#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dqa n ALA 2 N 0.00 1.82 -1.76 4.37 0.00 -1.26 -5.00 120.51 118.67 2dqa n ALA 2 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 2dqa n ALA 2 Cb 0.00 -2.37 0.03 0.00 0.00 0.00 0.00 19.45 17.11 2dqa n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dqa s PRO 3 N -2.65 3.18 0.00 0.00 0.04 -1.26 -4.82 135.00 129.49 2dqa s PRO 3 Ca 0.66 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2dqa s PRO 3 Cb -0.43 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2dqa s PRO 3 CO 0.54 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 177.11 2dqa n GLY 4 N -2.51 -0.32 0.29 0.56 0.00 -1.26 -4.94 105.19 97.01 2dqa n GLY 4 Ca 0.07 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 2dqa n GLY 4 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2dqa h MET 5 N 0.00 1.03 -6.36 1.61 2.86 -1.95 -3.42 114.93 108.70 2dqa h MET 5 Ca 0.00 -0.39 -0.55 0.00 -2.06 0.00 0.00 59.70 56.71 2dqa h MET 5 Cb 0.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2dqa h MET 5 CO 0.00 1.08 0.82 0.08 1.06 0.00 0.00 176.91 179.94 2dqa s VAL 6 N -4.82 3.80 0.64 -2.22 1.01 -1.26 -4.97 120.40 112.58 2dqa s VAL 6 Ca -0.11 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 2dqa s VAL 6 Cb 0.13 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2dqa s VAL 6 CO 0.87 -0.01 1.18 -0.94 0.00 0.00 0.00 175.10 176.20 2dqa s SER 7 N 1.84 4.90 0.26 3.32 1.04 -1.26 -4.82 113.70 118.98 2dqa s SER 7 Ca 0.63 2.29 -0.03 0.00 0.48 0.00 0.00 55.95 59.32 2dqa s SER 7 Cb -0.30 -2.59 0.41 0.00 0.10 0.00 0.00 66.02 63.64 2dqa s SER 7 CO 0.26 -1.78 1.86 1.56 0.98 0.00 0.00 173.24 176.12 2dqa h GLN 8 N 0.37 1.05 -0.47 4.02 1.08 -1.93 -0.53 115.11 118.70 2dqa h GLN 8 Ca -0.49 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 56.61 2dqa h GLN 8 Cb 1.28 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 2dqa h GLN 8 CO 0.53 0.70 0.16 -0.22 -0.95 0.00 0.00 178.83 179.04 2dqa h LYS 9 N 1.08 0.73 -0.12 1.46 1.63 -1.91 -1.46 116.57 117.97 2dqa h LYS 9 Ca 0.43 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2dqa h LYS 9 Cb 0.22 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2dqa h LYS 9 CO -0.19 0.68 0.07 0.00 -3.45 0.00 0.00 179.45 176.57 2dqa h LEU 11 N 0.15 0.61 -0.58 0.00 3.38 -1.01 -0.34 115.31 117.51 2dqa h LEU 11 Ca 0.05 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2dqa h LEU 11 Cb -0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2dqa h LEU 11 CO -0.02 0.42 0.36 0.25 0.09 0.00 0.00 178.44 179.54 2dqa h LEU 12 N 0.74 0.60 -0.45 1.67 5.85 -1.07 0.20 115.31 122.85 2dqa h LEU 12 Ca 0.27 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 2dqa h LEU 12 Cb 0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2dqa h LEU 12 CO -0.13 0.43 0.21 0.00 -0.34 0.00 0.00 178.44 178.61 2dqa h MET 14 N 0.58 0.79 -0.52 0.00 2.86 -0.72 -2.23 114.93 115.68 2dqa h MET 14 Ca 0.15 -0.09 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2dqa h MET 14 Cb 0.12 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2dqa h MET 14 CO -0.02 0.60 0.21 0.00 1.06 0.00 0.00 176.91 178.76 2dqa h LYS 16 N 0.71 0.97 -0.23 0.00 1.57 -0.90 -2.47 116.57 116.21 2dqa h LYS 16 Ca 0.17 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2dqa h LYS 16 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2dqa h LYS 16 CO -0.01 0.72 -0.04 1.25 -0.57 0.00 0.00 179.45 180.80 2dqa h LEU 17 N 0.95 0.44 -0.32 2.94 5.85 -1.15 0.19 115.31 124.22 2dqa h LEU 17 Ca 0.24 -0.35 -0.16 0.00 0.84 0.00 0.00 57.88 58.45 2dqa h LEU 17 Cb 0.04 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2dqa h LEU 17 CO -0.04 0.68 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.99 