#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dun s SER 2 N 0.00 6.55 0.08 1.61 0.01 -1.26 -4.96 113.70 115.73 2dun s SER 2 Ca 0.00 -1.91 0.04 0.00 1.31 0.00 0.00 55.95 55.40 2dun s SER 2 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2dun s SER 2 CO 0.00 -1.46 -0.00 -0.55 0.41 0.00 0.00 173.24 171.64 2dun s SER 3 N 4.80 5.01 0.00 2.44 0.15 -1.26 -5.10 113.70 119.74 2dun s SER 3 Ca 0.52 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2dun s SER 3 Cb 0.02 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 2dun s SER 3 CO -0.00 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dun n GLY 4 N 0.67 0.80 3.42 9.45 0.00 -1.26 -5.13 105.19 113.15 2dun n GLY 4 Ca -0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2dun n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dun s SER 5 N -1.00 -0.56 -0.19 1.61 0.15 -1.26 -5.15 113.70 107.30 2dun s SER 5 Ca 0.00 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dun s SER 5 Cb 0.00 0.59 0.05 0.00 -1.71 0.00 0.00 66.02 64.94 2dun s SER 5 CO 0.00 -0.93 -0.07 -0.55 1.20 0.00 0.00 173.24 172.89 2dun s SER 6 N -2.62 3.22 0.00 5.45 0.15 -1.26 -4.80 113.70 113.84 2dun s SER 6 Ca 0.00 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dun s SER 6 Cb -0.01 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2dun s SER 6 CO -0.11 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2dun n GLY 7 N 4.77 3.21 3.77 9.45 0.00 -1.26 -5.06 105.19 120.08 2dun n GLY 7 Ca -0.13 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2dun n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dun s SER 8 N 0.00 6.54 0.41 1.61 0.15 -1.26 -5.01 113.70 116.14 2dun s SER 8 Ca 0.00 2.23 -0.23 0.00 0.70 0.00 0.00 55.95 58.66 2dun s SER 8 Cb 0.00 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 2dun s SER 8 CO 0.00 -0.65 0.99 0.28 1.20 0.00 0.00 173.24 175.06 2dun s THR 9 N -1.52 4.06 0.40 6.45 -1.32 -1.26 -4.92 115.64 117.53 2dun s THR 9 Ca 0.58 1.44 0.21 0.00 -1.21 0.00 0.00 61.69 62.71 2dun s THR 9 Cb -0.27 -3.67 0.41 0.00 -1.51 0.00 0.00 72.50 67.45 2dun s THR 9 CO 0.34 -0.13 1.70 0.03 -2.21 0.00 0.00 174.62 174.35 2dun h ARG 10 N 2.23 0.28 -3.05 7.08 3.08 -1.90 -3.06 114.38 119.05 2dun h ARG 10 Ca -0.48 -0.02 -0.62 0.00 0.07 0.00 0.00 59.98 58.93 2dun h ARG 10 Cb 1.20 -0.06 -0.41 0.00 0.08 0.00 0.00 29.97 30.78 2dun h ARG 10 CO 0.62 0.19 -0.67 -0.06 -1.07 0.00 0.00 179.97 178.97 2dun s PHE 11 N -5.47 2.80 -2.00 3.04 0.08 -1.24 -4.93 117.98 110.25 2dun s PHE 11 Ca -0.09 -2.96 0.11 0.00 0.12 0.00 0.00 56.93 54.11 2dun s PHE 11 Cb 0.28 -2.32 0.65 0.00 -0.57 0.00 0.00 43.02 41.05 2dun s PHE 11 CO 0.80 -0.68 1.08 -0.35 -0.10 0.00 0.00 175.22 175.97 2dun n PRO 12 N 2.73 0.49 -0.32 0.24 -0.04 -1.16 -2.25 135.00 134.69 2dun n PRO 12 Ca 0.15 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.68 2dun n PRO 12 Cb 0.36 -1.35 0.21 0.00 -0.04 0.00 0.00 33.50 32.68 2dun n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dun n GLY 13 N -0.02 3.26 2.92 0.55 0.00 -1.26 -4.96 105.19 105.68 2dun n GLY 13 Ca 0.08 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 2dun n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dun s VAL 14 N -1.78 0.48 -0.18 1.61 1.01 -0.95 -5.10 120.40 115.49 2dun s VAL 14 Ca 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2dun s VAL 14 Cb 0.22 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 36.20 2dun s VAL 14 CO 0.14 0.18 0.05 0.00 0.00 0.00 0.00 175.10 175.46 2dun s ALA 15 N 0.45 0.86 -0.07 5.51 0.00 -1.26 -4.31 121.76 122.93 2dun s ALA 15 Ca -0.05 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 2dun s ALA 15 Cb -0.09 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 2dun s ALA 15 CO -0.00 -1.15 0.17 0.42 0.00 0.00 0.00 175.76 175.20 2dun s ILE 16 N 1.93 5.45 -0.10 0.00 1.01 -1.18 -1.00 121.20 127.31 2dun s ILE 16 Ca -0.00 0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.80 2dun s ILE 16 Cb -0.17 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2dun s ILE 16 CO -0.08 0.51 -0.22 -0.47 0.00 0.00 0.00 174.94 174.68 2dun s TYR 17 N -1.14 2.45 -0.23 3.97 6.14 -0.52 -3.39 117.35 124.64 2dun s TYR 17 Ca 0.20 -1.04 -0.12 0.00 0.64 0.00 0.00 57.07 56.76 2dun s TYR 17 Cb -0.12 -1.65 -0.05 0.00 0.42 0.00 0.00 41.96 40.55 2dun s TYR 17 CO 0.10 -0.43 0.21 -0.51 0.64 0.00 0.00 175.55 175.55 2dun s LEU 18 N 0.45 4.13 1.15 6.97 1.43 -1.26 -2.85 118.68 128.70 2dun s LEU 18 Ca -0.17 