#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 -6.10 -4.25 1.61 7.64 -1.26 -4.94 113.62 106.33 1oqa n SER 2 Ca 0.00 -0.24 -0.42 0.00 1.01 0.00 0.00 58.87 59.21 1oqa n SER 2 Cb 0.00 -4.94 -0.04 0.00 -1.01 0.00 0.00 64.21 58.22 1oqa n SER 2 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1oqa s GLN 3 N -5.58 3.51 -0.04 1.43 2.00 -1.26 -4.98 119.66 114.74 1oqa s GLN 3 Ca 0.25 -2.83 -0.27 0.00 -2.00 0.00 0.00 55.36 50.50 1oqa s GLN 3 Cb -0.11 -4.25 0.09 0.00 0.80 0.00 0.00 33.01 29.54 1oqa s GLN 3 CO 0.31 -1.25 1.23 -0.40 -0.50 0.00 0.00 175.29 174.68 1oqa n ASP 4 N 3.23 -1.09 -2.79 6.67 5.75 -1.26 -5.08 116.55 121.98 1oqa n ASP 4 Ca 0.17 -1.18 -0.10 0.00 -0.01 0.00 0.00 54.79 53.67 1oqa n ASP 4 Cb 0.41 1.68 0.06 0.00 -1.03 0.00 0.00 41.12 42.25 1oqa n ASP 4 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1oqa n ARG 5 N -0.89 1.10 -2.82 0.11 0.63 -1.26 -5.12 116.66 108.40 1oqa n ARG 5 Ca 0.05 -2.45 -0.40 0.00 -0.92 0.00 0.00 57.85 54.12 1oqa n ARG 5 Cb 0.55 -0.87 -0.05 0.00 0.45 0.00 0.00 32.46 32.53 1oqa n ARG 5 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1oqa s LYS 6 N -1.00 4.72 0.43 -0.14 -0.14 -1.26 -4.96 119.74 117.39 1oqa s LYS 6 Ca 0.26 1.37 0.23 0.00 -1.36 0.00 0.00 55.97 56.47 1oqa s LYS 6 Cb 0.38 -3.31 0.32 0.00 -1.68 0.00 0.00 37.83 33.54 1oqa s LYS 6 CO -0.05 0.43 1.59 -0.84 -0.76 0.00 0.00 175.35 175.72 1oqa h ILE 7 N 3.51 0.03 0.02 2.17 3.07 -1.46 -3.34 117.51 121.51 1oqa h ILE 7 Ca -0.45 -1.05 -0.33 0.00 1.55 0.00 0.00 64.86 64.59 1oqa h ILE 7 Cb 1.20 2.00 -0.05 0.00 -0.27 0.00 0.00 36.82 39.71 1oqa h ILE 7 CO 0.69 0.02 -1.82 0.49 -1.05 0.00 0.00 178.15 176.47 1oqa n PHE 8 N -3.09 0.68 -3.22 0.16 3.72 0.32 -4.36 117.46 111.67 1oqa n PHE 8 Ca 0.04 0.26 -0.14 0.00 -0.05 0.00 0.00 57.45 57.56 1oqa n PHE 8 Cb 0.54 -1.07 0.01 0.00 -0.94 0.00 0.00 39.48 38.02 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 -4.18 -0.82 -1.33 -1.08 3.00 -1.12 -4.35 116.66 106.77 1oqa n ARG 9 Ca -0.40 0.96 0.00 0.00 -0.00 0.00 0.00 57.85 58.41 1oqa n ARG 9 Cb 0.81 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.98 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 0.75 -0.05 3.15 5.14 0.00 -0.57 -4.79 105.19 108.82 1oqa n GLY 10 Ca -0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.88 2.43 -0.17 0.99 0.20 -1.18 -1.38 118.68 117.70 1oqa s LEU 11 Ca 0.00 -1.03 -0.04 0.00 0.69 0.00 0.00 54.13 53.75 1oqa s LEU 11 Cb 0.00 0.03 0.06 0.00 -0.43 0.00 0.00 46.19 45.85 1oqa s LEU 11 CO 0.00 -0.53 0.06 -1.61 -0.29 0.00 0.00 176.35 173.98 1oqa s GLU 12 N -3.88 0.31 -0.15 1.98 2.02 0.23 0.13 118.70 119.35 1oqa s GLU 12 Ca 0.12 -0.18 0.01 0.00 0.02 0.00 0.00 54.97 54.94 1oqa s GLU 12 Cb 0.06 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.49 1oqa s GLU 12 CO -0.05 -0.62 -0.18 0.42 0.02 0.00 0.00 175.26 174.85 1oqa s ILE 13 N 2.02 1.82 -0.15 -1.63 1.01 -0.73 0.12 121.20 123.67 1oqa s ILE 13 Ca 0.01 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1oqa s ILE 13 Cb -0.16 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1oqa s ILE 13 CO -0.08 0.50 -0.01 0.00 0.00 0.00 0.00 174.94 175.35 1oqa s TYR 16 N 2.53 3.00 0.00 0.00 5.04 -0.95 -4.90 117.35 122.07 1oqa s TYR 16 Ca 0.11 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 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 0.07 -1.20 0.00 0.41 -1.34 0.00 0.00 175.55 173.50 1oqa n GLY 17 N 5.23 3.34 0.11 8.97 0.00 -1.26 -4.62 105.19 116.96 1oqa n GLY 17 