#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 1.83 -1.57 4.37 0.00 -1.26 -4.99 120.51 118.89 2dqa n ALA 2 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 2dqa n ALA 2 Cb 0.00 -2.34 0.07 0.00 0.00 0.00 0.00 19.45 17.18 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 -2.07 2.49 0.00 0.00 0.04 -1.26 -4.81 135.00 129.39 2dqa s PRO 3 Ca 0.56 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2dqa s PRO 3 Cb -0.51 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2dqa s PRO 3 CO 0.62 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.70 2dqa n GLY 4 N -2.08 -0.26 0.17 0.56 0.00 -1.26 -4.93 105.19 97.40 2dqa n GLY 4 Ca 0.07 -1.36 0.05 0.00 0.00 0.00 0.00 46.02 44.78 2dqa n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqa h MET 5 N 0.68 0.00 -6.25 1.61 -0.00 -1.95 -3.42 114.93 105.61 2dqa h MET 5 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 59.14 2dqa h MET 5 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.56 2dqa h MET 5 CO 0.00 0.39 0.61 0.08 -0.00 0.00 0.00 176.91 177.99 2dqa s VAL 6 N -3.31 4.69 0.71 -0.10 1.01 -1.26 -4.95 120.40 117.19 2dqa s VAL 6 Ca 0.02 1.97 -0.15 0.00 0.00 0.00 0.00 61.98 63.82 2dqa s VAL 6 Cb 0.09 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2dqa s VAL 6 CO 0.70 -0.02 1.18 -0.94 0.00 0.00 0.00 175.10 176.03 2dqa s SER 7 N 1.17 4.45 0.26 3.32 1.04 -1.26 -4.81 113.70 117.88 2dqa s SER 7 Ca 0.49 2.26 -0.05 0.00 0.48 0.00 0.00 55.95 59.13 2dqa s SER 7 Cb -0.19 -2.58 0.32 0.00 0.10 0.00 0.00 66.02 63.67 2dqa s SER 7 CO 0.17 -2.08 1.93 1.56 0.98 0.00 0.00 173.24 175.80 2dqa h GLN 8 N -0.19 1.22 -0.53 4.02 1.08 -1.93 -0.83 115.11 117.94 2dqa h GLN 8 Ca -0.47 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 56.61 2dqa h GLN 8 Cb 1.28 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 2dqa h GLN 8 CO 0.51 0.83 0.23 0.87 -0.95 0.00 0.00 178.83 180.32 2dqa h LYS 9 N 1.25 0.78 -0.15 1.46 1.57 -1.91 -1.40 116.57 118.17 2dqa h LYS 9 Ca 0.33 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2dqa h LYS 9 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2dqa h LYS 9 CO -0.07 0.67 0.07 0.00 -0.57 0.00 0.00 179.45 179.55 2dqa h LEU 11 N 0.11 0.93 -0.59 0.00 3.38 -1.04 -0.60 115.31 117.49 2dqa h LEU 11 Ca 0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2dqa h LEU 11 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2dqa h LEU 11 CO -0.01 0.64 0.28 0.25 0.09 0.00 0.00 178.44 179.69 2dqa h LEU 12 N 1.09 0.78 -0.47 1.67 6.46 -1.08 0.18 115.31 123.94 2dqa h LEU 12 Ca 0.36 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 2dqa h LEU 12 Cb 0.03 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 2dqa h LEU 12 CO -0.13 0.70 0.24 0.00 -0.62 0.00 0.00 178.44 178.63 2dqa h MET 14 N 0.61 0.91 -0.48 0.00 2.86 -0.77 -1.91 114.93 116.16 2dqa h MET 14 Ca 0.16 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2dqa h MET 14 Cb 0.09 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2dqa h MET 14 CO -0.02 0.81 0.19 0.00 1.06 0.00 0.00 176.91 178.94 2dqa h LYS 16 N 0.63 1.27 0.10 0.00 1.57 -0.96 -2.53 116.57 116.65 2dqa h LYS 16 Ca 0.16 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2dqa h LYS 16 Cb 0.20 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2dqa h LYS 16 CO -0.01 0.88 -0.05 1.25 -0.57 0.00 0.00 179.45 180.95 2dqa h LEU 17 N 1.30 -0.11 -0.62 2.94 5.85 -1.14 -0.29 115.31 123.24 2dqa h LEU 17 Ca 0.34 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2dqa h LEU 17 Cb -0.08 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2dqa