0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 2dun s LEU 18 Cb -0.17 -2.19 0.26 0.00 0.03 0.00 0.00 46.19 44.12 2dun s LEU 18 CO 0.07 0.05 0.94 0.52 0.23 0.00 0.00 176.35 178.15 2dun n VAL 19 N 4.23 0.00 0.00 -1.59 0.31 -1.26 -5.02 118.33 115.00 2dun n VAL 19 Ca -0.14 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2dun n VAL 19 Cb 0.52 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 2dun n VAL 19 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dun n GLU 20 N -4.63 0.00 0.07 5.55 1.02 -1.26 -4.53 120.64 116.86 2dun n GLU 20 Ca 0.04 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2dun n GLU 20 Cb 0.54 -0.56 -0.08 0.00 -0.02 0.00 0.00 31.44 31.32 2dun n GLU 20 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dun h PRO 21 N 0.00 -0.22 -1.80 3.49 0.13 -1.96 0.45 132.00 132.09 2dun h PRO 21 Ca 0.00 0.01 0.53 0.00 -0.87 0.00 0.00 66.00 65.67 2dun h PRO 21 Cb 0.00 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.10 2dun h PRO 21 CO 0.00 0.18 1.29 0.54 -0.23 0.00 0.00 178.00 179.78 2dun n ARG 22 N -4.98 -0.00 0.00 0.86 5.12 -1.26 -3.17 116.66 113.23 2dun n ARG 22 Ca -0.09 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.86 2dun n ARG 22 Cb 0.26 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 29.23 2dun n ARG 22 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2dun n MET 23 N -3.86 0.00 -1.39 5.56 2.81 -1.19 -4.56 117.12 114.49 2dun n MET 23 Ca 0.41 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 2dun n MET 23 Cb 1.85 -0.14 0.00 0.00 -0.71 0.00 0.00 33.22 34.22 2dun n MET 23 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dun n GLY 24 N 2.89 0.10 0.06 3.03 0.00 0.16 -4.84 105.19 106.58 2dun n GLY 24 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 2dun n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dun h ARG 25 N 5.04 -0.03 0.38 1.61 3.08 -1.94 -3.28 114.38 119.24 2dun h ARG 25 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2dun h ARG 25 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2dun h ARG 25 CO 0.00 0.05 -0.18 1.03 -1.07 0.00 0.00 179.97 179.79 2dun h SER 26 N -1.01 -0.43 -1.66 7.04 0.87 -1.97 -3.07 113.55 113.32 2dun h SER 26 Ca -0.00 0.01 0.50 0.00 -1.23 0.00 0.00 61.79 61.07 2dun h SER 26 Cb 0.09 0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 62.08 2dun h SER 26 CO 0.01 -0.15 1.17 -1.14 -0.53 0.00 0.00 176.83 176.19 2dun n ARG 27 N -4.26 -0.01 0.24 2.24 0.63 -1.26 0.11 116.66 114.35 2dun n ARG 27 Ca -0.06 1.00 -0.10 0.00 -0.92 0.00 0.00 57.85 57.77 2dun n ARG 27 Cb 0.20 -2.24 -0.05 0.00 0.45 0.00 0.00 32.46 30.83 2dun n ARG 27 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2dun h ARG 28 N 0.00 -0.63 -0.70 -0.14 2.43 -1.60 -3.25 114.38 110.48 2dun h ARG 28 Ca 0.83 0.04 0.14 0.00 -0.81 0.00 0.00 59.98 60.19 2dun h ARG 28 Cb 3.21 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 32.77 2dun h ARG 28 CO -0.10 -0.42 -0.17 0.00 -1.51 0.00 0.00 179.97 177.76 2dun h ALA 29 N -1.26 0.46 -0.90 2.80 0.00 -0.24 0.23 119.26 120.36 2dun h ALA 29 Ca -0.07 0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2dun h ALA 29 Cb 0.50 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 2dun h ALA 29 CO 0.11 -0.42 -0.49 0.35 0.00 0.00 0.00 179.25 178.80 2dun h PHE 30 N -0.00 -1.50 0.07 0.00 3.57 -1.50 0.09 116.94 117.67 2dun h PHE 30 Ca 0.33 0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 2dun h PHE 30 Cb 0.51 0.78 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2dun h PHE 30 CO -0.56 -0.40 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.02 2dun h LEU 31 N -0.06 -0.08 -0.88 0.59 3.38 -1.27 -2.20 115.31 114.79 2dun h LEU 31 Ca 0.22 -0.47 0.19 0.00 0.09 0.00 0.00 57.88 57.91 2dun h LEU 31 Cb 0.51 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.11 2dun h LEU 31 CO -0.90 0.46 -0.19 0.41 0.09 0.00 0.00 178.44 178.32 2dun n THR 32 N -4.87 -0.37 -0.03 0.22 -1.04 0.69 -0.22 114.28 108.65 2dun n THR 32 Ca -0.08 2.01 -0.14 0.00 -2.04 0.00 0.00 64.05 63.79 2dun n THR 32 Cb 0.28 -2.81 -0.11 0.00 -1.82 0.00 0.00 70.33 65.86 2dun n THR 32 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2dun h GLY 33 N 0.00 0.12 -0.09 3.41 0.00 -1.06 -3.10 103.07 102.35 2dun h GLY 33 Ca 0.44 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.63 2dun h GLY 33 CO -0.90 0.18 -0.37 -2.00 0.00 0.00 0.00 176.54 173.44 2dun h LEU 34 N -0.61 -1.20 0.17 3.11 5.85 -0.21 -0.66 115.31 121.76 2dun h LEU 34 Ca -0.02 