#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dun n SER 2 N 0.00 0.22 -4.87 1.61 7.64 -1.26 -4.94 113.62 112.01 2dun n SER 2 Ca 0.00 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.70 2dun n SER 2 Cb 0.00 -1.12 -0.05 0.00 -1.01 0.00 0.00 64.21 62.03 2dun n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dun s SER 3 N -0.62 6.61 -0.30 6.43 0.15 -1.26 -5.08 113.70 119.64 2dun s SER 3 Ca 0.65 0.78 0.03 0.00 0.70 0.00 0.00 55.95 58.11 2dun s SER 3 Cb -0.85 -2.17 0.08 0.00 -1.71 0.00 0.00 66.02 61.37 2dun s SER 3 CO 0.57 0.09 -0.03 -0.83 1.20 0.00 0.00 173.24 174.24 2dun s GLY 4 N -2.05 1.78 0.00 9.45 0.00 -1.26 -5.10 107.32 110.15 2dun s GLY 4 Ca 0.38 -2.08 0.06 0.00 0.00 0.00 0.00 44.72 43.09 2dun s GLY 4 CO 0.20 0.75 -0.20 -0.56 0.00 0.00 0.00 173.10 173.30 2dun s SER 5 N 1.07 2.33 0.04 1.64 0.01 -1.26 -5.06 113.70 112.48 2dun s SER 5 Ca -0.01 -0.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 2dun s SER 5 Cb -0.20 -0.24 -0.17 0.00 0.21 0.00 0.00 66.02 65.62 2dun s SER 5 CO -0.06 0.21 1.40 0.77 0.41 0.00 0.00 173.24 175.97 2dun h SER 6 N 5.40 -0.64 -3.69 2.44 4.64 -2.09 -3.45 113.55 116.17 2dun h SER 6 Ca -0.40 -0.04 -0.21 0.00 -0.47 0.00 0.00 61.79 60.67 2dun h SER 6 Cb 1.15 0.16 -0.28 0.00 -0.31 0.00 0.00 62.40 63.12 2dun h SER 6 CO 0.47 -0.34 -0.60 -0.83 -0.87 0.00 0.00 176.83 174.66 2dun s GLY 7 N -2.35 -0.06 -0.02 -0.77 0.00 -1.26 -5.07 107.32 97.78 2dun s GLY 7 Ca -0.16 0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.91 2dun s GLY 7 CO 0.55 0.44 -0.09 -1.26 0.00 0.00 0.00 173.10 172.75 2dun n SER 8 N 3.33 0.72 -3.64 1.64 2.88 -1.26 -5.12 113.62 112.16 2dun n SER 8 Ca -0.16 0.11 -0.05 0.00 -1.33 0.00 0.00 58.87 57.44 2dun n SER 8 Cb 0.57 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 63.56 2dun n SER 8 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dun s THR 9 N -1.68 0.00 0.27 2.46 -1.32 -1.26 -5.04 115.64 109.07 2dun s THR 9 Ca -0.07 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.32 2dun s THR 9 Cb 0.01 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.43 2dun s THR 9 CO 0.11 0.00 1.57 0.03 -2.21 0.00 0.00 174.62 174.12 2dun h ARG 10 N 3.22 0.00 -3.20 7.08 2.47 -1.94 -3.18 114.38 118.82 2dun h ARG 10 Ca -0.24 -0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.86 2dun h ARG 10 Cb 1.19 -0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.10 2dun h ARG 10 CO 0.18 0.00 -0.70 -0.06 0.56 0.00 0.00 179.97 179.95 2dun s PHE 11 N -6.25 2.46 0.29 3.04 0.08 -1.04 -4.95 117.98 111.60 2dun s PHE 11 Ca -0.15 -2.69 0.16 0.00 0.12 0.00 0.00 56.93 54.37 2dun s PHE 11 Cb 0.26 -2.25 0.71 0.00 -0.57 0.00 0.00 43.02 41.17 2dun s PHE 11 CO 0.77 -0.78 1.78 -1.00 -0.10 0.00 0.00 175.22 175.90 2dun h PRO 12 N 6.72 0.00 -0.96 0.24 0.13 -1.88 -2.98 132.00 133.27 2dun h PRO 12 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 2dun h PRO 12 Cb 0.92 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.00 2dun h PRO 12 CO 0.56 0.40 0.12 0.41 -0.23 0.00 0.00 178.00 179.25 2dun n GLY 13 N -0.11 2.41 2.93 1.56 0.00 -1.26 -4.68 105.19 106.04 2dun n GLY 13 Ca -0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.07 -0.48 -0.18 1.61 1.01 -1.13 -5.08 120.40 115.08 2dun s VAL 14 Ca 0.15 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2dun s VAL 14 Cb 0.12 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2dun s VAL 14 CO 0.03 -0.06 -0.19 0.00 0.00 0.00 0.00 175.10 174.88 2dun s ALA 15 N 2.46 2.36 -0.16 5.51 0.00 -1.26 -4.16 121.76 126.51 2dun s ALA 15 Ca 0.06 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 2dun s ALA 15 Cb -0.14 -1.20 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 2dun s ALA 15 CO -0.13 -0.32 -0.03 0.42 0.00 0.00 0.00 175.76 175.70 2dun s ILE 16 N 1.26 3.87 -0.22 0.00 1.01 -1.21 -0.61 121.20 125.30 2dun s ILE 16 Ca 0.04 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 2dun s ILE 16 Cb -0.13 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2dun s ILE 16 CO -0.11 0.48 0.01 -0.47 0.00 0.00 0.00 174.94 174.85 2dun s TYR 17 N 0.50 3.03 -0.15 3.97 5.04 -0.99 -3.09 117.35 125.66 2dun s TYR 17 Ca -0.03 -0.55 -0.24 0.00 -2.44 0.00 0.00 57.07 53.81 2dun s TYR 17 Cb -0.14 -2.13 -0.02 0.00 0.35 0.00 0.00 41.96 40.02 2dun s TYR 17 CO 0.03 -0.33 0.76 -0.51 -1.34 0.00 0.00 175.55 174.16 2dun s LEU 18 N 1.24 4.20 -0.76 6.97 1.43 -1.26 -2.44 118.68 128.05 2dun s LEU 18 Ca 0.04 1.