#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oqa n SER 2 N 0.00 1.51 -4.62 1.61 3.41 -1.26 -4.94 113.62 109.33 1oqa n SER 2 Ca 0.00 0.24 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 1oqa n SER 2 Cb 0.00 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 1oqa n SER 2 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1oqa s GLN 3 N -2.49 3.83 0.21 4.33 0.74 -1.26 -4.74 119.66 120.28 1oqa s GLN 3 Ca -0.19 1.07 0.00 0.00 0.05 0.00 0.00 55.36 56.29 1oqa s GLN 3 Cb 0.04 -3.90 0.00 0.00 1.10 0.00 0.00 33.01 30.25 1oqa s GLN 3 CO 0.27 -1.23 0.00 -3.47 -0.55 0.00 0.00 175.29 170.31 1oqa n ASP 4 N 7.85 -0.04 -2.71 6.67 -0.08 -1.26 -5.08 116.55 121.89 1oqa n ASP 4 Ca 0.14 0.36 -0.02 0.00 -1.51 0.00 0.00 54.79 53.77 1oqa n ASP 4 Cb 0.47 0.27 0.02 0.00 2.34 0.00 0.00 41.12 44.22 1oqa n ASP 4 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1oqa s ARG 5 N -1.77 0.26 -0.16 -0.67 3.52 -1.26 -5.15 118.95 113.72 1oqa s ARG 5 Ca 0.00 -0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.29 1oqa s ARG 5 Cb 0.00 -0.00 -0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1oqa s ARG 5 CO 0.00 -0.33 0.16 0.15 -0.81 0.00 0.00 175.30 174.48 1oqa s LYS 6 N 1.25 3.89 0.37 5.12 -0.14 -1.26 -4.99 119.74 123.98 1oqa s LYS 6 Ca 0.21 -0.12 0.20 0.00 -1.36 0.00 0.00 55.97 54.90 1oqa s LYS 6 Cb 0.09 -3.32 0.44 0.00 -1.68 0.00 0.00 37.83 33.37 1oqa s LYS 6 CO -0.11 0.50 1.62 -0.84 -0.76 0.00 0.00 175.35 175.76 1oqa h ILE 7 N 4.35 0.61 0.00 2.17 3.07 -1.34 -3.34 117.51 123.04 1oqa h ILE 7 Ca -0.47 -1.61 -0.29 0.00 1.55 0.00 0.00 64.86 64.05 1oqa h ILE 7 Cb 1.19 2.10 -0.04 0.00 -0.27 0.00 0.00 36.82 39.80 1oqa h ILE 7 CO 0.68 0.31 -1.62 0.49 -1.05 0.00 0.00 178.15 176.96 1oqa n PHE 8 N -3.27 0.66 -3.28 0.16 3.72 0.90 -4.22 117.46 112.13 1oqa n PHE 8 Ca 0.02 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.58 1oqa n PHE 8 Cb 0.58 -1.03 0.01 0.00 -0.94 0.00 0.00 39.48 38.10 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 -4.39 -0.89 -0.85 -1.08 0.00 -1.23 -4.55 116.66 103.66 1oqa n ARG 9 Ca -0.37 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 1oqa n ARG 9 Cb 0.72 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.71 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 0.79 0.04 3.32 5.14 0.00 -1.25 -4.97 105.19 108.26 1oqa n GLY 10 Ca -0.03 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 1oqa n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oqa s LEU 11 N -0.85 0.90 -0.18 0.99 1.43 -1.26 -2.36 118.68 117.34 1oqa s LEU 11 Ca 0.00 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.40 1oqa s LEU 11 Cb 0.00 1.37 0.06 0.00 0.03 0.00 0.00 46.19 47.65 1oqa s LEU 11 CO 0.00 -0.86 0.08 -1.61 0.23 0.00 0.00 176.35 174.19 1oqa s GLU 12 N -3.89 0.21 -0.03 1.70 2.02 0.12 0.17 118.70 119.00 1oqa s GLU 12 Ca 0.10 -0.18 0.06 0.00 0.02 0.00 0.00 54.97 54.96 1oqa s GLU 12 Cb 0.03 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.37 1oqa s GLU 12 CO -0.06 -0.67 -0.20 0.42 0.02 0.00 0.00 175.26 174.77 1oqa s ILE 13 N 2.07 1.58 0.04 -1.63 1.01 -0.63 0.17 121.20 123.80 1oqa s ILE 13 Ca 0.02 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.89 1oqa s ILE 13 Cb -0.16 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1oqa s ILE 13 CO -0.10 0.45 -0.18 0.00 0.00 0.00 0.00 174.94 175.11 1oqa s TYR 16 N 2.06 3.00 0.00 0.00 5.04 -1.10 -4.92 117.35 121.43 1oqa s TYR 16 Ca 0.08 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 53.98 