h LEU 17 CO -0.07 0.32 0.11 -0.33 -0.34 0.00 0.00 178.44 178.13 2dqa h GLU 18 N -0.57 1.01 -0.15 1.25 4.39 -1.08 -3.29 114.58 116.14 2dqa h GLU 18 Ca -0.01 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2dqa h GLU 18 Cb 0.46 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2dqa h GLU 18 CO 0.02 0.94 0.00 -1.13 -1.16 0.00 0.00 179.01 177.69 2dqa n SER 19 N -4.29 2.51 -2.33 1.42 3.41 -0.97 -4.74 113.62 108.63 2dqa n SER 19 Ca 0.03 -2.16 -0.08 0.00 -0.26 0.00 0.00 58.87 56.40 2dqa n SER 19 Cb 0.27 -0.16 0.04 0.00 -0.26 0.00 0.00 64.21 64.11 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 -0.19 -0.06 0.00 5.00 0.00 -0.86 -4.19 105.19 104.89 2dqa n GLY 20 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.18 1.31 2.13 -0.02 0.00 -0.17 -4.80 105.19 102.44 2dqa n GLY 21 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 0.35 -1.37 0.00 -0.14 -1.26 -4.99 119.74 110.24 2dqa s LYS 23 Ca 0.08 -0.59 -0.15 0.00 -1.36 0.00 0.00 55.97 53.94 2dqa s LYS 23 Cb -0.02 -0.03 0.07 0.00 -1.68 0.00 0.00 37.83 36.16 2dqa s LYS 23 CO 0.34 -0.01 1.96 -0.35 -0.76 0.00 0.00 175.35 176.53 2dqa n PRO 24 N 1.72 3.07 -0.00 -1.68 -0.04 -1.26 -3.46 135.00 133.34 2dqa n PRO 24 Ca -0.22 -3.00 0.15 0.00 -0.04 0.00 0.00 63.50 60.38 2dqa n PRO 24 Cb 0.55 -3.35 0.67 0.00 -0.04 0.00 0.00 33.50 31.34 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 5.53 0.00 -4.56 0.52 -5.35 -1.26 -4.94 119.36 109.30 2dqa n ILE 25 Ca 0.49 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.81 2dqa n ILE 25 Cb 0.42 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 1.11 0.29 3.79 3.28 0.00 -1.26 -4.80 105.19 107.60 2dqa n GLY 26 Ca 0.21 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.26 0.74 0.06 0.00 1.81 -0.07 -4.93 118.95 115.30 2dqa s ARG 28 Ca 0.18 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.44 2dqa s ARG 28 Cb -0.12 -0.70 -0.04 0.00 -0.45 0.00 0.00 34.95 33.64 2dqa s ARG 28 CO 0.07 0.18 0.97 1.41 -0.68 0.00 0.00 175.30 177.26 2dqa s MET 29 N -0.54 4.63 -0.29 3.54 -2.45 -1.26 -0.96 119.30 121.97 2dqa s MET 29 Ca 0.02 1.44 -0.12 0.00 -1.25 0.00 0.00 55.69 55.78 2dqa s MET 29 Cb -0.05 -3.41 0.12 0.00 1.25 0.00 0.00 34.83 32.73 2dqa s MET 29 CO 0.00 0.08 0.68 0.16 1.05 0.00 0.00 175.02 176.99 2dqa s ASP 30 N 0.48 -1.06 -1.27 1.11 -4.77 -0.36 -4.94 116.67 105.86 2dqa s ASP 30 Ca 0.49 1.52 -0.04 0.00 -3.30 0.00 0.00 52.55 51.22 2dqa s ASP 30 Cb -0.22 2.00 0.00 0.00 -1.09 0.00 0.00 42.92 43.61 2dqa s ASP 30 CO 0.29 -0.22 1.09 0.52 0.70 0.00 0.00 175.17 177.55 2dqa n VAL 31 N 5.07 -4.56 -1.06 2.11 0.31 -1.26 -3.30 118.33 115.64 2dqa n VAL 31 Ca -0.14 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 2dqa n VAL 31 Cb 0.52 -4.52 -0.01 0.00 -0.91 0.00 0.00 33.84 28.93 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 -1.55 0.49 3.31 2.92 0.00 -1.26 -4.98 105.19 104.12 2dqa n GLY 32 Ca -0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 2dqa n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dqa s SER 33 N -2.25 -0.23 0.12 1.61 1.04 -1.21 -5.15 113.70 107.63 2dqa s SER 33 Ca 0.00 -0.19 -0.29 0.00 0.48 0.00 0.00 55.95 55.95 2dqa s SER 33 Cb 0.00 0.44 -0.06 0.00 0.10 0.00 0.00 66.02 66.50 2dqa s SER 33 CO 0.00 -0.75 0.92 -0.76 0.98 0.00 0.00 173.24 173.62 2dqa s LEU 34 N -2.42 4.52 -0.06 2.42 1.43 -1.26 -1.22 118.68 122.09 2dqa s LEU 34 Ca -0.01 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.89 2dqa s LEU 34 Cb 0.01 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.70 2dqa s LEU 34 CO -0.07 -0.01 -0.23 -0.94 0.23 