Ca -0.07 -1.62 0.09 0.00 0.00 0.00 0.00 46.02 44.41 1oqa n GLY 17 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1oqa n PRO 18 N -0.15 0.11 0.00 1.61 -0.02 -1.26 -4.86 135.00 130.43 1oqa n PRO 18 Ca 0.00 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1oqa n PRO 18 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1oqa n PRO 18 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1oqa n PHE 19 N -2.04 0.00 0.08 6.00 3.01 -1.26 -3.16 117.46 120.08 1oqa n PHE 19 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1oqa n PHE 19 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 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 0.25 0.00 4.37 5.66 -1.26 -1.69 114.28 121.60 1oqa n THR 20 Ca 0.00 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1oqa n THR 20 Cb 0.00 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 1oqa n THR 20 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1oqa n ASN 21 N -3.21 0.00 -2.70 1.09 4.13 -1.19 -4.81 115.26 108.57 1oqa n ASN 21 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 1oqa n ASN 21 Cb 0.05 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.40 1oqa n ASN 21 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1oqa n MET 22 N -0.98 1.19 -0.11 3.52 1.56 -1.26 -4.90 117.12 116.14 1oqa n MET 22 Ca 0.00 -1.92 0.03 0.00 -0.27 0.00 0.00 57.70 55.54 1oqa n MET 22 Cb 0.00 -0.17 0.09 0.00 2.15 0.00 0.00 33.22 35.29 1oqa n MET 22 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1oqa n PRO 23 N -0.52 1.51 -0.20 2.12 -0.04 -1.26 -4.20 135.00 132.41 1oqa n PRO 23 Ca -0.02 -0.73 0.09 0.00 -0.04 0.00 0.00 63.50 62.81 1oqa n PRO 23 Cb 0.84 -1.20 0.39 0.00 -0.04 0.00 0.00 33.50 33.49 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 1.16 0.94 0.00 0.52 1.35 -1.89 1.12 112.91 116.10 1oqa h THR 24 Ca 0.00 -0.23 -0.20 0.00 -0.55 0.00 0.00 66.41 65.43 1oqa h THR 24 Cb 0.31 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 66.90 1oqa h THR 24 CO 0.01 0.12 -1.42 0.44 -0.25 0.00 0.00 175.52 174.43 1oqa h ASP 25 N 0.68 0.00 0.79 5.36 3.32 -2.00 -3.09 116.42 121.48 1oqa h ASP 25 Ca 0.35 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.20 1oqa h ASP 25 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1oqa h ASP 25 CO -0.13 0.72 -0.94 -0.61 -1.72 0.00 0.00 179.24 176.55 1oqa h GLN 26 N 0.00 0.09 -0.04 3.56 4.15 -1.52 -2.76 115.11 118.58 1oqa h GLN 26 Ca -0.18 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.02 1oqa h GLN 26 Cb 1.71 0.04 0.01 0.00 0.21 0.00 0.00 27.48 29.44 1oqa h GLN 26 CO 0.06 0.96 -0.37 1.25 -1.93 0.00 0.00 178.83 178.80 1oqa h LEU 27 N 0.04 0.39 -1.89 -2.39 7.12 0.11 -2.95 115.31 115.74 1oqa h LEU 27 Ca -0.03 -0.71 -0.02 0.00 0.13 0.00 0.00 57.88 57.24 1oqa h LEU 27 Cb 1.63 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.64 1oqa h LEU 27 CO 0.13 1.04 -0.12 1.05 -0.13 0.00 0.00 178.44 180.41 1oqa h GLU 28 N -0.23 0.00 0.14 1.25 -0.00 -1.61 -2.31 114.58 111.82 1oqa h GLU 28 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.32 1oqa h GLU 28 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.81 1oqa h GLU 28 CO 0.07 0.12 -0.07 2.35 -0.00 0.00 0.00 179.01 181.49 1oqa h TRP 29 N 0.00 -0.17 -0.28 2.06 7.01 -1.46 0.54 115.95 123.65 1oqa h TRP 29 Ca -0.00 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.05 1oqa h TRP 29 Cb 0.24 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 1oqa h TRP 29 CO 0.00 0.16 -0.10 0.52 -2.79 0.00 0.00 178.44 