1oqa s TYR 16 Cb -0.23 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1oqa s TYR 16 CO 0.08 -1.20 0.00 0.41 -1.34 0.00 0.00 175.55 173.51 1oqa n GLY 17 N 5.23 2.62 0.12 8.97 0.00 -1.26 -4.56 105.19 116.31 1oqa n GLY 17 Ca -0.08 -1.98 0.15 0.00 0.00 0.00 0.00 46.02 44.11 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 0.26 0.90 0.00 1.61 -0.04 -1.26 -4.78 135.00 131.69 1oqa n PRO 18 Ca 0.00 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1oqa n PRO 18 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.84 0.00 0.07 0.54 3.01 -1.26 -3.16 117.46 115.82 1oqa n PHE 19 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 1oqa n PHE 19 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 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 0.01 0.00 4.37 5.66 -1.26 -1.79 114.28 121.27 1oqa n THR 20 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1oqa n THR 20 Cb 0.00 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 1oqa n THR 20 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1oqa n ASN 21 N -2.99 0.00 -2.67 1.09 2.85 -1.19 -4.83 115.26 107.51 1oqa n ASN 21 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1oqa n ASN 21 Cb 0.01 -0.11 0.09 0.00 1.24 0.00 0.00 39.78 41.01 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 -1.87 0.31 -0.44 1.20 0.00 -1.25 -4.97 117.12 110.11 1oqa n MET 22 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 57.70 56.78 1oqa n MET 22 Cb 0.00 -0.24 0.15 0.00 0.00 0.00 0.00 33.22 33.13 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 0.24 2.33 -0.05 2.12 -0.04 -1.26 -4.39 135.00 133.95 1oqa n PRO 23 Ca -0.08 -1.35 -0.10 0.00 -0.04 0.00 0.00 63.50 61.93 1oqa n PRO 23 Cb 0.73 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.32 1.10 0.00 0.52 1.35 -1.87 0.67 112.91 116.01 1oqa h THR 24 Ca 0.09 -0.28 -0.20 0.00 -0.55 0.00 0.00 66.41 65.46 1oqa h THR 24 Cb 1.36 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.68 1oqa h THR 24 CO 0.30 0.10 -1.35 0.44 -0.25 0.00 0.00 175.52 174.76 1oqa h ASP 25 N 0.22 0.00 0.30 5.36 3.32 -2.00 -3.10 116.42 120.52 1oqa h ASP 25 Ca 0.07 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.94 1oqa h ASP 25 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1oqa h ASP 25 CO -0.01 0.75 -0.71 -0.61 -1.72 0.00 0.00 179.24 176.94 1oqa h GLN 26 N 0.00 0.36 -0.03 3.56 4.15 -1.78 -1.88 115.11 119.50 1oqa h GLN 26 Ca -0.17 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 58.93 1oqa h GLN 26 Cb 1.72 0.06 0.00 0.00 0.21 0.00 0.00 27.48 29.47 1oqa h GLN 26 CO 0.07 0.93 -0.12 1.25 -1.93 0.00 0.00 178.83 179.02 1oqa h LEU 27 N 0.25 0.16 -1.97 -2.39 5.85 0.26 -2.91 115.31 114.56 1oqa h LEU 27 Ca -0.03 -0.65 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 1oqa h LEU 27 Cb 1.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1oqa h LEU 27 CO 0.12 0.79 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.58 1oqa h GLU 28 N -0.46 0.00 -0.05 1.25 5.08 -1.59 -2.33 114.58 116.49 1oqa h GLU 28 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1oqa h GLU 28 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1oqa h GLU 28 CO 0.03 0.09 0.01 2.35 -1.00 0.00 0.00 179.01 180.49 1oqa h TRP 29 N 0.00 0.09 -0.20 4.33 7.01 -1.28 -1.05 115.95 124.84 1oqa h TRP 29 Ca -0.00 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1oqa h TRP 29 Cb 0.20 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.18 1oqa h TRP 29 CO 0.00 0.32 -0.19 0.52 -2.79 0.00 