0.00 0.00 176.35 175.33 2dqa s SER 35 N -0.23 3.22 -0.02 2.29 1.04 -0.13 -4.32 113.70 115.56 2dqa s SER 35 Ca 0.44 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.47 2dqa s SER 35 Cb -0.23 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 2dqa s SER 35 CO 0.29 0.26 -0.22 0.00 0.98 0.00 0.00 173.24 174.55 2dqa n GLY 37 N 2.57 -1.14 0.30 0.00 0.00 0.78 -1.14 105.19 106.56 2dqa n GLY 37 Ca -0.15 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.73 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 0.39 -0.32 1.61 -1.99 -1.40 -2.15 116.97 113.11 2dqa h TYR 38 Ca 0.00 0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2dqa h TYR 38 Cb 0.00 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.69 2dqa h TYR 38 CO 0.00 -0.14 0.00 1.19 -0.00 0.00 0.00 178.16 179.21 2dqa n PHE 39 N -5.17 0.42 -3.72 4.88 3.01 -1.26 -3.48 117.46 112.14 2dqa n PHE 39 Ca 0.19 -0.49 -0.31 0.00 1.01 0.00 0.00 57.45 57.85 2dqa n PHE 39 Cb 0.61 -0.03 0.04 0.00 -0.01 0.00 0.00 39.48 40.08 2dqa n PHE 39 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2dqa n GLN 40 N 0.44 -1.58 -3.03 -1.08 1.13 -0.81 -4.92 117.38 107.53 2dqa n GLN 40 Ca 0.11 0.45 -0.40 0.00 -1.94 0.00 0.00 57.00 55.21 2dqa n GLN 40 Cb 0.41 -4.17 -0.05 0.00 0.11 0.00 0.00 30.24 26.55 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 -3.53 5.02 0.57 5.09 1.01 -0.29 -4.25 121.20 124.81 2dqa s ILE 41 Ca 0.40 1.46 -0.07 0.00 0.00 0.00 0.00 60.65 62.44 2dqa s ILE 41 Cb -0.15 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 2dqa s ILE 41 CO 0.87 0.21 0.89 -0.54 0.00 0.00 0.00 174.94 176.37 2dqa s LYS 42 N 1.07 3.19 0.12 2.79 1.02 -1.26 -0.82 119.74 125.85 2dqa s LYS 42 Ca 0.37 0.18 -0.19 0.00 0.02 0.00 0.00 55.97 56.34 2dqa s LYS 42 Cb -0.17 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.81 2dqa s LYS 42 CO 0.17 -0.54 1.77 0.37 -0.92 0.00 0.00 175.35 176.19 2dqa h GLN 43 N -0.09 0.30 -0.55 1.68 4.15 -1.98 -2.18 115.11 116.44 2dqa h GLN 43 Ca -0.46 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.97 2dqa h GLN 43 Cb 1.23 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.83 2dqa h GLN 43 CO 0.61 0.21 0.37 -1.35 -1.93 0.00 0.00 178.83 176.74 2dqa h PRO 44 N 0.30 0.65 -0.34 -2.39 0.11 -1.96 -0.83 132.00 127.53 2dqa h PRO 44 Ca 0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 2dqa h PRO 44 Cb -0.02 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 2dqa h PRO 44 CO -0.02 0.43 0.17 -0.92 -0.21 0.00 0.00 178.00 177.45 2dqa h TYR 45 N 0.67 0.48 -0.57 0.65 5.03 -1.89 -0.39 116.97 120.94 2dqa h TYR 45 Ca 0.22 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.45 2dqa h TYR 45 Cb 0.05 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.15 2dqa h TYR 45 CO -0.00 0.40 0.11 2.35 -1.32 0.00 0.00 178.16 179.70 2dqa h TRP 46 N 0.42 0.94 -0.34 -3.82 7.01 -0.76 -0.00 115.95 119.39 2dqa h TRP 46 Ca 0.12 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2dqa h TRP 46 Cb 0.09 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 2dqa h TRP 46 CO -0.02 0.80 0.18 0.82 -2.79 0.00 0.00 178.44 177.43 2dqa h ILE 47 N 0.86 1.15 0.00 2.65 2.04 -0.95 -1.93 117.51 121.33 2dqa h ILE 47 Ca 0.18 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 2dqa h ILE 47 Cb 0.35 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2dqa h ILE 47 CO 0.00 0.15 -0.40 0.44 0.00 0.00 0.00 178.15 178.35 2dqa h ASP 48 N 0.43 0.00 -0.06 1.72 5.19 -0.58 -2.80 116.42 120.32 2dqa h ASP 48 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2dqa h ASP 48 Cb 0.08 