2dqa h GLU 18 N 0.18 0.85 -0.02 1.25 4.39 -1.00 -3.33 114.58 116.90 2dqa h GLU 18 Ca 0.06 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 2dqa h GLU 18 Cb 0.48 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2dqa h GLU 18 CO 0.02 1.13 -0.46 -1.13 -1.16 0.00 0.00 179.01 177.40 2dqa n SER 19 N -4.10 1.77 -3.55 1.42 3.41 -0.95 -4.74 113.62 106.88 2dqa n SER 19 Ca -0.04 -3.88 -0.20 0.00 -0.26 0.00 0.00 58.87 54.49 2dqa n SER 19 Cb 0.56 -0.53 0.06 0.00 -0.26 0.00 0.00 64.21 64.04 2dqa n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dqa n GLY 20 N -1.13 -0.49 0.00 5.00 0.00 -1.06 -3.77 105.19 103.74 2dqa n GLY 20 Ca 0.20 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2dqa n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dqa n GLY 21 N -1.39 1.34 2.38 -0.02 0.00 0.63 -4.81 105.19 103.33 2dqa n GLY 21 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2dqa n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqa s LYS 23 N -2.53 0.49 -1.39 0.00 -0.14 -1.25 -4.98 119.74 109.94 2dqa s LYS 23 Ca 0.07 -0.69 -0.15 0.00 -1.36 0.00 0.00 55.97 53.84 2dqa s LYS 23 Cb -0.02 -0.26 0.06 0.00 -1.68 0.00 0.00 37.83 35.94 2dqa s LYS 23 CO 0.45 0.04 2.02 -0.35 -0.76 0.00 0.00 175.35 176.76 2dqa n PRO 24 N 1.62 3.03 0.00 -1.68 -0.04 -1.26 -3.48 135.00 133.19 2dqa n PRO 24 Ca -0.22 -2.92 0.15 0.00 -0.04 0.00 0.00 63.50 60.47 2dqa n PRO 24 Cb 0.55 -3.32 0.74 0.00 -0.04 0.00 0.00 33.50 31.43 2dqa n PRO 24 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2dqa n ILE 25 N 5.36 0.00 -4.51 0.52 -5.35 -1.26 -4.94 119.36 109.17 2dqa n ILE 25 Ca 0.50 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.88 2dqa n ILE 25 Cb 0.41 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.23 2dqa n ILE 25 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dqa n GLY 26 N 1.12 0.29 3.76 3.28 0.00 -1.26 -4.78 105.19 107.59 2dqa n GLY 26 Ca 0.20 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2dqa n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqa s ARG 28 N -1.49 0.38 -0.52 0.00 1.70 -0.10 -4.94 118.95 113.98 2dqa s ARG 28 Ca 0.20 -0.63 -0.15 0.00 -0.47 0.00 0.00 55.73 54.68 2dqa s ARG 28 Cb -0.12 -0.04 0.12 0.00 -0.57 0.00 0.00 34.95 34.34 2dqa s ARG 28 CO 0.10 -0.01 0.46 1.41 -1.08 0.00 0.00 175.30 176.18 2dqa s MET 29 N -1.43 2.94 -0.14 3.89 -2.45 -1.26 -1.42 119.30 119.43 2dqa s MET 29 Ca -0.13 -1.63 -0.03 0.00 -1.25 0.00 0.00 55.69 52.65 2dqa s MET 29 Cb -0.10 -4.22 -0.03 0.00 1.25 0.00 0.00 34.83 31.73 2dqa s MET 29 CO -0.00 -1.25 -0.05 -0.51 1.05 0.00 0.00 175.02 174.26 2dqa s ASP 30 N 3.28 4.71 -1.40 1.11 1.01 -1.16 -4.73 116.67 119.49 2dqa s ASP 30 Ca 0.03 -0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.17 2dqa s ASP 30 Cb -0.28 -1.69 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2dqa s ASP 30 CO 0.03 0.20 0.00 0.52 0.21 0.00 0.00 175.17 176.13 2dqa n VAL 31 N 3.33 0.00 0.00 -1.27 0.31 -1.26 -3.00 118.33 116.44 2dqa n VAL 31 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2dqa n VAL 31 Cb 0.53 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 2dqa n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dqa n GLY 32 N -0.13 1.08 3.10 2.92 0.00 -1.26 -5.10 105.19 105.80 2dqa n GLY 32 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 2dqa n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dqa s SER 33 N -2.00 0.01 -0.13 1.61 0.15 -1.16 -5.14 113.70 107.04 2dqa s SER 33 Ca 0.00 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.25 2dqa s SER 33 Cb 0.00 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.50 2dqa s SER 33 CO 0.00 -0.34 0.75 -0.22 1.20 0.00 0.00 173.24 174.63 2dqa s LEU 34 N -1.26 4.23 -0.02 3.45 2.96 -1.26 -2.98 118.68 123.80 2dqa s LEU 34 Ca -0.13 1.