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2dun h LEU 34 Cb 0.91 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 42.43 2dun h LEU 34 CO 0.03 -0.37 -0.38 0.00 -0.34 0.00 0.00 178.44 177.38 2dun h ALA 35 N 0.45 -0.93 -1.17 1.25 0.00 -0.73 -0.60 119.26 117.53 2dun h ALA 35 Ca 0.12 -0.10 0.36 0.00 0.00 0.00 0.00 54.91 55.29 2dun h ALA 35 Cb 0.57 0.73 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 2dun h ALA 35 CO -0.47 -1.01 0.75 0.00 0.00 0.00 0.00 179.25 178.52 2dun h ARG 36 N -0.61 0.22 -0.30 0.00 3.08 -1.16 0.89 114.38 116.50 2dun h ARG 36 Ca -0.02 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 2dun h ARG 36 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2dun h ARG 36 CO -0.16 0.14 -0.41 1.03 -1.07 0.00 0.00 179.97 179.50 2dun h SER 37 N 0.23 0.77 0.34 7.04 0.87 0.04 -3.31 113.55 119.53 2dun h SER 37 Ca 0.72 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 2dun h SER 37 Cb 2.06 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.81 2dun h SER 37 CO -0.39 1.08 -0.16 0.11 -0.53 0.00 0.00 176.83 176.94 2dun h LYS 38 N 0.59 -0.43 0.00 2.24 1.79 0.22 -3.48 116.57 117.50 2dun h LYS 38 Ca 0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2dun h LYS 38 Cb 0.95 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2dun h LYS 38 CO 0.09 -0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.72 2dun n GLY 39 N 0.31 0.00 2.90 3.86 0.00 0.07 -4.86 105.19 107.47 2dun n GLY 39 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 2dun n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dun s PHE 40 N 0.00 1.54 0.32 1.61 0.40 -1.04 -3.70 117.98 117.11 2dun s PHE 40 Ca 0.00 -0.86 -0.29 0.00 -0.60 0.00 0.00 56.93 55.19 2dun s PHE 40 Cb 0.00 -1.25 -0.10 0.00 0.51 0.00 0.00 43.02 42.17 2dun s PHE 40 CO 0.00 -0.55 1.32 -0.98 0.70 0.00 0.00 175.22 175.71 2dun s ARG 41 N 1.69 4.35 -0.23 0.44 1.70 -1.26 -2.41 118.95 123.22 2dun s ARG 41 Ca 0.03 2.22 -0.05 0.00 -0.47 0.00 0.00 55.73 57.47 2dun s ARG 41 Cb -0.14 -3.08 -0.01 0.00 -0.57 0.00 0.00 34.95 31.16 2dun s ARG 41 CO -0.08 -0.21 -0.01 0.08 -1.08 0.00 0.00 175.30 174.00 2dun s VAL 42 N -1.04 3.54 0.20 4.99 1.01 -1.26 -3.10 120.40 124.75 2dun s VAL 42 Ca 0.50 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2dun s VAL 42 Cb -0.40 -2.66 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 2dun s VAL 42 CO 0.52 0.36 1.02 -0.76 0.00 0.00 0.00 175.10 176.24 2dun s LEU 43 N 1.49 4.56 -0.09 3.92 1.43 -1.22 -4.98 118.68 123.79 2dun s LEU 43 Ca 0.05 2.01 -0.27 0.00 -1.03 0.00 0.00 54.13 54.89 2dun s LEU 43 Cb -0.15 -3.61 -0.23 0.00 0.03 0.00 0.00 46.19 42.23 2dun s LEU 43 CO -0.02 -0.04 0.97 -0.78 0.23 0.00 0.00 176.35 176.70 2dun h ASP 44 N 4.66 -0.01 -2.38 2.29 3.58 -1.98 -3.44 116.42 119.14 2dun h ASP 44 Ca -0.45 -0.77 -0.56 0.00 0.42 0.00 0.00 57.03 55.68 2dun h ASP 44 Cb 1.21 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.13 2dun h ASP 44 CO 0.70 0.77 -0.60 0.00 -2.88 0.00 0.00 179.24 177.23 2dun s ALA 45 N -3.08 2.84 -0.11 -0.78 0.00 -1.26 -5.07 121.76 114.29 2dun s ALA 45 Ca -0.17 -2.05 -0.29 0.00 0.00 0.00 0.00 51.96 49.44 2dun s ALA 45 Cb -0.01 0.41 -0.07 0.00 0.00 0.00 0.00 23.12 23.45 2dun s ALA 45 CO 0.67 -0.21 2.11 0.00 0.00 0.00 0.00 175.76 178.33 2dun s SER 47 N 6.54 1.11 0.49 0.00 1.04 -1.26 -5.02 113.70 116.60 2dun s SER 47 Ca 0.96 -0.62 0.27 0.00 0.48 0.00 0.00 55.95 57.03 2dun s SER 47 Cb -0.40 0.02 1.33 0.00 0.10 0.00 0.00 66.02 67.07 2dun s SER 47 CO 0.39 -0.20 1.86 0.77 0.98 0.00 0.00 173.24 177.04 2dun h SER 48 N 4.25 0.17 -0.86 7.02 4.64 -1.97 0.18 113.55 126.97 2dun h SER 48 Ca -0.37 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.15 2dun h SER 48 Cb 1.20 -0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 2dun h SER 48 CO 0.43 0.05 0.41 -0.33 -0.87 0.00 0.00 176.83 176.53 2dun h GLU 49 N 0.16 0.50 -3.74 4.77 4.39 -1.96 -3.41 114.58 115.28 2dun h GLU 49 Ca 0.47 -0.03 -0.41 0.00 0.34 0.00 0.00 59.36 59.73 2dun h GLU 49 Cb 1.57 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.06 2dun h GLU 49 CO -0.09 0.33 1.13 0.00 -1.16 0.00 0.00 179.01 179.22 2dun n ALA 50 N -2.46 0.19 -0.09 3.43 0.00 0.05 -4.61 120.51 117.01 2dun n ALA 50 Ca 0.19 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.44 2dun n ALA 50 Cb 0.53 -1.55 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 2dun n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dun n THR 51 N 5.03 1.16 -3.98 0.00 -2.24 -0.17 -4.45 114.28 109.62 2dun n THR 51 Ca 0.44 -0.63 -0.18 0.00 -2.27 0.00 0.00 64.05 61.41 2dun n THR 51 Cb 0.01 -0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 67.30 2dun n THR 51 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2dun s HIS 52 N -2.41 0.41 0.13 4.78 3.76 -1.00 -2.39 115.29 118.56 2dun s HIS 52 Ca -0.14 -0.05 0.06 0.00 -0.15 0.00 0.00 55.06 54.78 2dun s HIS 52 Cb 0.06 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 2dun s HIS 52 CO 0.62 -0.14 0.03 0.08 -0.85 0.00 0.00 174.74 174.47 2dun s VAL 53 N 0.99 4.02 -0.02 -0.90 1.01 0.77 -1.44 120.40 124.84 2dun s VAL 53 Ca -0.10 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.82 2dun s VAL 53 Cb -0.14 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 2dun s VAL 53 CO -0.01 0.01 -0.23 -0.69 0.00 0.00 0.00 175.10 174.18 2dun s VAL 54 N -1.51 1.85 -0.12 2.92 1.01 -1.13 -0.70 120.40 122.71 2dun s VAL 54 Ca 0.27 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2dun s VAL 54 Cb -0.11 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.80 2dun s VAL 54 CO 0.19 0.52 0.21 -0.04 0.00 0.00 0.00 175.10 175.98 2dun s MET 55 N -0.53 0.10 -0.00 2.72 -1.94 -1.00 -4.04 119.30 114.61 2dun s MET 55 Ca 0.08 0.57 -0.08 0.00 -1.71 0.00 0.00 55.69 54.55 2dun s MET 55 Cb -0.09 -0.35 -0.05 0.00 2.01 0.00 0.00 34.83 36.35 2dun s MET 55 CO -0.01 -0.36 0.29 -2.00 -0.01 0.00 0.00 175.02 172.93 2dun s GLU 56 N 2.34 3.64 -1.41 2.03 2.12 -1.26 -2.36 118.70 123.80 2dun s GLU 56 Ca 0.03 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.34 2dun s GLU 56 Cb -0.13 -3.10 0.03 0.00 0.26 0.00 0.00 34.13 31.19 2dun s GLU 56 CO -0.08 0.66 0.74 0.39 -0.54 0.00 0.00 175.26 176.43 2dun n GLU 57 N 1.31 -4.72 -4.20 4.30 1.02 -1.26 -4.82 120.64 112.27 2dun n GLU 57 Ca -0.12 0.56 -0.19 0.00 -0.02 0.00 0.00 57.16 57.39 2dun n GLU 57 Cb 0.53 -5.15 -0.12 0.00 -0.02 0.00 0.00 31.44 26.68 2dun n GLU 57 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2dun s THR 58 N -3.59 1.25 0.42 2.62 2.01 -1.26 -5.13 115.64 111.95 2dun s THR 58 Ca 0.24 -1.40 -0.06 0.00 0.31 0.00 0.00 61.69 60.78 2dun s THR 58 Cb -0.12 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2dun s THR 58 CO 0.84 -0.22 0.71 -0.55 -0.69 0.00 0.00 174.62 174.71 2dun s SER 59 N -1.85 6.35 0.17 3.53 0.15 -1.26 -4.96 113.70 115.83 2dun s SER 59 Ca 0.01 0.87 -0.14 0.00 0.70 0.00 0.00 55.95 57.39 2dun s SER 59 Cb -0.09 -2.22 0.10 0.00 -1.71 0.00 0.00 66.02 62.10 2dun s SER 59 CO 0.03 -0.44 1.80 0.00 1.20 0.00 0.00 173.24 175.83 2dun h ALA 60 N 0.76 0.62 -0.39 5.45 0.00 -1.90 -1.95 119.26 121.86 2dun h ALA 60 Ca -0.47 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2dun h ALA 60 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dun h ALA 60 CO 0.63 -0.05 -0.27 1.05 0.00 0.00 0.00 179.25 180.61 2dun h GLU 61 N 0.54 0.86 -0.33 0.00 4.11 -1.88 -3.17 114.58 114.71 2dun h GLU 61 Ca 0.20 -0.41 0.07 0.00 0.07 0.00 0.00 59.36 59.29 2dun h GLU 61 Cb 0.06 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2dun h GLU 61 CO -0.12 1.05 -0.08 1.49 0.07 0.00 0.00 179.01 181.42 2dun h GLU 62 N 0.67 -0.00 -0.17 1.06 4.57 -1.86 -2.42 114.58 116.42 2dun h GLU 62 Ca 0.08 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 2dun h GLU 62 Cb 0.84 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.37 2dun h GLU 62 CO 0.07 -0.00 -0.30 0.00 -1.18 0.00 0.00 179.01 177.60 2dun h ALA 63 N 1.32 -0.29 -1.03 2.92 0.00 -1.35 -0.52 119.26 120.31 2dun h ALA 63 Ca 0.16 0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.37 2dun h ALA 63 Cb 0.24 0.58 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 2dun h ALA 63 CO -0.34 -0.76 0.64 0.28 0.00 0.00 0.00 179.25 179.07 2dun h VAL 64 N -0.35 0.52 -0.16 0.00 2.07 -1.42 0.52 116.25 117.43 2dun h VAL 64 Ca 0.11 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2dun h VAL 64 Cb 0.52 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2dun h VAL 64 CO -0.37 0.09 0.03 -1.28 0.02 0.00 0.00 177.57 176.06 2dun h SER 65 N 0.48 0.24 0.33 0.57 0.87 -0.74 -0.24 113.55 115.07 2dun h SER 65 Ca 0.62 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.92 2dun h SER 65 Cb 1.39 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2dun h SER 65 CO -0.38 0.43 -0.05 -0.25 -0.53 0.00 0.00 176.83 176.05 2dun h TRP 66 N 0.05 0.00 0.00 2.24 7.01 -0.30 -3.02 115.95 121.92 2dun h TRP 66 Ca 0.05 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2dun h TRP 