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.59 2dqa h ASP 48 CO -0.02 0.40 0.00 0.00 -3.12 0.00 0.00 179.24 176.50 2dqa n GLY 50 N 0.77 0.98 3.84 0.00 0.00 -1.06 -4.59 105.19 105.13 2dqa n GLY 50 Ca 0.10 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.04 -2.52 -2.05 1.61 5.02 -0.73 -4.93 118.16 112.51 2dqa n LYS 51 Ca 0.00 0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 56.38 2dqa n LYS 51 Cb 0.00 -4.34 0.01 0.00 -0.02 0.00 0.00 35.03 30.68 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 -6.33 3.23 1.55 1.97 0.04 -1.26 -4.85 135.00 129.34 2dqa s PRO 52 Ca 0.20 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2dqa s PRO 52 Cb -0.07 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2dqa s PRO 52 CO 0.88 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 177.43 2dqa n GLY 53 N -0.64 -1.59 0.11 0.56 0.00 -1.26 -4.50 105.19 97.87 2dqa n GLY 53 Ca 0.10 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 2dqa n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dqa h LYS 54 N 0.00 0.24 -2.69 1.61 3.64 -1.95 -3.49 116.57 113.93 2dqa h LYS 54 Ca 0.00 -0.19 0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2dqa h LYS 54 Cb 0.00 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 2dqa h LYS 54 CO 0.00 0.83 0.36 0.16 -2.27 0.00 0.00 179.45 178.53 2dqa s ASP 55 N -6.22 -0.18 0.13 4.20 1.47 -1.26 -5.04 116.67 109.76 2dqa s ASP 55 Ca -0.15 -0.59 -0.28 0.00 1.18 0.00 0.00 52.55 52.71 2dqa s ASP 55 Cb 0.03 0.63 -0.05 0.00 -0.34 0.00 0.00 42.92 43.18 2dqa s ASP 55 CO 0.74 -1.18 1.60 -0.25 0.68 0.00 0.00 175.17 176.77 2dqa h TRP 56 N 2.00 -0.97 -0.36 2.11 7.01 -1.94 -1.00 115.95 122.80 2dqa h TRP 56 Ca -0.23 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.65 2dqa h TRP 56 Cb 1.24 0.43 -0.01 0.00 -2.10 0.00 0.00 29.16 28.73 2dqa h TRP 56 CO 0.58 -0.44 -0.38 0.87 -2.79 0.00 0.00 178.44 176.29 2dqa h LYS 57 N -0.49 0.89 -0.51 2.65 1.57 -1.98 -1.10 116.57 117.60 2dqa h LYS 57 Ca 0.07 -0.48 -0.08 0.00 -1.87 0.00 0.00 60.65 58.29 2dqa h LYS 57 Cb 0.59 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2dqa h LYS 57 CO -0.30 1.12 -0.00 0.66 -0.57 0.00 0.00 179.45 180.36 2dqa h SER 58 N 0.70 0.89 -0.37 0.86 4.64 -1.97 -2.71 113.55 115.59 2dqa h SER 58 Ca 0.06 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.10 2dqa h SER 58 Cb 0.97 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 2dqa h SER 58 CO 0.09 0.98 0.18 0.00 -0.87 0.00 0.00 176.83 177.21 2dqa h SER 60 N 0.37 0.25 -0.46 0.00 0.02 -1.02 -1.28 113.55 111.43 2dqa h SER 60 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2dqa h SER 60 Cb 0.07 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2dqa h SER 60 CO -0.11 0.16 0.00 0.59 -1.14 0.00 0.00 176.83 176.33 2dqa n ASN 61 N -4.47 3.09 -4.23 3.07 4.13 -1.04 -1.89 115.26 113.91 2dqa n ASN 61 Ca 0.05 -2.19 -0.33 0.00 1.68 0.00 0.00 54.58 53.80 2dqa n ASN 61 Cb 0.27 -0.42 -0.16 0.00 -1.54 0.00 0.00 39.78 37.93 2dqa n ASN 61 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2dqa s ASP 62 N -0.85 3.42 0.27 6.41 2.15 -0.50 -4.79 116.67 122.77 2dqa s ASP 62 Ca 0.34 -0.52 -0.03 0.00 0.43 0.00 0.00 52.55 52.77 2dqa s ASP 62 Cb 0.20 -1.51 0.39 0.00 -0.30 0.00 0.00 42.92 41.70 2dqa s ASP 62 CO 0.19 0.09 1.91 0.16 -0.17 0.00 0.00 175.17 177.35 2dqa h ILE 63 N 5.72 1.15 0.08 4.11 -0.00 -1.87 -0.39 117.51 126.30 2dqa h ILE 63 Ca -0.31 -0.41 -0.20 0.00 -0.00 0.00 0.00 64.86 63.94 2dqa h ILE 63 Cb 1.20 -0.16 0.02 0.00 -0.00 0.00 0.00 36.82 37.87 2dqa h ILE 63 CO 0.55 0.22 -0.83 -1.13 -0.00 0.00 0.00 178.15 