#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 6.49 -0.10 1.61 0.15 -1.26 -5.03 113.70 115.56 1oqa s SER 2 Ca 0.00 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 56.94 1oqa s SER 2 Cb 0.00 -2.11 -0.07 0.00 -1.71 0.00 0.00 66.02 62.13 1oqa s SER 2 CO 0.00 0.37 2.11 1.67 1.20 0.00 0.00 173.24 178.60 1oqa n GLN 3 N 1.84 2.38 0.00 5.44 -0.06 -1.26 -4.51 117.38 121.21 1oqa n GLN 3 Ca -0.18 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.60 1oqa n GLN 3 Cb 0.54 -3.14 0.00 0.00 -4.06 0.00 0.00 30.24 23.58 1oqa n GLN 3 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1oqa n ASP 4 N 9.82 0.00 -2.81 1.69 9.92 -1.26 -5.09 116.55 128.82 1oqa n ASP 4 Ca 0.25 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.54 1oqa n ASP 4 Cb 0.43 0.25 0.01 0.00 -0.64 0.00 0.00 41.12 41.17 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 -1.54 0.07 0.05 -1.24 3.52 -1.26 -5.17 118.95 113.39 1oqa s ARG 5 Ca 0.00 -0.01 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 1oqa s ARG 5 Cb 0.00 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.37 1oqa s ARG 5 CO 0.00 -0.11 -0.08 0.15 -0.81 0.00 0.00 175.30 174.45 1oqa s LYS 6 N 2.23 2.36 0.15 5.12 -0.14 -1.26 -4.96 119.74 123.24 1oqa s LYS 6 Ca 0.18 -0.87 0.21 0.00 -1.36 0.00 0.00 55.97 54.14 1oqa s LYS 6 Cb 0.03 -2.41 -0.06 0.00 -1.68 0.00 0.00 37.83 33.71 1oqa s LYS 6 CO -0.18 0.55 0.93 0.44 -0.76 0.00 0.00 175.35 176.34 1oqa n ILE 7 N 1.11 0.66 -0.10 2.17 -6.64 0.32 -4.37 119.36 112.52 1oqa n ILE 7 Ca -0.14 -0.57 -0.24 0.00 -1.77 0.00 0.00 62.75 60.03 1oqa n ILE 7 Cb 0.52 -0.37 -0.12 0.00 -1.44 0.00 0.00 39.64 38.23 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 -2.67 0.71 -3.18 4.28 3.72 0.11 -4.18 117.46 116.25 1oqa n PHE 8 Ca -0.03 0.26 -0.15 0.00 -0.05 0.00 0.00 57.45 57.48 1oqa n PHE 8 Cb 0.61 -1.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.09 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 -4.12 -0.86 -1.54 -1.08 0.63 -1.24 -4.23 116.66 104.22 1oqa n ARG 9 Ca -0.39 0.97 -0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1oqa n ARG 9 Cb 0.83 -1.30 0.00 0.00 0.45 0.00 0.00 32.46 32.44 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 0.69 0.09 2.96 5.14 0.00 -1.26 -4.91 105.19 107.91 1oqa n GLY 10 Ca -0.03 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.41 -0.06 -0.22 0.99 0.20 -1.26 -2.52 118.68 113.39 1oqa s LEU 11 Ca 0.00 0.49 -0.16 0.00 0.69 0.00 0.00 54.13 55.16 1oqa s LEU 11 Cb -0.00 0.57 -0.04 0.00 -0.43 0.00 0.00 46.19 46.29 1oqa s LEU 11 CO 0.02 -0.22 0.40 -1.61 -0.29 0.00 0.00 176.35 174.64 1oqa s GLU 12 N 2.12 4.13 -0.02 1.98 2.02 0.87 0.16 118.70 129.96 1oqa s GLU 12 Ca -0.01 0.16 0.02 0.00 0.02 0.00 0.00 54.97 55.17 1oqa s GLU 12 Cb -0.12 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.54 1oqa s GLU 12 CO -0.08 -0.12 -0.08 0.42 0.02 0.00 0.00 175.26 175.42 1oqa s ILE 13 N 1.57 0.73 0.01 -1.63 1.01 -0.99 0.15 121.20 122.04 1oqa s ILE 13 Ca 0.18 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1oqa s ILE 13 Cb -0.15 -0.65 -0.01 0.00 0.01 0.00 0.00 42.46 41.66 1oqa s ILE 13 CO 0.08 0.23 -0.06 0.00 0.00 0.00 0.00 174.94 175.19 1oqa s TYR 16 N 1.47 3.02 0.00 0.00 5.04 -0.85 -4.93 117.35 121.10 1oqa s TYR 16 Ca 0.00 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 53.96 1oqa s TYR 16 Cb -0.20 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.39 1oqa s TYR 16 CO 0.04 -1.14 0.00 0.41 -1.34 0.00 