#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cqa h TRP 3 N 0.00 1.13 -0.57 7.33 2.91 -2.05 -2.14 115.95 122.56 1cqa h TRP 3 Ca 0.00 -0.15 -0.09 0.00 1.13 0.00 0.00 58.89 59.79 1cqa h TRP 3 Cb 0.00 -0.31 -0.02 0.00 -0.51 0.00 0.00 29.16 28.31 1cqa h TRP 3 CO 0.00 0.94 0.01 0.37 -1.03 0.00 0.00 178.44 178.73 1cqa h GLN 4 N 0.99 0.98 -0.25 2.65 5.75 -1.98 -1.06 115.11 122.19 1cqa h GLN 4 Ca 0.20 -0.29 -0.17 0.00 -0.15 0.00 0.00 58.65 58.24 1cqa h GLN 4 Cb 0.40 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.86 1cqa h GLN 4 CO 0.01 0.96 -0.52 1.79 -2.65 0.00 0.00 178.83 178.42 1cqa h THR 5 N 0.90 1.29 -0.37 2.39 1.35 -1.96 0.14 112.91 116.66 1cqa h THR 5 Ca 0.17 -1.71 0.02 0.00 -0.55 0.00 0.00 66.41 64.34 1cqa h THR 5 Cb 0.51 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.65 1cqa h THR 5 CO 0.03 0.55 0.19 0.22 -0.25 0.00 0.00 175.52 176.25 1cqa h TYR 6 N 0.53 0.35 0.48 4.73 3.20 -1.23 0.16 116.97 125.20 1cqa h TYR 6 Ca 0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1cqa h TYR 6 Cb 1.13 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1cqa h TYR 6 CO 0.08 0.19 -0.36 0.28 -1.64 0.00 0.00 178.16 176.71 1cqa h VAL 7 N 0.39 0.00 -0.28 1.81 2.07 -1.00 0.14 116.25 119.37 1cqa h VAL 7 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1cqa h VAL 7 Cb 0.05 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.74 1cqa h VAL 7 CO -0.10 0.00 -0.43 0.44 0.02 0.00 0.00 177.57 177.50 1cqa h ASP 8 N -0.81 -1.40 -0.38 0.57 3.32 -0.65 0.32 116.42 117.39 1cqa h ASP 8 Ca -0.06 0.20 0.11 0.00 0.02 0.00 0.00 57.03 57.30 1cqa h ASP 8 Cb 0.67 0.59 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1cqa h ASP 8 CO 0.02 -0.40 0.49 -0.08 -1.72 0.00 0.00 179.24 177.56 1cqa h GLU 9 N -0.40 0.00 -0.01 3.56 4.81 -0.46 -2.01 114.58 120.07 1cqa h GLU 9 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1cqa h GLU 9 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1cqa h GLU 9 CO -0.50 0.00 -0.10 0.72 -0.73 0.00 0.00 179.01 178.40 1cqa n HIS 10 N -3.51 0.00 0.24 0.92 8.25 0.84 -4.56 115.22 117.39 1cqa n HIS 10 Ca 0.07 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1cqa n HIS 10 Cb 0.65 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.68 1cqa n HIS 10 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1cqa n LEU 11 N -0.10 0.24 -4.89 2.41 4.77 0.36 -5.05 117.00 114.73 1cqa n LEU 11 Ca 0.03 -0.21 -0.29 0.00 -0.03 0.00 0.00 56.01 55.52 1cqa n LEU 11 Cb 0.16 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1cqa n LEU 11 CO 0.08 0.06 0.52 -0.04 -1.33 0.00 0.00 177.39 176.68 1cqa s MET 12 N -2.59 3.58 0.00 3.23 -1.94 -0.79 -4.69 119.30 116.10 1cqa s MET 12 Ca -0.01 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.35 1cqa s MET 12 Cb 0.09 -2.29 0.00 0.00 2.01 0.00 0.00 34.83 34.64 1cqa s MET 12 CO 0.52 -0.30 0.00 -0.11 -0.01 0.00 0.00 175.02 175.12 1cqa n LEU 22 N -2.33 0.00 0.11 -0.03 7.94 -1.26 -5.09 117.00 116.34 1cqa n LEU 22 Ca 0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.88 1cqa n LEU 22 Cb 0.55 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.62 1cqa n LEU 22 CO 0.54 0.00 0.46 0.00 -1.11 0.00 0.00 177.39 177.28 1cqa h ALA 23 N 0.00 0.87 -1.72 1.96 0.00 -0.80 -3.47 119.26 116.10 1cqa h ALA 23 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 54.45 1cqa h ALA 23 Cb 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 17.49 1cqa h ALA 23 CO 0.00 0.77 0.57 0.00 0.00 0.00 0.00 179.25 180.59 1cqa s ALA 24 N -3.64 -1.92 0.17 0.00 0.00 -1.12 -4.75 121.76 110.50 1cqa s ALA 24 Ca -0.03 1.45 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 1cqa s ALA 24 Cb 0.12 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1cqa s ALA 24 CO 0.79 -0.43 0.40 0.45 0.00 0.00 0.00 175.76 176.97 1cqa s SER 25 N -1.56 -0.12 -0.18 0.00 0.15 -1.26 -0.88 113.70 109.85 1cqa s SER 25 Ca 0.01 -0.63 -0.31 0.00 0.70 0.00 0.00 55.95 55.73 1cqa s SER 25 Cb -0.01 0.50 0.14 0.00 -1.71 0.00 0.00 66.02 64.95 1cqa s SER 25 CO -0.02 -0.96 1.13 0.00 1.20 0.00 0.00 173.24 174.59 1cqa s ALA 26 N -3.90 -2.00 -0.17 5.45 0.00 -0.52 -1.64 121.76 118.97 1cqa s ALA 26 Ca 0.12 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.70 1cqa s ALA 26 Cb 0.01 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1cqa s ALA 26 CO -0.03 -0.39 -0.17 0.42 0.00 0.00 0.00 175.76 175.59 1cqa s ILE 27 N -1.58 1.88 -0.01 0.00 1.01 0.13 -0.65 121.20 121.98 1cqa s ILE 27 Ca 0.04 -0.86 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1cqa s ILE 27 Cb -0.01 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 1cqa s ILE 27 CO -0.03 0.48 -0.12 0.68 0.00 0.00 0.00 174.94 175.95 1cqa s VAL 28 N 1.36 0.93 0.84 2.92 -7.23 -0.78 -0.94 120.40 117.50 1cqa s VAL 28 Ca 0.04 -0.