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.99 2dqa s LEU 34 Cb -0.07 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 2dqa s LEU 34 CO 0.01 -0.26 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.63 2dqa s SER 35 N 1.02 2.49 -0.00 3.68 1.04 -0.51 -4.27 113.70 117.15 2dqa s SER 35 Ca 0.37 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.46 2dqa s SER 35 Cb -0.17 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.63 2dqa s SER 35 CO 0.15 0.26 -0.16 0.00 0.98 0.00 0.00 173.24 174.47 2dqa n GLY 37 N 2.54 -0.73 0.28 0.00 0.00 0.11 -1.42 105.19 105.97 2dqa n GLY 37 Ca -0.15 -1.16 0.07 0.00 0.00 0.00 0.00 46.02 44.78 2dqa n GLY 37 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2dqa h TYR 38 N 0.00 0.26 -0.32 1.61 0.05 -1.42 -2.10 116.97 115.05 2dqa h TYR 38 Ca 0.00 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2dqa h TYR 38 Cb 0.00 0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.75 2dqa h TYR 38 CO 0.00 -0.13 0.00 1.19 -1.05 0.00 0.00 178.16 178.17 2dqa n PHE 39 N -5.19 0.42 -3.73 4.88 3.72 -1.26 -3.46 117.46 112.84 2dqa n PHE 39 Ca 0.16 -0.38 -0.28 0.00 -0.05 0.00 0.00 57.45 56.89 2dqa n PHE 39 Cb 0.51 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.06 2dqa n PHE 39 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2dqa n GLN 40 N 0.70 -2.17 -2.72 -1.08 1.13 -0.79 -4.92 117.38 107.53 2dqa n GLN 40 Ca 0.12 0.48 -0.42 0.00 -1.94 0.00 0.00 57.00 55.24 2dqa n GLN 40 Cb 0.43 -4.40 -0.03 0.00 0.11 0.00 0.00 30.24 26.34 2dqa n GLN 40 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dqa s ILE 41 N -3.59 4.86 0.51 5.09 1.01 -0.51 -4.27 121.20 124.29 2dqa s ILE 41 Ca 0.31 2.03 -0.04 0.00 0.00 0.00 0.00 60.65 62.95 2dqa s ILE 41 Cb -0.11 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 2dqa s ILE 41 CO 0.86 0.12 0.80 -0.54 0.00 0.00 0.00 174.94 176.18 2dqa s LYS 42 N 1.27 3.28 0.13 2.79 1.02 -1.26 -1.15 119.74 125.82 2dqa s LYS 42 Ca 0.50 0.02 -0.17 0.00 0.02 0.00 0.00 55.97 56.34 2dqa s LYS 42 Cb -0.20 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2dqa s LYS 42 CO 0.25 -0.36 1.75 0.37 -0.92 0.00 0.00 175.35 176.44 2dqa h GLN 43 N 0.14 0.46 -0.50 1.68 4.15 -1.98 -2.34 115.11 116.73 2dqa h GLN 43 Ca -0.46 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 58.94 2dqa h GLN 43 Cb 1.23 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 2dqa h GLN 43 CO 0.61 0.37 0.33 -1.35 -1.93 0.00 0.00 178.83 176.86 2dqa h PRO 44 N 0.42 0.53 -0.30 -2.39 0.11 -1.96 -0.96 132.00 127.46 2dqa h PRO 44 Ca 0.12 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2dqa h PRO 44 Cb 0.04 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 2dqa h PRO 44 CO -0.02 0.35 0.17 -0.92 -0.21 0.00 0.00 178.00 177.37 2dqa h TYR 45 N 0.55 0.41 -0.60 0.65 5.03 -1.85 -0.46 116.97 120.70 2dqa h TYR 45 Ca 0.20 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.43 2dqa h TYR 45 Cb 0.12 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.25 2dqa h TYR 45 CO -0.00 0.32 0.06 2.35 -1.32 0.00 0.00 178.16 179.58 2dqa h TRP 46 N 0.37 1.05 -0.24 -3.82 7.01 -0.89 0.54 115.95 119.97 2dqa h TRP 46 Ca 0.11 -0.15 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 2dqa h TRP 46 Cb 0.05 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 2dqa h TRP 46 CO -0.03 0.91 0.15 0.82 -2.79 0.00 0.00 178.44 177.50 2dqa h ILE 47 N 0.92 1.09 0.00 2.65 2.04 -1.05 -1.54 117.51 121.63 2dqa h ILE 47 Ca 0.18 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 2dqa h ILE 47 Cb 0.45 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2dqa h ILE 47 CO 0.02 0.08 -0.36 0.44 0.00 0.00 0.00 178.15 178.33 2dqa h ASP 