0.00 175.55 173.52 1oqa n GLY 17 N 5.21 3.43 0.13 8.97 0.00 -1.26 -4.69 105.19 116.99 1oqa n GLY 17 Ca -0.07 -1.87 0.13 0.00 0.00 0.00 0.00 46.02 44.20 1oqa n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oqa h PRO 18 N 0.00 0.00 0.00 1.61 0.13 -1.91 -3.45 132.00 128.38 1oqa h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1oqa h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1oqa h PRO 18 CO 0.00 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.96 1oqa n PHE 19 N -2.43 0.00 0.00 1.56 3.01 -1.26 -3.72 117.46 114.62 1oqa n PHE 19 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1oqa n PHE 19 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 1oqa n PHE 19 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1oqa n THR 20 N 0.00 0.00 0.00 4.37 -2.24 -1.26 -0.20 114.28 114.95 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 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1oqa n THR 20 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oqa n ASN 21 N -1.03 0.00 -2.70 3.42 2.85 -1.24 -4.69 115.26 111.87 1oqa n ASN 21 Ca 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.40 1oqa n ASN 21 Cb 0.00 -0.31 0.09 0.00 1.24 0.00 0.00 39.78 40.80 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 -2.36 0.94 -0.07 1.20 0.00 -1.26 -4.98 117.12 110.60 1oqa n MET 22 Ca 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 57.70 56.10 1oqa n MET 22 Cb 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 33.22 32.97 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 -0.26 1.32 -0.35 2.12 -0.04 -1.26 -4.12 135.00 132.41 1oqa n PRO 23 Ca -0.04 -0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 62.93 1oqa n PRO 23 Cb 0.78 -1.12 0.13 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.78 1.17 0.00 0.52 1.35 -1.87 0.98 112.91 115.83 1oqa h THR 24 Ca 0.00 -0.41 -0.17 0.00 -0.55 0.00 0.00 66.41 65.28 1oqa h THR 24 Cb 0.19 -0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 66.44 1oqa h THR 24 CO 0.00 0.22 -1.22 0.44 -0.25 0.00 0.00 175.52 174.72 1oqa h ASP 25 N 1.20 0.00 0.75 5.36 3.32 -2.00 -3.10 116.42 121.96 1oqa h ASP 25 Ca 0.38 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.24 1oqa h ASP 25 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1oqa h ASP 25 CO -0.12 0.62 -0.89 -0.61 -1.72 0.00 0.00 179.24 176.52 1oqa h GLN 26 N 0.00 0.09 -0.02 3.56 4.15 -1.64 -2.50 115.11 118.74 1oqa h GLN 26 Ca -0.13 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.10 1oqa h GLN 26 Cb 1.59 0.03 0.01 0.00 0.21 0.00 0.00 27.48 29.32 1oqa h GLN 26 CO 0.06 0.91 -0.34 1.25 -1.93 0.00 0.00 178.83 178.78 1oqa h LEU 27 N 0.04 0.34 -1.73 -2.39 5.85 0.88 -2.71 115.31 115.58 1oqa h LEU 27 Ca -0.03 -0.73 -0.04 0.00 0.84 0.00 0.00 57.88 57.93 1oqa h LEU 27 Cb 1.54 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1oqa h LEU 27 CO 0.12 1.02 -0.17 1.05 -0.34 0.00 0.00 178.44 180.12 1oqa h GLU 28 N -0.31 0.00 0.05 1.25 4.11 -1.61 -2.22 114.58 115.84 1oqa h GLU 28 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.39 1oqa h GLU 28 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1oqa h GLU 28 CO 0.07 0.17 -0.02 2.35 0.07 0.00 0.00 179.01 181.65 1oqa h TRP 29 N 0.00 -0.06 -0.38 2.06 7.01 -1.43 -1.46 115.95 121.69 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 0.37 0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.39 1oqa h TRP 29 CO 0.00 0.36 0.06 0.52 -2.79 0.00 0.00 178.44 