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.98 2dun s LEU 18 Cb -0.15 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 42.96 2dun s LEU 18 CO 0.01 -0.31 1.47 -0.69 0.23 0.00 0.00 176.35 177.06 2dun s VAL 19 N 1.82 3.66 0.22 -1.59 1.01 -1.23 -4.88 120.40 119.40 2dun s VAL 19 Ca 0.36 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 2dun s VAL 19 Cb -0.17 -4.68 0.20 0.00 0.00 0.00 0.00 36.38 31.74 2dun s VAL 19 CO 0.13 -1.62 1.56 -0.08 0.00 0.00 0.00 175.10 175.10 2dun h GLU 20 N 11.14 -0.05 -6.61 2.72 4.22 -1.94 -3.36 114.58 120.70 2dun h GLU 20 Ca -0.18 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.73 2dun h GLU 20 Cb 1.07 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.35 2dun h GLU 20 CO 1.29 -0.03 0.67 -1.25 -2.18 0.00 0.00 179.01 177.50 2dun s PRO 21 N -5.96 4.37 -0.98 0.92 0.04 -1.26 -3.48 135.00 128.64 2dun s PRO 21 Ca -0.14 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2dun s PRO 21 Cb 0.19 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 2dun s PRO 21 CO 0.71 -0.32 0.83 0.54 0.04 0.00 0.00 177.00 178.79 2dun n ARG 22 N 3.25 -4.63 0.00 4.56 1.74 -1.26 -4.93 116.66 115.39 2dun n ARG 22 Ca 0.08 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 2dun n ARG 22 Cb 0.43 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 2dun n ARG 22 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 2dun n MET 23 N -3.46 0.00 0.00 5.56 1.56 -1.23 -4.02 117.12 115.53 2dun n MET 23 Ca -0.20 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.23 2dun n MET 23 Cb 0.63 -0.33 0.00 0.00 2.15 0.00 0.00 33.22 35.68 2dun n MET 23 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2dun n GLY 24 N 2.03 3.62 0.27 -5.12 0.00 -1.26 -4.48 105.19 100.25 2dun n GLY 24 Ca 0.00 -1.49 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2dun n GLY 24 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2dun h ARG 25 N 0.00 0.00 0.00 1.61 -0.00 -2.02 -2.80 114.38 111.17 2dun h ARG 25 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.87 2dun h ARG 25 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 29.95 2dun h ARG 25 CO 0.00 0.08 -1.19 0.43 -0.00 0.00 0.00 179.97 179.28 2dun n SER 26 N -3.99 1.91 -0.33 0.08 7.64 -1.26 -4.45 113.62 113.21 2dun n SER 26 Ca -0.03 0.41 -0.09 0.00 1.01 0.00 0.00 58.87 60.18 2dun n SER 26 Cb 0.16 -0.81 -0.08 0.00 -1.01 0.00 0.00 64.21 62.48 2dun n SER 26 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dun n ARG 27 N -4.46 -0.34 -0.17 1.43 3.00 -1.23 -0.21 116.66 114.68 2dun n ARG 27 Ca -0.21 1.29 -0.05 0.00 -0.00 0.00 0.00 57.85 58.88 2dun n ARG 27 Cb 0.54 -1.90 -0.04 0.00 0.00 0.00 0.00 32.46 31.06 2dun n ARG 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2dun n ARG 28 N -4.84 -0.18 0.32 -0.14 0.00 -1.06 -0.12 116.66 110.63 2dun n ARG 28 Ca 0.02 0.99 -0.17 0.00 -0.00 0.00 0.00 57.85 58.69 2dun n ARG 28 Cb 0.20 -1.46 -0.09 0.00 0.00 0.00 0.00 32.46 31.12 2dun n ARG 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dun h ALA 29 N -0.15 -0.77 -0.98 5.13 0.00 -1.34 0.14 119.26 121.28 2dun h ALA 29 Ca 0.07 -0.18 0.34 0.00 0.00 0.00 0.00 54.91 55.13 2dun h ALA 29 Cb 0.17 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 18.08 2dun h ALA 29 CO -0.39 -0.91 0.26 0.34 0.00 0.00 0.00 179.25 178.55 2dun n PHE 30 N -5.40 0.87 -0.06 0.00 7.35 0.71 -0.47 117.46 120.46 2dun n PHE 30 Ca -0.13 1.17 -0.14 0.00 -0.76 0.00 0.00 57.45 57.60 2dun n PHE 30 Cb 0.33 -1.39 -0.13 0.00 0.35 0.00 0.00 39.48 38.64 2dun n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dun h LEU 31 N 0.00 0.01 -0.96 -2.13 3.38 -0.28 -2.93 115.31 112.40 2dun h LEU 31 Ca 0.71 -0.94 0.13 0.00 0.09 0.00 0.00 57.88 57.87 2dun h LEU 31 Cb 1.68 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.28 2dun h LEU 31 CO -0.84 0.95 -0.43 0.41 0.09 0.00 0.00 178.44 178.62 2dun n THR 32 N -4.63 -0.55 -0.12 0.22 -1.04 0.48 -0.07 114.28 108.58 2dun n THR 32 Ca -0.10 2.27 -0.12 0.00 -2.04 0.00 0.00 64.05 64.06 2dun n THR 32 Cb 0.46 -2.94 -0.03 0.00 -1.82 0.00 0.00 70.33 66.01 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 0.80 0.46 3.41 0.00 -1.43 -3.03 103.07 103.28 2dun h GLY 33 Ca 0.28 -0.71 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 2dun h GLY 33 CO -0.94 0.65 -0.46 -2.00 0.00 0.00 0.00 176.54 173.79 2dun h LEU 34 N 0.52 -1.30 -0.27 3.11 5.85 -0.50 -1.97 115.31 120.75 2dun h LEU 34 Ca 0.08 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.95 2dun h LEU 34 Cb 0.70 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 2dun h LEU 34 CO 0.05 -0.60 -0.50 0.00 -0.34 0.00 0.00 178.44 177.05 2dun h ALA 35 N -0.60 -0.79 -0.90 1.25 0.00 -0.54 0.71 119.26 118.38 2dun h ALA 35 Ca -0.03 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.11 2dun h ALA 35 Cb 0.79 1.