176.23 1oqa h MET 30 N -0.52 -0.05 -0.44 2.65 2.86 -1.29 0.29 114.93 118.44 1oqa h MET 30 Ca -0.02 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1oqa h MET 30 Cb 0.41 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1oqa h MET 30 CO 0.03 -0.03 0.27 -0.39 1.06 0.00 0.00 176.91 177.85 1oqa h VAL 31 N -0.05 1.14 -0.65 -2.22 -1.51 -1.42 -1.48 116.25 110.05 1oqa h VAL 31 Ca 0.14 -0.30 0.09 0.00 -1.23 0.00 0.00 66.70 65.39 1oqa h VAL 31 Cb 0.26 0.55 -0.04 0.00 -2.13 0.00 0.00 31.29 29.93 1oqa h VAL 31 CO -0.31 0.14 0.43 1.56 -1.23 0.00 0.00 177.57 178.15 1oqa h GLN 32 N 0.58 0.53 0.00 5.19 4.20 0.02 0.27 115.11 125.91 1oqa h GLN 32 Ca 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1oqa h GLN 32 Cb -0.01 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1oqa h GLN 32 CO -0.03 0.35 -0.08 1.25 -0.67 0.00 0.00 178.83 179.65 1oqa h LEU 33 N 0.55 0.00 -0.84 1.46 5.85 0.59 -2.59 115.31 120.33 1oqa h LEU 33 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 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 -0.09 0.08 -0.24 0.00 -0.34 0.00 0.00 178.44 177.85 1oqa n GLY 35 N 1.33 1.23 3.99 0.00 0.00 -0.94 0.12 105.19 110.92 1oqa n GLY 35 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 4.52 -0.06 4.61 0.00 -0.59 -1.52 121.76 126.72 1oqa s ALA 36 Ca 0.00 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.16 1oqa s ALA 36 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1oqa s ALA 36 CO 0.00 -0.48 -0.16 0.45 0.00 0.00 0.00 175.76 175.57 1oqa s SER 37 N -4.42 2.09 -0.07 0.00 0.15 0.35 -3.99 113.70 107.81 1oqa s SER 37 Ca 0.55 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.55 1oqa s SER 37 Cb -0.07 -0.78 -0.04 0.00 -1.71 0.00 0.00 66.02 63.42 1oqa s SER 37 CO 0.33 0.10 1.38 0.54 1.20 0.00 0.00 173.24 176.80 1oqa s VAL 38 N 0.33 3.93 -0.17 4.45 0.11 -1.26 -1.77 120.40 126.03 1oqa s VAL 38 Ca -0.10 1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 60.01 1oqa s VAL 38 Cb -0.14 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.88 1oqa s VAL 38 CO 0.04 -0.06 0.40 -0.69 -3.33 0.00 0.00 175.10 171.46 1oqa s VAL 39 N 3.05 5.21 0.24 2.04 1.01 -1.17 -4.95 120.40 125.84 1oqa s VAL 39 Ca 0.62 0.75 -0.06 0.00 0.00 0.00 0.00 61.98 63.29 1oqa s VAL 39 Cb -0.28 -3.74 0.24 0.00 0.00 0.00 0.00 36.38 32.60 1oqa s VAL 39 CO 0.23 0.30 1.91 0.11 0.00 0.00 0.00 175.10 177.64 1oqa h LYS 40 N 7.05 1.20 0.00 2.72 1.57 -1.93 -3.42 116.57 123.75 1oqa h LYS 40 Ca -0.38 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.18 1oqa h LYS 40 Cb 1.17 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1oqa h LYS 40 CO 0.74 0.79 0.00 0.39 -0.57 0.00 0.00 179.45 180.80 1oqa n GLU 41 N -4.46 0.63 -0.02 3.15 -0.58 -1.26 -5.01 120.64 113.09 1oqa n GLU 41 Ca 0.12 -1.91 -0.15 0.00 -0.42 0.00 0.00 57.16 54.80 1oqa n GLU 41 Cb 0.06 2.00 -0.04 0.00 -0.57 0.00 0.00 31.44 32.89 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 0.86 0.00 -4.62 3.38 -1.97 -2.95 115.31 110.01 1oqa h LEU 42 Ca -0.22 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1oqa h LEU 42 Cb 0.89 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1oqa h LEU 42 CO 0.29 1.31 0.00 -0.24 0.09 0.00 0.00 178.44 179.89 1oqa n SER 43 N -3.94 0.00 -1.31 -0.43 2.88 -1.26 -2.61 113.62 106.95 1oqa n SER 43 Ca -0.06 0.36 0.05 0.00 -1.33 0.00 0.00 58.87 57.89 1oqa n SER 43 Cb 0.70 -0.44 0.25 0.00 -0.75 0.00 0.00 64.21 63.98 1oqa n SER 43 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1oqa