0.00 178.44 176.30 1oqa h MET 30 N -0.17 -0.20 -0.39 2.65 2.86 -1.22 0.20 114.93 118.65 1oqa h MET 30 Ca 0.01 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1oqa h MET 30 Cb 0.28 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1oqa h MET 30 CO 0.00 -0.13 0.22 -0.39 1.06 0.00 0.00 176.91 177.67 1oqa h VAL 31 N -0.21 1.03 -0.56 -2.22 -1.51 -1.46 -1.25 116.25 110.06 1oqa h VAL 31 Ca 0.12 -0.15 0.06 0.00 -1.23 0.00 0.00 66.70 65.49 1oqa h VAL 31 Cb 0.39 0.54 -0.03 0.00 -2.13 0.00 0.00 31.29 30.05 1oqa h VAL 31 CO -0.32 0.08 0.37 -0.61 -1.23 0.00 0.00 177.57 175.87 1oqa h GLN 32 N 0.45 0.53 0.00 5.19 4.15 -0.46 0.19 115.11 125.16 1oqa h GLN 32 Ca 0.16 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1oqa h GLN 32 Cb 0.02 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.59 1oqa h GLN 32 CO -0.08 0.35 -0.08 1.25 -1.93 0.00 0.00 178.83 178.34 1oqa h LEU 33 N 0.55 0.00 -0.87 -2.39 5.85 0.52 -2.52 115.31 116.45 1oqa h LEU 33 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1oqa h LEU 33 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1oqa h LEU 33 CO -0.07 0.08 -0.23 0.00 -0.34 0.00 0.00 178.44 177.88 1oqa n GLY 35 N 1.33 1.97 3.38 0.00 0.00 -0.91 -0.07 105.19 110.88 1oqa n GLY 35 Ca 0.13 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -3.51 -2.80 4.61 0.00 -0.94 -3.96 120.51 113.91 1oqa n ALA 36 Ca 0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 53.44 51.88 1oqa n ALA 36 Cb 0.00 -1.77 -0.14 0.00 0.00 0.00 0.00 19.45 17.54 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 -2.13 3.98 -0.00 0.00 0.15 0.46 -3.86 113.70 112.30 1oqa s SER 37 Ca 0.63 -0.28 -0.30 0.00 0.70 0.00 0.00 55.95 56.70 1oqa s SER 37 Cb -0.19 -1.24 -0.05 0.00 -1.71 0.00 0.00 66.02 62.82 1oqa s SER 37 CO 0.66 0.25 1.33 0.68 1.20 0.00 0.00 173.24 177.36 1oqa s VAL 38 N -0.15 3.86 -0.14 4.45 -7.23 -1.26 -1.61 120.40 118.31 1oqa s VAL 38 Ca -0.01 1.24 -0.00 0.00 -1.81 0.00 0.00 61.98 61.40 1oqa s VAL 38 Cb -0.14 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.00 1oqa s VAL 38 CO 0.03 0.01 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.01 1oqa s VAL 39 N 2.20 2.95 -0.00 1.32 1.01 -0.09 -4.90 120.40 122.87 1oqa s VAL 39 Ca 0.61 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1oqa s VAL 39 Cb -0.30 -2.24 -0.25 0.00 0.00 0.00 0.00 36.38 33.59 1oqa s VAL 39 CO 0.26 0.52 0.83 0.07 0.00 0.00 0.00 175.10 176.77 1oqa h LYS 40 N 6.96 0.14 -6.32 2.72 -0.00 -1.95 -3.36 116.57 114.76 1oqa h LYS 40 Ca -0.28 -0.23 -0.60 0.00 -0.00 0.00 0.00 60.65 59.53 1oqa h LYS 40 Cb 1.20 0.09 -0.18 0.00 -0.00 0.00 0.00 32.23 33.34 1oqa h LYS 40 CO 0.56 0.92 -0.80 -1.21 -0.00 0.00 0.00 179.45 178.92 1oqa s GLU 41 N -2.62 1.45 0.26 0.07 2.02 -1.26 -4.92 118.70 113.70 1oqa s GLU 41 Ca -0.07 -1.51 0.06 0.00 0.02 0.00 0.00 54.97 53.46 1oqa s GLU 41 Cb 0.08 -1.65 0.34 0.00 0.10 0.00 0.00 34.13 33.00 1oqa s GLU 41 CO 0.83 0.34 1.62 -0.07 0.02 0.00 0.00 175.26 178.00 1oqa h LEU 42 N 3.10 0.25 -0.77 1.80 3.38 -1.94 -2.80 115.31 118.32 1oqa h LEU 42 Ca -0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 1oqa h LEU 42 Cb 1.21 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1oqa h LEU 42 CO 0.51 0.73 -0.08 -1.28 0.09 0.00 0.00 178.44 178.41 1oqa h SER 43 N 0.18 0.00 0.08 -0.43 0.87 -1.96 -3.05 113.55 109.24 1oqa h SER 43 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1oqa h SER 43 Cb 0.99 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1oqa h SER 43 