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.62 1cqa s VAL 28 Cb -0.13 -0.78 0.10 0.00 0.56 0.00 0.00 36.38 36.13 1cqa s VAL 28 CO -0.12 0.27 1.12 -0.83 -0.31 0.00 0.00 175.10 175.23 1cqa s GLY 29 N -0.20 1.68 0.30 2.32 0.00 0.93 -0.74 107.32 111.61 1cqa s GLY 29 Ca 0.03 0.42 0.21 0.00 0.00 0.00 0.00 44.72 45.39 1cqa s GLY 29 CO -0.00 0.81 1.65 1.42 0.00 0.00 0.00 173.10 176.97 1cqa n HIS 30 N -3.88 0.72 1.42 1.90 8.25 -0.71 -0.43 115.22 122.49 1cqa n HIS 30 Ca 0.10 0.36 0.13 0.00 -0.26 0.00 0.00 57.72 58.06 1cqa n HIS 30 Cb 0.53 -1.08 0.48 0.00 1.12 0.00 0.00 29.99 31.04 1cqa n HIS 30 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1cqa n ASP 31 N -2.23 1.54 0.00 0.41 5.75 -1.26 -4.93 116.55 115.83 1cqa n ASP 31 Ca -0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1cqa n ASP 31 Cb 0.06 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1cqa n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cqa n GLY 32 N 1.16 1.13 3.80 6.12 0.00 0.42 -5.04 105.19 112.78 1cqa n GLY 32 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1cqa n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cqa s SER 33 N -3.04 6.70 -0.18 1.61 1.04 -1.26 -4.75 113.70 113.81 1cqa s SER 33 Ca 0.00 1.89 -0.20 0.00 0.48 0.00 0.00 55.95 58.12 1cqa s SER 33 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1cqa s SER 33 CO 0.00 -0.53 0.57 -0.69 0.98 0.00 0.00 173.24 173.56 1cqa s VAL 34 N -1.91 5.08 -0.19 5.02 1.01 -1.26 -0.05 120.40 128.10 1cqa s VAL 34 Ca 0.62 1.07 0.05 0.00 0.00 0.00 0.00 61.98 63.72 1cqa s VAL 34 Cb -0.16 -3.89 -0.22 0.00 0.00 0.00 0.00 36.38 32.11 1cqa s VAL 34 CO 0.20 0.17 0.09 0.79 0.00 0.00 0.00 175.10 176.36 1cqa n TRP 35 N 4.70 0.42 -3.64 5.22 7.02 -0.11 -4.95 117.44 126.11 1cqa n TRP 35 Ca -0.04 0.11 -0.10 0.00 -1.02 0.00 0.00 57.50 56.46 1cqa n TRP 35 Cb 0.50 -1.06 -0.07 0.00 -2.42 0.00 0.00 31.31 28.26 1cqa n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1cqa s ALA 36 N -2.53 -1.94 -0.10 6.99 0.00 -1.07 -4.99 121.76 118.12 1cqa s ALA 36 Ca -0.22 2.00 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 1cqa s ALA 36 Cb 0.08 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1cqa s ALA 36 CO 0.72 -0.29 0.32 1.14 0.00 0.00 0.00 175.76 177.66 1cqa s GLN 37 N 0.50 0.45 0.77 0.00 -2.07 -1.26 0.22 119.66 118.26 1cqa s GLN 37 Ca -0.00 0.31 -0.11 0.00 -1.82 0.00 0.00 55.36 53.74 1cqa s GLN 37 Cb -0.05 0.21 0.05 0.00 -1.09 0.00 0.00 33.01 32.14 1cqa s GLN 37 CO -0.06 -0.08 1.08 -1.54 -1.32 0.00 0.00 175.29 173.37 1cqa s SER 38 N -0.17 4.63 0.48 12.60 1.04 -0.65 -4.82 113.70 126.81 1cqa s SER 38 Ca -0.03 1.66 0.28 0.00 0.48 0.00 0.00 55.95 58.33 1cqa s SER 38 Cb -0.03 -2.41 1.35 0.00 0.10 0.00 0.00 66.02 65.03 1cqa s SER 38 CO 0.01 -1.93 1.82 0.28 0.98 0.00 0.00 173.24 174.40 1cqa h SER 39 N -1.06 0.18 -0.43 7.02 0.02 -1.91 -1.62 113.55 115.76 1cqa h SER 39 Ca -0.45 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1cqa h SER 39 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1cqa h SER 39 CO 0.54 0.04 0.00 -1.20 -1.14 0.00 0.00 176.83 175.07 1cqa n SER 40 N -4.38 3.25 -4.77 3.07 7.64 -1.26 -4.99 113.62 112.18 1cqa n SER 40 Ca 0.23 -1.94 -0.40 0.00 1.01 0.00 0.00 58.87 57.78 1cqa n SER 40 Cb 1.01 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.91 1cqa n SER 40 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1cqa s PHE 41 N -1.12 3.12 0.57 1.43 5.36 -0.61 -4.90 117.98 121.83 1cqa s PHE 41 Ca 0.33 1.50 -0.16 0.00 -0.96 0.00 0.00 56.93 57.64 1cqa s PHE 41 Cb 0.18 -3.54 -0.05 0.00 -0.34 0.00 0.00 43.02 39.28 1cqa s PHE 41 CO 0.25 -1.51 1.04 -1.25 -1.46 0.00 0.00 175.22 172.28 1cqa s PRO 42 N -1.90 3.53 0.10 10.12 0.04 -1.26 -4.96 135.00 140.67 1cqa s PRO 42 Ca 0.51 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 1cqa s PRO 42 Cb -0.36 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 1cqa s PRO 42 CO 0.47 -0.63 0.95 -1.14 0.04 0.00 0.00 177.00 176.68 1cqa s GLN 43 N -4.04 4.68 0.36 4.56 2.00 -1.26 -4.89 119.66 121.07 1cqa s GLN 43 Ca 0.62 1.43 0.04 0.00 -2.00 0.00 0.00 55.36 55.46 1cqa s GLN 43 Cb -0.14 -3.38 -0.06 0.00 0.80 0.00 0.00 33.01 30.23 1cqa s GLN 43 CO 0.34 0.21 0.05 -0.59 -0.50 0.00 0.00 175.29 174.80 1cqa s PHE 44 N 0.03 2.09 0.05 1.67 -0.12 -1.26 -4.11 117.98 116.32 1cqa s PHE 44 Ca 0.47 -0.91 0.01 0.00 -0.05 0.00 0.00 56.93 56.45 1cqa s PHE 44 Cb -0.23 -1.41 -0.04 0.00 -0.63 0.00 0.00 43.02 40.71 1cqa s PHE 44 CO 0.29 0.10 0.13 0.15 -0.05 0.00 0.00 175.22 175.85 1cqa s LYS 45 N -3.84 3.15 0.50 1.99 1.02 -1.26 -4.96 119.74 116.35 1cqa s LYS 45 Ca 0.34 -0.53 0.19 0.00 0.02 0.00 0.00 55.97 55.99 1cqa s LYS 45 Cb 0.08 -2.89 1.25 0.00 -0.52 0.00 0.00 37.83 35.75 1cqa s LYS 45 CO 0.16 0.61 2.03 -1.00 -0.92 0.00 0.00 175.35 176.23 1cqa h PRO 46 N 3.44 0.12 -0.19 -1.68 0.13 -2.00 0.10 132.00 131.93 1cqa h PRO 46 Ca -0.47 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1cqa h PRO 46 Cb 1.17 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1cqa h PRO 46 CO 0.69 0.08 -0.24 1.96 -0.23 0.00 0.00 178.00 180.26 1cqa h GLN 47 N 0.13 0.34 -0.63 0.86 7.50 -1.99 -0.12 115.11 121.20 1cqa h GLN 47 Ca 0.19 -0.12 -0.06 0.00 0.50 0.00 0.00 58.65 59.17 1cqa h GLN 47 Cb 0.59 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.06 1cqa h GLN 47 CO -0.02 0.56 0.16 0.93 -1.50 0.00 0.00 178.83 178.97 1cqa h GLU 48 N 0.31 0.98 -0.05 1.46 5.08 -1.12 -1.90 114.58 119.34 1cqa h GLU 48 Ca 0.05 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 58.01 1cqa h GLU 48 Cb 0.59 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1cqa h GLU 48 CO 0.04 0.86 -0.76 0.82 -1.00 0.00 0.00 179.01 178.97 1cqa h ILE 49 N 0.94 1.41 -0.44 3.13 1.08 -1.15 -2.88 117.51 119.60 1cqa h ILE 49 Ca 0.20 -2.26 -0.03 0.00 -0.39 0.00 0.00 64.86 62.39 1cqa h ILE 49 Cb 0.32 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 1cqa h ILE 49 CO -0.00 0.67 0.17 0.74 -0.69 0.00 0.00 178.15 179.03 1cqa h THR 50 N 0.21 1.21 -0.73 -0.27 2.02 -0.73 -1.28 112.91 113.34 1cqa h THR 50 Ca -0.03 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1cqa h THR 50 Cb 1.34 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 1cqa h THR 50 CO 0.13 0.24 0.46 1.23 0.37 0.00 0.00 175.52 177.94 1cqa h GLY 51 N 0.57 1.05 0.87 2.16 0.00 -1.33 -1.37 103.07 105.02 1cqa h GLY 51 Ca 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1cqa h GLY 51 CO -0.01 0.41 0.04 -2.22 0.00 0.00 0.00 176.54 174.76 1cqa h ILE 52 N 1.00 1.23 -0.80 2.60 2.04 -1.33 -2.25 117.51 120.00 1cqa h ILE 52 Ca 0.26 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.38 1cqa h ILE 52 Cb -0.06 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1cqa h ILE 52 CO -0.05 0.25 0.53 0.24 0.00 0.00 0.00 178.15 179.12 1cqa h MET 53 N 0.24 0.94 -0.02 2.37 2.86 -0.94 -1.31 114.93 119.06 1cqa h MET 53 Ca 0.08 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 1cqa h MET 53 Cb 0.34 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1cqa h MET 53 CO 0.01 0.62 -0.47 -0.22 1.06 0.00 0.00 176.91 177.90 1cqa h LYS 54 N 0.97 0.05 0.00 1.72 1.63 -1.01 -2.61 116.57 117.31 1cqa h LYS 54 Ca 0.32 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1cqa h LYS 54 Cb 0.08 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1cqa h LYS 54 CO -0.10 0.51 -0.02 0.22 -3.45 0.00 0.00 179.45 176.61 1cqa h ASP 55 N 0.04 0.00 1.89 4.20 3.58 -0.65 0.71 116.42 126.19 1cqa h ASP 55 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1cqa h ASP 55 Cb 0.86 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 1cqa h ASP 55 CO 0.06 0.02 -0.08 -0.26 -2.88 0.00 0.00 179.24 176.10 1cqa h PHE 56 N 0.00 0.00 0.03 0.28 0.04 -1.06 -3.22 116.94 113.01 1cqa h PHE 56 