n SER 44 N -1.44 3.81 -4.54 -3.46 7.64 -1.11 -4.83 113.62 109.69 1oqa n SER 44 Ca 0.06 -2.50 -0.41 0.00 1.01 0.00 0.00 58.87 57.03 1oqa n SER 44 Cb 0.19 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 1oqa n SER 44 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oqa s PHE 45 N -2.00 2.46 0.83 1.43 0.08 -1.07 -4.84 117.98 114.87 1oqa s PHE 45 Ca 0.35 -0.50 -0.11 0.00 0.12 0.00 0.00 56.93 56.79 1oqa s PHE 45 Cb 0.25 -4.61 0.13 0.00 -0.57 0.00 0.00 43.02 38.22 1oqa s PHE 45 CO 0.12 -1.95 1.17 0.95 -0.10 0.00 0.00 175.22 175.41 1oqa s THR 46 N 5.11 2.08 0.05 0.64 -4.23 -1.26 -5.10 115.64 112.94 1oqa s THR 46 Ca 0.38 -0.14 -0.02 0.00 -1.18 0.00 0.00 61.69 60.73 1oqa s THR 46 Cb -0.05 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1oqa s THR 46 CO 0.03 0.00 0.01 -1.48 -0.54 0.00 0.00 174.62 172.63 1oqa s LEU 47 N -5.56 2.28 0.00 4.79 2.34 -1.26 -4.84 118.68 116.42 1oqa s LEU 47 Ca 0.67 -0.85 0.00 0.00 0.06 0.00 0.00 54.13 54.01 1oqa s LEU 47 Cb -0.07 0.31 0.00 0.00 -0.56 0.00 0.00 46.19 45.87 1oqa s LEU 47 CO 0.49 -0.56 0.00 0.61 -1.06 0.00 0.00 176.35 175.83 1oqa n GLY 48 N 0.36 1.76 0.21 -3.48 0.00 -1.26 -5.02 105.19 97.76 1oqa n GLY 48 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -1.53 2.61 -2.24 -1.26 -4.81 114.28 107.05 1oqa n THR 49 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 1oqa n THR 49 Cb 0.00 -0.68 0.18 0.00 -2.10 0.00 0.00 70.33 67.73 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 3.32 4.72 3.88 3.38 0.00 -1.26 -5.05 105.19 114.19 1oqa n GLY 50 Ca 0.00 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.87 5.08 -0.08 1.61 1.01 -1.23 -4.01 120.40 119.90 1oqa s VAL 51 Ca 0.35 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1oqa s VAL 51 Cb 0.34 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 33.12 1oqa s VAL 51 CO -0.05 0.13 0.02 -1.00 0.00 0.00 0.00 175.10 174.20 1oqa s HIS 52 N -1.57 0.59 -0.03 5.22 3.76 -0.48 -4.81 115.29 117.97 1oqa s HIS 52 Ca 0.39 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 1oqa s HIS 52 Cb -0.13 -0.77 -0.02 0.00 1.11 0.00 0.00 32.58 32.77 1oqa s HIS 52 CO 0.21 -0.35 0.99 -1.25 -0.85 0.00 0.00 174.74 173.49 1oqa s PRO 53 N 2.00 4.52 0.05 8.40 0.04 -1.26 0.78 135.00 149.53 1oqa s PRO 53 Ca 0.04 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.43 1oqa s PRO 53 Cb -0.13 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1oqa s PRO 53 CO -0.05 -0.13 0.13 0.42 0.04 0.00 0.00 177.00 177.40 1oqa s ILE 54 N 1.33 0.14 0.01 0.56 -1.09 0.33 -4.36 121.20 118.13 1oqa s ILE 54 Ca 0.51 -1.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 1oqa s ILE 54 Cb -0.20 -1.08 -0.01 0.00 -1.58 0.00 0.00 42.46 39.59 1oqa s ILE 54 CO 0.25 -0.64 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.59 1oqa s VAL 55 N -3.07 0.26 0.18 2.92 1.01 0.11 -2.31 120.40 119.50 1oqa s VAL 55 Ca -0.01 -0.51 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1oqa s VAL 55 Cb 0.01 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.05 1oqa s VAL 55 CO -0.07 -0.17 -0.13 -0.69 0.00 0.00 0.00 175.10 174.05 1oqa s VAL 56 N -0.67 1.54 0.00 2.92 1.01 -0.38 -0.84 120.40 123.99 1oqa s VAL 56 Ca -0.05 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.81 1oqa s VAL 56 Cb -0.05 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1oqa s VAL 56 CO -0.00 -0.61 0.00 0.52 0.00 0.00 0.00 175.10 175.01 1oqa n VAL 57 N -0.22 0.00 -2.65 2.92 0.31 0.56 -2.23 118.33 117.01 1oqa