CO 0.08 0.08 -0.00 0.28 -0.53 0.00 0.00 176.83 176.73 1oqa h SER 44 N 0.00 0.00 -1.39 6.23 0.02 -1.91 -3.41 113.55 113.09 1oqa h SER 44 Ca -0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 1oqa h SER 44 Cb 0.79 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1oqa h SER 44 CO 0.01 0.00 1.64 0.49 -1.14 0.00 0.00 176.83 177.84 1oqa n PHE 45 N -3.15 1.34 -3.63 3.45 3.72 -1.16 -4.83 117.46 113.21 1oqa n PHE 45 Ca -0.03 0.15 -0.03 0.00 -0.05 0.00 0.00 57.45 57.49 1oqa n PHE 45 Cb 0.09 -2.61 -0.05 0.00 -0.94 0.00 0.00 39.48 35.98 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 11.53 0.00 0.00 4.37 -1.32 -1.26 -5.07 115.64 123.89 1oqa s THR 46 Ca 1.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.52 1oqa s THR 46 Cb -0.35 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.64 1oqa s THR 46 CO 0.30 0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.60 1oqa n LEU 47 N 0.68 0.00 0.00 9.08 -0.00 -1.26 -5.00 117.00 120.50 1oqa n LEU 47 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.98 1oqa n LEU 47 Cb 0.58 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1oqa n LEU 47 CO 0.08 -0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 1oqa n GLY 48 N -0.83 0.40 2.49 -3.96 0.00 -1.26 -4.75 105.19 97.28 1oqa n GLY 48 Ca 0.00 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.89 -0.04 2.61 -2.24 -1.26 -4.83 114.28 107.64 1oqa n THR 49 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1oqa n THR 49 Cb 0.00 -2.46 -0.07 0.00 -2.10 0.00 0.00 70.33 65.70 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 -0.96 -0.46 3.15 3.38 0.00 -1.26 -5.03 105.19 104.01 1oqa n GLY 50 Ca -0.19 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.32 1.09 -0.19 1.61 -7.23 -1.26 -4.68 120.40 107.42 1oqa s VAL 51 Ca -0.04 -1.13 -0.16 0.00 -1.81 0.00 0.00 61.98 58.84 1oqa s VAL 51 Cb 0.03 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 1oqa s VAL 51 CO 0.39 -0.11 0.42 -1.00 -0.31 0.00 0.00 175.10 174.49 1oqa s HIS 52 N -1.04 3.40 0.02 2.82 3.76 -1.00 -4.84 115.29 118.41 1oqa s HIS 52 Ca -0.00 0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 55.27 1oqa s HIS 52 Cb -0.09 -2.54 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 1oqa s HIS 52 CO 0.02 0.02 1.08 -1.25 -0.85 0.00 0.00 174.74 173.75 1oqa s PRO 53 N 1.21 4.49 0.04 8.40 0.04 -1.26 0.12 135.00 148.04 1oqa s PRO 53 Ca 0.20 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 1oqa s PRO 53 Cb -0.15 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.95 1oqa s PRO 53 CO 0.08 -0.16 0.03 0.42 0.04 0.00 0.00 177.00 177.40 1oqa s ILE 54 N 1.13 0.15 -0.00 0.56 -1.09 0.45 -4.20 121.20 118.19 1oqa s ILE 54 Ca 0.55 -1.22 0.01 0.00 -2.23 0.00 0.00 60.65 57.75 1oqa s ILE 54 Cb -0.24 -0.87 -0.00 0.00 -1.58 0.00 0.00 42.46 39.77 1oqa s ILE 54 CO 0.28 -0.67 -0.02 -0.69 -1.23 0.00 0.00 174.94 172.60 1oqa s VAL 55 N -2.60 0.19 0.20 2.92 1.01 0.25 -2.65 120.40 119.72 1oqa s VAL 55 Ca -0.05 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1oqa s VAL 55 Cb -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 1oqa s VAL 55 CO -0.05 0.04 -0.04 0.68 0.00 0.00 0.00 175.10 175.73 1oqa s VAL 56 N -0.10 3.43 0.34 2.92 -7.23 -0.24 -0.82 120.40 118.71 1oqa s VAL 56 Ca 0.00 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1oqa s VAL 56 Cb -0.01 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1oqa s VAL 56 CO -0.00 -0.18 0.38 1.33 -0.31 0.00 0.00 175.10 176.32 1oqa n VAL 57 N -0.27 