176.97 2dqa h ASN 64 N 1.21 0.59 -0.19 2.16 -1.24 -1.96 -2.71 115.58 113.45 2dqa h ASN 64 Ca 0.39 -0.85 -0.04 0.00 0.71 0.00 0.00 56.30 56.51 2dqa h ASN 64 Cb 0.04 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.90 2dqa h ASN 64 CO -0.13 1.37 -0.05 0.00 -1.29 0.00 0.00 177.43 177.33 2dqa h SER 66 N 0.08 0.76 0.16 0.00 4.64 -0.87 -0.05 113.55 118.27 2dqa h SER 66 Ca 0.05 -0.17 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 2dqa h SER 66 Cb 0.50 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2dqa h SER 66 CO 0.02 0.72 -0.44 0.77 -0.87 0.00 0.00 176.83 177.03 2dqa h SER 67 N 0.75 0.37 -0.79 4.97 4.64 -1.47 -1.81 113.55 120.21 2dqa h SER 67 Ca 0.18 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2dqa h SER 67 Cb 0.20 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 2dqa h SER 67 CO -0.02 0.76 0.49 0.50 -0.87 0.00 0.00 176.83 177.70 2dqa h LYS 68 N 0.29 1.06 -0.17 4.77 3.64 -0.74 -0.23 116.57 125.18 2dqa h LYS 68 Ca 0.02 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2dqa h LYS 68 Cb 0.89 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2dqa h LYS 68 CO 0.07 0.73 0.06 0.00 -2.27 0.00 0.00 179.45 178.04 2dqa h VAL 70 N 0.14 0.92 -0.60 0.00 2.07 -1.00 0.78 116.25 118.55 2dqa h VAL 70 Ca 0.07 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2dqa h VAL 70 Cb 0.05 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 2dqa h VAL 70 CO -0.08 0.03 0.29 1.56 0.02 0.00 0.00 177.57 179.39 2dqa h GLN 71 N 0.15 0.52 -0.06 1.57 1.08 -0.80 -1.96 115.11 115.60 2dqa h GLN 71 Ca 0.10 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 2dqa h GLN 71 Cb 0.08 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2dqa h GLN 71 CO -0.12 0.34 -0.63 1.96 -0.95 0.00 0.00 178.83 179.44 2dqa h GLN 72 N 0.54 0.23 -0.60 1.46 4.20 -0.71 -1.12 115.11 119.10 2dqa h GLN 72 Ca 0.28 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2dqa h GLN 72 Cb 0.23 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2dqa h GLN 72 CO -0.21 0.78 0.34 -0.92 -0.67 0.00 0.00 178.83 178.15 2dqa h TYR 73 N 0.17 0.82 -0.37 2.96 5.03 -0.54 -1.50 116.97 123.53 2dqa h TYR 73 Ca -0.01 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.18 2dqa h TYR 73 Cb 1.14 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 39.15 2dqa h TYR 73 CO 0.02 0.58 -0.19 0.52 -1.32 0.00 0.00 178.16 177.77 2dqa h MET 74 N 0.82 0.79 -0.92 1.82 2.86 -1.18 -0.74 114.93 118.38 2dqa h MET 74 Ca 0.21 -0.35 0.13 0.00 -2.06 0.00 0.00 59.70 57.64 2dqa h MET 74 Cb 0.02 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 2dqa h MET 74 CO -0.04 0.97 0.59 -0.22 1.06 0.00 0.00 176.91 179.28 2dqa h LYS 75 N 0.58 0.76 0.00 1.72 3.64 -1.03 -0.44 116.57 121.80 2dqa h LYS 75 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2dqa h LYS 75 Cb 0.75 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2dqa h LYS 75 CO 0.06 0.50 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.61 2dqa h ARG 76 N 0.78 0.03 0.00 1.90 2.43 -1.00 -3.40 114.38 115.12 2dqa h ARG 76 Ca 0.46 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 59.34 2dqa h ARG 76 Cb 0.64 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 2dqa h ARG 76 CO -0.22 0.83 -1.98 0.66 -1.51 0.00 0.00 179.97 177.75 2dqa n TYR 77 N -4.67 0.00 -0.02 2.20 0.53 -0.31 -3.81 117.16 111.08 2dqa n TYR 77 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 2dqa n TYR 77 Cb 0.41 -0.67 0.31 0.00 -1.03 0.00 0.00 39.34 38.36 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 0.11 1.41 0.52 -0.72 0.00 -1.24 0.39 119.26 119.74 