119.74 1oqa n PHE 68 Ca 0.00 -0.36 -0.29 0.00 -0.76 0.00 0.00 57.45 56.05 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 1.56 1.70 -2.13 -5.13 -0.00 -1.26 -3.88 115.22 106.08 1oqa n HIS 69 Ca 0.21 -2.05 -0.02 0.00 0.46 0.00 0.00 57.72 56.32 1oqa n HIS 69 Cb 0.61 -1.45 0.01 0.00 -0.12 0.00 0.00 29.99 29.05 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 1.02 0.19 0.09 1.57 0.00 -1.26 -5.01 120.51 117.11 1oqa n ALA 70 Ca 0.51 -0.32 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 1oqa n ALA 70 Cb 0.52 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 1.72 0.00 0.00 0.00 1.08 -1.91 -2.29 117.51 116.10 1oqa h ILE 71 Ca -0.19 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1oqa h ILE 71 Cb 0.98 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1oqa h ILE 71 CO -0.09 0.00 -0.09 1.23 -0.69 0.00 0.00 178.15 178.51 1oqa h GLY 72 N -0.55 0.00 2.00 5.37 0.00 -1.90 0.75 103.07 108.74 1oqa h GLY 72 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1oqa h GLY 72 CO 0.04 0.00 -0.25 -1.61 0.00 0.00 0.00 176.54 174.72 1oqa h GLN 73 N 0.00 0.00 0.05 4.80 5.75 -1.95 -3.32 115.11 120.43 1oqa h GLN 73 Ca -0.00 0.00 -0.36 0.00 -0.15 0.00 0.00 58.65 58.14 1oqa h GLN 73 Cb 0.21 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 1oqa h GLN 73 CO 0.01 0.25 -2.03 -1.33 -2.65 0.00 0.00 178.83 173.09 1oqa n MET 74 N -3.23 0.66 -2.53 1.69 2.81 -0.59 -4.96 117.12 110.97 1oqa n MET 74 Ca 0.02 0.31 -0.27 0.00 -1.81 0.00 0.00 57.70 55.95 1oqa n MET 74 Cb 0.56 -1.64 0.01 0.00 -0.71 0.00 0.00 33.22 31.44 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 -2.41 2.39 -4.05 0.00 2.13 -1.26 -4.75 120.64 112.69 1oqa n GLU 76 Ca 0.02 -3.46 -0.10 0.00 0.66 0.00 0.00 57.16 54.29 1oqa n GLU 76 Cb 0.56 -1.99 -0.08 0.00 0.27 0.00 0.00 31.44 30.20 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 -3.42 0.39 0.04 4.31 0.00 -1.26 -5.01 121.76 116.81 1oqa s ALA 77 Ca 0.49 -1.17 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1oqa s ALA 77 Cb 0.42 0.95 -0.07 0.00 0.00 0.00 0.00 23.12 24.43 1oqa s ALA 77 CO 0.00 -0.61 1.46 -1.25 0.00 0.00 0.00 175.76 175.36 1oqa s PRO 78 N -4.02 4.27 -0.21 0.00 0.04 -1.26 -4.66 135.00 129.15 1oqa s PRO 78 Ca 0.23 2.07 -0.17 0.00 0.04 0.00 0.00 61.00 63.17 1oqa s PRO 78 Cb 0.05 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1oqa s PRO 78 CO 0.03 -0.59 0.46 0.08 0.04 0.00 0.00 177.00 177.02 1oqa s VAL 79 N 2.23 5.14 -0.03 -0.36 1.01 -1.25 -0.23 120.40 126.92 1oqa s VAL 79 Ca 0.66 0.