0.00 0.00 1.32 0.24 -0.79 -2.72 118.33 116.11 1oqa n VAL 57 Ca -0.09 -2.15 0.00 0.00 -2.04 0.00 0.00 64.34 60.06 1oqa n VAL 57 Cb 0.56 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 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 -0.61 0.00 -1.48 7.34 7.27 -1.26 -2.92 117.38 125.71 1oqa n GLN 58 Ca 0.04 0.00 -0.47 0.00 0.07 0.00 0.00 57.00 56.65 1oqa n GLN 58 Cb 0.60 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.18 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 1.04 0.00 3.69 -0.02 -1.26 -4.26 135.00 134.19 1oqa n PRO 59 Ca 0.00 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1oqa n PRO 59 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 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 10.98 0.00 -0.66 2.55 -0.08 -1.25 -4.95 116.55 123.13 1oqa n ASP 60 Ca 0.42 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.76 1oqa n ASP 60 Cb 0.28 0.12 0.19 0.00 2.34 0.00 0.00 41.12 44.04 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 -1.58 3.46 -0.02 -1.67 0.00 -0.74 -4.78 120.51 115.18 1oqa n ALA 61 Ca 0.00 -3.17 -0.13 0.00 0.00 0.00 0.00 53.44 50.14 1oqa n ALA 61 Cb 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 1oqa n ALA 61 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1oqa h TRP 62 N 0.94 0.10 0.00 0.00 7.01 -1.87 -3.41 115.95 118.72 1oqa h TRP 62 Ca -0.02 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1oqa h TRP 62 Cb 1.09 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 28.12 1oqa h TRP 62 CO 0.66 0.47 0.00 0.25 -2.79 0.00 0.00 178.44 177.03 1oqa n THR 63 N -4.83 0.00 -2.11 2.65 -2.24 -1.26 -4.97 114.28 101.52 1oqa n THR 63 Ca -0.07 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 1oqa n THR 63 Cb 0.23 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1oqa n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oqa n GLU 64 N -0.81 0.25 -2.91 -0.78 1.02 -1.26 -5.04 120.64 111.11 1oqa n GLU 64 Ca 0.00 -0.98 -0.02 0.00 -0.02 0.00 0.00 57.16 56.14 1oqa n GLU 64 Cb 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1oqa n GLU 64 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1oqa n ASP 65 N -0.29 -7.46 -0.03 1.62 9.92 -1.26 -5.01 116.55 114.04 1oqa n ASP 65 Ca -0.24 0.07 -0.02 0.00 -0.53 0.00 0.00 54.79 54.06 1oqa n ASP 65 Cb 0.71 -5.05 -0.01 0.00 -0.64 0.00 0.00 41.12 36.13 1oqa n ASP 65 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1oqa n ASN 66 N -1.38 0.74 -3.05 -2.24 5.03 -1.26 -5.00 115.26 108.09 1oqa n ASN 66 Ca 0.03 0.31 0.02 0.00 0.87 0.00 0.00 54.58 55.81 1oqa n ASN 66 Cb 0.48 -0.63 -0.00 0.00 -1.02 0.00 0.00 39.78 38.61 1oqa n ASN 66 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1oqa s GLY 67 N -3.39 -1.32 0.00 7.41 0.00 -1.26 -5.00 107.32 103.77 1oqa s GLY 67 Ca -0.08 0.92 0.18 0.00 0.00 0.00 0.00 44.72 45.74 1oqa s GLY 67 CO 0.12 3.94 1.42 0.33 0.00 0.00 0.00 173.10 178.90 1oqa n PHE 68 N 4.40 0.46 -1.31 1.90 7.35 -1.26 -4.45 117.46 124.56 1oqa n PHE 68 Ca 0.08 -0.23 -0.22 0.00 -0.76 0.00 0.00 57.45 56.32 1oqa n PHE 68 Cb 0.59 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.34 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 0.78 1.14 -2.04 -5.13 8.25 -1.26 -3.72 115.22 113.25 1oqa n HIS 69 Ca 0.16 -1.81 -0.01 0.00 -0.26 0.00 0.00 57.72 55.81 1oqa n HIS 69 Cb 0.41 -1.