2dqa h ALA 78 Ca -0.39 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 2dqa h ALA 78 Cb 1.64 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.28 2dqa h ALA 78 CO -0.05 0.42 -0.25 1.79 0.00 0.00 0.00 179.25 181.16 2dqa h THR 79 N 0.55 0.14 -0.68 0.00 1.35 -1.77 -1.27 112.91 111.24 2dqa h THR 79 Ca 0.13 -0.49 0.07 0.00 -0.55 0.00 0.00 66.41 65.56 2dqa h THR 79 Cb 0.25 0.22 -0.06 0.00 -1.73 0.00 0.00 68.15 66.83 2dqa h THR 79 CO 0.00 0.03 0.38 -0.74 -0.25 0.00 0.00 175.52 174.93 2dqa h HIS 80 N -1.13 0.69 -0.14 4.73 6.17 -1.61 -1.72 115.15 122.15 2dqa h HIS 80 Ca -0.07 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.03 2dqa h HIS 80 Cb 0.58 -0.21 0.00 0.00 2.52 0.00 0.00 27.41 30.31 2dqa h HIS 80 CO 0.01 0.32 0.00 0.66 0.71 0.00 0.00 177.93 179.62 2dqa n TYR 81 N -4.79 0.18 -3.52 5.26 4.02 0.11 -4.92 117.16 113.49 2dqa n TYR 81 Ca 0.09 -0.09 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 2dqa n TYR 81 Cb 0.19 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.59 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 -0.05 -7.44 -1.96 -0.72 1.74 -0.65 -4.99 116.66 102.60 2dqa n ARG 82 Ca 0.12 0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 57.66 2dqa n ARG 82 Cb 0.21 -5.72 0.02 0.00 -1.02 0.00 0.00 32.46 25.95 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 -3.97 4.18 -1.27 0.00 0.02 -1.26 -4.87 135.00 127.83 2dqa s PRO 84 Ca 0.66 2.47 -0.09 0.00 0.02 0.00 0.00 61.00 64.06 2dqa s PRO 84 Cb -0.19 -3.11 0.17 0.00 0.02 0.00 0.00 34.50 31.40 2dqa s PRO 84 CO 0.37 -0.65 1.83 1.28 -0.33 0.00 0.00 177.00 179.50 2dqa n LEU 85 N 3.73 6.55 -4.14 -5.54 4.77 -1.26 -4.04 117.00 117.07 2dqa n LEU 85 Ca 0.14 -4.66 -0.14 0.00 -0.03 0.00 0.00 56.01 51.32 2dqa n LEU 85 Cb 0.37 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 2dqa n LEU 85 CO 0.62 1.35 0.02 0.54 -1.33 0.00 0.00 177.39 178.60 2dqa s ASN 86 N 0.88 0.79 0.22 -1.43 2.20 -1.26 -5.02 114.94 111.32 2dqa s ASN 86 Ca 0.39 -1.45 -0.08 0.00 -0.94 0.00 0.00 52.86 50.79 2dqa s ASN 86 Cb 0.09 0.58 0.29 0.00 -2.00 0.00 0.00 41.25 40.20 2dqa s ASN 86 CO 0.01 -1.14 1.80 0.00 -2.94 0.00 0.00 177.10 174.83 2dqa h GLU 88 N 0.70 0.17 -0.10 0.00 4.81 -1.92 0.32 114.58 118.55 2dqa h GLU 88 Ca 0.33 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2dqa h GLU 88 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2dqa h GLU 88 CO -0.21 0.11 0.06 0.78 -0.73 0.00 0.00 179.01 179.02 2dqa h GLY 89 N 0.17 0.14 0.95 1.92 0.00 -1.34 -1.57 103.07 103.35 2dqa h GLY 89 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2dqa h GLY 89 CO -0.29 0.04 0.05 0.74 0.00 0.00 0.00 176.54 177.09 2dqa h PHE 90 N 0.13 0.75 -0.76 5.60 0.05 -0.67 -1.16 116.94 120.88 2dqa h PHE 90 Ca 0.04 -0.11 0.04 0.00 3.82 0.00 0.00 57.97 61.76 2dqa h PHE 90 Cb -0.01 -0.20 -0.05 0.00 2.00 0.00 0.00 35.95 37.69 2dqa h PHE 90 CO -0.08 0.73 0.47 0.00 -0.18 0.00 0.00 178.31 179.26 2dqa h ALA 91 N 0.92 1.01 -0.20 2.45 0.00 -0.30 0.30 119.26 123.44 2dqa h ALA 91 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2dqa h ALA 91 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2dqa h ALA 91 CO 0.01 0.25 -0.41 0.00 0.00 0.00 0.00 179.25 179.10 2dqa h ARG 92 N 0.91 0.46 -0.27 0.00 3.08 -1.06 -1.29 114.38 116.21 2dqa h ARG 92 Ca 0.31 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2dqa h ARG 92 Cb 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2dqa h ARG 92 CO -0.13 0.79 0.10 0.93 -1.07 0.00 0.00 179.97 180.59 2dqa h GLU 93 N 0.38 0.41 -0.40 0.04 4.39 -0.84 0.12 114.58 118.68 2dqa