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.47 2dun h ALA 35 CO -0.11 -1.00 0.23 0.00 0.00 0.00 0.00 179.25 178.36 2dun h ARG 36 N -0.43 0.16 -0.60 0.00 3.08 -1.41 0.66 114.38 115.84 2dun h ARG 36 Ca 0.05 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2dun h ARG 36 Cb 0.57 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 2dun h ARG 36 CO -0.48 0.10 0.04 0.77 -1.07 0.00 0.00 179.97 179.33 2dun h SER 37 N 0.16 0.98 0.41 7.04 0.02 -0.27 -3.23 113.55 118.65 2dun h SER 37 Ca 0.58 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2dun h SER 37 Cb 1.21 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2dun h SER 37 CO -0.70 1.01 -0.20 0.11 -1.14 0.00 0.00 176.83 175.91 2dun h LYS 38 N 0.94 -0.53 0.00 3.45 1.79 0.23 -3.48 116.57 118.97 2dun h LYS 38 Ca 0.18 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2dun h LYS 38 Cb 0.49 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2dun h LYS 38 CO 0.02 -0.22 0.00 0.41 -1.08 0.00 0.00 179.45 178.58 2dun n GLY 39 N -0.22 0.00 3.21 3.86 0.00 0.78 -4.92 105.19 107.91 2dun n GLY 39 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 2.19 -0.25 1.61 0.08 -1.03 -2.50 117.98 118.09 2dun s PHE 40 Ca 0.00 -0.69 -0.27 0.00 0.12 0.00 0.00 56.93 56.09 2dun s PHE 40 Cb 0.00 -1.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 2dun s PHE 40 CO 0.00 -0.23 0.96 0.50 -0.10 0.00 0.00 175.22 176.35 2dun s ARG 41 N -0.01 4.20 -0.19 0.44 3.52 -1.26 -3.44 118.95 122.21 2dun s ARG 41 Ca -0.06 1.15 -0.21 0.00 -0.13 0.00 0.00 55.73 56.48 2dun s ARG 41 Cb -0.14 -3.65 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 2dun s ARG 41 CO 0.04 -0.62 0.63 0.08 -0.81 0.00 0.00 175.30 174.62 2dun s VAL 42 N 3.10 5.02 0.05 7.11 1.01 -1.26 -3.28 120.40 132.15 2dun s VAL 42 Ca 0.40 1.19 -0.20 0.00 0.00 0.00 0.00 61.98 63.37 2dun s VAL 42 Cb -0.15 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 2dun s VAL 42 CO 0.08 0.12 0.60 -0.76 0.00 0.00 0.00 175.10 175.13 2dun s LEU 43 N 1.87 4.49 -0.06 3.92 1.43 -1.18 -5.02 118.68 124.14 2dun s LEU 43 Ca 0.29 1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2dun s LEU 43 Cb -0.16 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 43.11 2dun s LEU 43 CO 0.11 0.20 0.00 0.44 0.23 0.00 0.00 176.35 177.33 2dun h ASP 44 N 4.92 -0.00 0.00 2.29 5.19 -1.97 -3.41 116.42 123.44 2dun h ASP 44 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2dun h ASP 44 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2dun h ASP 44 CO 0.66 0.31 0.00 0.00 -3.12 0.00 0.00 179.24 177.09 2dun n ALA 45 N -2.49 1.44 -3.16 3.45 0.00 -1.26 -4.99 120.51 113.51 2dun n ALA 45 Ca -0.00 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.44 2dun n ALA 45 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2dun n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun n SER 47 N 5.45 3.36 -2.15 0.00 7.64 -1.26 -4.92 113.62 121.74 2dun n SER 47 Ca -0.08 -3.38 -0.21 0.00 1.01 0.00 0.00 58.87 56.22 2dun n SER 47 Cb 0.54 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 2dun n SER 47 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dun n SER 48 N -0.78 -5.78 -0.02 6.43 7.64 -1.26 -4.82 113.62 115.03 2dun n SER 48 Ca 0.30 0.13 -0.00 0.00 1.01 0.00 0.00 58.87 60.30 2dun n SER 48 Cb 1.03 -4.88 -0.04 0.00 -1.01 0.00 0.00 64.21 59.31 2dun n SER 48 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dun n GLU 49 N -2.83 2.00 -1.68 1.43 1.02 -1.26 -5.01 120.64 114.31 2dun n GLU 49 Ca -0.24 -0.02 -0.66 0.00 -0.02 0.00 0.00 57.16 56.23 2dun n GLU 49 Cb 0.69 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.88 2dun n GLU 49 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dun n ALA 50 N -1.98 -1.55 0.00 0.62 0.00 -1.26 -4.32 120.51 112.02 2dun n ALA 50 Ca -0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2dun n ALA 50 Cb 0.45 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 