66 Cb 0.29 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.34 2dun h TRP 66 CO 0.01 0.05 -0.23 0.37 -2.79 0.00 0.00 178.44 175.85 2dun h GLN 67 N 0.00 0.00 -0.97 2.65 5.75 -0.76 -3.36 115.11 118.42 2dun h GLN 67 Ca -0.00 0.00 0.30 0.00 -0.15 0.00 0.00 58.65 58.79 2dun h GLN 67 Cb 0.22 0.00 -0.18 0.00 1.07 0.00 0.00 27.48 28.60 2dun h GLN 67 CO 0.01 0.58 0.16 0.93 -2.65 0.00 0.00 178.83 177.86 2dun h GLU 68 N -1.00 0.03 -0.98 1.69 4.39 -0.93 0.80 114.58 118.59 2dun h GLU 68 Ca -0.05 -0.00 0.27 0.00 0.34 0.00 0.00 59.36 59.92 2dun h GLU 68 Cb 0.68 -0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 29.18 2dun h GLU 68 CO -0.03 0.02 0.52 0.00 -1.16 0.00 0.00 179.01 178.37 2dun h ARG 69 N 0.04 0.40 0.08 2.33 2.47 -1.68 0.12 114.38 118.14 2dun h ARG 69 Ca 0.64 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.33 2dun h ARG 69 Cb 1.42 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2dun h ARG 69 CO -0.85 0.27 -0.04 0.00 0.56 0.00 0.00 179.97 179.90 2dun h ARG 70 N 0.42 -0.11 -0.94 0.04 3.08 0.44 -3.19 114.38 114.12 2dun h ARG 70 Ca 0.66 0.01 0.22 0.00 0.07 0.00 0.00 59.98 60.94 2dun h ARG 70 Cb 1.38 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 31.38 2dun h ARG 70 CO -0.55 0.43 0.62 0.52 -1.07 0.00 0.00 179.97 179.91 2dun h MET 71 N -0.75 0.39 -0.27 0.04 2.86 -0.84 1.37 114.93 117.72 2dun h MET 71 Ca -0.01 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2dun h MET 71 Cb 0.58 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2dun h MET 71 CO 0.02 0.26 -0.06 0.00 1.06 0.00 0.00 176.91 178.19 2dun h ALA 72 N 1.61 1.41 -0.30 6.32 0.00 -0.84 -2.70 119.26 124.76 2dun h ALA 72 Ca 0.50 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2dun h ALA 72 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2dun h ALA 72 CO -0.20 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2dun n ALA 73 N -2.48 2.24 -2.14 0.00 0.00 0.11 -5.00 120.51 113.24 2dun n ALA 73 Ca 0.01 -1.04 -0.35 0.00 0.00 0.00 0.00 53.44 52.05 2dun n ALA 73 Cb 0.26 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.20 2dun n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun s ALA 74 N -1.00 3.42 0.84 0.00 0.00 0.43 -5.05 121.76 120.39 2dun s ALA 74 Ca 0.22 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2dun s ALA 74 Cb 0.12 -2.77 0.09 0.00 0.00 0.00 0.00 23.12 20.56 2dun s ALA 74 CO 0.16 0.35 1.09 -1.25 0.00 0.00 0.00 175.76 176.11 2dun s PRO 75 N -2.15 1.72 0.37 0.00 0.04 -1.26 -4.93 135.00 128.79 2dun s PRO 75 Ca 0.44 0.99 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 2dun s PRO 75 Cb -0.15 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2dun s PRO 75 CO 0.20 -1.96 1.20 -1.25 0.04 0.00 0.00 177.00 175.23 2dun s PRO 76 N -4.92 4.17 0.00 0.56 0.04 -1.26 -3.29 135.00 130.30 2dun s PRO 76 Ca 0.62 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.61 2dun s PRO 76 Cb -0.18 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2dun s PRO 76 CO 0.57 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.77 2dun n GLY 77 N 0.74 2.49 3.67 0.56 0.00 -1.26 -5.00 105.19 106.39 2dun n GLY 77 Ca 0.03 -0.37 -0.48 0.00 0.00 0.00 0.00 46.02 45.20 2dun n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dun s THR 79 N 2.18 4.56 0.16 0.00 2.01 -1.26 -4.99 115.64 118.30 2dun s THR 79 Ca 0.85 1.66 -0.30 0.00 0.31 0.00 0.00 61.69 64.21 2dun s THR 79 Cb -0.72 -4.12 -0.08 0.00 0.01 0.00 0.00 72.50 67.59 2dun s THR 79 CO 0.45 0.44 1.33 -2.16 -0.69 0.00 0.00 174.62 173.99 2dun s PRO 80 N -0.60 4.37 0.69 4.92 0.04 -1.26 -5.01 135.00 138.15 2dun s PRO 80 Ca 0.37 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.31 2dun s PRO 80 Cb -0.22 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.11 2dun s PRO 80 CO 0.24 -0.31 1.11 -1.25 0.04 0.00 0.00 177.00 176.83 2dun s PRO 81 N 0.38 2.66 -0.12 0.56 0.04 -1.26 -4.99 135.00 132.25 2dun s PRO 81 Ca 0.59 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.69 2dun s PRO 81 Cb -0.36 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2dun s PRO 81 CO 0.35 -1.35 0.95 0.00 0.04 0.00 0.00 177.00 176.98 2dun s ALA 82 N -2.48 3.44 -0.72 8.56 0.00 -1.01 -4.91 121.76 124.64 2dun s ALA 82 Ca 0.65 0.27 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 2dun s ALA 82 Cb -0.20 -3.36 0.08 0.00 0.00 0.00 0.00 23.12 19.64 2dun s ALA 82 CO 0.45 -0.61 1.02 -0.51 0.00 0.00 0.00 175.76 176.12 2dun s LEU 83 N 2.03 4.38 0.44 0.00 1.43 -1.26 -0.16 118.68 125.54 