48 N 0.31 0.00 -0.10 1.72 5.19 -0.56 -2.76 116.42 120.22 2dqa h ASP 48 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2dqa h ASP 48 Cb 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2dqa h ASP 48 CO -0.02 0.36 0.00 0.00 -3.12 0.00 0.00 179.24 176.46 2dqa n GLY 50 N 0.77 0.93 3.83 0.00 0.00 -1.04 -4.56 105.19 105.12 2dqa n GLY 50 Ca 0.08 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2dqa n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dqa n LYS 51 N -2.11 -2.67 -2.12 1.61 5.02 -0.59 -4.93 118.16 112.36 2dqa n LYS 51 Ca 0.00 0.44 -0.34 0.00 -2.02 0.00 0.00 58.31 56.39 2dqa n LYS 51 Cb 0.00 -4.41 0.01 0.00 -0.02 0.00 0.00 35.03 30.61 2dqa n LYS 51 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2dqa s PRO 52 N -6.30 3.24 1.56 1.97 0.04 -1.26 -4.84 135.00 129.40 2dqa s PRO 52 Ca 0.18 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2dqa s PRO 52 Cb -0.07 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2dqa s PRO 52 CO 0.87 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 177.41 2dqa n GLY 53 N -0.24 -1.67 0.15 0.56 0.00 -1.26 -4.50 105.19 98.24 2dqa n GLY 53 Ca 0.11 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.62 2dqa n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dqa h LYS 54 N 0.00 0.45 -2.59 1.61 1.57 -1.95 -3.49 116.57 112.18 2dqa h LYS 54 Ca 0.00 -0.45 0.13 0.00 -1.87 0.00 0.00 60.65 58.46 2dqa h LYS 54 Cb 0.00 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 2dqa h LYS 54 CO 0.00 1.10 0.42 0.16 -0.57 0.00 0.00 179.45 180.56 2dqa s ASP 55 N -6.75 -0.14 0.13 0.86 -4.77 -1.26 -5.05 116.67 99.69 2dqa s ASP 55 Ca -0.13 -0.59 -0.27 0.00 -3.30 0.00 0.00 52.55 48.27 2dqa s ASP 55 Cb 0.04 0.59 -0.04 0.00 -1.09 0.00 0.00 42.92 42.42 2dqa s ASP 55 CO 0.83 -1.11 1.61 -0.25 0.70 0.00 0.00 175.17 176.95 2dqa h TRP 56 N 2.00 -0.91 -0.24 2.11 7.01 -1.94 -1.33 115.95 122.66 2dqa h TRP 56 Ca -0.25 0.04 -0.20 0.00 2.11 0.00 0.00 58.89 60.59 2dqa h TRP 56 Cb 1.23 0.41 0.00 0.00 -2.10 0.00 0.00 29.16 28.71 2dqa h TRP 56 CO 0.68 -0.41 -0.63 0.87 -2.79 0.00 0.00 178.44 176.17 2dqa h LYS 57 N -0.44 0.82 -0.53 2.65 1.57 -1.98 -0.90 116.57 117.77 2dqa h LYS 57 Ca 0.08 -0.57 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 2dqa h LYS 57 Cb 0.56 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2dqa h LYS 57 CO -0.32 1.19 -0.13 0.66 -0.57 0.00 0.00 179.45 180.28 2dqa h SER 58 N 0.61 1.03 -0.40 0.86 4.64 -1.98 -2.65 113.55 115.66 2dqa h SER 58 Ca -0.01 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2dqa h SER 58 Cb 1.24 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2dqa h SER 58 CO 0.13 1.16 0.27 0.00 -0.87 0.00 0.00 176.83 177.52 2dqa h SER 60 N 0.54 0.12 -0.37 0.00 0.02 -0.99 -1.41 113.55 111.47 2dqa h SER 60 Ca 0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2dqa h SER 60 Cb -0.06 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2dqa h SER 60 CO -0.03 0.15 0.00 0.59 -1.14 0.00 0.00 176.83 176.40 2dqa n ASN 61 N -4.46 2.02 -4.31 3.07 5.03 -1.02 -1.95 115.26 113.65 2dqa n ASN 61 Ca -0.01 -2.01 -0.33 0.00 0.87 0.00 0.00 54.58 53.10 2dqa n ASN 61 Cb 0.13 -0.26 -0.15 0.00 -1.02 0.00 0.00 39.78 38.49 2dqa n ASN 61 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2dqa s ASP 62 N -0.99 3.84 0.24 6.41 -1.08 -0.55 -4.81 116.67 119.73 2dqa s ASP 62 Ca 0.25 -0.41 -0.06 0.00 -0.52 0.00 0.00 52.55 51.81 2dqa s ASP 62 Cb 0.13 -1.60 0.25 0.00 -1.46 0.00 0.00 42.92 40.24 2dqa s ASP 62 CO 0.17 0.10 1.82 -0.29 0.52 0.00 0.00 175.17 177.49 2dqa h ILE 63 N 5.58 1.25 -0.05 4.11 2.10 -1.87 -0.53 117.51 128.09 2dqa h ILE 63 Ca -0.31 -0.76 -0.08 0.00 1.08 0.00 0.00 64.86 64.79 2dqa h ILE 63 Cb 1.20 0.