3.67 0.00 -3.63 0.00 -2.24 0.22 -3.86 114.28 108.43 2dun n THR 51 Ca 0.29 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.83 2dun n THR 51 Cb -0.05 -0.40 -0.17 0.00 -2.10 0.00 0.00 70.33 67.61 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 -1.76 0.21 -0.02 4.78 3.76 -0.60 -1.23 115.29 120.43 2dun s HIS 52 Ca 0.00 -0.20 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 2dun s HIS 52 Cb 0.00 -0.66 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 2dun s HIS 52 CO 0.00 -0.43 0.41 0.08 -0.85 0.00 0.00 174.74 173.94 2dun s VAL 53 N 2.13 5.06 -0.25 -0.90 1.01 -0.32 -2.34 120.40 124.79 2dun s VAL 53 Ca 0.03 0.83 -0.08 0.00 0.00 0.00 0.00 61.98 62.76 2dun s VAL 53 Cb -0.15 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 2dun s VAL 53 CO -0.07 0.55 0.08 -0.69 0.00 0.00 0.00 175.10 174.96 2dun s VAL 54 N -0.87 4.38 0.22 2.92 1.01 -1.02 -1.52 120.40 125.51 2dun s VAL 54 Ca 0.23 -0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.18 2dun s VAL 54 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2dun s VAL 54 CO 0.13 0.33 -0.22 -0.04 0.00 0.00 0.00 175.10 175.30 2dun s MET 55 N 1.61 1.59 -0.03 2.72 -1.94 -0.99 -3.48 119.30 118.78 2dun s MET 55 Ca 0.06 -1.58 0.02 0.00 -1.71 0.00 0.00 55.69 52.49 2dun s MET 55 Cb -0.15 -1.84 0.01 0.00 2.01 0.00 0.00 34.83 34.85 2dun s MET 55 CO 0.04 0.38 -0.09 -2.00 -0.01 0.00 0.00 175.02 173.34 2dun s GLU 56 N -2.91 1.09 -1.34 2.03 -6.30 -1.26 -0.15 118.70 109.87 2dun s GLU 56 Ca 0.23 -0.32 -0.08 0.00 -2.50 0.00 0.00 54.97 52.31 2dun s GLU 56 Cb -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 34.13 33.06 2dun s GLU 56 CO 0.11 0.09 0.49 0.39 0.02 0.00 0.00 175.26 176.36 2dun n GLU 57 N 3.43 -2.38 -4.27 4.30 1.02 -1.26 -4.86 120.64 116.62 2dun n GLU 57 Ca -0.20 0.36 -0.19 0.00 -0.02 0.00 0.00 57.16 57.12 2dun n GLU 57 Cb 0.53 -4.19 -0.15 0.00 -0.02 0.00 0.00 31.44 27.61 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 -3.85 0.61 1.02 2.62 2.01 -1.26 -5.14 115.64 111.65 2dun s THR 58 Ca 0.15 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 2dun s THR 58 Cb -0.06 -0.57 0.20 0.00 0.01 0.00 0.00 72.50 72.08 2dun s THR 58 CO 0.90 0.21 1.08 -0.44 -0.69 0.00 0.00 174.62 175.68 2dun s SER 59 N 0.31 2.40 0.11 3.53 0.01 -1.26 -4.92 113.70 113.88 2dun s SER 59 Ca -0.04 1.26 -0.14 0.00 1.31 0.00 0.00 55.95 58.34 2dun s SER 59 Cb -0.09 -1.95 -0.07 0.00 0.21 0.00 0.00 66.02 64.13 2dun s SER 59 CO 0.00 -3.28 1.46 0.00 0.41 0.00 0.00 173.24 171.83 2dun h ALA 60 N -1.99 0.46 -0.08 1.44 0.00 -1.89 -3.01 119.26 114.20 2dun h ALA 60 Ca -0.55 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 2dun h ALA 60 Cb 1.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2dun h ALA 60 CO 0.56 0.43 -0.06 1.05 0.00 0.00 0.00 179.25 181.23 2dun h GLU 61 N 0.49 0.17 -1.05 0.00 4.11 -1.86 -3.07 114.58 113.38 2dun h GLU 61 Ca 0.06 -0.08 0.27 0.00 0.07 0.00 0.00 59.36 59.68 2dun h GLU 61 Cb 0.78 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 2dun h GLU 61 CO 0.06 0.58 0.68 0.93 0.07 0.00 0.00 179.01 181.33 2dun h GLU 62 N -0.23 0.35 0.33 1.06 4.39 -1.94 -0.68 114.58 117.85 2dun h GLU 62 Ca 0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2dun h GLU 62 Cb 0.54 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2dun h GLU 62 CO 0.02 0.23 -0.16 0.00 -1.16 0.00 0.00 179.01 177.94 2dun h ALA 63 N 1.61 -0.44 -0.61 3.43 0.00 -1.43 -2.89 119.26 118.93 2dun h ALA 63 Ca 0.59 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.48 2dun h ALA 63 Cb 1.57 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 19.41 2dun h ALA 63 CO -0.27 -0.68 -0.28 0.28 0.00 0.00 0.00 179.25 178.30 2dun h VAL 64 N -0.58 0.22 -0.10 0.00 2.07 -1.11 0.02 116.25 116.78 2dun h VAL 64 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2dun h VAL 64 Cb 0.42 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 2dun h VAL 64 CO 0.07 0.00 -0.42 -1.28 0.02 0.00 0.00 177.57 175.96 2dun h SER 65 N -0.11 -1.31 -0.91 0.57 0.87 -1.46 0.34 113.55 111.54 2dun h SER 65 Ca 0.26 0.17 0.14 0.00 -1.23 0.00 0.00 61.79 61.13 2dun h SER 65 Cb 0.53 0.53 -0.07 0.00 -0.44 0.00 0.00 62.40 62.95 2dun h SER 65 CO -0.68 -0.44 0.58 -0.25 -0.53 0.00 0.00 176.83 175.51 2dun h TRP 66 N -0.51 0.87 0.01 2.24 7.01 -1.07 -1.88 115.95 122.62 2dun h TRP 66 Ca 0.07 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.09 