176.60 1oqa h MET 30 N -0.50 0.18 -0.50 2.65 2.86 -1.16 0.80 114.93 119.26 1oqa h MET 30 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1oqa h MET 30 Cb 0.45 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 1oqa h MET 30 CO 0.01 0.12 0.32 -0.39 1.06 0.00 0.00 176.91 178.03 1oqa h VAL 31 N 0.19 1.14 -0.46 -2.22 -1.51 -1.43 -1.30 116.25 110.67 1oqa h VAL 31 Ca 0.18 -0.30 0.05 0.00 -1.23 0.00 0.00 66.70 65.40 1oqa h VAL 31 Cb 0.22 0.44 -0.03 0.00 -2.13 0.00 0.00 31.29 29.80 1oqa h VAL 31 CO -0.25 0.14 0.30 -0.61 -1.23 0.00 0.00 177.57 175.93 1oqa h GLN 32 N 0.68 0.42 0.00 5.19 4.15 -0.44 0.19 115.11 125.31 1oqa h GLN 32 Ca 0.18 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1oqa h GLN 32 Cb -0.04 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1oqa h GLN 32 CO -0.04 0.28 -0.07 1.25 -1.93 0.00 0.00 178.83 178.32 1oqa h LEU 33 N 0.44 0.00 -0.86 -2.39 5.85 0.28 -2.46 115.31 116.16 1oqa h LEU 33 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1oqa h LEU 33 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1oqa h LEU 33 CO -0.05 0.07 -0.22 0.00 -0.34 0.00 0.00 178.44 177.91 1oqa n GLY 35 N 1.32 1.63 3.64 0.00 0.00 -0.93 0.08 105.19 110.93 1oqa n GLY 35 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.02 -0.61 -2.76 4.61 0.00 -0.94 -3.98 120.51 116.80 1oqa n ALA 36 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.68 1oqa n ALA 36 Cb 0.00 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.22 1oqa n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1oqa s SER 37 N -2.15 6.27 -0.26 0.00 0.01 0.42 -3.65 113.70 114.33 1oqa s SER 37 Ca 0.70 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.97 1oqa s SER 37 Cb -0.28 -2.09 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1oqa s SER 37 CO 0.55 0.22 1.51 0.68 0.41 0.00 0.00 173.24 176.62 1oqa s VAL 38 N 0.06 3.84 -0.31 3.43 -7.23 -1.26 -2.34 120.40 116.59 1oqa s VAL 38 Ca 0.10 0.94 -0.12 0.00 -1.81 0.00 0.00 61.98 61.09 1oqa s VAL 38 Cb -0.11 -3.87 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 1oqa s VAL 38 CO -0.00 -0.37 0.21 -0.69 -0.31 0.00 0.00 175.10 173.93 1oqa s VAL 39 N 5.00 5.26 0.11 1.32 1.01 -0.69 -4.95 120.40 127.46 1oqa s VAL 39 Ca 0.66 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.44 1oqa s VAL 39 Cb -0.22 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 1oqa s VAL 39 CO 0.28 0.14 1.69 0.50 0.00 0.00 0.00 175.10 177.71 1oqa h LYS 40 N 8.42 0.35 -4.90 2.72 1.63 -1.94 -3.38 116.57 119.46 1oqa h LYS 40 Ca -0.33 -0.05 -0.37 0.00 -0.85 0.00 0.00 60.65 59.05 1oqa h LYS 40 Cb 1.17 -0.06 -0.14 0.00 -0.60 0.00 0.00 32.23 32.60 1oqa h LYS 40 CO 0.59 0.33 -0.60 -1.21 -3.45 0.00 0.00 179.45 175.11 1oqa s GLU 41 N -5.78 1.47 0.12 1.90 2.02 -1.26 -4.87 118.70 112.29 1oqa s GLU 41 Ca -0.13 -1.81 -0.16 0.00 0.02 0.00 0.00 54.97 52.89 1oqa s GLU 41 Cb 0.08 -0.26 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 1oqa s GLU 41 CO 0.71 -0.32 1.59 -0.07 0.02 0.00 0.00 175.26 177.18 1oqa h LEU 42 N 2.33 0.58 -2.20 1.80 3.38 -1.97 -2.61 115.31 116.62 1oqa h LEU 42 Ca -0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1oqa h LEU 42 Cb 1.25 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1oqa h LEU 42 CO 0.59 0.71 -0.02 0.28 0.09 0.00 0.00 178.44 180.08 1oqa h SER 43 N 0.44 0.00 -0.04 -0.43 0.02 -1.97 -1.31 113.55 110.26 1oqa h SER 43 Ca 0.11 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1oqa h SER 43 Cb 0.