#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 1.97 -4.63 1.61 3.41 -1.26 -4.95 113.62 109.76 2dun n SER 2 Ca 0.00 0.33 -0.29 0.00 -0.26 0.00 0.00 58.87 58.65 2dun n SER 2 Cb 0.00 -0.92 0.16 0.00 -0.26 0.00 0.00 64.21 63.19 2dun n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dun s SER 3 N -6.95 2.96 -0.38 4.04 0.01 -1.26 -5.04 113.70 107.09 2dun s SER 3 Ca -0.27 0.95 0.11 0.00 1.31 0.00 0.00 55.95 58.05 2dun s SER 3 Cb 0.06 -1.50 0.33 0.00 0.21 0.00 0.00 66.02 65.12 2dun s SER 3 CO 0.66 -2.89 0.70 0.61 0.41 0.00 0.00 173.24 172.73 2dun n GLY 4 N -1.85 3.28 3.64 3.44 0.00 -1.26 -5.11 105.19 107.33 2dun n GLY 4 Ca 0.07 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.11 4.58 -0.12 1.61 0.15 -1.26 -5.14 113.70 111.41 2dun s SER 5 Ca 0.38 -0.54 -0.19 0.00 0.70 0.00 0.00 55.95 56.30 2dun s SER 5 Cb 0.31 -0.89 0.05 0.00 -1.71 0.00 0.00 66.02 63.78 2dun s SER 5 CO -0.09 0.05 0.48 -0.55 1.20 0.00 0.00 173.24 174.33 2dun s SER 6 N -3.28 -0.46 0.17 5.45 0.15 -1.26 -5.07 113.70 109.41 2dun s SER 6 Ca 0.29 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2dun s SER 6 Cb -0.08 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2dun s SER 6 CO 0.19 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2dun n GLY 7 N 2.09 -0.46 3.01 9.45 0.00 -1.26 -5.08 105.19 112.94 2dun n GLY 7 Ca -0.16 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.20 4.04 0.53 1.61 0.15 -1.26 -5.11 113.70 109.46 2dun s SER 8 Ca 0.00 -1.22 -0.18 0.00 0.70 0.00 0.00 55.95 55.25 2dun s SER 8 Cb 0.00 -1.36 -0.14 0.00 -1.71 0.00 0.00 66.02 62.81 2dun s SER 8 CO 0.00 -0.20 -0.04 1.07 1.20 0.00 0.00 173.24 175.27 2dun n THR 9 N 4.57 0.34 -0.33 6.45 5.66 -1.26 -4.83 114.28 124.87 2dun n THR 9 Ca -0.13 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.36 2dun n THR 9 Cb 0.44 -0.10 0.12 0.00 -1.55 0.00 0.00 70.33 69.23 2dun n THR 9 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2dun h ARG 10 N -0.00 1.10 -2.94 1.09 3.08 -1.94 -3.31 114.38 111.46 2dun h ARG 10 Ca -0.42 -0.07 -0.61 0.00 0.07 0.00 0.00 59.98 58.95 2dun h ARG 10 Cb 1.44 -0.25 -0.41 0.00 0.08 0.00 0.00 29.97 30.83 2dun h ARG 10 CO 0.42 0.72 -0.68 -0.06 -1.07 0.00 0.00 179.97 179.31 2dun s PHE 11 N -6.09 2.86 0.18 3.04 0.08 -1.19 -4.94 117.98 111.93 2dun s PHE 11 Ca -0.13 -3.03 -0.06 0.00 0.12 0.00 0.00 56.93 53.83 2dun s PHE 11 Cb 0.18 -2.25 0.09 0.00 -0.57 0.00 0.00 43.02 40.47 2dun s PHE 11 CO 0.80 -0.64 1.53 -1.00 -0.10 0.00 0.00 175.22 175.81 2dun h PRO 12 N 5.64 0.74 -0.82 0.24 0.13 -1.89 -3.10 132.00 132.94 2dun h PRO 12 Ca 0.14 -0.39 0.20 0.00 -0.87 0.00 0.00 66.00 65.09 2dun h PRO 12 Cb 0.81 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.91 2dun h PRO 12 CO 0.62 1.01 0.56 0.78 -0.23 0.00 0.00 178.00 180.74 2dun h GLY 13 N 0.93 0.44 -7.59 1.56 0.00 -1.93 -3.36 103.07 93.12 2dun h GLY 13 Ca 0.05 -0.10 -0.68 0.00 0.00 0.00 0.00 47.33 46.60 2dun h GLY 13 CO 0.09 0.01 -0.52 0.54 0.00 0.00 0.00 176.54 176.65 2dun s VAL 14 N -5.22 4.81 -0.27 4.60 0.11 -1.17 -4.91 120.40 118.35 2dun s VAL 14 Ca -0.07 -0.44 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2dun s VAL 14 Cb 0.22 -3.50 0.02 0.00 -1.53 0.00 0.00 36.38 31.59 2dun s VAL 14 CO 0.77 -0.01 -0.02 0.00 -3.33 0.00 0.00 175.10 172.51 2dun s ALA 15 N 1.64 2.81 -0.08 1.54 0.00 -1.26 -4.18 121.76 122.23 2dun s ALA 15 Ca 0.05 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 2dun s ALA 15 Cb -0.18 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 2dun s ALA 15 CO 0.08 -0.90 0.40 0.42 0.00 0.00 0.00 175.76 175.76 2dun s ILE 16 N 1.36 5.16 -0.03 0.00 1.01 -0.93 -1.93 121.20 125.84 2dun s ILE 16 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2dun s ILE 16 Cb -0.17 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.57 2dun s ILE 16 CO -0.02 0.44 -0.10 -0.47 0.00 0.00 0.00 174.94 174.79 2dun s TYR 17 N -0.07 1.05 0.35 3.97 6.14 -0.41 -2.97 117.35 125.41 2dun s TYR 17 Ca 0.23 -0.27 0.07 0.00 0.64 0.00 0.00 57.07 57.74 2dun s TYR 17 Cb -0.15 -0.74 -0.01 0.00 0.42 0.00 0.00 41.96 41.48 2dun s TYR 17 CO 0.10 -0.11 0.43 -0.51 0.64 0.00 0.00 175.55 176.10 2dun s LEU 18 N 0.16 3.83 -0.03 6.97 1.43 -1.26 -0.79 118.68 128.98 2dun s LEU 18 Ca -0.03 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2dun s LEU 18 Cb -0.09 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 2dun s LEU 18 CO 0.01 -0.45 -0.02 -0.69 0.23 0.00 0.00 176.35 175.43 2dun s VAL 19 N -2.23 4.08 -0.03 -1.59 1.01 -1.24 -4.94 120.40 115.45 2dun s VAL 19 Ca 0.45 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.73 2dun s VAL 19 Cb -0.08 -2.76 -0.13 0.00 0.00 0.00 0.00 36.38 33.41 2dun s VAL 19 CO 0.30 0.47 0.85 -0.33 0.00 0.00 0.00 175.10 176.39 2dun h GLU 20 N 4.72 -0.44 0.00 2.72 5.08 -1.95 0.63 114.58 125.34 2dun h GLU 20 Ca -0.49 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2dun h GLU 20 Cb 1.18 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2dun h GLU 20 CO 0.55 -0.14 0.00 -0.35 -1.00 0.00 0.00 179.01 178.07 2dun n PRO 21 N -5.09 0.49 0.00 2.33 -0.04 -1.26 0.89 135.00 132.31 2dun n PRO 21 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2dun n PRO 21 Cb 0.25 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2dun n PRO 21 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dun n ARG 22 N -0.73 2.73 -0.06 0.54 3.00 -1.19 -4.88 116.66 116.06 2dun n ARG 22 Ca 0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.80 2dun n ARG 22 Cb 0.02 -0.90 -0.05 0.00 0.00 0.00 0.00 32.46 31.53 2dun n ARG 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2dun n MET 23 N -1.80 0.28 0.00 -0.14 1.56 0.22 -4.22 117.12 113.01 