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 1cqa h PHE 56 Cb 0.69 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 1cqa h PHE 56 CO 0.00 0.08 -1.18 1.49 -0.60 0.00 0.00 178.31 178.10 1cqa h GLU 57 N 0.00 0.07 -3.09 1.51 4.81 -1.42 -3.35 114.58 113.12 1cqa h GLU 57 Ca -0.00 -0.12 -0.62 0.00 -0.13 0.00 0.00 59.36 58.48 1cqa h GLU 57 Cb 1.05 0.05 -0.41 0.00 0.63 0.00 0.00 28.75 30.07 1cqa h GLU 57 CO 0.01 1.06 -0.69 -1.21 -0.73 0.00 0.00 179.01 177.45 1cqa s GLU 58 N -2.38 1.72 0.23 1.92 2.02 0.20 -5.02 118.70 117.38 1cqa s GLU 58 Ca -0.25 -2.49 -0.30 0.00 0.02 0.00 0.00 54.97 51.95 1cqa s GLU 58 Cb 0.04 -2.81 -0.15 0.00 0.10 0.00 0.00 34.13 31.32 1cqa s GLU 58 CO 0.66 -1.19 1.07 -2.30 0.02 0.00 0.00 175.26 173.52 1cqa n PRO 59 N 3.03 1.20 -0.31 0.39 -0.02 -1.22 -1.89 135.00 136.19 1cqa n PRO 59 Ca 0.11 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1cqa n PRO 59 Cb 0.35 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1cqa n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cqa n GLY 60 N 1.68 0.68 0.36 -1.23 0.00 -1.26 -4.98 105.19 100.44 1cqa n GLY 60 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1cqa n GLY 60 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1cqa h HIS 61 N 0.00 1.10 0.00 1.61 6.17 -1.68 -3.13 115.15 119.21 1cqa h HIS 61 Ca 0.00 -0.00 -0.18 0.00 0.71 0.00 0.00 60.37 60.90 1cqa h HIS 61 Cb 0.00 -0.36 -0.03 0.00 2.52 0.00 0.00 27.41 29.54 1cqa h HIS 61 CO 0.00 0.73 -1.24 -0.07 0.71 0.00 0.00 177.93 178.06 1cqa h LEU 62 N 1.15 0.00 -0.89 0.26 3.38 -1.87 -3.40 115.31 113.93 1cqa h LEU 62 Ca 0.30 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.38 1cqa h LEU 62 Cb -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.58 1cqa h LEU 62 CO -0.06 0.69 -0.43 0.00 0.09 0.00 0.00 178.44 178.74 1cqa n ALA 63 N -2.39 -0.31 -0.20 1.53 0.00 -1.18 0.45 120.51 118.41 1cqa n ALA 63 Ca -0.07 0.83 0.10 0.00 0.00 0.00 0.00 53.44 54.30 1cqa n ALA 63 Cb 0.87 -0.28 0.40 0.00 0.00 0.00 0.00 19.45 20.44 1cqa n ALA 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1cqa h PRO 64 N 0.00 0.63 -0.01 0.00 0.13 -1.78 -2.84 132.00 128.13 1cqa h PRO 64 Ca 0.24 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1cqa h PRO 64 Cb 0.46 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1cqa h PRO 64 CO -0.86 0.41 -0.33 0.25 -0.23 0.00 0.00 178.00 177.24 1cqa n THR 65 N -4.50 0.00 0.00 1.56 -2.24 0.12 -5.10 114.28 104.11 1cqa n THR 65 Ca 0.13 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1cqa n THR 65 Cb 0.37 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 1cqa n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cqa n GLY 66 N 1.10 -1.41 3.70 3.38 0.00 0.17 -4.89 105.19 107.25 1cqa n GLY 66 Ca 0.06 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.15 1cqa n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cqa s LEU 67 N -3.18 4.19 -0.07 0.99 2.96 0.66 -4.78 118.68 119.45 1cqa s LEU 67 Ca 0.00 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1cqa s LEU 67 Cb 0.00 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1cqa s LEU 67 CO 0.00 0.11 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.05 1cqa s HIS 68 N 0.66 2.90 -0.23 5.38 3.76 -1.25 0.46 115.29 126.97 1cqa s HIS 68 Ca 0.11 -0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 54.94 1cqa s HIS 68 Cb -0.12 -1.71 0.12 0.00 1.11 0.00 0.00 32.58 31.97 1cqa s HIS 68 CO 0.02 0.28 0.40 -1.17 -0.85 0.00 0.00 174.74 173.42 1cqa s LEU 69 N -0.71 -0.67 -1.40 0.89 1.98 -0.53 -4.82 118.68 113.41 1cqa s LEU 69 Ca 0.11 0.56 -0.02 0.00 -2.89 0.00 0.00 54.13 51.89 1cqa s LEU 69 Cb -0.11 1.25 0.00 0.00 0.66 0.00 0.00 46.19 47.99 1cqa s LEU 69 CO 0.01 -0.27 0.23 0.61 -1.89 0.00 0.00 176.35 175.05 1cqa n GLY 70 N 5.38 -0.34 2.96 7.98 0.00 -1.26 -1.13 105.19 118.77 1cqa n GLY 70 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1cqa n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cqa n GLY 71 N -1.19 2.82 3.75 -0.02 0.00 -1.26 -4.95 105.19 104.33 1cqa n GLY 71 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1cqa n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cqa s ILE 72 N -2.01 3.97 -0.19 -0.61 -1.09 -0.29 -5.01 121.20 115.98 1cqa s ILE 72 Ca 0.00 1.85 -0.14 0.00 -2.23 0.00 0.00 60.65 60.13 1cqa s ILE 72 Cb 0.00 -4.18 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 1cqa s ILE 72 CO 0.00 0.39 0.30 -0.75 -1.23 0.00 0.00 174.94 173.65 1cqa s LYS 73 N -0.85 4.19 -0.06 2.79 2.20 -1.26 -1.45 119.74 125.31 1cqa s LYS 73 Ca 0.45 0.06 0.05 0.00 -0.36 0.00 0.00 55.97 56.17 1cqa s LYS 73 Cb -0.28 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.54 1cqa s LYS 73 CO 0.34 0.10 -0.22 0.71 -0.36 0.00 0.00 175.35 175.92 1cqa s TYR 74 N 0.91 2.50 -0.13 4.03 1.51 0.17 -4.80 117.35 121.55 1cqa s TYR 74 Ca 0.15 -0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 1cqa s TYR 74 Cb -0.14 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1cqa s TYR 74 CO 0.05 -0.12 0.97 1.41 -1.11 0.00 0.00 175.55 176.75 1cqa s MET 75 N -0.28 4.38 0.26 -0.62 1.75 0.67 -0.24 119.30 125.22 1cqa s MET 75 Ca 0.00 1.31 -0.30 0.00 -1.25 0.00 0.00 55.69 55.46 1cqa s MET 75 Cb -0.13 -3.56 -0.10 0.00 2.84 0.00 0.00 34.83 33.89 1cqa s MET 75 CO 0.03 -0.34 1.30 0.08 -0.65 0.00 0.00 175.02 175.43 1cqa s VAL 76 N 2.14 3.00 0.27 10.11 1.01 -1.26 -0.60 120.40 135.07 1cqa s VAL 76 Ca 0.46 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.37 1cqa s VAL 76 Cb -0.18 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1cqa s VAL 76 CO 0.16 0.18 0.10 2.30 0.00 0.00 0.00 175.10 177.83 1cqa n ILE 77 N 1.75 0.00 -1.56 2.22 -5.35 -0.28 -4.89 119.36 111.24 1cqa n ILE 77 Ca 0.03 -1.59 -0.50 0.00 -0.27 0.00 0.00 62.75 60.41 1cqa n ILE 77 Cb 0.42 0.58 -0.06 0.00 -1.74 0.00 0.00 39.64 38.84 1cqa n ILE 77 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cqa n GLN 78 N -0.61 1.45 0.00 6.28 1.13 -1.26 -4.36 117.38 120.00 1cqa n GLN 78 Ca -0.04 0.46 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1cqa n GLN 78 Cb 0.41 -2.53 0.00 0.00 0.11 0.00 0.00 30.24 28.23 1cqa n GLN 78 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cqa n GLY 79 N 5.60 3.10 3.00 1.08 0.00 -1.26 -4.66 105.19 112.05 1cqa n GLY 79 Ca 0.33 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1cqa n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cqa s GLU 80 N 2.95 1.84 -0.12 1.61 2.56 1.00 -4.99 118.70 123.56 1cqa s GLU 80 Ca 0.00 -1.27 -0.39 0.00 0.00 0.00 0.00 54.97 53.31 1cqa s GLU 80 Cb 0.00 -2.78 -0.16 0.00 2.00 0.00 0.00 34.13 33.19 1cqa s GLU 80 CO 0.00 -0.64 1.56 0.00 -0.56 0.00 0.00 175.26 175.62 1cqa n ALA 81 N 4.52 -0.57 -0.63 6.30 0.00 -1.26 -0.94 120.51 127.93 1cqa n ALA 81 Ca -0.10 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1cqa n ALA 81 Cb 0.43 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1cqa n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cqa n GLY 82 N 3.43 0.68 0.21 0.00 0.00 -1.26 -4.71 105.19 103.54 1cqa n GLY 82 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1cqa n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cqa n ALA 83 N 0.92 2.15 -3.00 4.61 0.00 -0.70 -4.87 120.51 119.62 1cqa n ALA 83 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1cqa n ALA 83 Cb 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 1cqa n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1cqa s VAL 84 N -1.67 -0.01 -0.00 0.00 0.11 -0.11 -0.93 120.40 117.78 1cqa s VAL 84 Ca 0.00 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 1cqa s VAL 84 Cb 0.00 -0.04 -0.03 0.00 -1.53 0.00 0.00 36.38 34.78 1cqa s VAL 84 CO 0.00 0.01 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.99 1cqa s ILE 85 N 0.14 2.88 0.03 7.04 1.01 -0.27 -0.00 121.20 132.04 1cqa s ILE 85 Ca -0.01 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1cqa s ILE 85 Cb -0.02 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1cqa s ILE 85 CO -0.00 0.46 -0.09 -0.13 0.00 0.00 0.00 174.94 175.18 1cqa s ARG 86 N -1.09 0.59 0.04 2.79 0.52 -1.26 -1.40 118.95 119.14 1cqa s ARG 86 Ca 0.13 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1cqa s ARG 86 Cb -0.11 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.86 1cqa s ARG 86 CO 0.03 0.11 -0.01 0.20 0.02 0.00 0.00 175.30 175.65 1cqa s GLY 87 N -1.14 0.33 0.04 -3.53 0.00 -0.51 -1.13 107.32 101.38 1cqa s GLY 87 Ca -0.04 -0.87 0.09 0.00 0.00 0.00 0.00 44.72 43.90 1cqa s GLY 87 CO 0.01 -0.97 -0.26 0.54 0.00 0.00 0.00 173.10 172.42 1cqa s LYS 88 N -2.75 1.84 -0.16 2.90 -0.14 0.23 -1.53 119.74 120.13 1cqa s LYS 88 Ca -0.04 -1.09 -0.04 0.00 -1.36 0.00 0.00 55.97 53.44 1cqa s LYS 88 Cb -0.00 -1.99 0.08 0.00 -1.68 0.00 0.00 37.83 34.23 1cqa s LYS 88 CO -0.06 0.52 0.28 0.21 -0.76 0.00 0.00 175.35 175.54 1cqa s LYS 89 N -1.18 0.19 0.93 1.68 2.20 -0.74 -0.24 119.74 122.59 1cqa s LYS 89 Ca 0.12 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 1cqa s LYS 89 Cb -0.10 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 1cqa s LYS 89 CO 0.02 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1cqa n GLY 90 N 5.35 2.56 0.19 5.54 0.00 -1.26 -0.83 105.19 116.74 1cqa n GLY 90 Ca -0.06 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.15 1cqa n GLY 90 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1cqa h SER 91 N 0.00 0.00 -0.11 1.61 0.87 -1.98 -3.47 113.55 110.47 1cqa h SER 91 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cqa h SER 91 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1cqa h SER 91 CO 0.00 0.33 0.00 0.61 -0.53 0.00 0.00 176.83 177.24 1cqa n GLY 92 N 0.63 4.18 0.00 5.77 0.00 -0.01 -4.28 105.19 111.48 1cqa n GLY 92 Ca 0.01 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1cqa n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cqa n GLY 93 N 5.00 0.91 3.12 -0.02 0.00 -1.02 -1.78 105.19 111.39 1cqa n GLY 93 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1cqa n GLY 93 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1cqa s ILE 94 N -2.13 0.10 -0.04 -0.61 2.07 -0.58 -1.35 121.20 118.66 1cqa s ILE 94 Ca 0.00 -0.79 0.02 0.00 -1.41 0.00 0.00 60.65 58.47 1cqa s ILE 94 Cb 0.00 -0.57 0.01 0.00 0.13 0.00 0.00 42.46 42.03 1cqa s ILE 94 CO 0.00 -0.43 -0.08 -0.89 -1.91 0.00 0.00 174.94 171.63 1cqa s THR 95 N -1.75 0.74 -0.08 4.00 2.01 -0.11 -1.42 115.64 119.03 1cqa s THR 95 Ca -0.12 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 1cqa s THR 95 Cb -0.06 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.78 1cqa s THR 95 CO -0.00 0.25 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.49 1cqa s ILE 96 N 0.49 0.78 -0.11 1.82 1.01 -0.49 -1.03 121.20 123.68 1cqa s ILE 96 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1cqa s ILE 96 Cb -0.12 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 1cqa s ILE 96 CO 0.01 0.31 -0.12 -0.75 0.00 0.00 0.00 174.94 174.39 1cqa s LYS 97 N 1.48 3.16 0.03 2.79 2.20 0.11 -1.11 119.74 128.40 1cqa s LYS 97 Ca -0.01 -0.65 -0.20 0.00 -0.36 0.00 0.00 55.97 54.75 1cqa s LYS 97 Cb -0.13 -2.60 -0.06 0.00 -1.51 0.00 0.00 37.83 33.52 1cqa s LYS 97 CO -0.04 0.35 0.59 0.21 -0.36 0.00 0.00 175.35 176.10 1cqa s LYS 98 N -0.00 4.28 0.43 4.03 2.20 -0.11 -0.96 119.74 129.60 1cqa s LYS 98 Ca -0.03 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 1cqa s LYS 98 Cb -0.14 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1cqa s LYS 98 CO 0.04 0.47 0.03 0.25 -0.36 0.00 0.00 175.35 175.78 1cqa n THR 99 N 2.33 0.00 -0.23 3.43 -2.24 0.22 -4.94 114.28 112.84 1cqa n THR 99 Ca -0.08 -2.11 0.03 0.00 -2.27 0.00 0.00 64.05 59.62 1cqa n THR 99 Cb 0.51 0.49 0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1cqa n THR 99 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1cqa h GLY 100 N 1.15 0.96 0.00 3.38 0.00 -1.57 -3.31 103.07 103.67 1cqa h GLY 100 Ca -0.35 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1cqa h GLY 100 CO 0.58 -0.13 0.00 -0.18 0.00 0.00 0.00 176.54 176.81 1cqa n GLN 101 N -5.09 5.35 -2.69 4.80 -0.06 -1.24 -5.02 117.38 113.44 1cqa n GLN 101 Ca 0.12 -0.02 -0.07 0.00 -2.00 0.00 0.00 57.00 55.03 1cqa n GLN 101 Cb 0.39 -0.43 -0.02 0.00 -4.06 0.00 0.00 30.24 26.12 1cqa n GLN 101 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cqa n ALA 102 N -0.77 0.16 -3.69 1.69 0.00 -1.25 -1.73 120.51 114.93 1cqa n ALA 102 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 52.62 1cqa n ALA 102 Cb 0.00 0.40 -0.17 0.00 0.00 0.00 0.00 19.45 19.68 1cqa n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1cqa