2dun s LEU 83 Ca 0.45 -1.13 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2dun s LEU 83 Cb -0.18 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.63 2dun s LEU 83 CO 0.16 -1.41 0.59 -0.76 0.23 0.00 0.00 176.35 175.15 2dun s LEU 84 N 4.00 3.56 0.29 1.79 1.43 0.12 -0.83 118.68 129.04 2dun s LEU 84 Ca 0.25 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 2dun s LEU 84 Cb -0.14 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2dun s LEU 84 CO 0.07 -0.83 0.23 1.51 0.23 0.00 0.00 176.35 177.56 2dun s ASP 85 N -4.38 5.37 0.57 2.29 1.47 -1.24 -2.39 116.67 118.37 2dun s ASP 85 Ca 0.55 -0.38 0.29 0.00 1.18 0.00 0.00 52.55 54.19 2dun s ASP 85 Cb -0.09 -1.18 1.46 0.00 -0.34 0.00 0.00 42.92 42.77 2dun s ASP 85 CO 0.33 -0.18 1.89 -0.29 0.68 0.00 0.00 175.17 177.60 2dun h ILE 86 N 1.40 0.42 -0.44 2.11 6.09 -1.82 0.20 117.51 125.46 2dun h ILE 86 Ca -0.47 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.05 2dun h ILE 86 Cb 1.25 0.59 -0.02 0.00 0.47 0.00 0.00 36.82 39.11 2dun h ILE 86 CO 0.60 0.00 0.29 -1.28 -3.07 0.00 0.00 178.15 174.69 2dun h SER 87 N 0.00 0.44 0.23 2.19 0.87 -1.94 -1.69 113.55 113.65 2dun h SER 87 Ca 0.27 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2dun h SER 87 Cb 1.33 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dun h SER 87 CO -0.00 0.31 -0.11 -0.25 -0.53 0.00 0.00 176.83 176.25 2dun h TRP 88 N 0.52 -0.29 0.35 2.24 7.01 -0.99 -3.01 115.95 121.78 2dun h TRP 88 Ca 0.17 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2dun h TRP 88 Cb 0.05 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2dun h TRP 88 CO -0.00 0.08 -0.43 1.25 -2.79 0.00 0.00 178.44 176.55 2dun h LEU 89 N -0.76 -1.21 -0.96 0.65 5.85 -1.54 -2.07 115.31 115.28 2dun h LEU 89 Ca -0.03 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2dun h LEU 89 Cb 0.50 0.41 -0.13 0.00 0.37 0.00 0.00 40.66 41.82 2dun h LEU 89 CO 0.05 -0.54 -0.51 0.35 -0.34 0.00 0.00 178.44 177.45 2dun n THR 90 N -4.99 -0.61 -0.24 1.05 -2.24 -0.66 0.52 114.28 107.11 2dun n THR 90 Ca -0.09 2.29 0.04 0.00 -2.27 0.00 0.00 64.05 64.02 2dun n THR 90 Cb 0.38 -2.88 0.17 0.00 -2.10 0.00 0.00 70.33 65.89 2dun n THR 90 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2dun h GLU 91 N 0.00 0.32 0.60 -0.78 4.39 -1.37 -0.34 114.58 117.40 2dun h GLU 91 Ca 0.20 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 2dun h GLU 91 Cb 0.44 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2dun h GLU 91 CO -0.91 0.21 -0.30 0.77 -1.16 0.00 0.00 179.01 177.62 2dun h SER 92 N 0.33 -0.71 -0.73 1.42 0.02 0.79 -0.70 113.55 113.97 2dun h SER 92 Ca 0.39 0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.51 2dun h SER 92 Cb 0.63 0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.27 2dun h SER 92 CO -0.45 -0.50 0.27 -0.07 -1.14 0.00 0.00 176.83 174.94 2dun h LEU 93 N -0.82 0.22 -0.92 5.07 3.38 -0.26 1.26 115.31 123.23 2dun h LEU 93 Ca -0.08 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dun h LEU 93 Cb 0.64 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dun h LEU 93 CO 0.13 0.08 0.00 1.23 0.09 0.00 0.00 178.44 179.97 2dun h GLY 94 N 0.41 0.00 0.00 0.83 0.00 -0.86 -2.77 103.07 100.67 2dun h GLY 94 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2dun h GLY 94 CO -0.41 0.00 -1.15 0.00 0.00 0.00 0.00 176.54 174.98 2dun n ALA 95 N -1.90 3.67 0.00 3.60 0.00 0.12 -4.97 120.51 121.04 2dun n ALA 95 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2dun n ALA 95 Cb 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.11 2dun n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dun n GLY 96 N 1.44 2.67 3.19 0.00 0.00 0.39 -4.96 105.19 107.92 2dun n GLY 96 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2dun n GLY 96 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dun s GLN 97 N 0.00 0.86 -0.39 1.61 -2.07 -1.16 -4.63 119.66 113.89 2dun s GLN 97 Ca 0.00 -1.04 -0.28 0.00 -1.82 0.00 0.00 55.36 52.22 2dun s GLN 97 Cb 0.00 -0.81 -0.01 0.00 -1.09 0.00 0.00 33.01 31.10 2dun s GLN 97 CO 0.00 0.17 1.73 -1.25 -1.32 0.00 0.00 175.29 174.61 2dun s PRO 98 N -2.05 3.27 0.56 9.60 0.04 -1.26 -4.38 135.00 140.77 2dun s PRO 98 Ca 0.01 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 2dun s PRO 98 Cb -0.08 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 2dun s PRO 98 CO 0.02 -1.94 1.10 0.14 0.04 0.00 0.00 177.00 176.37 2dun s VAL 99 N 6.93 3.34 -0.22 -0.36 -7.23 -1.26 -4.96 120.40 116.64 2dun s