2dun h TRP 66 Cb 0.63 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2dun h TRP 66 CO -0.47 0.33 -0.00 0.37 -2.79 0.00 0.00 178.44 175.87 2dun h GLN 67 N 0.74 -0.01 -0.96 2.65 5.75 0.61 -2.99 115.11 120.90 2dun h GLN 67 Ca 0.46 0.00 0.27 0.00 -0.15 0.00 0.00 58.65 59.22 2dun h GLN 67 Cb 0.68 0.00 -0.17 0.00 1.07 0.00 0.00 27.48 29.05 2dun h GLN 67 CO -0.22 0.17 0.07 0.93 -2.65 0.00 0.00 178.83 177.14 2dun h GLU 68 N -0.18 0.04 -0.84 1.69 5.08 -0.15 -0.56 114.58 119.65 2dun h GLU 68 Ca -0.00 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2dun h GLU 68 Cb 0.18 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.32 2dun h GLU 68 CO 0.00 0.02 -0.50 0.54 -1.00 0.00 0.00 179.01 178.08 2dun n ARG 69 N -5.44 -0.37 -0.03 2.33 5.12 -1.13 -1.29 116.66 115.86 2dun n ARG 69 Ca 0.23 1.35 -0.05 0.00 -1.93 0.00 0.00 57.85 57.45 2dun n ARG 69 Cb 0.76 -1.99 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 2dun n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dun h ARG 70 N 0.00 -0.17 -0.96 5.56 3.08 -1.25 0.30 114.38 120.95 2dun h ARG 70 Ca 0.13 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.47 2dun h ARG 70 Cb 0.35 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2dun h ARG 70 CO -0.79 -0.11 1.05 0.52 -1.07 0.00 0.00 179.97 179.57 2dun h MET 71 N -0.17 0.00 -0.11 0.04 2.86 -1.31 1.05 114.93 117.30 2dun h MET 71 Ca 0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2dun h MET 71 Cb 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2dun h MET 71 CO -0.18 0.00 -0.12 0.00 1.06 0.00 0.00 176.91 177.67 2dun h ALA 72 N 0.79 0.16 -0.31 6.32 0.00 0.96 -3.28 119.26 123.91 2dun h ALA 72 Ca 0.45 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2dun h ALA 72 Cb 2.55 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 20.26 2dun h ALA 72 CO -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.25 2dun n ALA 73 N -2.41 3.56 -2.93 0.00 0.00 0.24 -5.01 120.51 113.97 2dun n ALA 73 Ca -0.07 -2.68 -0.21 0.00 0.00 0.00 0.00 53.44 50.48 2dun n ALA 73 Cb 0.34 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.02 3.83 0.55 0.00 0.00 0.30 -5.02 121.76 118.40 2dun s ALA 74 Ca 0.43 -1.28 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 2dun s ALA 74 Cb 0.37 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 2dun s ALA 74 CO 0.05 0.25 1.13 -1.25 0.00 0.00 0.00 175.76 175.94 2dun s PRO 75 N -3.92 3.31 0.22 0.00 0.04 -1.26 -4.92 135.00 128.48 2dun s PRO 75 Ca 0.34 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 2dun s PRO 75 Cb -0.09 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2dun s PRO 75 CO 0.28 -0.88 1.29 -1.25 0.04 0.00 0.00 177.00 176.48 2dun s PRO 76 N -3.35 4.41 0.00 0.56 0.04 -1.26 -3.33 135.00 132.06 2dun s PRO 76 Ca 0.72 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2dun s PRO 76 Cb -0.24 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2dun s PRO 76 CO 0.28 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2dun n GLY 77 N 2.04 2.61 3.65 0.56 0.00 -1.26 -5.00 105.19 107.79 2dun n GLY 77 Ca 0.05 -0.64 -0.49 0.00 0.00 0.00 0.00 46.02 44.93 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 4.82 3.95 0.63 0.00 2.01 -1.26 -4.92 115.64 120.88 2dun s THR 79 Ca 0.96 1.68 -0.16 0.00 0.31 0.00 0.00 61.69 64.48 2dun s THR 79 Cb -0.73 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 67.70 2dun s THR 79 CO 0.52 0.28 1.12 -2.16 -0.69 0.00 0.00 174.62 173.68 2dun s PRO 80 N -0.30 2.94 1.08 4.92 0.04 -1.26 -5.00 135.00 137.41 2dun s PRO 80 Ca 0.49 1.45 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 2dun s PRO 80 Cb -0.29 -1.96 0.23 0.00 0.04 0.00 0.00 34.50 32.52 2dun s PRO 80 CO 0.34 -1.15 1.10 -1.25 0.04 0.00 0.00 177.00 176.08 2dun s PRO 81 N -3.89 -0.21 -0.29 0.56 0.04 -1.25 -4.97 135.00 124.98 2dun s PRO 81 Ca 0.68 0.29 -0.15 0.00 0.04 0.00 0.00 61.00 61.87 2dun s PRO 81 Cb -0.21 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2dun s PRO 81 CO 0.38 -3.11 0.36 0.00 0.04 0.00 0.00 177.00 174.67 2dun s ALA 82 N -2.98 3.54 -0.63 8.56 0.00 -0.37 -4.91 121.76 124.97 2dun s ALA 82 Ca 0.67 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 51.44 2dun s ALA 82 Cb -0.16 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2dun s ALA 82 CO 0.57 -0.76 1.70 -0.51 0.00 0.00 0.00 175.76 176.76 2dun s LEU 83 N 2.05 3.27 0.50 0.00 1.43 -1.26 -1.17 118.68 123.49 2dun s LEU 83 Ca 0.14 0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.46 2dun s LEU 83 Cb -0.16 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2dun s LEU 83 CO 0.11 -2.20 0.31 -0.76 0.23 0.00 0.00 176.35 174.04 2dun s LEU 84 N 8.08 2.83 0.14 1.79 1.43 -0.57 0.12 118.68 132.50 2dun s LEU 84 Ca 0.59 -1.