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.11 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 1.28 2.32 0.04 -1.41 0.00 -1.26 -4.92 120.51 116.56 1oqa n ALA 70 Ca 0.45 -0.52 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 1oqa n ALA 70 Cb 0.65 -0.22 0.15 0.00 0.00 0.00 0.00 19.45 20.02 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 5.61 1.31 0.00 0.00 1.08 -1.92 -2.75 117.51 120.84 1oqa h ILE 71 Ca -0.11 -1.60 -0.02 0.00 -0.39 0.00 0.00 64.86 62.74 1oqa h ILE 71 Cb 1.23 1.66 -0.00 0.00 -3.07 0.00 0.00 36.82 36.63 1oqa h ILE 71 CO -0.04 0.49 -0.41 1.23 -0.69 0.00 0.00 178.15 178.73 1oqa h GLY 72 N 1.16 0.00 2.00 5.37 0.00 -1.92 -2.65 103.07 107.03 1oqa h GLY 72 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1oqa h GLY 72 CO 0.08 0.00 -0.45 -1.61 0.00 0.00 0.00 176.54 174.55 1oqa h GLN 73 N 0.00 0.00 0.00 4.80 4.15 -1.88 -3.27 115.11 118.92 1oqa h GLN 73 Ca -0.01 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.11 1oqa h GLN 73 Cb 1.08 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 1oqa h GLN 73 CO 0.01 0.45 -1.92 -1.33 -1.93 0.00 0.00 178.83 174.11 1oqa n MET 74 N -3.31 0.65 -4.17 1.69 2.81 -1.05 -4.96 117.12 108.77 1oqa n MET 74 Ca 0.01 0.17 -0.16 0.00 -1.81 0.00 0.00 57.70 55.92 1oqa n MET 74 Cb 0.66 -1.69 -0.11 0.00 -0.71 0.00 0.00 33.22 31.36 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 0.81 0.70 -0.57 0.00 2.13 -1.26 -4.26 120.64 118.19 1oqa n GLU 76 Ca -0.18 0.21 -0.30 0.00 0.66 0.00 0.00 57.16 57.55 1oqa n GLU 76 Cb 0.56 -1.66 0.22 0.00 0.27 0.00 0.00 31.44 30.84 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oqa n ALA 77 N -2.94 -3.73 -1.70 4.31 0.00 -1.26 -4.98 120.51 110.21 1oqa n ALA 77 Ca -0.32 -1.30 -0.31 0.00 0.00 0.00 0.00 53.44 51.51 1oqa n ALA 77 Cb 1.05 -1.70 0.05 0.00 0.00 0.00 0.00 19.45 18.84 1oqa n ALA 77 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1oqa s PRO 78 N -3.87 2.90 -0.12 0.00 0.04 -1.26 -4.83 135.00 127.87 1oqa s PRO 78 Ca 0.61 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1oqa s PRO 78 Cb -0.18 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1oqa s PRO 78 CO 0.65 -1.07 -0.11 0.08 0.04 0.00 0.00 177.00 176.59 1oqa s VAL 79 N -3.16 1.30 -0.02 -0.36 1.01 -1.25 -0.59 120.40 117.34 1oqa s VAL 79 Ca 0.58 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1oqa s VAL 79 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1oqa s VAL 79 CO 0.54 0.41 0.05 0.68 0.00 0.00 0.00 175.10 176.78 1oqa s VAL 80 N 1.45 0.00 1.01 2.92 -7.23 0.00 -2.48 120.40 116.08 1oqa s VAL 80 Ca 0.02 -0.01 -0.13 0.00 -1.81 0.00 0.00 61.98 60.05 1oqa s VAL 80 Cb -0.13 -0.08 0.11 0.00 0.56 0.00 0.00 36.38 36.85 1oqa s VAL 80 CO -0.07 -0.00 0.59 0.35 -0.31 0.00 0.00 175.10 175.65 1oqa n THR 81 N 3.04 0.00 0.34 5.32 -2.24 -0.31 -1.89 114.28 118.53 1oqa n THR 81 Ca -0.12 -0.21 0.19 0.00 -2.27 0.00 0.00 64.05 61.64 1oqa n THR 81 Cb 0.60 -0.76 0.99 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.91 0.00 -0.97 -0.78 0.11 -1.89 -2.29 114.38 106.64 1oqa h ARG 82 Ca -0.48 0.00 0.26 0.00 0.10 0.00 0.00 59.98 59.86 1oqa h ARG 82 Cb 1.30 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.25 1oqa h ARG 82 CO 0.39 0.00 0.51 0.93 0.10 0.00 0.00 179.97 181.90 1oqa h GLU 83 N 0.00 0.42 0.65 0.08 5.08 -1.90 0.26 114.58 119.17 1oqa h GLU 83 Ca 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1oqa h GLU 83 Cb 0.39 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1oqa h GLU 83 CO -0.00 0.28 -0.37 2.35 -1.00 0.00 0.00 179.01 180.27 1oqa h TRP 84 N 0.43 -0.97 -0.82 4.33 7.01 -1.73 0.91 115.95 125.12 1oqa h TRP 84 Ca 0.65 