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 1oqa s VAL 79 Cb -0.34 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1oqa s VAL 79 CO 0.28 0.19 0.06 0.68 0.00 0.00 0.00 175.10 176.31 1oqa s VAL 80 N 1.65 -0.03 0.94 2.92 -7.23 0.59 -2.71 120.40 116.53 1oqa s VAL 80 Ca 0.21 0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.37 1oqa s VAL 80 Cb -0.15 -0.10 0.07 0.00 0.56 0.00 0.00 36.38 36.76 1oqa s VAL 80 CO 0.09 0.04 0.64 0.35 -0.31 0.00 0.00 175.10 175.91 1oqa n THR 81 N 3.65 0.00 0.33 5.32 -2.24 -0.15 -2.00 114.28 119.18 1oqa n THR 81 Ca -0.20 -0.13 0.16 0.00 -2.27 0.00 0.00 64.05 61.61 1oqa n THR 81 Cb 0.55 -0.74 0.87 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.67 0.00 -0.99 -0.78 0.11 -1.83 -2.19 114.38 107.03 1oqa h ARG 82 Ca -0.43 0.00 0.29 0.00 0.10 0.00 0.00 59.98 59.94 1oqa h ARG 82 Cb 1.28 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.22 1oqa h ARG 82 CO 0.36 0.00 0.54 0.93 0.10 0.00 0.00 179.97 181.90 1oqa h GLU 83 N 0.00 0.37 0.66 0.08 5.08 -1.88 0.39 114.58 119.28 1oqa h GLU 83 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1oqa h GLU 83 Cb 0.56 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1oqa h GLU 83 CO 0.00 0.25 -0.37 2.35 -1.00 0.00 0.00 179.01 180.24 1oqa h TRP 84 N 0.38 -0.97 -0.75 4.33 7.01 -1.71 0.97 115.95 125.21 1oqa h TRP 84 Ca 0.69 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.72 1oqa h TRP 84 Cb 1.47 0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 28.82 1oqa h TRP 84 CO -0.04 -0.58 0.45 0.28 -2.79 0.00 0.00 178.44 175.77 1oqa h VAL 85 N -0.96 1.05 0.34 2.65 2.07 -1.10 0.40 116.25 120.69 1oqa h VAL 85 Ca -0.09 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1oqa h VAL 85 Cb 0.76 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1oqa h VAL 85 CO 0.11 0.16 -0.16 0.25 0.02 0.00 0.00 177.57 177.94 1oqa h LEU 86 N 0.86 -0.39 -1.93 2.57 6.46 -0.15 0.12 115.31 122.85 1oqa h LEU 86 Ca 0.32 -0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1oqa h LEU 86 Cb 0.11 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 1oqa h LEU 86 CO -0.15 0.04 0.18 -0.78 -0.62 0.00 0.00 178.44 177.11 1oqa h ASP 87 N -0.92 0.08 0.01 1.25 3.58 0.11 0.75 116.42 121.26 1oqa h ASP 87 Ca -0.05 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1oqa h ASP 87 Cb 0.53 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1oqa h ASP 87 CO 0.08 0.05 -0.10 0.28 -2.88 0.00 0.00 179.24 176.67 1oqa h SER 88 N 0.09 0.08 0.72 2.28 0.02 -0.15 -3.01 113.55 113.58 1oqa h SER 88 Ca 0.12 -0.84 -0.09 0.00 -0.84 0.00 0.00 61.79 60.14 1oqa h SER 88 Cb 0.36 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1oqa h SER 88 CO -0.01 0.91 -0.41 0.58 -1.14 0.00 0.00 176.83 176.76 1oqa h VAL 89 N -0.75 1.02 0.31 2.27 2.07 -0.31 1.22 116.25 122.09 1oqa h VAL 89 Ca -0.01 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.93 1oqa h VAL 89 Cb 0.93 