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1oqa h SER 43 CO 0.01 0.02 0.07 0.28 -1.14 0.00 0.00 176.83 176.07 1oqa h SER 44 N 0.00 0.00 -2.01 3.07 0.02 -1.87 -3.42 113.55 109.34 1oqa h SER 44 Ca -0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1oqa h SER 44 Cb 0.05 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.62 1oqa h SER 44 CO 0.00 0.00 0.94 0.49 -1.14 0.00 0.00 176.83 177.13 1oqa n PHE 45 N -3.52 2.22 -3.51 3.45 3.72 -0.50 -4.96 117.46 114.36 1oqa n PHE 45 Ca -0.02 0.19 -0.20 0.00 -0.05 0.00 0.00 57.45 57.37 1oqa n PHE 45 Cb 0.16 -2.58 -0.13 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 2.87 -0.28 0.64 4.37 -1.32 -1.26 -5.12 115.64 115.54 1oqa s THR 46 Ca 0.89 -0.19 -0.18 0.00 -1.21 0.00 0.00 61.69 61.00 1oqa s THR 46 Cb -0.76 -0.70 -0.02 0.00 -1.51 0.00 0.00 72.50 69.52 1oqa s THR 46 CO 0.49 -0.27 1.30 -0.76 -2.21 0.00 0.00 174.62 173.17 1oqa s LEU 47 N 2.28 3.60 0.00 9.08 1.02 -1.26 -4.91 118.68 128.49 1oqa s LEU 47 Ca 0.06 2.63 0.00 0.00 0.02 0.00 0.00 54.13 56.85 1oqa s LEU 47 Cb -0.16 -4.59 0.00 0.00 0.02 0.00 0.00 46.19 41.47 1oqa s LEU 47 CO -0.14 -1.96 0.00 0.61 0.02 0.00 0.00 176.35 174.88 1oqa n GLY 48 N 0.87 3.62 0.07 -3.19 0.00 -1.26 -4.99 105.19 100.32 1oqa n GLY 48 Ca 0.15 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 1oqa n GLY 48 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1oqa h THR 49 N 0.00 1.46 0.00 2.61 1.35 -2.01 -3.43 112.91 112.89 1oqa h THR 49 Ca 0.00 -3.19 -0.02 0.00 -0.55 0.00 0.00 66.41 62.65 1oqa h THR 49 Cb 0.00 2.75 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1oqa h THR 49 CO 0.00 0.85 -0.04 0.61 -0.25 0.00 0.00 175.52 176.69 1oqa n GLY 50 N 1.44 -0.48 3.60 5.82 0.00 -1.26 -5.13 105.19 109.18 1oqa n GLY 50 Ca -0.06 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 0.01 5.10 -0.10 1.61 -7.23 -1.25 -4.63 120.40 113.91 1oqa s VAL 51 Ca 0.01 0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 60.68 1oqa s VAL 51 Cb 0.05 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 1oqa s VAL 51 CO -0.01 0.04 0.33 -2.28 -0.31 0.00 0.00 175.10 172.87 1oqa s HIS 52 N 2.24 3.57 -0.11 2.82 2.46 -1.05 -4.50 115.29 120.73 1oqa s HIS 52 Ca 0.18 0.75 -0.29 0.00 0.47 0.00 0.00 55.06 56.17 1oqa s HIS 52 Cb -0.16 -2.29 -0.01 0.00 -0.13 0.00 0.00 32.58 29.99 1oqa s HIS 52 CO 0.10 0.43 0.98 -1.25 -2.47 0.00 0.00 174.74 172.54 1oqa s PRO 53 N -0.23 4.41 0.04 2.88 0.04 -1.26 -0.09 135.00 140.80 1oqa s PRO 53 Ca 0.20 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.60 1oqa s PRO 53 Cb -0.14 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 1oqa s PRO 53 CO 0.08 -0.30 -0.09 0.42 0.04 0.00 0.00 177.00 177.15 1oqa s ILE 54 N 1.95 0.66 0.12 0.56 -1.09 0.39 -4.22 121.20 119.56 1oqa s ILE 54 Ca 0.47 -1.00 0.07 0.00 -2.23 0.00 0.00 60.65 57.97 1oqa s ILE 54 Cb -0.18 -0.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.99 1oqa s ILE 54 CO 0.18 -0.26 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.75 1oqa s VAL 55 N -1.16 1.59 -0.08 2.92 1.01 0.67 -2.57 120.40 122.78 1oqa s VAL 55 Ca -0.06 -1.62 0.04 0.00 0.00 0.00 0.00 61.98 60.33 1oqa s VAL 55 Cb -0.09 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1oqa s VAL 55 CO 0.01 -0.20 -0.19 -0.69 0.00 0.00 0.00 175.10 174.02 1oqa s VAL 56 N -1.54 1.67 -0.08 2.92 1.01 0.21 0.12 120.40 124.71 1oqa s VAL 56 Ca 0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 1oqa s VAL 56 Cb -0.08 -1.45 0.05 0.00 0.00 0.00 0.00 36.38 34.89 1oqa s VAL 56 CO 0.04 0.47 0.16 0.68 0.00 0.00 0.00 175.10 176.45 1oqa s VAL 57 N 0.35 -0.25 -0.38 2.92 -7.23 -0.69 -2.00 120.40 113.13 1oqa s VAL 57 Ca -0.14 0.35 0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1oqa s VAL 57 Cb -0.16 -0.29 0.15 0.00 0.56 0.00 0.00 36.38 36.65 1oqa s VAL 57 CO 0.06 0.15 0.28 -1.58 -0.31 0.00 0.00 175.10 173.69 1oqa s GLN 58 N 2.25 0.69 0.25 4.82 -0.44 -1.26 -2.55 119.66 123.41 1oqa s GLN 58 Ca 0.03 -1.59 -0.30 0.00 -2.50 0.00 0.00 55.36 51.00 1oqa s GLN 58 Cb -0.12 -1.28 -0.10 0.00 -1.64 0.00 0.00 33.01 29.87 1oqa s GLN 58 CO -0.06 -1.28 1.41 -1.25 0.50 0.00 0.00 175.29 174.61 1oqa s PRO 59 N 0.71 4.29 0.00 1.67 0.04 -1.26 -4.24 135.00 136.21 1oqa s PRO 59 Ca 0.24 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1oqa s PRO 59 Cb -0.12 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1oqa s PRO 59 CO -0.07 -0.38 0.00 -3.47 0.04 0.00 0.00 177.00 173.12 1oqa n ASP 60 N 2.28 0.00 -1.85 6.66 2.03 -1.24 -4.96 116.55 119.47 1oqa n ASP 60 Ca 0.06 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.20 1oqa n ASP 60 Cb 0.41 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.57 5.16 0.02 -1.67 0.00 0.72 -4.45 120.51 119.72 1oqa n ALA 61 Ca 0.00 -3.00 -0.14 0.00 0.00 0.00 0.00 53.44 50.30 1oqa n ALA 61 Cb 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 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 1.00 0.26 0.00 0.00 4.06 -1.93 -3.46 115.95 115.88 1oqa h TRP 62 Ca 0.49 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1oqa h TRP 62 Cb 2.44 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 30.59 1oqa h TRP 62 CO 1.40 1.31 0.00 2.41 -3.56 0.00 0.00 178.44 180.00 1oqa n THR 63 N -3.30 0.00 -2.70 1.49 -1.04 -1.26 -4.78 114.28 102.68 1oqa n THR 63 Ca -0.19 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.57 1oqa n THR 63 Cb 1.04 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.57 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 3.03 -0.97 -2.82 2.02 -1.26 -5.02 118.70 113.67 1oqa s GLU 64 Ca 0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 1oqa s GLU 64 Cb 0.00 -2.42 0.31 0.00 0.10 0.00 0.00 34.13 32.12 1oqa s GLU 64 CO 0.00 -0.46 1.50 -3.47 0.02 0.00 0.00 175.26 172.85 1oqa n ASP 65 N -2.31 6.36 0.21 -0.19 -0.08 -1.26 -4.80 116.55 114.48 1oqa n ASP 65 Ca 0.03 -3.55 0.10 0.00 -1.51 0.00 0.00 54.79 49.86 1oqa n ASP 65 Cb 0.57 -1.11 0.65 0.00 2.34 0.00 0.00 41.12 43.57 1oqa n ASP 65 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 1oqa h ASN 66 N 4.64 0.00 0.00 1.67 -0.73 -1.95 -3.46 115.58 115.75 1oqa h ASN 66 Ca 0.32 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.49 1oqa h ASN 66 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.09 1oqa h ASN 66 CO 1.19 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 178.86 1oqa n GLY 67 N -1.56 1.06 1.23 1.57 0.00 -1.26 -5.04 105.19 101.19 1oqa n GLY 67 Ca -0.01 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.69 -1.52 1.61 7.35 -1.26 -4.55 117.46 119.78 1oqa n PHE 68 Ca 0.00 -0.35 -0.28 0.00 -0.76 0.00 0.00 57.45 56.05 1oqa n PHE 68 Cb 0.00 -0.00 -0.04 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 1.54 1.75 -2.04 -5.13 -0.00 -1.26 -3.94 115.22 106.13 1oqa n HIS 69 Ca 0.21 -1.98 -0.06 0.00 0.46 0.00 0.00 57.72 56.35 1oqa n HIS 69 Cb 0.61 -1.35 -0.06 0.00 -0.12 0.00 0.00 29.99 29.07 1oqa n HIS 69 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1oqa