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.71 1oqa h TRP 84 Cb 1.31 0.34 -0.07 0.00 -2.10 0.00 0.00 29.16 28.65 1oqa h TRP 84 CO -0.06 -0.57 0.48 0.28 -2.79 0.00 0.00 178.44 175.78 1oqa h VAL 85 N -0.95 0.95 0.31 2.65 2.07 -1.20 0.38 116.25 120.46 1oqa h VAL 85 Ca -0.08 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1oqa h VAL 85 Cb 0.76 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1oqa h VAL 85 CO 0.10 0.15 -0.15 0.25 0.02 0.00 0.00 177.57 177.94 1oqa h LEU 86 N 0.83 -0.36 -1.91 2.57 5.85 -0.33 0.31 115.31 122.28 1oqa h LEU 86 Ca 0.38 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1oqa h LEU 86 Cb 0.29 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1oqa h LEU 86 CO -0.22 0.10 0.27 -0.78 -0.34 0.00 0.00 178.44 177.48 1oqa h ASP 87 N -0.95 0.09 0.01 1.25 1.82 0.10 0.95 116.42 119.68 1oqa h ASP 87 Ca -0.04 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1oqa h ASP 87 Cb 0.51 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1oqa h ASP 87 CO 0.07 0.05 -0.00 0.28 -1.61 0.00 0.00 179.24 178.03 1oqa h SER 88 N 0.10 -0.01 0.65 2.28 0.02 -0.24 -2.98 113.55 113.37 1oqa h SER 88 Ca 0.18 -0.82 -0.10 0.00 -0.84 0.00 0.00 61.79 60.22 1oqa h SER 88 Cb 0.60 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1oqa h SER 88 CO -0.02 0.83 -0.48 0.58 -1.14 0.00 0.00 176.83 176.60 1oqa h VAL 89 N -0.87 1.20 0.56 2.27 2.07 -0.44 1.05 116.25 122.08 1oqa h VAL 89 Ca -0.00 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1oqa h VAL 89 Cb 0.82 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1oqa h VAL 89 CO 0.00 0.47 -0.27 0.00 0.02 0.00 0.00 177.57 177.80 1oqa h ALA 90 N 1.52 -0.75 0.00 1.67 0.00 0.82 -3.26 119.26 119.26 1oqa h ALA 90 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1oqa h ALA 90 Cb 0.93 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1oqa h ALA 90 CO 0.06 -0.75 -0.47 -0.11 0.00 0.00 0.00 179.25 177.98 1oqa n LEU 91 N -5.30 0.47 -2.52 0.00 7.94 -1.13 -5.01 117.00 111.46 1oqa n LEU 91 Ca -0.11 0.08 -0.06 0.00 -1.11 0.00 0.00 56.01 54.81 1oqa n LEU 91 Cb 0.33 -0.27 0.01 0.00 0.53 0.00 0.00 43.42 44.02 1oqa n LEU 91 CO 0.29 0.09 0.04 -1.22 -1.11 0.00 0.00 177.39 175.48 1oqa n TYR 92 N -1.58 -2.63 -3.63 1.96 4.01 0.35 -5.06 117.16 110.58 1oqa n TYR 92 Ca 0.05 1.06 0.02 0.00 -0.16 0.00 0.00 57.90 58.87 1oqa n TYR 92 Cb 0.35 -3.46 -0.06 0.00 -0.31 0.00 0.00 39.34 35.86 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 -2.23 0.10 -0.97 -0.72 -0.44 -0.28 -4.95 119.66 110.17 1oqa s GLN 93 Ca 0.18 0.18 -0.25 0.00 -2.50 0.00 0.00 55.36 52.97 1oqa s GLN 93 Cb -0.05 0.03 -0.13 0.00 -1.64 0.00 0.00 33.01 31.21 1oqa s GLN 93 CO 0.58 -0.02 2.14 0.00 0.50 0.00 0.00 175.29 178.49 1oqa s GLN 95 N 7.93 -0.37 0.60 0.00 -1.52 -1.26 -5.02 119.66 120.02 1oqa s GLN 95 Ca 0.80 0.34 -0.13 0.00 -1.95 0.00 0.00 55.36 54.42 1oqa s GLN 95 Cb -0.07 -1.66 -0.04 0.00 -0.22 0.00 0.00 33.01 31.02 1oqa s GLN 95 CO 0.10 -3.23 1.03 -1.21 -0.25 0.00 0.00 175.29 171.73 1oqa s GLU 96 N -5.04 3.51 -0.05 2.91 0.41 -1.26 -4.99 118.70 114.18 1oqa s GLU 96 Ca 0.67 0.93 0.19 0.00 -0.41 0.00 0.00 54.97 56.35 1oqa s GLU 96 Cb -0.17 -2.07 -0.24 0.00 -1.78 0.00 0.00 34.13 29.88 1oqa s GLU 96 CO 0.58 -0.64 0.47 1.28 -0.49 0.00 0.00 175.26 176.45 1oqa n LEU 97 N -2.38 0.29 0.29 1.80 4.32 -1.26 -4.14 117.00 115.91 1oqa n LEU 97 Ca 0.07 0.12 0.17 0.00 -0.02 0.00 0.00 56.01 56.35 1oqa n LEU 97 Cb 0.54 0.19 0.82 0.00 -1.62 0.00 0.00 43.42 43.35 1oqa n LEU 97 CO 0.52 0.20 1.03 -0.78 -1.22 0.00 0.00 177.39 177.14 1oqa h ASP 98 N 0.00 0.00 1.52 -1.43 3.58 -1.94 0.45 116.42 118.60 1oqa h ASP 98 Ca -0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.22 1oqa h ASP 98 Cb 1.