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2dqa h ILE 63 CO 0.57 0.31 -0.29 -1.13 -1.08 0.00 0.00 178.15 176.53 2dqa h ASN 64 N 1.10 0.34 -0.23 2.19 -1.24 -1.95 -2.81 115.58 112.98 2dqa h ASN 64 Ca 0.26 -0.67 -0.04 0.00 0.71 0.00 0.00 56.30 56.56 2dqa h ASN 64 Cb 0.17 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 2dqa h ASN 64 CO -0.03 0.96 -0.00 0.00 -1.29 0.00 0.00 177.43 177.07 2dqa h SER 66 N 0.18 0.73 0.04 0.00 4.64 -0.84 -0.21 113.55 118.08 2dqa h SER 66 Ca 0.07 -0.20 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 2dqa h SER 66 Cb 0.41 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2dqa h SER 66 CO 0.01 0.73 -0.34 0.77 -0.87 0.00 0.00 176.83 177.14 2dqa h SER 67 N 0.68 0.44 -0.85 4.97 4.64 -1.49 -1.71 113.55 120.23 2dqa h SER 67 Ca 0.16 -0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2dqa h SER 67 Cb 0.26 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2dqa h SER 67 CO -0.01 0.75 0.53 0.50 -0.87 0.00 0.00 176.83 177.73 2dqa h LYS 68 N 0.37 1.15 -0.13 4.77 3.64 -0.60 -0.82 116.57 124.95 2dqa h LYS 68 Ca 0.04 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dqa h LYS 68 Cb 0.77 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2dqa h LYS 68 CO 0.06 0.79 0.08 0.00 -2.27 0.00 0.00 179.45 178.12 2dqa h VAL 70 N 0.16 0.78 -0.56 0.00 2.07 -0.99 0.14 116.25 117.86 2dqa h VAL 70 Ca 0.05 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.59 2dqa h VAL 70 Cb -0.01 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2dqa h VAL 70 CO -0.01 0.02 0.28 1.56 0.02 0.00 0.00 177.57 179.44 2dqa h GLN 71 N 0.09 0.52 -0.01 1.57 1.08 -0.89 -1.67 115.11 115.80 2dqa h GLN 71 Ca 0.15 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.15 2dqa h GLN 71 Cb 0.19 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 2dqa h GLN 71 CO -0.24 0.35 -0.74 1.96 -0.95 0.00 0.00 178.83 179.20 2dqa h GLN 72 N 0.54 0.08 -0.40 1.46 4.20 -0.66 -1.16 115.11 119.16 2dqa h GLN 72 Ca 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2dqa h GLN 72 Cb 0.17 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2dqa h GLN 72 CO -0.18 0.78 0.22 -0.92 -0.67 0.00 0.00 178.83 178.07 2dqa h TYR 73 N 0.05 0.56 -0.52 2.96 3.20 -0.31 -1.43 116.97 121.47 2dqa h TYR 73 Ca -0.02 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 2dqa h TYR 73 Cb 1.31 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2dqa h TYR 73 CO 0.01 0.43 -0.10 0.52 -1.64 0.00 0.00 178.16 177.38 2dqa h MET 74 N 0.52 0.97 -0.84 1.82 2.86 -1.12 -0.41 114.93 118.72 2dqa h MET 74 Ca 0.14 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 2dqa h MET 74 Cb 0.06 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 2dqa h MET 74 CO -0.02 1.01 0.56 -0.22 1.06 0.00 0.00 176.91 179.30 2dqa h LYS 75 N 0.87 1.03 -0.00 1.72 1.63 -1.04 -0.70 116.57 120.08 2dqa h LYS 75 Ca 0.14 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2dqa h LYS 75 Cb 0.65 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 2dqa h LYS 75 CO 0.04 0.68 -0.01 -0.09 -3.45 0.00 0.00 179.45 176.63 2dqa h ARG 76 N 1.06 0.01 0.00 1.90 2.43 -0.90 -3.40 114.38 115.48 2dqa h ARG 76 Ca 0.33 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 59.22 2dqa h ARG 76 Cb 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2dqa h ARG 76 CO -0.09 0.68 -2.05 0.66 -1.51 0.00 0.00 179.97 177.65 2dqa n TYR 77 N -4.76 0.00 0.11 2.20 0.53 -0.20 -3.80 117.16 111.24 2dqa n TYR 77 Ca -0.09 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.82 2dqa n TYR 77 Cb 0.34 -0.71 0.40 0.00 -1.03 0.00 0.00 39.34 38.33 2dqa n TYR 77 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2dqa h ALA 78 N 0.03 1.53 0.38 -0.72 0.00 -1.29 -0.03 119.26 119.15 2dqa