VAL 99 Ca 0.74 0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 61.40 2dun s VAL 99 Cb -0.19 -3.29 -0.03 0.00 0.56 0.00 0.00 36.38 33.43 2dun s VAL 99 CO 0.31 -0.23 1.61 -2.16 -0.31 0.00 0.00 175.10 174.32 2dun s PRO 100 N -3.48 3.79 0.23 4.82 0.04 -1.26 -4.93 135.00 134.21 2dun s PRO 100 Ca 0.70 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 63.21 2dun s PRO 100 Cb -0.21 -4.03 -0.12 0.00 0.04 0.00 0.00 34.50 30.17 2dun s PRO 100 CO 0.29 -1.30 0.20 0.28 0.04 0.00 0.00 177.00 176.51 2dun n VAL 101 N 6.42 0.89 -4.22 -0.36 0.31 -1.26 -4.97 118.33 115.14 2dun n VAL 101 Ca 0.19 -0.36 -0.28 0.00 -0.01 0.00 0.00 64.34 63.88 2dun n VAL 101 Cb 0.45 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.33 2dun n VAL 101 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2dun s GLU 102 N -0.72 2.23 0.24 5.55 2.02 -1.26 -5.02 118.70 121.74 2dun s GLU 102 Ca 0.44 -2.08 -0.04 0.00 0.02 0.00 0.00 54.97 53.32 2dun s GLU 102 Cb -0.55 -1.89 0.26 0.00 0.10 0.00 0.00 34.13 32.05 2dun s GLU 102 CO 0.43 -0.38 1.74 0.00 0.02 0.00 0.00 175.26 177.07 2dun h ARG 104 N 0.83 0.60 0.55 0.00 0.11 -2.02 -3.30 114.38 111.15 2dun h ARG 104 Ca 0.16 -0.47 -0.02 0.00 0.10 0.00 0.00 59.98 59.75 2dun h ARG 104 Cb 0.45 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2dun h ARG 104 CO 0.02 1.09 -0.37 0.45 0.10 0.00 0.00 179.97 181.26 2dun h HIS 105 N 0.42 -0.98 -0.93 4.08 3.86 -1.91 -3.42 115.15 116.26 2dun h HIS 105 Ca -0.03 -0.01 -0.82 0.00 -1.16 0.00 0.00 60.37 58.35 2dun h HIS 105 Cb 1.32 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 30.14 2dun h HIS 105 CO 0.06 -0.55 0.90 0.54 0.86 0.00 0.00 177.93 179.74 2dun n ARG 106 N -5.50 0.31 -3.25 2.45 1.74 -1.00 -3.61 116.66 107.80 2dun n ARG 106 Ca -0.12 0.11 -0.46 0.00 -0.77 0.00 0.00 57.85 56.61 2dun n ARG 106 Cb 0.39 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 2dun n ARG 106 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dun s LEU 107 N 3.92 6.06 0.07 0.55 1.43 -0.01 -5.01 118.68 125.69 2dun s LEU 107 Ca 1.07 -1.87 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 2dun s LEU 107 Cb -1.37 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 42.64 2dun s LEU 107 CO 0.74 -0.88 0.35 -0.70 0.23 0.00 0.00 176.35 176.09 2dun s GLU 108 N 1.65 0.91 0.31 1.70 2.12 -1.22 -4.47 118.70 119.70 2dun s GLU 108 Ca 0.08 -0.55 0.05 0.00 0.36 0.00 0.00 54.97 54.92 2dun s GLU 108 Cb -0.25 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 34.48 2dun s GLU 108 CO 0.01 -0.31 0.01 0.54 -0.54 0.00 0.00 175.26 174.97 2dun s VAL 109 N -2.93 1.42 -0.30 3.70 0.11 -1.26 -4.51 120.40 116.63 2dun s VAL 109 Ca -0.02 -2.05 -0.13 0.00 -2.93 0.00 0.00 61.98 56.86 2dun s VAL 109 Cb 0.00 -2.66 0.18 0.00 -1.53 0.00 0.00 36.38 32.37 2dun s VAL 109 CO -0.06 -0.13 1.04 0.00 -3.33 0.00 0.00 175.10 172.62 2dun s ALA 110 N -3.14 -3.43 -0.51 1.54 0.00 -1.26 -5.02 121.76 109.94 2dun s ALA 110 Ca 0.33 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 2dun s ALA 110 Cb 0.07 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2dun s ALA 110 CO 0.14 -1.48 0.47 0.41 0.00 0.00 0.00 175.76 175.29 2dun n GLY 111 N 5.46 -0.72 3.66 0.00 0.00 -1.26 -4.94 105.19 107.39 2dun n GLY 111 Ca -0.06 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2dun n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 112 N -3.25 4.21 0.70 1.61 0.04 -1.26 -5.01 135.00 132.04 2dun s PRO 112 Ca 0.08 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.04 2dun s PRO 112 Cb -0.01 -3.86 0.03 0.00 0.04 0.00 0.00 34.50 30.70 2dun s PRO 112 CO 0.45 -0.77 1.06 1.03 0.04 0.00 0.00 177.00 178.82 2dun s ARG 113 N 3.63 2.63 -0.08 4.56 0.52 -1.26 -5.01 118.95 123.94 2dun s ARG 113 Ca 0.67 0.22 0.12 0.00 -0.52 0.00 0.00 55.73 56.22 2dun s ARG 113 Cb -0.30 -2.07 0.23 0.00 0.52 0.00 0.00 34.95 33.33 2dun s ARG 113 CO 0.25 -1.10 1.11 1.63 0.02 0.00 0.00 175.30 177.22 2dun n LYS 114 N -2.97 0.71 0.00 3.54 4.76 -1.26 -5.00 118.16 117.94 2dun n LYS 114 Ca 0.07 -2.07 0.00 0.00 -2.87 0.00 0.00 58.31 53.44 2dun n LYS 114 Cb 0.58 -0.96 0.00 0.00 -1.84 0.00 0.00 35.03 32.81 2dun n LYS 114 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dun n GLY 115 N -0.62 1.23 3.62 0.72 0.00 -1.26 -5.16 105.19 103.71 2dun n GLY 115 Ca 0.10 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2dun n GLY 115 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 116 N 0.00 -0.77 0.25 1.61 0.04 -1.26 -5.08 135.00 129.79 