n VAL 57 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.20 1oqa n VAL 57 Cb 0.60 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.60 1oqa n VAL 57 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1oqa n GLN 58 N 0.00 0.03 -1.46 5.55 0.00 -1.26 -3.13 117.38 117.11 1oqa n GLN 58 Ca 0.00 -0.55 -0.47 0.00 -0.00 0.00 0.00 57.00 55.97 1oqa n GLN 58 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 30.24 30.21 1oqa n GLN 58 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1oqa n PRO 59 N 1.73 0.85 0.00 3.69 -0.02 -1.26 -4.07 135.00 135.92 1oqa n PRO 59 Ca 0.03 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1oqa n PRO 59 Cb 0.70 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 10.87 0.00 -0.93 2.55 2.03 -1.26 -4.96 116.55 124.85 1oqa n ASP 60 Ca 0.45 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.80 1oqa n ASP 60 Cb 0.24 0.01 0.15 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.87 3.43 -0.05 -1.67 0.00 -0.68 -4.72 120.51 115.95 1oqa n ALA 61 Ca 0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 53.44 50.22 1oqa n ALA 61 Cb 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.86 1oqa n ALA 61 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1oqa n TRP 62 N -0.72 0.70 -1.43 0.00 -0.00 -1.26 -4.53 117.44 110.20 1oqa n TRP 62 Ca 0.17 0.23 0.06 0.00 -0.00 0.00 0.00 57.50 57.96 1oqa n TRP 62 Cb 0.81 -1.12 -0.03 0.00 -0.00 0.00 0.00 31.31 30.97 1oqa n TRP 62 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1oqa n THR 63 N -3.04 -2.07 -2.90 5.87 -1.04 -1.26 -4.79 114.28 105.05 1oqa n THR 63 Ca -0.25 1.20 -0.41 0.00 -2.04 0.00 0.00 64.05 62.54 1oqa n THR 63 Cb 1.08 -1.94 -0.04 0.00 -1.82 0.00 0.00 70.33 67.60 1oqa n THR 63 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1oqa s GLU 64 N -4.94 4.28 0.30 -2.82 2.12 -1.26 -4.77 118.70 111.62 1oqa s GLU 64 Ca 0.00 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.32 1oqa s GLU 64 Cb 0.00 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1oqa s GLU 64 CO 0.00 -0.34 0.00 -0.25 -0.54 0.00 0.00 175.26 174.13 1oqa n ASP 65 N 5.29 -2.46 -0.07 -1.70 8.00 -1.26 -4.97 116.55 119.38 1oqa n ASP 65 Ca 0.04 0.57 -0.09 0.00 0.71 0.00 0.00 54.79 56.03 1oqa n ASP 65 Cb 0.49 2.44 -0.15 0.00 -0.02 0.00 0.00 41.12 43.87 1oqa n ASP 65 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1oqa n ASN 66 N -3.15 0.34 0.00 -2.24 4.13 -1.26 -5.08 115.26 107.99 1oqa n ASN 66 Ca 0.00 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1oqa n ASN 66 Cb 0.00 0.61 0.00 0.00 -1.54 0.00 0.00 39.78 38.85 1oqa n ASN 66 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oqa n GLY 67 N 1.66 2.26 0.99 7.41 0.00 -1.26 -4.95 105.19 111.30 1oqa n GLY 67 Ca -0.26 -1.21 0.10 0.00 0.00 0.00 0.00 46.02 44.65 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 1.86 0.56 -1.69 1.61 7.35 -1.26 -4.50 117.46 121.39 1oqa n PHE 68 Ca 0.00 -0.28 -0.32 0.00 -0.76 0.00 0.00 57.45 56.09 1oqa n PHE 68 Cb 0.00 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.80 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 1.12 1.99 -2.04 -5.13 8.25 -1.26 -3.96 115.22 114.19 1oqa n HIS 69 Ca 0.19 -2.20 -0.02 0.00 -0.26 0.00 0.00 57.72 55.43 1oqa n HIS 69 Cb 0.50 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 30.15 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 0.90 0.02 0.28 -1.41 0.00 -1.26 -5.01 120.51 114.03 1oqa n ALA 70 Ca 0.52 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 