h ALA 78 Ca -0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2dqa h ALA 78 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2dqa h ALA 78 CO -0.06 0.34 -0.18 1.79 0.00 0.00 0.00 179.25 181.13 2dqa h THR 79 N 0.25 0.34 -0.61 0.00 1.35 -1.76 -0.62 112.91 111.86 2dqa h THR 79 Ca 0.05 -0.68 0.06 0.00 -0.55 0.00 0.00 66.41 65.30 2dqa h THR 79 Cb 0.33 0.54 -0.05 0.00 -1.73 0.00 0.00 68.15 67.24 2dqa h THR 79 CO 0.02 0.08 0.32 -0.74 -0.25 0.00 0.00 175.52 174.95 2dqa h HIS 80 N -1.02 0.59 -0.27 4.73 6.17 -1.60 -2.00 115.15 121.75 2dqa h HIS 80 Ca -0.05 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2dqa h HIS 80 Cb 0.51 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.27 2dqa h HIS 80 CO 0.03 0.28 0.00 0.66 0.71 0.00 0.00 177.93 179.60 2dqa n TYR 81 N -4.83 0.41 -3.75 5.26 4.02 -0.04 -4.92 117.16 113.29 2dqa n TYR 81 Ca 0.07 -0.19 -0.25 0.00 -0.01 0.00 0.00 57.90 57.52 2dqa n TYR 81 Cb 0.17 -0.02 0.04 0.00 -0.02 0.00 0.00 39.34 39.51 2dqa n TYR 81 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2dqa n ARG 82 N 0.30 -5.99 -1.93 -0.72 1.74 -0.75 -4.97 116.66 104.34 2dqa n ARG 82 Ca 0.09 0.67 -0.33 0.00 -0.77 0.00 0.00 57.85 57.52 2dqa n ARG 82 Cb 0.27 -5.53 0.03 0.00 -1.02 0.00 0.00 32.46 26.21 2dqa n ARG 82 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dqa s PRO 84 N -4.05 4.17 -1.27 0.00 0.02 -1.26 -4.86 135.00 127.74 2dqa s PRO 84 Ca 0.65 2.49 -0.08 0.00 0.02 0.00 0.00 61.00 64.08 2dqa s PRO 84 Cb -0.18 -3.08 0.17 0.00 0.02 0.00 0.00 34.50 31.42 2dqa s PRO 84 CO 0.39 -0.62 1.99 1.28 -0.33 0.00 0.00 177.00 179.70 2dqa n LEU 85 N 3.10 7.04 -4.16 -5.54 4.77 -1.26 -3.99 117.00 116.96 2dqa n LEU 85 Ca 0.11 -4.77 -0.16 0.00 -0.03 0.00 0.00 56.01 51.16 2dqa n LEU 85 Cb 0.38 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 39.98 2dqa n LEU 85 CO 0.63 1.61 0.01 0.54 -1.33 0.00 0.00 177.39 178.84 2dqa s ASN 86 N 0.46 1.01 0.26 -1.43 2.20 -1.26 -5.03 114.94 111.16 2dqa s ASN 86 Ca 0.43 -1.53 -0.02 0.00 -0.94 0.00 0.00 52.86 50.80 2dqa s ASN 86 Cb 0.12 0.59 0.47 0.00 -2.00 0.00 0.00 41.25 40.43 2dqa s ASN 86 CO -0.02 -1.15 1.83 0.00 -2.94 0.00 0.00 177.10 174.82 2dqa h GLU 88 N 0.91 -0.05 -0.23 0.00 4.81 -1.91 0.19 114.58 118.30 2dqa h GLU 88 Ca 0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2dqa h GLU 88 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2dqa h GLU 88 CO -0.25 -0.03 0.14 0.78 -0.73 0.00 0.00 179.01 178.92 2dqa h GLY 89 N -0.05 0.32 0.98 1.92 0.00 -1.38 -1.69 103.07 103.17 2dqa h GLY 89 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2dqa h GLY 89 CO -0.22 0.11 -0.07 0.74 0.00 0.00 0.00 176.54 177.09 2dqa h PHE 90 N 0.29 0.87 -0.76 5.60 0.05 -0.94 -1.02 116.94 121.03 2dqa h PHE 90 Ca 0.09 -0.18 0.00 0.00 3.82 0.00 0.00 57.97 61.70 2dqa h PHE 90 Cb -0.02 -0.22 -0.04 0.00 2.00 0.00 0.00 35.95 37.67 2dqa h PHE 90 CO -0.07 0.89 0.48 0.00 -0.18 0.00 0.00 178.31 179.43 2dqa h ALA 91 N 0.86 0.97 -0.17 2.45 0.00 -0.56 -0.35 119.26 122.47 2dqa h ALA 91 Ca 0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 2dqa h ALA 91 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dqa h ALA 91 CO 0.04 0.41 -0.53 0.00 0.00 0.00 0.00 179.25 179.17 2dqa h ARG 92 N 1.04 0.49 -0.17 0.00 3.08 -1.16 -1.22 114.38 116.43 2dqa h ARG 92 Ca 0.28 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dqa h ARG 92 Cb -0.08 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2dqa h ARG 92 CO -0.06 0.90 0.11 0.93 -1.07 0.00 0.00 179.97 180.78 2dqa h GLU 93 N 0.38 0.24 -0.73 0.04 4.39 -0.93 0.92 114.58 118.89 2dqa h GLU 93 Ca 0.01 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.74 2dqa h GLU 93 Cb 1.06 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.60 