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 2dun s LEU 84 Cb -0.12 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 2dun s LEU 84 CO 0.20 -0.90 0.12 -0.62 0.23 0.00 0.00 176.35 175.37 2dun s ASP 85 N -4.14 5.52 0.59 2.29 2.15 -1.17 -2.36 116.67 119.56 2dun s ASP 85 Ca 0.34 -0.09 0.30 0.00 0.43 0.00 0.00 52.55 53.53 2dun s ASP 85 Cb -0.01 -1.45 1.24 0.00 -0.30 0.00 0.00 42.92 42.40 2dun s ASP 85 CO 0.20 0.10 1.58 -0.29 -0.17 0.00 0.00 175.17 176.60 2dun h ILE 86 N 2.20 0.16 -0.86 4.11 6.09 -0.88 0.27 117.51 128.60 2dun h ILE 86 Ca -0.47 0.00 0.13 0.00 -1.37 0.00 0.00 64.86 63.15 2dun h ILE 86 Cb 1.19 0.27 -0.09 0.00 0.47 0.00 0.00 36.82 38.66 2dun h ILE 86 CO 0.64 0.00 0.47 -1.28 -3.07 0.00 0.00 178.15 174.91 2dun h SER 87 N 0.00 0.60 0.33 2.19 0.87 -1.93 -1.39 113.55 114.22 2dun h SER 87 Ca 0.42 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 2dun h SER 87 Cb 2.28 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 64.22 2dun h SER 87 CO -0.00 0.28 -0.16 -0.25 -0.53 0.00 0.00 176.83 176.17 2dun h TRP 88 N 0.70 -0.41 0.13 2.24 7.01 -0.85 -2.94 115.95 121.82 2dun h TRP 88 Ca 0.45 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.44 2dun h TRP 88 Cb 0.58 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 2dun h TRP 88 CO -0.07 -0.20 -0.21 1.25 -2.79 0.00 0.00 178.44 176.41 2dun h LEU 89 N -0.52 -0.61 -0.71 0.65 5.85 -1.50 -1.98 115.31 116.50 2dun h LEU 89 Ca -0.05 0.06 0.13 0.00 0.84 0.00 0.00 57.88 58.86 2dun h LEU 89 Cb 0.39 0.21 -0.13 0.00 0.37 0.00 0.00 40.66 41.50 2dun h LEU 89 CO 0.07 -0.25 -0.21 0.35 -0.34 0.00 0.00 178.44 178.06 2dun n THR 90 N -3.63 -0.32 -0.10 1.05 -2.24 -0.58 0.18 114.28 108.63 2dun n THR 90 Ca -0.04 1.63 -0.07 0.00 -2.27 0.00 0.00 64.05 63.30 2dun n THR 90 Cb 0.18 -2.22 0.00 0.00 -2.10 0.00 0.00 70.33 66.19 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 0.11 -0.78 5.08 -1.28 0.02 114.58 118.05 2dun h GLU 91 Ca 0.31 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2dun h GLU 91 Cb 0.48 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2dun h GLU 91 CO -0.72 0.21 -0.15 0.77 -1.00 0.00 0.00 179.01 178.12 2dun h SER 92 N 0.32 -0.40 -0.04 1.42 0.02 0.26 -1.07 113.55 114.06 2dun h SER 92 Ca 0.14 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2dun h SER 92 Cb 0.07 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 2dun h SER 92 CO -0.11 -0.22 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.20 2dun h LEU 93 N -0.31 -0.27 -1.48 5.07 3.38 -0.82 0.64 115.31 121.52 2dun h LEU 93 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dun h LEU 93 Cb 0.31 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2dun h LEU 93 CO -0.07 -0.13 0.00 1.23 0.09 0.00 0.00 178.44 179.57 2dun h GLY 94 N -0.14 0.00 0.00 0.83 0.00 -0.80 -0.85 103.07 102.11 2dun h GLY 94 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2dun h GLY 94 CO -0.12 0.00 -1.10 0.00 0.00 0.00 0.00 176.54 175.33 2dun n ALA 95 N -1.81 3.45 0.00 3.60 0.00 -0.30 -4.98 120.51 120.47 2dun n ALA 95 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2dun n ALA 95 Cb 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.45 2.89 3.15 0.00 0.00 0.21 -4.96 105.19 107.94 2dun n GLY 96 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 0.78 -0.37 1.61 -2.07 -1.03 -4.62 119.66 113.96 2dun s GLN 97 Ca 0.00 -1.01 -0.28 0.00 -1.82 0.00 0.00 55.36 52.25 2dun s GLN 97 Cb 0.00 -0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 31.31 2dun s GLN 97 CO 0.00 0.11 1.72 -1.25 -1.32 0.00 0.00 175.29 174.55 2dun s PRO 98 N -2.18 3.33 0.59 9.60 0.04 -1.26 -4.35 135.00 140.75 2dun s PRO 98 Ca -0.00 1.24 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 2dun s PRO 98 Cb -0.07 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2dun s PRO 98 CO 0.01 -1.87 1.09 0.14 0.04 0.00 0.00 177.00 176.41 2dun s VAL 99 N 6.75 3.47 -0.82 -0.36 -7.23 -1.26 -4.92 120.40 116.03 2dun s VAL 99 Ca 0.74 0.77 -0.25 0.00 -1.81 0.00 0.00 61.98 61.44 2dun s VAL 99 Cb -0.20 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 2dun s VAL 99 CO 0.32 -0.33 1.92 -2.16 -0.31 0.00 0.00 175.10 174.54 2dun s PRO 100 N -3.76 2.57 0.30 4.82 0.04 -1.26 -4.93 135.00 132.78 2dun s PRO 100 Ca 0.67 -0.