53.57 1oqa n ALA 70 Cb 0.44 -0.42 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 1.55 0.00 0.00 0.00 1.08 -1.91 -1.88 117.51 116.35 1oqa h ILE 71 Ca -0.18 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1oqa h ILE 71 Cb 0.93 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1oqa h ILE 71 CO -0.08 0.00 -0.03 1.23 -0.69 0.00 0.00 178.15 178.57 1oqa h GLY 72 N -1.19 0.00 1.60 5.37 0.00 -1.89 -0.97 103.07 106.00 1oqa h GLY 72 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1oqa h GLY 72 CO 0.13 0.00 -0.32 1.46 0.00 0.00 0.00 176.54 177.81 1oqa h GLN 73 N 0.00 0.00 0.00 4.80 7.50 -1.94 -3.30 115.11 122.17 1oqa h GLN 73 Ca -0.00 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 1oqa h GLN 73 Cb 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.69 1oqa h GLN 73 CO 0.00 0.00 -1.81 -0.12 -1.50 0.00 0.00 178.83 175.40 1oqa n MET 74 N -2.39 0.65 -4.19 1.46 1.56 -0.42 -4.96 117.12 108.82 1oqa n MET 74 Ca 0.04 0.14 -0.14 0.00 -0.27 0.00 0.00 57.70 57.47 1oqa n MET 74 Cb 0.46 -1.70 -0.11 0.00 2.15 0.00 0.00 33.22 34.03 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 0.36 2.24 -4.36 0.00 0.28 -1.26 -4.58 120.64 113.33 1oqa n GLU 76 Ca -0.15 -3.03 -0.22 0.00 -0.16 0.00 0.00 57.16 53.61 1oqa n GLU 76 Cb 0.59 -2.17 -0.11 0.00 1.43 0.00 0.00 31.44 31.18 1oqa n GLU 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1oqa s ALA 77 N -3.31 2.15 0.61 -1.84 0.00 -1.26 -5.06 121.76 113.04 1oqa s ALA 77 Ca 0.57 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1oqa s ALA 77 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1oqa s ALA 77 CO 0.10 0.23 1.23 -1.25 0.00 0.00 0.00 175.76 176.07 1oqa s PRO 78 N -3.02 2.86 -0.11 0.00 0.04 -1.26 -4.75 135.00 128.77 1oqa s PRO 78 Ca 0.19 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.14 1oqa s PRO 78 Cb -0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1oqa s PRO 78 CO 0.08 -1.30 -0.22 0.08 0.04 0.00 0.00 177.00 175.68 1oqa s VAL 79 N -1.56 1.94 0.31 -0.36 1.01 -1.25 0.06 120.40 120.55 1oqa s VAL 79 Ca 0.79 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1oqa s VAL 79 Cb -0.32 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1oqa s VAL 79 CO 0.35 0.53 0.35 0.68 0.00 0.00 0.00 175.10 177.01 1oqa s VAL 80 N 0.53 0.00 0.62 2.92 -7.23 -0.02 -2.89 120.40 114.32 1oqa s VAL 80 Ca -0.15 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.24 1oqa s VAL 80 Cb -0.17 -2.54 0.08 0.00 0.56 0.00 0.00 36.38 34.30 1oqa s VAL 80 CO 0.05 0.00 0.86 0.42 -0.31 0.00 0.00 175.10 176.12 1oqa s THR 81 N -3.41 2.41 -0.80 5.32 -4.23 -0.42 0.21 115.64 114.72 1oqa s THR 81 Ca 0.35 -0.69 0.15 0.00 -1.18 0.00 0.00 61.69 60.33 1oqa s THR 81 Cb 0.02 -2.73 0.14 0.00 1.34 0.00 0.00 72.50 71.27 1oqa s THR 81 CO 0.21 0.00 1.48 -2.11 -0.54 0.00 0.00 174.62 173.66 1oqa n ARG 82 N -2.51 0.06 -0.35 3.99 -4.01 -1.18 -2.69 116.66 109.97 1oqa n ARG 82 Ca 0.12 0.37 0.03 0.00 -1.04 0.00 0.00 57.85 57.32 1oqa n ARG 82 Cb 0.60 -1.64 0.17 0.00 -3.04 0.00 0.00 32.46 28.56 1oqa n ARG 82 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1oqa h GLU 83 N 0.00 1.05 0.48 2.89 5.08 -1.93 0.13 114.58 122.28 1oqa h GLU 83 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1oqa h GLU 83 Cb 0.22 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1oqa h GLU 83 CO 0.00 0.70 -0.39 2.35 -1.00 0.00 0.00 179.01 180.67 1oqa h TRP 84 N 1.08 -1.04 -0.48 4.33 7.01 -1.86 0.89 115.95 125.89 1oqa h TRP 84 Ca 0.42 