s LEU 103 N 0.00 1.18 -0.24 0.00 1.02 0.08 -0.61 118.68 120.11 1cqa s LEU 103 Ca 0.06 -0.18 -0.10 0.00 0.02 0.00 0.00 54.13 53.93 1cqa s LEU 103 Cb 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 1cqa s LEU 103 CO 0.04 -0.09 0.14 -0.69 0.02 0.00 0.00 176.35 175.78 1cqa s VAL 104 N 1.27 5.18 -0.08 -1.59 1.01 -0.14 -1.86 120.40 124.19 1cqa s VAL 104 Ca -0.05 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1cqa s VAL 104 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1cqa s VAL 104 CO -0.02 0.35 -0.07 -0.36 0.00 0.00 0.00 175.10 174.99 1cqa s PHE 105 N 1.12 2.92 -0.06 5.22 0.40 0.17 -0.71 117.98 127.04 1cqa s PHE 105 Ca 0.07 -0.06 -0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1cqa s PHE 105 Cb -0.14 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.69 1cqa s PHE 105 CO 0.05 0.26 0.10 0.20 0.70 0.00 0.00 175.22 176.52 1cqa s GLY 106 N -0.63 0.16 -0.16 4.36 0.00 -0.19 -1.45 107.32 109.41 1cqa s GLY 106 Ca 0.09 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.09 1cqa s GLY 106 CO 0.02 1.51 -0.11 -0.42 0.00 0.00 0.00 173.10 174.10 1cqa s ILE 107 N 2.21 3.09 0.37 0.90 1.01 -0.06 -0.94 121.20 127.79 1cqa s ILE 107 Ca 0.04 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1cqa s ILE 107 Cb -0.12 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.95 1cqa s ILE 107 CO -0.04 0.49 -0.00 -0.72 0.00 0.00 0.00 174.94 174.67 1cqa s TYR 108 N 0.77 2.50 0.13 3.97 1.13 -0.46 -0.05 117.35 125.34 1cqa s TYR 108 Ca -0.04 -0.55 -0.06 0.00 -1.41 0.00 0.00 57.07 55.01 1cqa s TYR 108 Cb -0.15 -1.60 -0.02 0.00 -1.10 0.00 0.00 41.96 39.09 1cqa s TYR 108 CO 0.01 0.47 0.17 -2.00 -2.51 0.00 0.00 175.55 171.70 1cqa s GLU 109 N -3.70 0.99 0.35 -3.49 2.56 -1.26 -2.43 118.70 111.71 1cqa s GLU 109 Ca 0.35 -1.22 -0.28 0.00 0.00 0.00 0.00 54.97 53.81 1cqa s GLU 109 Cb 0.04 0.32 -0.11 0.00 2.00 0.00 0.00 34.13 36.38 1cqa s GLU 109 CO 0.18 -0.32 1.39 -2.00 -0.56 0.00 0.00 175.26 173.96 1cqa s GLU 110 N -3.97 4.24 -0.32 4.30 2.56 -1.26 0.15 118.70 124.41 1cqa s GLU 110 Ca 0.16 2.38 0.07 0.00 0.00 0.00 0.00 54.97 57.59 1cqa s GLU 110 Cb 0.05 -3.03 0.64 0.00 2.00 0.00 0.00 34.13 33.80 1cqa s GLU 110 CO -0.02 -0.35 1.72 -0.35 -0.56 0.00 0.00 175.26 175.70 1cqa n PRO 111 N 0.70 3.08 -2.24 4.30 -0.04 -1.26 -5.07 135.00 134.47 1cqa n PRO 111 Ca 0.01 -2.70 -0.38 0.00 -0.04 0.00 0.00 63.50 60.39 1cqa n PRO 111 Cb 0.41 -2.10 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1cqa n PRO 111 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1cqa s VAL 112 N -2.75 3.05 0.17 0.52 1.01 0.40 -5.02 120.40 117.78 1cqa s VAL 112 Ca 0.49 0.86 -0.00 0.00 0.00 0.00 0.00 61.98 63.33 1cqa s VAL 112 Cb 0.40 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 1cqa s VAL 112 CO 0.11 0.06 0.34 0.42 0.00 0.00 0.00 175.10 176.03 1cqa s THR 113 N -1.43 5.25 0.32 3.92 -4.23 -1.26 -4.54 115.64 113.68 1cqa s THR 113 Ca 0.59 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.74 1cqa s THR 113 Cb -0.31 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.11 1cqa s THR 113 CO 0.39 -0.10 1.87 1.55 -0.54 0.00 0.00 174.62 177.80 1cqa h PRO 114 N 2.24 0.84 -0.33 3.99 0.13 -1.97 0.22 132.00 137.13 1cqa h PRO 114 Ca -0.48 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.54 1cqa h PRO 114 Cb 1.19 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1cqa h PRO 114 CO 0.70 0.56 -0.08 0.78 -0.23 0.00 0.00 178.00 179.73 1cqa h GLY 115 N 0.87 0.58 1.00 1.56 0.00 -1.98 0.30 103.07 105.39 1cqa h GLY 115 Ca 0.44 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 1cqa h GLY 115 CO -0.20 0.36 -0.43 -1.61 0.00 0.00 0.00 176.54 174.65 1cqa h GLN 116 N 0.50 0.70 -0.17 4.80 4.15 -1.01 -1.63 115.11 122.45 1cqa h GLN 116 Ca 0.10 -0.44 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 1cqa h GLN 116 Cb 0.44 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1cqa h GLN 116 CO 0.02 1.07 0.08 0.00 -1.93 0.00 0.00 178.83 178.07 1cqa h ASN 118 N 0.14 -0.18 -0.64 0.00 2.35 -0.37 -1.07 115.58 115.80 1cqa h ASN 118 Ca 0.06 0.09 0.14 0.00 -0.55 0.00 0.00 56.30 56.03 1cqa h ASN 118 Cb 0.14 0.16 -0.11 0.00 0.05 0.00 