2dun s PRO 116 Ca 0.00 0.10 0.12 0.00 0.04 0.00 0.00 61.00 61.26 2dun s PRO 116 Cb 0.00 -1.63 -0.05 0.00 0.04 0.00 0.00 34.50 32.86 2dun s PRO 116 CO 0.00 -3.45 -0.21 -0.48 0.04 0.00 0.00 177.00 172.90 2dun s LEU 117 N -6.81 2.54 -0.01 -3.56 0.05 -1.26 -5.15 118.68 104.47 2dun s LEU 117 Ca 0.69 -0.97 0.05 0.00 0.05 0.00 0.00 54.13 53.95 2dun s LEU 117 Cb -0.12 -1.11 -0.03 0.00 -2.05 0.00 0.00 46.19 42.87 2dun s LEU 117 CO 0.57 0.06 -0.16 -0.94 -0.55 0.00 0.00 176.35 175.33 2dun s SER 118 N -3.21 3.93 0.10 1.48 1.04 -1.26 -5.04 113.70 110.74 2dun s SER 118 Ca 0.27 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 2dun s SER 118 Cb -0.06 -0.75 -0.08 0.00 0.10 0.00 0.00 66.02 65.23 2dun s SER 118 CO 0.13 0.31 1.43 1.55 0.98 0.00 0.00 173.24 177.64 2dun h PRO 119 N 5.03 0.73 -2.39 4.02 0.13 -2.08 -3.48 132.00 133.96 2dun h PRO 119 Ca -0.47 -0.38 0.17 0.00 -0.87 0.00 0.00 66.00 64.45 2dun h PRO 119 Cb 1.15 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 2dun h PRO 119 CO 0.50 1.00 0.50 0.00 -0.23 0.00 0.00 178.00 179.76 2dun s ALA 120 N -4.37 -1.61 -0.04 -0.56 0.00 -1.26 -5.16 121.76 108.76 2dun s ALA 120 Ca -0.12 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 2dun s ALA 120 Cb 0.09 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 2dun s ALA 120 CO 0.83 -1.05 0.39 -0.46 0.00 0.00 0.00 175.76 175.47 2dun s TRP 121 N -3.06 3.66 -0.02 0.00 -0.11 -1.26 -5.09 118.94 113.06 2dun s TRP 121 Ca 0.14 0.91 -0.02 0.00 1.22 0.00 0.00 56.10 58.35 2dun s TRP 121 Cb -0.02 -2.30 0.01 0.00 -1.50 0.00 0.00 33.47 29.66 2dun s TRP 121 CO 0.03 0.55 0.06 -1.64 -4.62 0.00 0.00 176.95 171.33 2dun s MET 122 N -0.69 0.06 1.05 5.86 -1.94 -1.26 -5.16 119.30 117.22 2dun s MET 122 Ca 0.23 0.10 -0.14 0.00 -1.71 0.00 0.00 55.69 54.17 2dun s MET 122 Cb -0.16 0.00 0.22 0.00 2.01 0.00 0.00 34.83 36.90 2dun s MET 122 CO 0.11 -0.03 1.10 -1.25 -0.01 0.00 0.00 175.02 174.94 2dun s PRO 123 N 0.16 -0.01 0.18 2.03 0.04 -1.26 -4.94 135.00 131.20 2dun s PRO 123 Ca -0.01 0.37 -0.13 0.00 0.04 0.00 0.00 61.00 61.27 2dun s PRO 123 Cb -0.02 -1.70 0.14 0.00 0.04 0.00 0.00 34.50 32.96 2dun s PRO 123 CO -0.00 -3.00 1.79 0.00 0.04 0.00 0.00 177.00 175.83 2dun h ALA 124 N -2.08 0.66 0.22 8.56 0.00 -2.04 -3.12 119.26 121.46 2dun h ALA 124 Ca -0.53 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2dun h ALA 124 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dun h ALA 124 CO 0.53 -0.08 -0.11 0.10 0.00 0.00 0.00 179.25 179.70 2dun h TYR 125 N 0.52 -0.28 -6.55 0.00 -0.00 -2.07 -3.46 116.97 105.14 2dun h TYR 125 Ca 0.23 -0.01 -0.53 0.00 -0.00 0.00 0.00 58.73 58.42 2dun h TYR 125 Cb 0.12 0.09 -0.31 0.00 -0.00 0.00 0.00 36.73 36.63 2dun h TYR 125 CO -0.10 0.10 -0.77 0.00 -0.00 0.00 0.00 178.16 177.40 2dun n ALA 126 N -2.57 -1.09 -2.85 0.10 0.00 -1.18 -4.88 120.51 108.04 2dun n ALA 126 Ca -0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.01 2dun n ALA 126 Cb 0.26 -1.98 -0.15 0.00 0.00 0.00 0.00 19.45 17.58 2dun n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun s SER 128 N -0.02 4.25 0.00 0.00 0.15 -1.26 -5.08 113.70 111.74 2dun s SER 128 Ca 0.01 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2dun s SER 128 Cb -0.03 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2dun s SER 128 CO -0.00 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dun n GLY 129 N 4.45 1.11 3.62 9.45 0.00 -1.26 -5.12 105.19 117.44 2dun n GLY 129 Ca -0.18 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2dun n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dun s PRO 130 N -1.78 3.64 -0.28 1.61 0.04 -1.26 -4.96 135.00 132.01 2dun s PRO 130 Ca 0.00 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 2dun s PRO 130 Cb 0.00 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 30.56 2dun s PRO 130 CO 0.00 -1.49 0.78 -1.54 0.04 0.00 0.00 177.00 174.79 2dun s SER 131 N 4.74 -0.80 0.02 6.66 1.04 -1.26 -5.17 113.70 118.93 2dun s SER 131 Ca 0.73 1.30 -0.00 0.00 0.48 0.00 0.00 55.95 58.45 2dun s SER 131 Cb -0.23 1.33 -0.02 0.00 0.10 0.00 0.00 66.02 67.20 2dun s SER 131 CO 0.31 -0.21 -0.02 -0.44 0.98 0.00 0.00 173.24 173.86 2dun s SER 132 N 1.47 0.20 0.00 7.02 0.01 -1.26 -5.27 113.70 115.87 2dun s SER 132 Ca -0.09 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2dun s SER 132 Cb -0.05 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2dun s SER 132 CO -0.17 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.83