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.48 1oqa h TRP 84 Cb 0.21 0.39 -0.05 0.00 -2.10 0.00 0.00 29.16 27.61 1oqa h TRP 84 CO -0.01 -0.55 0.19 0.28 -2.79 0.00 0.00 178.44 175.55 1oqa h VAL 85 N -0.85 0.88 0.51 2.65 2.07 -1.62 0.61 116.25 120.49 1oqa h VAL 85 Ca -0.05 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1oqa h VAL 85 Cb 0.73 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1oqa h VAL 85 CO -0.01 0.07 -0.24 -0.07 0.02 0.00 0.00 177.57 177.34 1oqa h LEU 86 N 0.38 -0.58 -1.85 2.57 4.07 -0.48 0.58 115.31 120.01 1oqa h LEU 86 Ca 0.22 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.16 1oqa h LEU 86 Cb 0.20 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1oqa h LEU 86 CO -0.21 -0.25 0.20 -0.78 -1.08 0.00 0.00 178.44 176.32 1oqa h ASP 87 N -0.93 0.17 0.01 -0.43 3.58 0.96 0.85 116.42 120.64 1oqa h ASP 87 Ca -0.07 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 1oqa h ASP 87 Cb 0.61 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1oqa h ASP 87 CO 0.11 0.12 -0.13 0.28 -2.88 0.00 0.00 179.24 176.74 1oqa h SER 88 N 0.20 0.10 0.66 2.28 0.02 0.40 -3.04 113.55 114.17 1oqa h SER 88 Ca 0.13 -0.85 -0.10 0.00 -0.84 0.00 0.00 61.79 60.13 1oqa h SER 88 Cb 0.25 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1oqa h SER 88 CO -0.02 0.94 -0.47 0.58 -1.14 0.00 0.00 176.83 176.72 1oqa h VAL 89 N -0.73 1.17 0.66 2.27 2.07 0.59 1.04 116.25 123.32 1oqa h VAL 89 Ca -0.02 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 1oqa h VAL 89 Cb 0.97 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1oqa h VAL 89 CO 0.03 0.46 -0.32 0.00 0.02 0.00 0.00 177.57 177.76 1oqa h ALA 90 N 1.53 -0.89 0.00 1.67 0.00 0.64 -3.26 119.26 118.94 1oqa h ALA 90 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1oqa h ALA 90 Cb 0.93 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1oqa h ALA 90 CO 0.06 -0.86 -0.51 -0.11 0.00 0.00 0.00 179.25 177.83 1oqa n LEU 91 N -5.38 0.54 -2.43 0.00 7.94 -1.15 -5.01 117.00 111.50 1oqa n LEU 91 Ca -0.12 0.14 -0.04 0.00 -1.11 0.00 0.00 56.01 54.88 1oqa n LEU 91 Cb 0.37 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 44.08 1oqa n LEU 91 CO 0.30 0.04 -0.09 0.00 -1.11 0.00 0.00 177.39 176.53 1oqa n TYR 92 N -1.75 -2.62 -3.65 1.96 4.19 0.35 -5.07 117.16 110.58 1oqa n TYR 92 Ca 0.05 1.09 -0.01 0.00 3.31 0.00 0.00 57.90 62.34 1oqa n TYR 92 Cb 0.38 -3.34 -0.06 0.00 0.49 0.00 0.00 39.34 36.80 1oqa n TYR 92 CO 0.00 0.00 0.00 -1.14 0.91 0.00 0.00 176.86 176.63 1oqa s GLN 93 N -1.84 0.11 -1.04 2.98 0.74 -0.43 -4.97 119.66 115.22 1oqa s GLN 93 Ca 0.12 0.16 -0.25 0.00 0.05 0.00 0.00 55.36 55.45 1oqa s GLN 93 Cb -0.03 0.04 -0.17 0.00 1.10 0.00 0.00 33.01 33.94 1oqa s GLN 93 CO 0.55 -0.02 1.98 0.00 -0.55 0.00 0.00 175.29 177.26 1oqa s GLN 95 N 7.24 -0.62 0.23 0.00 1.11 -1.26 -4.98 119.66 121.38 1oqa s GLN 95 Ca 0.73 0.80 -0.25 0.00 0.01 0.00 0.00 55.36 56.65 1oqa s GLN 95 Cb -0.00 -1.59 -0.09 0.00 -1.01 0.00 0.00 33.01 30.32 1oqa s GLN 95 CO 0.17 -3.51 0.84 -1.83 0.01 0.00 0.00 175.29 170.97 1oqa s GLU 96 N -4.57 4.55 0.16 2.91 -1.05 -1.26 -4.97 118.70 114.47 1oqa s GLU 96 Ca 0.68 1.19 0.09 0.00 -0.15 0.00 0.00 54.97 56.78 1oqa s GLU 96 Cb -0.24 -3.05 -0.14 0.00 -0.44 0.00 0.00 34.13 30.27 1oqa s GLU 96 CO 0.63 0.44 1.32 -0.07 0.95 0.00 0.00 175.26 178.54 1oqa h LEU 97 N 3.77 0.00 -1.95 1.83 4.07 -1.95 -3.26 115.31 117.82 1oqa h LEU 97 Ca -0.47 0.00 0.17 0.00 0.08 0.00 0.00 57.88 57.66 1oqa h LEU 97 Cb 