2dqa h GLU 93 CO 0.10 0.19 0.43 1.25 -1.16 0.00 0.00 179.01 179.82 2dqa h HIS 94 N 0.21 0.80 0.00 4.33 2.76 -0.85 0.25 115.15 122.65 2dqa h HIS 94 Ca 0.06 0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 58.03 2dqa h HIS 94 Cb 0.01 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2dqa h HIS 94 CO -0.05 0.41 -0.94 -0.97 -1.30 0.00 0.00 177.93 175.07 2dqa h ASN 95 N 0.80 0.52 -0.00 3.26 -0.73 -1.09 -3.38 115.58 114.96 2dqa h ASN 95 Ca 0.32 -0.42 0.00 0.00 1.87 0.00 0.00 56.30 58.07 2dqa h ASN 95 Cb 0.14 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.57 2dqa h ASN 95 CO -0.16 1.22 -0.27 0.61 -0.37 0.00 0.00 177.43 178.45 2dqa n GLY 96 N 0.95 -0.00 0.68 1.57 0.00 0.30 -5.03 105.19 103.66 2dqa n GLY 96 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2dqa n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dqa n GLY 97 N 0.99 -1.80 0.37 -0.02 0.00 0.86 -4.16 105.19 101.44 2dqa n GLY 97 Ca 0.03 -1.97 0.16 0.00 0.00 0.00 0.00 46.02 44.24 2dqa n GLY 97 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dqa h PRO 98 N 0.00 0.26 0.00 1.61 0.11 -1.95 -1.07 132.00 130.96 2dqa h PRO 98 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 2dqa h PRO 98 Cb 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 2dqa h PRO 98 CO 0.00 0.17 -0.38 -1.71 -0.21 0.00 0.00 178.00 175.88 2dqa n ASN 99 N -4.44 1.85 0.22 -2.05 4.05 -1.26 -4.62 115.26 109.01 2dqa n ASN 99 Ca 0.12 -3.62 0.11 0.00 0.45 0.00 0.00 54.58 51.64 2dqa n ASN 99 Cb 0.52 -0.49 0.68 0.00 1.23 0.00 0.00 39.78 41.72 2dqa n ASN 99 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 2dqa h GLY 100 N 0.72 0.00 2.00 8.20 0.00 -1.35 -1.91 103.07 110.73 2dqa h GLY 100 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dqa h GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2dqa n HIS 102 N -2.58 0.86 -4.86 0.00 -0.00 -0.72 -4.95 115.22 102.97 2dqa n HIS 102 Ca -0.00 -0.85 -0.33 0.00 -0.00 0.00 0.00 57.72 56.55 2dqa n HIS 102 Cb 0.17 -0.28 -0.15 0.00 -0.00 0.00 0.00 29.99 29.73 2dqa n HIS 102 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2dqa s SER 103 N -1.88 3.86 0.54 0.41 0.15 -0.77 -5.01 113.70 110.98 2dqa s SER 103 Ca 0.40 -0.35 0.30 0.00 0.70 0.00 0.00 55.95 57.00 2dqa s SER 103 Cb 0.32 -1.50 1.49 0.00 -1.71 0.00 0.00 66.02 64.62 2dqa s SER 103 CO 0.09 0.18 2.07 0.77 1.20 0.00 0.00 173.24 177.55 2dqa h SER 104 N 6.57 0.00 0.46 5.45 4.64 -1.93 -2.98 113.55 125.76 2dqa h SER 104 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2dqa h SER 104 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2dqa h SER 104 CO 0.54 0.10 0.00 -2.11 -0.87 0.00 0.00 176.83 174.49 2dqa n ARG 105 N -3.45 0.39 0.00 4.77 1.85 -1.26 -2.34 116.66 116.61 2dqa n ARG 105 Ca -0.01 0.04 0.12 0.00 -1.00 0.00 0.00 57.85 57.00 2dqa n ARG 105 Cb 0.25 -1.50 0.26 0.00 -1.05 0.00 0.00 32.46 30.42 2dqa n ARG 105 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2dqa n THR 106 N -1.27 0.00 -0.14 8.89 -2.24 -1.12 -4.42 114.28 113.98 2dqa n THR 106 Ca 0.13 -0.20 -0.08 0.00 -2.27 0.00 0.00 64.05 61.62 2dqa n THR 106 Cb 0.20 0.74 0.06 0.00 -2.10 0.00 0.00 70.33 69.23 2dqa n THR 106 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2dqa h LEU 107 N 1.92 0.91 -0.81 3.22 3.38 -1.65 -2.83 115.31 119.45 2dqa h LEU 107 Ca 0.00 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.75 2dqa h LEU 107 Cb 0.61 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2dqa h LEU 107 CO 0.00 1.05 0.47 0.11 0.09 0.00 0.00 178.44 180.16 2dqa h LYS 108 N 0.81 0.78 -0.18 1.13 1.79 -1.79 0.23 116.57 119.34 2dqa h LYS 108 Ca 0.13 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 2dqa h LYS 108 Cb 0.67 