h GLU 93 Ca 0.03 -0.08 0.04 0.00 0.34 0.00 0.00 59.36 59.69 2dqa h GLU 93 Cb 0.88 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 2dqa h GLU 93 CO 0.07 0.46 0.18 1.25 -1.16 0.00 0.00 179.01 179.81 2dqa h HIS 94 N 0.28 0.33 0.04 4.33 2.76 -0.62 0.16 115.15 122.42 2dqa h HIS 94 Ca 0.09 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.04 2dqa h HIS 94 Cb 0.21 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2dqa h HIS 94 CO -0.00 0.16 -1.02 -0.97 -1.30 0.00 0.00 177.93 174.80 2dqa h ASN 95 N 0.37 0.45 -0.01 3.26 -1.24 -1.23 -3.37 115.58 113.81 2dqa h ASN 95 Ca 0.18 -0.40 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2dqa h ASN 95 Cb 0.11 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.02 2dqa h ASN 95 CO -0.14 1.22 -0.53 0.61 -1.29 0.00 0.00 177.43 177.30 2dqa n GLY 96 N 1.10 -0.24 2.08 1.57 0.00 0.40 -5.07 105.19 105.03 2dqa n GLY 96 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.26 -1.80 0.41 -0.02 0.00 0.54 -4.02 105.19 101.56 2dqa n GLY 97 Ca 0.05 -1.85 0.21 0.00 0.00 0.00 0.00 46.02 44.43 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 0.28 0.00 1.61 0.11 -1.95 -0.15 132.00 131.89 2dqa h PRO 98 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2dqa h PRO 98 Cb 0.00 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 2dqa h PRO 98 CO 0.00 0.18 -0.50 -1.71 -0.21 0.00 0.00 178.00 175.77 2dqa n ASN 99 N -4.45 1.70 0.22 -2.05 5.15 -1.26 -4.62 115.26 109.96 2dqa n ASN 99 Ca 0.18 -3.76 0.10 0.00 -0.60 0.00 0.00 54.58 50.50 2dqa n ASN 99 Cb 0.73 -0.51 0.66 0.00 -0.53 0.00 0.00 39.78 40.13 2dqa n ASN 99 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2dqa h GLY 100 N 0.94 0.00 2.00 8.20 0.00 -1.15 -1.75 103.07 111.31 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2dqa n HIS 102 N -2.60 0.75 -3.90 0.00 8.25 -0.66 -4.92 115.22 112.15 2dqa n HIS 102 Ca 0.00 -0.71 -0.36 0.00 -0.26 0.00 0.00 57.72 56.39 2dqa n HIS 102 Cb 0.17 -0.19 -0.12 0.00 1.12 0.00 0.00 29.99 30.97 2dqa n HIS 102 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dqa s SER 103 N -1.52 5.09 0.55 0.41 0.15 -0.78 -4.99 113.70 112.61 2dqa s SER 103 Ca 0.34 -0.17 0.26 0.00 0.70 0.00 0.00 55.95 57.08 2dqa s SER 103 Cb 0.25 -1.89 1.58 0.00 -1.71 0.00 0.00 66.02 64.25 2dqa s SER 103 CO 0.12 0.03 2.17 0.77 1.20 0.00 0.00 173.24 177.53 2dqa h SER 104 N 7.78 0.00 -0.73 5.45 4.64 -1.91 -2.54 113.55 126.24 2dqa h SER 104 Ca -0.37 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.00 2dqa h SER 104 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 2dqa h SER 104 CO 0.60 0.05 0.48 0.03 -0.87 0.00 0.00 176.83 177.12 2dqa h ARG 105 N 0.00 0.80 0.00 4.77 3.08 -1.94 -2.32 114.38 118.77 2dqa h ARG 105 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2dqa h ARG 105 Cb 0.12 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2dqa h ARG 105 CO 0.01 0.53 0.00 0.25 -1.07 0.00 0.00 179.97 179.68 2dqa n THR 106 N -4.47 0.69 0.23 2.04 -2.24 -0.95 -2.98 114.28 106.60 2dqa n THR 106 Ca 0.10 0.17 0.07 0.00 -2.27 0.00 0.00 64.05 62.12 2dqa n THR 106 Cb 0.18 -0.87 0.57 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.00 0.01 -1.23 3.22 3.38 -1.58 -2.02 115.31 117.10 2dqa h LEU 107 Ca 0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2dqa h LEU 107 Cb 0.27 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2dqa h LEU 107 CO 0.00 0.10 -0.08 0.11 0.09 0.00 0.00 178.44 178.66 2dqa h LYS 108 N 0.02 0.44 -0.27 1.13 1.79 -1.75 0.14 116.57 118.06 2dqa h LYS 108 Ca 0.00 -0.11 -0.07 0.00 -2.18 0.00 0.00 60.65 58.29 2dqa h