1.20 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.91 1oqa h LEU 97 CO 0.66 0.88 0.44 0.44 -1.08 0.00 0.00 178.44 179.78 1oqa h ASP 98 N 0.00 0.04 1.08 -0.43 3.32 -1.93 0.96 116.42 119.46 1oqa h ASP 98 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1oqa h ASP 98 Cb 1.67 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.21 1oqa h ASP 98 CO 0.11 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 178.01 1oqa n THR 99 N -4.37 0.60 -2.38 0.35 -2.24 -1.23 -3.53 114.28 101.48 1oqa n THR 99 Ca 0.12 -0.03 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 1oqa n THR 99 Cb 0.66 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 68.14 1oqa n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1oqa n TYR 100 N -2.04 0.00 -3.14 4.78 4.01 0.18 -5.05 117.16 115.91 1oqa n TYR 100 Ca 0.05 -0.41 -0.43 0.00 -0.16 0.00 0.00 57.90 56.94 1oqa n TYR 100 Cb 0.33 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.17 1oqa n TYR 100 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1oqa s LEU 101 N -0.06 4.81 -0.02 7.72 0.20 0.28 -1.31 118.68 130.30 1oqa s LEU 101 Ca 0.27 -0.76 -0.03 0.00 0.69 0.00 0.00 54.13 54.31 1oqa s LEU 101 Cb 0.31 -2.52 0.01 0.00 -0.43 0.00 0.00 46.19 43.56 1oqa s LEU 101 CO -0.13 -0.88 0.05 -0.38 -0.29 0.00 0.00 176.35 174.72 1oqa n ILE 102 N 5.69-13.28 0.00 6.68 5.41 -1.14 -4.98 119.36 117.74 1oqa n ILE 102 Ca -0.05 3.09 0.00 0.00 1.00 0.00 0.00 62.75 66.79 1oqa n ILE 102 Cb 0.46 -6.16 0.00 0.00 -0.71 0.00 0.00 39.64 33.23 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 1.84 0.00 -2.78 0.38 -0.04 -1.26 -4.64 135.00 128.49 1oqa n PRO 103 Ca -0.09 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.05 1oqa n PRO 103 Cb 0.13 -0.99 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 1oqa n PRO 103 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1oqa s GLN 104 N -1.13 4.01 -0.19 0.54 0.74 -1.26 -5.03 119.66 117.33 1oqa s GLN 104 Ca 0.00 0.83 -0.09 0.00 0.05 0.00 0.00 55.36 56.16 1oqa s GLN 104 Cb 0.00 -3.74 -0.04 0.00 1.10 0.00 0.00 33.01 30.33 1oqa s GLN 104 CO 0.00 -0.80 0.09 -1.50 -0.55 0.00 0.00 175.29 172.53 1oqa s ILE 105 N 3.32 5.07 0.69 -2.34 1.10 -1.26 -5.09 121.20 122.69 1oqa s ILE 105 Ca 0.39 0.07 -0.13 0.00 -0.51 0.00 0.00 60.65 60.47 1oqa s ILE 105 Cb -0.13 -3.30 0.01 0.00 0.15 0.00 0.00 42.46 39.19 1oqa s ILE 105 CO 0.14 0.45 1.09 -2.16 -2.11 0.00 0.00 174.94 172.34 1oqa s PRO 106 N 0.40 2.75 0.31 3.50 0.04 -1.26 -5.08 135.00 135.66 1oqa s PRO 106 Ca 0.05 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.36 1oqa s PRO 106 Cb -0.12 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1oqa s PRO 106 CO -0.01 -1.27 0.03 -1.58 0.04 0.00 0.00 177.00 174.21 1oqa s HIS 107 N -2.64 1.94 -0.15 0.56 2.46 -1.26 -5.07 115.29 111.14 1oqa s HIS 107 Ca 0.63 -0.89 0.19 0.00 0.47 0.00 0.00 55.06 55.46 1oqa s HIS 107 Cb -0.18 -1.23 0.45 0.00 -0.13 0.00 0.00 32.58 31.49 1oqa s HIS 107 CO 0.47 0.07 1.17 -1.13 -2.47 0.00 0.00 174.74 172.86 1oqa n SER 108 N -0.65 1.83 -4.91 9.88 3.41 -1.26 -5.08 113.62 116.84 1oqa n SER 108 Ca -0.03 -2.75 -0.28 0.00 -0.26 0.00 0.00 58.87 55.55 1oqa n SER 108 Cb 0.66 -0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.11 3.48 -2.15 7.33 5.04 -1.26 -5.40 115.29 120.22 1oqa s HIS 109 Ca 0.36 0.54 0.31 0.00 -1.54 0.00 0.00 55.06 54.72 1oqa s HIS 109 Cb 0.37 -2.02 1.65 0.00 0.04 0.00 0.00 32.58 32.62 1oqa s HIS 109 CO -0.09 0.21 2.08 0.66 -2.34 0.00 0.00 174.74 175.26