0.00 38.32 38.56 1cqa h ASN 118 CO -0.01 -0.05 -0.05 -0.03 -1.65 0.00 0.00 177.43 175.64 1cqa h MET 119 N 0.08 0.07 -0.34 0.81 1.85 -0.98 -0.12 114.93 116.31 1cqa h MET 119 Ca 0.18 -0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.15 1cqa h MET 119 Cb 0.25 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 1cqa h MET 119 CO -0.31 0.05 -0.24 0.28 -0.40 0.00 0.00 176.91 176.29 1cqa h VAL 120 N 0.08 1.29 -0.52 -5.77 2.07 -1.16 -1.33 116.25 110.91 1cqa h VAL 120 Ca 0.33 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 1cqa h VAL 120 Cb 0.54 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1cqa h VAL 120 CO -0.59 0.45 -0.01 0.58 0.02 0.00 0.00 177.57 178.03 1cqa h VAL 121 N 0.54 1.25 -0.35 2.57 2.07 -0.70 -2.00 116.25 119.63 1cqa h VAL 121 Ca 0.07 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 1cqa h VAL 121 Cb 0.81 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1cqa h VAL 121 CO 0.07 0.38 -0.22 -0.08 0.02 0.00 0.00 177.57 177.74 1cqa h GLU 122 N 0.82 0.77 -0.75 1.57 4.22 -1.01 -0.62 114.58 119.58 1cqa h GLU 122 Ca 0.15 -0.36 0.04 0.00 0.08 0.00 0.00 59.36 59.27 1cqa h GLU 122 Cb 0.50 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 1cqa h GLU 122 CO 0.03 0.98 0.47 -0.09 -2.18 0.00 0.00 179.01 178.21 1cqa h ARG 123 N 0.56 0.88 -0.46 1.92 2.43 -1.03 0.15 114.38 118.83 1cqa h ARG 123 Ca 0.07 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1cqa h ARG 123 Cb 0.77 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1cqa h ARG 123 CO 0.06 0.58 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.82 1cqa h LEU 124 N 0.90 0.95 0.07 3.80 4.07 -1.29 -1.77 115.31 122.05 1cqa h LEU 124 Ca 0.31 -0.36 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1cqa h LEU 124 Cb 0.04 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.52 1cqa h LEU 124 CO -0.12 1.13 -0.04 1.23 -1.08 0.00 0.00 178.44 179.56 1cqa h GLY 125 N 0.91 -0.10 0.40 0.83 0.00 -0.38 -2.06 103.07 102.67 1cqa h GLY 125 Ca 0.11 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.56 1cqa h GLY 125 CO 0.06 -0.04 0.20 -1.80 0.00 0.00 0.00 176.54 174.96 1cqa h ASP 126 N -0.27 0.18 -0.23 0.19 3.58 -0.63 0.69 116.42 119.94 1cqa h ASP 126 Ca -0.01 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.57 1cqa h ASP 126 Cb 0.23 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.29 1cqa h ASP 126 CO 0.02 0.12 -0.14 0.22 -2.88 0.00 0.00 179.24 176.57 1cqa h TYR 127 N 0.37 -0.34 0.03 0.28 3.20 -1.02 -0.88 116.97 118.61 1cqa h TYR 127 Ca 0.29 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.18 1cqa h TYR 127 Cb 0.35 0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1cqa h TYR 127 CO -0.18 -0.21 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.05 1cqa h LEU 128 N -0.12 -0.03 -1.28 2.82 3.38 -0.73 -3.10 115.31 116.25 1cqa h LEU 128 Ca 0.13 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.82 1cqa h LEU 128 Cb 0.31 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1cqa h LEU 128 CO -0.30 0.41 0.58 0.40 0.09 0.00 0.00 178.44 179.62 1cqa h ILE 129 N -0.49 0.83 -0.86 1.22 2.04 -0.79 0.13 117.51 119.60 1cqa h ILE 129 Ca -0.00 -0.24 0.09 0.00 1.00 0.00 0.00 64.86 65.70 1cqa h ILE 129 Cb 0.45 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 1cqa h ILE 129 CO 0.01 0.13 0.56 -0.78 0.00 0.00 0.00 178.15 178.06 1cqa h ASP 130 N 0.70 0.78 -0.43 1.72 3.58 -1.13 -0.60 116.42 121.04 1cqa h ASP 130 Ca 0.45 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1cqa h ASP 130 Cb 0.73 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1cqa h ASP 130 CO -0.21 0.47 0.00 0.00 -2.88 0.00 0.00 179.24 176.62 1cqa n GLN 131 N -4.51 2.40 -0.83 0.28 6.02 0.33 -4.90 117.38 116.17 1cqa n GLN 131 Ca 0.14 -1.71 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 1cqa n GLN 131 Cb 0.28 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1cqa n GLN 131 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cqa n GLY 132 N 1.01 0.58 0.78 1.08 0.00 -0.23 -5.08 105.19 103.34 1cqa n GLY 132 Ca 0.16 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.27 1cqa n GLY 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36