LYS 108 Cb 0.16 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2dqa h LYS 108 CO 0.01 0.53 -0.12 -0.92 -1.08 0.00 0.00 179.45 177.87 2dqa h TYR 109 N 0.42 0.64 -0.69 -1.35 5.03 -1.59 -1.73 116.97 117.70 2dqa h TYR 109 Ca 0.08 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.19 2dqa h TYR 109 Cb 0.40 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 2dqa h TYR 109 CO 0.01 0.80 0.25 2.35 -1.32 0.00 0.00 178.16 180.24 2dqa h TRP 110 N 0.30 1.05 -0.45 -3.82 -0.00 -1.14 -0.01 115.95 111.88 2dqa h TRP 110 Ca 0.06 -0.08 0.01 0.00 -0.00 0.00 0.00 58.89 58.88 2dqa h TRP 110 Cb 0.62 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 29.44 2dqa h TRP 110 CO 0.06 0.82 0.28 1.49 -0.00 0.00 0.00 178.44 181.09 2dqa h GLU 111 N 1.00 0.55 -0.46 2.65 4.81 -0.91 -2.74 114.58 119.49 2dqa h GLU 111 Ca 0.23 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 2dqa h GLU 111 Cb 0.24 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2dqa h GLU 111 CO -0.01 0.36 -0.18 1.25 -0.73 0.00 0.00 179.01 179.69 2dqa h LEU 112 N 0.56 0.95 -1.03 1.64 5.85 -0.89 -3.01 115.31 119.39 2dqa h LEU 112 Ca 0.17 -0.39 0.09 0.00 0.84 0.00 0.00 57.88 58.59 2dqa h LEU 112 Cb -0.02 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.68 2dqa h LEU 112 CO -0.07 1.13 0.64 0.25 -0.34 0.00 0.00 178.44 180.05 2dqa h LEU 113 N 0.77 0.98 0.00 2.25 5.85 -0.89 -1.56 115.31 122.71 2dqa h LEU 113 Ca 0.11 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2dqa h LEU 113 Cb 0.75 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2dqa h LEU 113 CO 0.06 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 2dqa n GLN 114 N -4.54 0.11 0.21 1.25 6.02 -1.04 -2.29 117.38 117.09 2dqa n GLN 114 Ca 0.17 0.11 0.11 0.00 -0.01 0.00 0.00 57.00 57.37 2dqa n GLN 114 Cb 0.26 -1.50 0.23 0.00 1.02 0.00 0.00 30.24 30.24 2dqa n GLN 114 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2dqa h LYS 115 N 0.00 0.00 -6.49 -1.09 1.57 -1.30 -3.26 116.57 106.00 2dqa h LYS 115 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2dqa h LYS 115 Cb 0.32 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.65 2dqa h LYS 115 CO 0.00 0.12 0.94 0.42 -0.57 0.00 0.00 179.45 180.36 2dqa s ILE 116 N -3.25 2.99 0.07 1.86 -1.09 -0.97 -4.89 121.20 115.92 2dqa s ILE 116 Ca 0.05 0.54 -0.36 0.00 -2.23 0.00 0.00 60.65 58.65 2dqa s ILE 116 Cb 0.06 -3.35 -0.16 0.00 -1.58 0.00 0.00 42.46 37.44 2dqa s ILE 116 CO 0.67 0.01 1.46 -2.65 -1.23 0.00 0.00 174.94 173.20 2dqa n PRO 117 N 5.09 1.47 -0.61 2.79 -0.02 -1.26 -1.13 135.00 141.33 2dqa n PRO 117 Ca 0.15 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2dqa n PRO 117 Cb 0.40 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.97 0.83 0.56 -1.23 0.00 -1.26 -4.92 105.19 102.14 2dqa n GLY 118 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2dqa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dqa n LYS 120 N 0.62 2.55 -2.08 0.00 3.00 -1.23 -2.29 118.16 118.73 2dqa n LYS 120 Ca 0.09 0.92 -0.15 0.00 -0.00 0.00 0.00 58.31 59.16 2dqa n LYS 120 Cb 0.38 -2.92 -0.02 0.00 0.00 0.00 0.00 35.03 32.46 2dqa n LYS 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dqa n GLY 121 N 4.68 0.19 3.77 3.14 0.00 -1.26 -4.97 105.19 110.74 2dqa n GLY 121 Ca 0.22 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.71 2.19 -1.71 1.61 0.11 -0.97 -5.11 120.40 113.81 2dqa s VAL 122 Ca 0.00 0.18 0.14 0.00 -2.93 0.00 0.00 61.98 59.37 2dqa s VAL 122 Cb 0.00 -3.11 0.11 0.00 -1.53 0.00 0.00 36.38 31.85 2dqa s VAL 122 CO 0.00 0.04 0.93 0.29 -3.33 0.00 0.00 175.10 173.03