n ALA 70 N 0.71 3.56 -0.27 1.57 0.00 -1.26 -4.96 120.51 119.86 1oqa n ALA 70 Ca 0.49 -0.81 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 1oqa n ALA 70 Cb 0.52 -0.35 0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 5.18 1.25 0.00 0.00 1.08 -1.93 -2.53 117.51 120.57 1oqa h ILE 71 Ca -0.51 -0.77 -0.11 0.00 -0.39 0.00 0.00 64.86 63.08 1oqa h ILE 71 Cb 1.43 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1oqa h ILE 71 CO -0.24 0.32 -0.52 1.23 -0.69 0.00 0.00 178.15 178.25 1oqa h GLY 72 N 1.15 0.00 2.00 5.37 0.00 -1.92 -2.36 103.07 107.32 1oqa h GLY 72 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.53 1oqa h GLY 72 CO -0.03 0.00 -0.32 -1.61 0.00 0.00 0.00 176.54 174.58 1oqa h GLN 73 N 0.00 0.00 0.01 4.80 4.15 -1.83 -3.06 115.11 119.17 1oqa h GLN 73 Ca -0.01 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.09 1oqa h GLN 73 Cb 1.31 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.94 1oqa h GLN 73 CO 0.07 0.32 -1.98 -1.33 -1.93 0.00 0.00 178.83 173.98 1oqa n MET 74 N -3.85 0.66 -4.17 1.69 2.81 -1.07 -4.95 117.12 108.24 1oqa n MET 74 Ca -0.01 0.19 -0.16 0.00 -1.81 0.00 0.00 57.70 55.91 1oqa n MET 74 Cb 0.40 -1.69 -0.13 0.00 -0.71 0.00 0.00 33.22 31.09 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 2.07 2.25 -4.12 0.00 4.71 -1.26 -4.05 120.64 120.24 1oqa n GLU 76 Ca -0.18 -3.10 -0.23 0.00 -0.01 0.00 0.00 57.16 53.64 1oqa n GLU 76 Cb 0.56 -2.13 -0.07 0.00 -1.01 0.00 0.00 31.44 28.79 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1oqa s ALA 77 N -3.36 3.49 -0.51 0.62 0.00 -1.26 -5.08 121.76 115.66 1oqa s ALA 77 Ca 0.56 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 1oqa s ALA 77 Cb 0.47 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1oqa s ALA 77 CO 0.07 -0.01 1.21 -1.25 0.00 0.00 0.00 175.76 175.79 1oqa s PRO 78 N -3.85 3.61 -0.15 0.00 0.04 -1.26 -4.79 135.00 128.60 1oqa s PRO 78 Ca 0.38 0.50 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 1oqa s PRO 78 Cb -0.01 -3.97 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1oqa s PRO 78 CO 0.22 -1.55 0.52 0.14 0.04 0.00 0.00 177.00 176.38 1oqa s VAL 79 N 4.87 5.13 -0.00 -0.36 -7.23 -1.25 -0.24 120.40 121.32 1oqa s VAL 79 Ca 0.48 1.01 0.01 0.00 -1.81 0.00 0.00 61.98 61.68 1oqa s VAL 79 Cb -0.08 -3.85 -0.00 0.00 0.56 0.00 0.00 36.38 33.00 1oqa s VAL 79 CO 0.30 0.25 -0.04 0.68 -0.31 0.00 0.00 175.10 175.98 1oqa s VAL 80 N 1.10 0.30 0.99 1.32 -7.23 0.33 -1.43 120.40 115.77 1oqa s VAL 80 Ca 0.26 -0.15 -0.14 0.00 -1.81 0.00 0.00 61.98 60.14 1oqa s VAL 80 Cb -0.15 -0.26 0.05 0.00 0.56 0.00 0.00 36.38 36.57 1oqa s VAL 80 CO 0.11 0.09 0.29 0.35 -0.31 0.00 0.00 175.10 175.63 1oqa n THR 81 N 3.04 0.00 0.28 5.32 -2.24 -0.12 -1.71 114.28 118.86 1oqa n THR 81 Ca -0.13 -0.22 0.17 0.00 -2.27 0.00 0.00 64.05 61.60 1oqa n THR 81 Cb 0.58 -0.60 0.85 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 -1.65 0.00 -0.88 -0.78 0.11 -1.92 -2.10 114.38 107.16 1oqa h ARG 82 Ca -0.45 0.00 0.23 0.00 0.10 0.00 0.00 59.98 59.86 1oqa h ARG 82 Cb 1.30 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.24 1oqa h ARG 82 CO 0.35 0.00 0.29 0.93 0.10 0.00 0.00 179.97 181.63 1oqa h GLU 83 N 0.00 0.25 0.46 0.08 3.07 -1.94 0.29 114.58 116.79 1oqa h GLU 83 Ca 0.04 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1oqa h GLU 83 Cb 0.64 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1oqa h GLU 83 CO -0.00 0.17 -0.39 2.35 -1.40 0.00 0.00 179.01 179.74 1oqa h TRP 84 N 0.26 -1.05 -0.74 4.33 7.01 -1.69 0.86 115.95 124.95 1oqa h TRP 84 Ca 0.55 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.66 1oqa h TRP 84 Cb 1.11 0.40 -0.07 0.00 -2.10 0.00 0.00 29.16 28.49 1oqa h TRP 84 CO -0.22 -0.55 0.37 0.28 -2.79 0.00 0.00 178.44 175.53 1oqa h VAL 85 N -0.84 0.83 0.35 2.65 2.07 -1.12 0.38 116.25 120.57 1oqa h VAL 85 Ca -0.04 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1oqa h VAL 85 Cb 0.73 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1oqa h VAL 85 CO -0.02 0.11 -0.17 0.25 0.02 0.00 0.00 177.57 177.76 1oqa h LEU 86 N 0.61 -0.40 -1.86 2.57 7.12 -0.17 0.50 115.31 123.68 1oqa h LEU 86 Ca 0.37 -0.15 0.10 0.00 0.13 0.00 0.00 57.88 58.33 1oqa h LEU 86 Cb 0.40 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 1oqa h LEU 86 CO -0.28 0.03 0.32 -0.78 -0.13 0.00 0.00 178.44 177.59 1oqa h ASP 87 N -0.93 0.14 0.00 1.25 3.58 0.96 0.88 116.42 122.30 1oqa h ASP 87 Ca -0.05 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1oqa h ASP 87 Cb 0.53 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1oqa h ASP 87 CO 0.08 0.08 -0.01 0.28 -2.88 0.00 0.00 179.24 176.79 1oqa h SER 88 N 0.15 0.01 0.72 2.28 0.02 -0.21 -3.02 113.55 113.49 1oqa h SER 88 Ca 0.21 -0.85 -0.09 0.00 -0.84 0.00 0.00 61.79 60.22 1oqa h SER 88 Cb 0.65 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1oqa h SER 88 CO -0.03 0.86 -0.41 0.58 -1.14 0.00 0.00 176.83 176.69 1oqa h VAL 89 N -0.85 1.02 0.53 2.27 2.07 -0.37 1.06 116.25 121.99 1oqa h VAL 89 Ca -0.00 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 1oqa h VAL 89 Cb 0.86 1.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1oqa h VAL 89 CO 0.00 0.40 -0.25 0.00 0.02 0.00 0.00 177.57 177.74 1oqa h ALA 90 N 1.59 -0.71 0.00 1.67 0.00 0.69 -3.28 119.26 119.22 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 0.88 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1oqa h ALA 90 CO 0.05 -0.72 -0.57 -0.11 0.00 0.00 0.00 179.25 177.90 1oqa n LEU 91 N -5.28 0.57 -2.47 0.00 7.94 -1.14 -5.01 117.00 111.61 1oqa n LEU 91 Ca -0.10 0.10 -0.04 0.00 -1.11 0.00 0.00 56.01 54.85 1oqa n LEU 91 Cb 0.32 -0.22 0.01 0.00 0.53 0.00 0.00 43.42 44.05 1oqa n LEU 91 CO 0.28 0.05 0.08 -1.22 -1.11 0.00 0.00 177.39 175.47 1oqa n TYR 92 N -1.76 -2.36 -3.65 1.96 4.01 0.36 -5.07 117.16 110.65 1oqa n TYR 92 Ca 0.04 0.94 -0.01 0.00 -0.16 0.00 0.00 57.90 58.72 1oqa n TYR 92 Cb 0.38 -3.32 -0.07 0.00 -0.31 0.00 0.00 39.34 36.03 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 -2.31 0.08 -0.81 -0.72 0.74 -0.48 -4.93 119.66 111.22 1oqa s GLN 93 Ca 0.14 0.12 -0.26 0.00 0.05 0.00 0.00 55.36 55.41 1oqa s GLN 93 Cb -0.04 0.03 -0.15 0.00 1.10 0.00 0.00 33.01 33.95 1oqa s GLN 93 CO 0.53 -0.01 2.39 0.00 -0.55 0.00 0.00 175.29 177.65 1oqa s GLN 95 N 8.87 2.73 0.69 0.00 -1.52 -1.26 -5.00 119.66 124.16 1oqa s GLN 95 Ca 0.93 1.09 -0.16 0.00 -1.95 0.00 0.00 55.36 55.27 1oqa s GLN 95 Cb -0.14 -1.96 0.01 0.00 -0.22 0.00 0.00 33.01 30.71 1oqa s GLN 95 CO 0.10 -1.27 1.20 -1.83 -0.25 0.00 0.00 175.29 173.24 1oqa s GLU 96 N -4.82 2.42 -0.20 2.91 -1.05 -1.26 -4.97 118.70 111.73 1oqa s GLU 96 Ca 0.60 1.76 0.11 0.00 -0.15 0.00 0.00 54.97 57.29 1oqa s GLU 96 Cb -0.16 -1.87 -0.20 0.00 -0.44 0.00 0.00 34.13 31.47 1oqa s GLU 96 CO 0.52 -1.62 -0.03 1.28 0.95 0.00 0.00 175.26 176.37 1oqa n LEU 97 N -2.38 1.01 0.30 1.83 4.32 -1.26 -4.37 117.00 116.45 1oqa