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 2dqa h LYS 108 CO 0.05 0.52 0.08 -0.92 -1.08 0.00 0.00 179.45 178.10 2dqa h TYR 109 N 0.80 0.15 -0.62 -1.35 3.20 -1.80 -0.24 116.97 117.11 2dqa h TYR 109 Ca 0.38 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 2dqa h TYR 109 Cb 0.32 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 2dqa h TYR 109 CO -0.06 0.08 0.30 2.35 -1.64 0.00 0.00 178.16 179.19 2dqa h TRP 110 N 0.18 0.89 -0.68 -3.82 -0.00 -1.10 -0.09 115.95 111.33 2dqa h TRP 110 Ca 0.08 -0.04 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 2dqa h TRP 110 Cb 0.03 -0.28 -0.04 0.00 -0.00 0.00 0.00 29.16 28.87 2dqa h TRP 110 CO -0.10 0.67 0.43 0.93 -0.00 0.00 0.00 178.44 180.37 2dqa h GLU 111 N 0.85 0.82 -0.35 2.65 5.08 -0.34 -2.63 114.58 120.66 2dqa h GLU 111 Ca 0.21 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 2dqa h GLU 111 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2dqa h GLU 111 CO -0.03 0.54 -0.32 1.25 -1.00 0.00 0.00 179.01 179.45 2dqa h LEU 112 N 0.84 0.88 -0.66 1.33 5.85 -0.70 -3.18 115.31 119.68 2dqa h LEU 112 Ca 0.27 -0.46 0.10 0.00 0.84 0.00 0.00 57.88 58.63 2dqa h LEU 112 Cb 0.00 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 2dqa h LEU 112 CO -0.10 1.16 0.27 0.25 -0.34 0.00 0.00 178.44 179.68 2dqa h LEU 113 N 0.62 0.29 -2.25 2.25 6.46 -0.84 -1.68 115.31 120.16 2dqa h LEU 113 Ca 0.06 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2dqa h LEU 113 Cb 0.90 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 2dqa h LEU 113 CO 0.08 0.16 -0.02 1.56 -0.62 0.00 0.00 178.44 179.60 2dqa h GLN 114 N 0.46 0.00 -0.00 1.25 4.20 -1.45 -2.57 115.11 116.99 2dqa h GLN 114 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2dqa h GLN 114 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2dqa h GLN 114 CO -0.31 0.02 -0.36 1.63 -0.67 0.00 0.00 178.83 179.15 2dqa n LYS 115 N -3.22 0.39 -2.21 1.46 5.02 -0.64 -2.66 118.16 116.31 2dqa n LYS 115 Ca -0.02 -0.22 -0.42 0.00 -2.02 0.00 0.00 58.31 55.64 2dqa n LYS 115 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2dqa n LYS 115 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dqa s ILE 116 N -2.76 3.34 0.01 -0.18 1.01 -0.97 -4.93 121.20 116.73 2dqa s ILE 116 Ca 0.18 1.00 -0.37 0.00 0.00 0.00 0.00 60.65 61.46 2dqa s ILE 116 Cb 0.18 -3.64 -0.16 0.00 0.01 0.00 0.00 42.46 38.85 2dqa s ILE 116 CO 0.60 0.10 1.44 -2.65 0.00 0.00 0.00 174.94 174.43 2dqa n PRO 117 N 3.56 1.19 -0.08 2.79 -0.02 -1.26 -0.67 135.00 140.51 2dqa n PRO 117 Ca 0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2dqa n PRO 117 Cb 0.43 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2dqa n PRO 117 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dqa n GLY 118 N 2.91 1.14 0.68 -1.23 0.00 -1.26 -4.92 105.19 102.50 2dqa n GLY 118 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 2dqa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqa s LYS 120 N -1.55 4.19 -1.27 0.00 2.20 -1.09 -2.39 119.74 119.83 2dqa s LYS 120 Ca 0.20 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 2dqa s LYS 120 Cb 0.15 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2dqa s LYS 120 CO 0.25 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 2dqa n GLY 121 N 4.01 1.02 3.77 5.54 0.00 -1.26 -4.97 105.19 113.30 2dqa n GLY 121 Ca 0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2dqa n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dqa s VAL 122 N -2.50 2.00 -0.19 1.61 0.11 -1.01 -5.13 120.40 115.30 2dqa s VAL 122 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2dqa s VAL 122 Cb 0.00 -3.00 0.01 0.00 -1.53 0.00 0.00 36.38 31.86 2dqa s VAL 122 CO 0.00 0.00 0.55 0.29 -3.33 0.00 0.00 175.10 172.61