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1oqa h VAL 89 CO 0.02 0.40 -0.15 0.00 0.02 0.00 0.00 177.57 177.86 1oqa h ALA 90 N 1.59 -0.42 -0.02 1.67 0.00 0.41 -3.27 119.26 119.22 1oqa h ALA 90 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1oqa h ALA 90 Cb 0.88 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1oqa h ALA 90 CO 0.05 -0.56 -0.20 -0.11 0.00 0.00 0.00 179.25 178.43 1oqa n LEU 91 N -5.13 2.21 -2.84 0.00 0.00 -1.14 -5.02 117.00 105.07 1oqa n LEU 91 Ca -0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 56.01 55.10 1oqa n LEU 91 Cb 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 43.42 43.68 1oqa n LEU 91 CO 0.30 0.39 -0.23 -1.22 0.00 0.00 0.00 177.39 176.63 1oqa n TYR 92 N 0.46 -3.53 -3.65 1.96 4.01 0.41 -5.05 117.16 111.77 1oqa n TYR 92 Ca 0.13 1.49 -0.03 0.00 -0.16 0.00 0.00 57.90 59.33 1oqa n TYR 92 Cb 0.49 -3.81 -0.07 0.00 -0.31 0.00 0.00 39.34 35.64 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 -2.11 0.10 -0.85 -0.72 0.74 -0.39 -4.98 119.66 111.44 1oqa s GLN 93 Ca 0.14 0.12 -0.24 0.00 0.05 0.00 0.00 55.36 55.43 1oqa s GLN 93 Cb -0.04 0.05 -0.17 0.00 1.10 0.00 0.00 33.01 33.95 1oqa s GLN 93 CO 0.75 -0.01 1.90 0.00 -0.55 0.00 0.00 175.29 177.38 1oqa n GLN 95 N 7.71 -0.26 -2.05 0.00 3.00 -1.26 -4.95 117.38 119.57 1oqa n GLN 95 Ca 0.47 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 57.10 1oqa n GLN 95 Cb 0.43 -2.27 0.02 0.00 0.00 0.00 0.00 30.24 28.43 1oqa n GLN 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 1oqa s GLU 96 N -4.25 3.09 -0.17 -1.09 -1.05 -1.26 -4.97 118.70 109.00 1oqa s GLU 96 Ca 0.66 1.60 0.07 0.00 -0.15 0.00 0.00 54.97 57.16 1oqa s GLU 96 Cb -0.24 -1.97 -0.23 0.00 -0.44 0.00 0.00 34.13 31.25 1oqa s GLU 96 CO 0.58 -1.06 0.17 1.28 0.95 0.00 0.00 175.26 177.18 1oqa n LEU 97 N -1.70 1.55 0.18 1.83 4.32 -1.26 -4.22 117.00 117.70 1oqa n LEU 97 Ca 0.12 0.09 0.18 0.00 -0.02 0.00 0.00 56.01 56.38 1oqa n LEU 97 Cb 0.51 -0.29 0.81 0.00 -1.62 0.00 0.00 43.42 42.83 1oqa n LEU 97 CO 0.44 0.67 1.16 0.44 -1.22 0.00 0.00 177.39 178.88 1oqa h ASP 98 N 0.01 0.00 1.14 -1.43 5.19 -1.93 1.02 116.42 120.42 1oqa h ASP 98 Ca -0.48 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.86 1oqa h ASP 98 Cb 2.06 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.56 1oqa h ASP 98 CO 0.02 0.00 -0.35 0.00 -3.12 0.00 0.00 179.24 175.79 1oqa h THR 99 N 0.00 0.73 0.00 0.35 1.03 -1.99 -3.26 112.91 109.77 1oqa h THR 99 Ca 0.11 -1.60 0.00 0.00 -0.01 0.00 0.00 66.41 64.91 1oqa h THR 99 Cb 0.65 2.