n LEU 97 Ca 0.13 -0.04 0.19 0.00 -0.02 0.00 0.00 56.01 56.27 1oqa n LEU 97 Cb 0.50 0.02 0.99 0.00 -1.62 0.00 0.00 43.42 43.31 1oqa n LEU 97 CO 0.47 0.60 1.16 -0.78 -1.22 0.00 0.00 177.39 177.61 1oqa h ASP 98 N 0.00 0.00 1.90 -1.43 3.58 -1.94 0.52 116.42 119.05 1oqa h ASP 98 Ca -0.50 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1oqa h ASP 98 Cb 2.01 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 43.06 1oqa h ASP 98 CO -0.01 0.00 -0.10 0.74 -2.88 0.00 0.00 179.24 176.99 1oqa h THR 99 N 0.00 0.08 0.00 2.25 2.02 -1.99 -3.32 112.91 111.95 1oqa h THR 99 Ca 0.02 -1.12 -0.04 0.00 0.77 0.00 0.00 66.41 66.04 1oqa h THR 99 Cb 0.32 2.02 -0.09 0.00 -1.74 0.00 0.00 68.15 68.65 1oqa h THR 99 CO -0.00 0.05 -0.52 -1.22 0.37 0.00 0.00 175.52 174.20 1oqa n TYR 100 N -3.09 0.00 -3.26 3.16 4.01 0.35 -5.08 117.16 113.25 1oqa n TYR 100 Ca 0.04 -0.55 -0.35 0.00 -0.16 0.00 0.00 57.90 56.87 1oqa n TYR 100 Cb 0.55 -0.12 -0.06 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.09 4.33 0.41 7.72 0.20 0.15 -0.95 118.68 129.46 1oqa s LEU 101 Ca 0.20 1.20 0.00 0.00 0.69 0.00 0.00 54.13 56.22 1oqa s LEU 101 Cb 0.21 -3.40 0.00 0.00 -0.43 0.00 0.00 46.19 42.57 1oqa s LEU 101 CO -0.04 0.07 0.00 -0.38 -0.29 0.00 0.00 176.35 175.71 1oqa n ILE 102 N 0.74 -4.96 -0.51 6.68 -0.00 -0.51 -4.95 119.36 115.84 1oqa n ILE 102 Ca -0.04 2.21 -0.07 0.00 -0.00 0.00 0.00 62.75 64.84 1oqa n ILE 102 Cb 0.52 -3.03 0.06 0.00 -0.00 0.00 0.00 39.64 37.19 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 -0.37 -1.80 -2.76 0.38 -0.04 -1.26 -4.76 135.00 124.39 1oqa n PRO 103 Ca 0.00 -0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 63.01 1oqa n PRO 103 Cb 0.00 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1oqa n PRO 103 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1oqa n GLN 104 N -2.47 -3.05 -3.66 0.54 7.27 -1.26 -5.06 117.38 109.69 1oqa n GLN 104 Ca 0.04 2.52 -0.08 0.00 0.07 0.00 0.00 57.00 59.55 1oqa n GLN 104 Cb 0.15 -5.49 -0.09 0.00 2.41 0.00 0.00 30.24 27.21 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 -2.02 -0.61 -0.06 1.69 -5.25 -1.26 -5.13 121.20 108.55 1oqa s ILE 105 Ca 0.10 0.15 -0.30 0.00 -0.99 0.00 0.00 60.65 59.61 1oqa s ILE 105 Cb -0.03 -0.69 -0.05 0.00 2.95 0.00 0.00 42.46 44.65 1oqa s ILE 105 CO 0.78 0.06 1.47 -2.16 -1.79 0.00 0.00 174.94 173.30 1oqa s PRO 106 N 2.52 4.23 -0.01 0.37 0.04 -1.26 -4.82 135.00 136.07 1oqa s PRO 106 Ca -0.03 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.00 1oqa s PRO 106 Cb -0.12 -3.78 0.02 0.00 0.04 0.00 0.00 34.50 30.66 1oqa s PRO 106 CO -0.13 -0.72 0.95 0.72 0.04 0.00 0.00 177.00 177.86 1oqa n HIS 107 N 6.37 -0.09 -2.74 0.56 8.25 -1.26 -4.95 115.22 121.36 1oqa n HIS 107 Ca 0.15 -0.51 0.01 0.00 -0.26 0.00 0.00 57.72 57.11 1oqa n HIS 107 Cb 0.43 0.53 0.04 0.00 1.12 0.00 0.00 29.99 32.11 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 -0.07 1.37 -3.41 0.41 3.41 -1.26 -5.00 113.62 109.08 1oqa n SER 108 Ca -0.25 -2.02 -0.21 0.00 -0.26 0.00 0.00 58.87 56.13 1oqa n SER 108 Cb 0.67 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 1oqa n SER 108 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1oqa s HIS 109 N -2.67 -0.02 -2.24 7.33 5.04 -1.26 -5.32 115.29 116.15 1oqa s HIS 109 Ca 0.29 -0.91 0.30 0.00 -1.54 0.00 0.00 55.06 53.20 1oqa s HIS 109 Cb 0.34 -0.59 1.49 0.00 0.04 0.00 0.00 32.58 33.86 1oqa s HIS 109 CO -0.08 -0.91 1.99 0.98 -2.34 0.00 0.00 174.74 174.38