2dun n MET 23 Ca 0.00 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.52 2dun n MET 23 Cb 0.40 -1.11 0.00 0.00 2.15 0.00 0.00 33.22 34.66 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 2.65 1.73 0.12 -5.12 0.00 0.26 -4.24 105.19 100.60 2dun n GLY 24 Ca -0.22 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.45 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 0.25 0.00 1.61 0.11 -1.92 -3.21 114.38 111.22 2dun h ARG 25 Ca 0.00 -0.43 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 2dun h ARG 25 Cb 0.00 0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 2dun h ARG 25 CO 0.00 1.10 -0.26 0.77 0.10 0.00 0.00 179.97 181.68 2dun h SER 26 N 0.07 0.00 -0.47 0.08 0.02 -1.98 -3.36 113.55 107.91 2dun h SER 26 Ca -0.30 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.68 2dun h SER 26 Cb 2.03 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.48 2dun h SER 26 CO 0.14 0.67 -0.16 -0.09 -1.14 0.00 0.00 176.83 176.25 2dun h ARG 27 N -1.00 -0.05 -0.91 3.45 2.43 -1.79 -1.84 114.38 114.67 2dun h ARG 27 Ca -0.01 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.30 2dun h ARG 27 Cb 0.31 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.72 2dun h ARG 27 CO -0.01 -0.03 -0.35 -2.13 -1.51 0.00 0.00 179.97 175.94 2dun n ARG 28 N -5.37 -0.20 -0.20 0.20 0.63 -1.21 0.75 116.66 111.25 2dun n ARG 28 Ca 0.04 1.41 0.01 0.00 -0.92 0.00 0.00 57.85 58.39 2dun n ARG 28 Cb 0.28 -2.09 0.10 0.00 0.45 0.00 0.00 32.46 31.20 2dun n ARG 28 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dun h ALA 29 N 1.31 0.62 -0.38 5.13 0.00 -1.48 0.21 119.26 124.68 2dun h ALA 29 Ca 0.33 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.45 2dun h ALA 29 Cb 0.56 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2dun h ALA 29 CO -0.91 -0.38 -0.22 0.34 0.00 0.00 0.00 179.25 178.07 2dun n PHE 30 N -5.26 -0.17 -0.08 0.00 -0.00 0.23 -0.47 117.46 111.71 2dun n PHE 30 Ca 0.09 0.47 -0.12 0.00 -0.00 0.00 0.00 57.45 57.90 2dun n PHE 30 Cb 0.35 -0.53 -0.05 0.00 -0.00 0.00 0.00 39.48 39.26 2dun n PHE 30 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2dun h LEU 31 N 0.00 0.45 -0.92 -2.13 3.38 -1.45 -1.85 115.31 112.80 2dun h LEU 31 Ca 0.06 -0.36 0.16 0.00 0.09 0.00 0.00 57.88 57.84 2dun h LEU 31 Cb 0.16 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 40.62 2dun h LEU 31 CO -0.36 0.71 -0.31 0.74 0.09 0.00 0.00 178.44 179.31 2dun h THR 32 N 0.20 0.05 -0.02 0.22 2.02 0.37 0.17 112.91 115.93 2dun h THR 32 Ca 0.06 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 2dun h THR 32 Cb 0.50 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2dun h THR 32 CO 0.02 0.00 -0.53 1.23 0.37 0.00 0.00 175.52 176.61 2dun h GLY 33 N -0.02 0.44 -0.04 2.16 0.00 -0.76 -3.09 103.07 101.75 2dun h GLY 33 Ca 0.38 -0.73 0.05 0.00 0.00 0.00 0.00 