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.64 1oqa h ASP 98 CO 0.02 0.05 0.00 0.74 -2.88 0.00 0.00 179.24 177.17 1oqa h THR 99 N 0.00 0.00 0.00 2.25 2.02 -1.99 -3.30 112.91 111.89 1oqa h THR 99 Ca -0.00 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 1oqa h THR 99 Cb 0.35 1.63 -0.13 0.00 -1.74 0.00 0.00 68.15 68.25 1oqa h THR 99 CO 0.01 0.00 -0.67 -1.22 0.37 0.00 0.00 175.52 174.01 1oqa n TYR 100 N -2.74 0.00 -2.67 3.16 4.02 -0.73 -5.04 117.16 113.16 1oqa n TYR 100 Ca 0.04 -0.24 -0.42 0.00 -0.01 0.00 0.00 57.90 57.27 1oqa n TYR 100 Cb 0.42 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 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 -0.16 3.64 -0.10 7.72 0.20 0.15 -1.17 118.68 128.97 1oqa s LEU 101 Ca 0.13 -0.55 -0.07 0.00 0.69 0.00 0.00 54.13 54.33 1oqa s LEU 101 Cb 0.15 -2.60 0.03 0.00 -0.43 0.00 0.00 46.19 43.34 1oqa s LEU 101 CO -0.06 -1.63 0.14 -0.38 -0.29 0.00 0.00 176.35 174.13 1oqa n ILE 102 N 6.25-11.28 -0.99 6.68 5.41 -1.03 -4.96 119.36 119.44 1oqa n ILE 102 Ca 0.01 2.51 -0.11 0.00 1.00 0.00 0.00 62.75 66.16 1oqa n ILE 102 Cb 0.48 -5.76 0.09 0.00 -0.71 0.00 0.00 39.64 33.73 1oqa n ILE 102 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1oqa n PRO 103 N 1.87 -1.22 -1.48 0.38 -0.04 -1.26 -5.04 135.00 128.20 1oqa n PRO 103 Ca -0.24 -0.71 -0.01 0.00 -0.04 0.00 0.00 63.50 62.51 1oqa n PRO 103 Cb 0.37 -0.57 -0.01 0.00 -0.04 0.00 0.00 33.50 33.25 1oqa n PRO 103 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1oqa n GLN 104 N -2.44 0.22 -3.79 0.54 6.02 -1.26 -5.09 117.38 111.58 1oqa n GLN 104 Ca 0.06 -1.67 -0.36 0.00 -0.01 0.00 0.00 57.00 55.01 1oqa n GLN 104 Cb 0.22 0.10 -0.13 0.00 1.02 0.00 0.00 30.24 31.45 1oqa n GLN 104 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1oqa s ILE 105 N -0.28 3.96 -1.14 5.09 1.01 -1.26 -5.01 121.20 123.57 1oqa s ILE 105 Ca 0.19 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1oqa s ILE 105 Cb 0.24 -2.91 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 1oqa s ILE 105 CO -0.09 0.27 2.35 -0.81 0.00 0.00 0.00 174.94 176.66 1oqa n PRO 106 N 4.87 2.55 -3.77 2.79 -0.04 -1.26 -4.85 135.00 135.29 1oqa n PRO 106 Ca -0.16 -1.77 -0.37 0.00 -0.04 0.00 0.00 63.50 61.16 1oqa n PRO 106 Cb 0.50 -2.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.20 1oqa n PRO 106 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1oqa s HIS 107 N 3.17 3.14 0.00 0.54 2.46 -1.26 -4.99 115.29 118.35 1oqa s HIS 107 Ca 0.50 -0.94 0.00 0.00 0.47 0.00 0.00 55.06 55.09 1oqa s HIS 107 Cb 0.13 -2.25 0.00 0.00 -0.13 0.00 0.00 32.58 30.33 1oqa s HIS 107 CO -0.03 -0.56 0.00 -1.13 -2.47 0.00 0.00 174.74 170.55 1oqa n SER 108 N 4.87 0.00 -4.53 9.88 3.41 -1.26 -4.94 113.62 121.05 1oqa n SER 108 Ca -0.15 0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.17 1oqa n SER 108 Cb 0.48 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 1oqa n SER 108 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1oqa s HIS 109 N -0.83 3.17 -2.84 7.33 -3.43 -1.26 -4.97 115.29 112.46 1oqa s HIS 109 Ca 0.00 -0.13 0.25 0.00 -0.80 0.00 0.00 55.06 54.39 1oqa s HIS 109 Cb 0.00 -2.34 0.47 0.00 -1.43 0.00 0.00 32.58 29.28 1oqa s HIS 109 CO 0.00 -0.26 1.42 0.98 -2.00 0.00 0.00 174.74 174.88