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 2dun s PRO 100 Cb -0.19 -4.87 -0.12 0.00 0.04 0.00 0.00 34.50 29.36 2dun s PRO 100 CO 0.33 -3.19 0.07 1.55 0.04 0.00 0.00 177.00 175.80 2dun n VAL 101 N 7.69 0.50 -4.05 -0.36 3.14 -1.26 -4.98 118.33 119.01 2dun n VAL 101 Ca 0.34 -0.38 -0.19 0.00 -2.96 0.00 0.00 64.34 61.15 2dun n VAL 101 Cb 0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.25 2dun n VAL 101 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2dun n GLU 102 N 1.00 1.02 -0.06 1.45 1.02 -1.26 -5.04 120.64 118.77 2dun n GLU 102 Ca 0.08 -2.41 -0.12 0.00 -0.02 0.00 0.00 57.16 54.69 2dun n GLU 102 Cb 0.30 0.41 -0.06 0.00 -0.02 0.00 0.00 31.44 32.07 2dun n GLU 102 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dun h ARG 104 N 0.08 0.66 -0.40 0.00 3.08 -2.02 -1.95 114.38 113.82 2dun h ARG 104 Ca 0.05 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.13 2dun h ARG 104 Cb 0.47 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2dun h ARG 104 CO 0.02 0.44 0.04 0.45 -1.07 0.00 0.00 179.97 179.84 2dun h HIS 105 N 0.68 0.06 -2.58 3.04 3.86 -1.93 -3.43 115.15 114.84 2dun h HIS 105 Ca 0.38 0.03 -0.60 0.00 -1.16 0.00 0.00 60.37 59.01 2dun h HIS 105 Cb 0.38 0.04 0.12 0.00 1.06 0.00 0.00 27.41 29.02 2dun h HIS 105 CO -0.09 -0.03 0.01 0.54 0.86 0.00 0.00 177.93 179.21 2dun n ARG 106 N -5.15 1.13 -3.93 2.45 1.74 -0.73 -3.02 116.66 109.15 2dun n ARG 106 Ca 0.03 0.40 -0.31 0.00 -0.77 0.00 0.00 57.85 57.20 2dun n ARG 106 Cb 0.20 -1.81 -0.14 0.00 -1.02 0.00 0.00 32.46 29.70 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 0.48 4.45 0.04 0.55 1.43 0.32 -4.93 118.68 121.02 2dun s LEU 107 Ca 0.61 -2.92 0.00 0.00 -1.03 0.00 0.00 54.13 50.80 2dun s LEU 107 Cb -0.64 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2dun s LEU 107 CO 0.58 -0.26 -0.04 -0.70 0.23 0.00 0.00 176.35 176.16 2dun s GLU 108 N -0.15 0.50 0.41 1.70 -6.30 -1.24 -4.29 118.70 109.34 2dun s GLU 108 Ca 0.16 -0.89 0.06 0.00 -2.50 0.00 0.00 54.97 51.80 2dun s GLU 108 Cb -0.25 0.02 -0.07 0.00 0.00 0.00 0.00 34.13 33.83 2dun s GLU 108 CO -0.01 -0.04 0.01 0.54 0.02 0.00 0.00 175.26 175.78 2dun s VAL 109 N -2.37 1.83 -0.29 3.70 0.11 -1.26 -4.60 120.40 117.51 2dun s VAL 109 Ca -0.05 -2.00 -0.17 0.00 -2.93 0.00 0.00 61.98 56.83 2dun s VAL 109 Cb -0.03 -2.89 0.18 0.00 -1.53 0.00 0.00 36.38 32.11 2dun s VAL 109 CO -0.04 0.00 1.16 0.00 -3.33 0.00 0.00 175.10 172.90 2dun s ALA 110 N -2.78 -2.49 -0.89 1.54 0.00 -1.26 -5.03 121.76 110.85 2dun s ALA 110 Ca 0.32 2.04 -0.06 0.00 0.00 0.00 0.00 51.96 54.26 2dun s ALA 110 Cb 0.09 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2dun s ALA 110 CO 0.16 -0.31 0.74 0.41 0.00 0.00 0.00 175.76 176.76 2dun n GLY 111 N 3.19 -1.19 3.67 0.00 0.00 -1.26 -4.89 105.19 104.71 2dun n GLY 111 Ca -0.17 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.24 4.23 0.21 1.61 0.04 -1.26 -5.00 135.00 130.60 2dun s PRO 112 Ca 0.17 2.01 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 2dun s PRO 112 Cb -0.05 -3.74 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 2dun s PRO 112 CO 0.80 -0.70 0.33 1.03 0.04 0.00 0.00 177.00 178.50 2dun s ARG 113 N 3.14 1.34 0.03 4.56 0.52 -1.26 -5.18 118.95 122.09 2dun s ARG 113 Ca 0.66 -1.33 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 2dun s ARG 113 Cb -0.31 0.39 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 2dun s ARG 113 CO 0.26 -0.51 -0.10 -1.59 0.02 0.00 0.00 175.30 173.38 2dun s LYS 114 N -4.04 0.67 0.00 3.54 0.00 -1.26 -5.10 119.74 113.54 2dun s LYS 114 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 55.60 2dun s LYS 114 Cb 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 37.83 37.27 2dun s LYS 114 CO 0.07 0.14 0.00 0.41 0.00 0.00 0.00 175.35 175.97 2dun n GLY 115 N 1.99 -0.38 2.62 0.59 0.00 -1.26 -5.01 105.19 103.73 2dun n GLY 115 Ca -0.18 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 43.86 2dun n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dun n PRO 116 N -0.36 -2.62 -4.34 1.61 -0.04 -1.26 -5.08 135.00 122.91 2dun n PRO 116 Ca 0.00 -1.31 -0.26 0.00 -0.04 0.00 0.00 63.50 61.90 2dun n PRO 