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 1oqa h THR 99 CO -0.00 0.34 -0.07 -1.22 -0.01 0.00 0.00 175.52 174.56 1oqa n TYR 100 N -3.36 0.00 -2.59 0.00 4.01 0.49 -4.97 117.16 110.74 1oqa n TYR 100 Ca 0.01 -0.53 -0.42 0.00 -0.16 0.00 0.00 57.90 56.80 1oqa n TYR 100 Cb 0.56 -0.08 -0.02 0.00 -0.31 0.00 0.00 39.34 39.49 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 -1.38 3.70 -0.02 7.72 0.20 0.32 -0.98 118.68 128.25 1oqa s LEU 101 Ca 0.11 -1.78 -0.02 0.00 0.69 0.00 0.00 54.13 53.14 1oqa s LEU 101 Cb 0.10 -2.56 0.01 0.00 -0.43 0.00 0.00 46.19 43.31 1oqa s LEU 101 CO 0.01 -1.38 0.04 -0.38 -0.29 0.00 0.00 176.35 174.35 1oqa n ILE 102 N 6.64-11.15 -1.09 6.68 5.41 -1.10 -4.95 119.36 119.80 1oqa n ILE 102 Ca 0.37 2.59 -0.29 0.00 1.00 0.00 0.00 62.75 66.42 1oqa n ILE 102 Cb 0.49 -5.43 0.21 0.00 -0.71 0.00 0.00 39.64 34.20 1oqa n ILE 102 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1oqa s PRO 103 N -0.51 -0.34 -0.20 0.38 0.04 -1.26 -5.03 135.00 128.08 1oqa s PRO 103 Ca -0.05 0.31 -0.11 0.00 0.04 0.00 0.00 61.00 61.19 1oqa s PRO 103 Cb 0.00 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 1oqa s PRO 103 CO 0.12 -3.20 -0.28 0.94 0.04 0.00 0.00 177.00 174.62 1oqa n GLN 104 N -4.47 0.45 -4.79 4.56 7.27 -1.26 -5.01 117.38 114.13 1oqa n GLN 104 Ca 0.08 0.19 -0.25 0.00 0.07 0.00 0.00 57.00 57.09 1oqa n GLN 104 Cb 0.58 -1.26 -0.16 0.00 2.41 0.00 0.00 30.24 31.81 1oqa n GLN 104 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1oqa s ILE 105 N -2.45 1.36 0.67 1.69 1.01 -1.26 -5.14 121.20 117.07 1oqa s ILE 105 Ca -0.29 -0.68 -0.14 0.00 0.00 0.00 0.00 60.65 59.54 1oqa s ILE 105 Cb 0.10 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1oqa s ILE 105 CO 0.37 0.39 1.10 -2.16 0.00 0.00 0.00 174.94 174.64 1oqa s PRO 106 N 0.01 2.81 -0.38 2.79 0.04 -1.26 -5.04 135.00 133.96 1oqa s PRO 106 Ca -0.03 1.32 0.01 0.00 0.04 0.00 0.00 61.00 62.35 1oqa s PRO 106 Cb -0.11 -1.96 0.14 0.00 0.04 0.00 0.00 34.50 32.62 1oqa s PRO 106 CO 0.02 -1.23 0.24 -1.01 0.04 0.00 0.00 177.00 175.05 1oqa s HIS 107 N -2.45 1.02 0.32 0.56 3.76 -1.26 -5.13 115.29 112.12 1oqa s HIS 107 Ca 0.65 -1.89 0.08 0.00 -0.15 0.00 0.00 55.06 53.76 1oqa s HIS 107 Cb -0.19 -1.10 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 1oqa s HIS 107 CO 0.43 -0.82 0.12 -1.12 -0.85 0.00 0.00 174.74 172.50 1oqa s SER 108 N 0.75 4.71 -0.06 1.40 0.01 -1.26 -5.04 113.70 114.21 1oqa s SER 108 Ca 0.21 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.78 1oqa s SER 108 Cb -0.18 -0.79 0.08 0.00 0.21 0.00 0.00 66.02 65.33 1oqa s SER 108 CO -0.03 -0.22 1.09 1.57 0.41 0.00 0.00 173.24 176.06 1oqa n HIS 109 N -1.10 -0.33 -0.09 2.43 -0.00 -1.26 -5.35 115.22 109.52 1oqa n HIS 109 Ca -0.04 -0.70 0.00 0.00 0.46 0.00 0.00 57.72 57.44 1oqa n HIS 109 Cb 0.61 0.65 0.00 0.00 -0.12 0.00 0.00 29.99 31.13 1oqa n HIS 109 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46