116 Cb 0.00 -1.22 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 2dun n PRO 116 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dun s LEU 117 N 0.00 2.87 0.31 1.53 1.43 -1.26 -5.08 118.68 118.47 2dun s LEU 117 Ca 0.53 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2dun s LEU 117 Cb -0.05 -1.51 -0.15 0.00 0.03 0.00 0.00 46.19 44.51 2dun s LEU 117 CO 0.41 0.08 0.22 -1.20 0.23 0.00 0.00 176.35 176.08 2dun n SER 118 N -0.19 -2.17 -0.05 2.29 7.64 -1.26 -4.88 113.62 115.00 2dun n SER 118 Ca -0.09 0.86 -0.13 0.00 1.01 0.00 0.00 58.87 60.52 2dun n SER 118 Cb 0.57 -0.85 -0.07 0.00 -1.01 0.00 0.00 64.21 62.85 2dun n SER 118 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2dun h PRO 119 N 0.52 0.31 -1.99 1.43 0.13 -2.07 -3.48 132.00 126.85 2dun h PRO 119 Ca -0.32 -0.16 0.25 0.00 -0.87 0.00 0.00 66.00 64.90 2dun h PRO 119 Cb 1.35 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 2dun h PRO 119 CO 0.47 0.70 0.66 0.00 -0.23 0.00 0.00 178.00 179.60 2dun s ALA 120 N -4.31 -1.93 0.29 -0.56 0.00 -1.26 -5.18 121.76 108.81 2dun s ALA 120 Ca -0.14 0.29 0.10 0.00 0.00 0.00 0.00 51.96 52.21 2dun s ALA 120 Cb 0.05 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 2dun s ALA 120 CO 0.74 -1.06 -0.08 -0.46 0.00 0.00 0.00 175.76 174.91 2dun s TRP 121 N -2.73 2.49 -0.27 0.00 -0.11 -1.26 -5.14 118.94 111.92 2dun s TRP 121 Ca 0.15 -0.32 -0.27 0.00 1.22 0.00 0.00 56.10 56.88 2dun s TRP 121 Cb 0.01 -1.19 0.16 0.00 -1.50 0.00 0.00 33.47 30.95 2dun s TRP 121 CO 0.00 0.62 1.25 0.00 -4.62 0.00 0.00 176.95 174.20 2dun s MET 122 N -3.62 0.27 0.70 5.86 0.23 -1.26 -5.17 119.30 116.31 2dun s MET 122 Ca 0.32 0.22 -0.13 0.00 -1.03 0.00 0.00 55.69 55.06 2dun s MET 122 Cb -0.04 0.13 0.02 0.00 -1.53 0.00 0.00 34.83 33.41 2dun s MET 122 CO 0.18 -0.05 1.10 -1.25 -2.03 0.00 0.00 175.02 172.97 2dun s PRO 123 N -0.29 2.60 0.31 3.16 0.04 -1.26 -4.93 135.00 134.64 2dun s PRO 123 Ca 0.05 1.31 0.05 0.00 0.04 0.00 0.00 61.00 62.46 2dun s PRO 123 Cb -0.04 -1.93 0.70 0.00 0.04 0.00 0.00 34.50 33.27 2dun s PRO 123 CO -0.09 -1.40 1.83 0.00 0.04 0.00 0.00 177.00 177.39 2dun h ALA 124 N -0.39 1.68 0.00 8.56 0.00 -2.06 -2.87 119.26 124.17 2dun h ALA 124 Ca -0.46 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2dun h ALA 124 Cb 1.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2dun h ALA 124 CO 0.53 0.04 -0.23 0.10 0.00 0.00 0.00 179.25 179.70 2dun h TYR 125 N 0.83 0.00 -6.28 0.00 -0.00 -2.07 -3.47 116.97 105.98 2dun h TYR 125 Ca 0.50 0.00 -0.46 0.00 -0.00 0.00 0.00 58.73 58.77 2dun h TYR 125 Cb 0.68 0.00 -0.23 0.00 -0.00 0.00 0.00 36.73 37.18 2dun h TYR 125 CO -0.00 0.83 -0.69 0.00 -0.00 0.00 0.00 178.16 178.30 2dun n ALA 126 N -2.82 -1.24 -3.90 0.10 0.00 -1.09 -4.85 120.51 106.71 2dun n ALA 126 Ca -0.11 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 2dun n ALA 126 Cb 0.41 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.39 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 0.10 5.76 0.00 0.00 0.01 -1.26 -4.88 113.70 113.42 2dun s SER 128 Ca 0.16 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2dun s SER 128 Cb -0.24 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.33 2dun s SER 128 CO -0.02 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2dun n GLY 129 N -2.32 0.76 1.49 3.44 0.00 -1.26 -5.13 105.19 102.18 2dun n GLY 129 Ca 0.03 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 2dun n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dun n PRO 130 N 0.00 -1.93 -3.64 1.61 -0.04 -1.26 -5.10 135.00 124.64 2dun n PRO 130 Ca 0.00 -0.75 -0.06 0.00 -0.04 0.00 0.00 63.50 62.66 2dun n PRO 130 Cb 0.00 -0.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 2dun n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dun s SER 131 N -2.77 -0.21 0.45 3.54 0.15 -1.26 -5.17 113.70 108.43 2dun s SER 131 Ca 0.30 0.36 -0.04 0.00 0.70 0.00 0.00 55.95 57.28 2dun s SER 131 Cb -0.03 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.60 2dun s SER 131 CO 0.23 -0.09 0.73 -0.55 1.20 0.00 0.00 173.24 174.76 2dun s SER 132 N -0.16 6.25 0.00 5.45 0.15 -1.26 -5.35 113.70 118.78 2dun s SER 132 Ca 0.05 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2dun s SER 132 Cb -0.04 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 2dun s SER 132 CO -0.10 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.43