47.33 47.04 2dun h GLY 33 CO -0.94 0.65 -0.39 -2.00 0.00 0.00 0.00 176.54 173.86 2dun h LEU 34 N -0.12 -1.23 0.13 3.11 5.85 -0.27 -1.94 115.31 120.84 2dun h LEU 34 Ca -0.06 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2dun h LEU 34 Cb 1.23 0.52 -0.04 0.00 0.37 0.00 0.00 40.66 42.75 2dun h LEU 34 CO 0.11 -0.39 -0.34 0.00 -0.34 0.00 0.00 178.44 177.48 2dun h ALA 35 N 0.33 -0.59 -0.97 1.25 0.00 -0.84 -1.75 119.26 116.69 2dun h ALA 35 Ca 0.11 -0.06 0.33 0.00 0.00 0.00 0.00 54.91 55.29 2dun h ALA 35 Cb 0.59 0.56 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 2dun h ALA 35 CO -0.44 -0.89 0.40 0.00 0.00 0.00 0.00 179.25 178.32 2dun h ARG 36 N -0.57 0.14 -0.46 0.00 3.08 -1.35 1.12 114.38 116.33 2dun h ARG 36 Ca 0.03 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 2dun h ARG 36 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2dun h ARG 36 CO -0.20 0.09 -0.04 0.77 -1.07 0.00 0.00 179.97 179.53 2dun h SER 37 N 0.15 0.77 0.23 7.04 0.02 -0.57 -3.19 113.55 118.00 2dun h SER 37 Ca 0.71 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 2dun h SER 37 Cb 1.66 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2dun h SER 37 CO -0.72 0.86 -0.11 0.11 -1.14 0.00 0.00 176.83 175.83 2dun h LYS 38 N 0.73 -0.30 0.00 3.45 1.79 0.17 -3.47 116.57 118.94 2dun h LYS 38 Ca 0.14 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2dun h LYS 38 Cb 0.50 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2dun h LYS 38 CO 0.03 0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.86 2dun n GLY 39 N -0.11 0.00 3.27 3.86 0.00 -0.13 -4.95 105.19 107.13 2dun n GLY 39 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 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 2.03 -0.34 1.61 0.08 -1.14 -3.16 117.98 117.06 2dun s PHE 40 Ca 0.00 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 2dun s PHE 40 Cb 0.00 -1.26 -0.00 0.00 -0.57 0.00 0.00 43.02 41.19 2dun s PHE 40 CO 0.00 0.04 0.56 0.50 -0.10 0.00 0.00 175.22 176.22 2dun s ARG 41 N -0.88 3.72 -0.20 0.44 3.52 -1.26 -3.45 118.95 120.84 2dun s ARG 41 Ca 0.09 0.01 -0.14 0.00 -0.13 0.00 0.00 55.73 55.55 2dun s ARG 41 Cb -0.09 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 2dun s ARG 41 CO 0.01 -0.63 0.33 0.08 -0.81 0.00 0.00 175.30 174.27 2dun s VAL 42 N 2.51 5.25 -0.09 7.11 1.01 -1.26 -2.19 120.40 132.74 2dun s VAL 42 Ca 0.21 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 2dun s VAL 42 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2dun s VAL 42 CO 0.13 0.29 0.53 -0.76 0.00 0.00 0.00 175.10 175.29 2dun s LEU 43 N 1.14 4.31 -0.03 3.92 1.43 -1.16 -5.00 118.68 123.29 2dun s LEU 43 Ca 0.16 0.93 -0.20 0.00 -1.03 0.00 0.00 54.13 54.00 2dun s LEU 43 Cb -0.14 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 43.17 2dun s LEU 43 CO 0.07 0.01 0.85 -0.78 0.23 0.00 0.00 176.35 176.73 2dun h ASP 44 N 6.46 -0.40 -3.48 2.29 3.58 -1.97 -3.43 116.42 119.47 2dun h ASP 44 Ca -0.42 -0.12 -0.67 0.00 0.42 0.00 0.00 57.03 56.23 2dun h ASP 44 Cb 1.19 0.10 -0.15 0.00 1.72 0.00 0.00 39.33 42.19 2dun h ASP 44 CO 0.74 0.05 -0.67 0.00 -2.88 0.00 0.00 179.24 176.48 2dun s ALA 45 N -4.13 3.16 -0.30 -0.78 0.00 -1.26 -5.02 121.76 113.43 2dun s ALA 45 Ca -0.11 -0.97 -0.38 0.00 0.00 0.00 0.00 51.96 50.50 2dun s ALA 45 Cb 0.01 -1.25 -0.14 0.00 0.00 0.00 0.00 23.12 21.74 2dun s ALA 45 CO 0.38 0.63 1.96 0.00 0.00 0.00 0.00 175.76 178.73 2dun s SER 47 N 5.27 1.18 0.41 0.00 0.01 -1.26 -5.02 113.70 114.29 2dun s SER 47 Ca 1.03 -0.65 0.24 0.00 1.31 0.00 0.00 55.95 57.89 2dun s SER 47 Cb -0.96 0.02 1.29 0.00 0.21 0.00 0.00 66.02 66.57 2dun s SER 47 CO 0.57 -0.21 1.67 0.28 0.41 0.00 0.00 173.24 175.97 2dun h SER 48 N 4.15 0.34 -0.99 2.44 0.02 -1.98 0.56 113.55 118.08 2dun h SER 48 Ca -0.37 0.13 0.19 0.00 -0.84 0.00 0.00 61.79 60.90 2dun h SER 48 Cb 1.19 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 63.72 2dun h SER 48 CO 0.45 -0.11 0.60 -0.33 -1.14 0.00 0.00 176.83 176.30 2dun h GLU 49 N 0.20 0.71 -6.03 3.45 3.07 -1.97 -3.41 114.58 110.61 2dun h GLU 49 Ca 0.74 -0.04 -0.78 0.00 -0.50 0.00 0.00 59.36 58.78 2dun h GLU 49 Cb 2.14 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.87 2dun h GLU 49 CO -0.42 0.47 1.07 0.00 -1.40 0.00 0.00 179.01 178.74 2dun n ALA 50 N -2.34 -0.18 -0.07 3.43 0.00 0.20 -4.52 120.51 117.02 2dun n ALA 50 Ca 0.23 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.86 2dun n ALA 50 Cb 0.58 -2.13 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 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 5.52 0.86 -4.74 0.00 -2.24 -0.81 -4.21 114.28 108.66 2dun n THR 51 Ca 0.40 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.52 2dun n THR 51 Cb 0.03 -0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 67.18 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 -2.30 1.68 -0.15 4.78 3.76 -0.93 0.10 115.29 122.23 2dun s HIS 52 Ca -0.15 -0.60 -0.03 0.00 -0.15 0.00 0.00 55.06 54.12 2dun s HIS 52 Cb 0.05 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 2dun s HIS 52 CO 0.41 -0.27 -0.04 0.08 -0.85 0.00 0.00 174.74 174.07 2dun s VAL 53 N 0.44 3.85 -0.31 -0.90 1.01 -0.88 -1.28 120.40 122.33 2dun s VAL 53 Ca -0.12 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 2dun s VAL 53 Cb -0.15 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2dun s VAL 53 CO 0.04 0.50 0.28 -0.69 0.00 0.00 0.00 175.10 175.23 2dun s VAL 54 N 0.33 5.24 -0.05 2.92 1.01 0.03 -1.39 120.40 128.48 2dun s VAL 54 Ca -0.04 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.09 2dun s VAL 54 Cb -0.14 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2dun s VAL 54 CO 0.03 0.07 -0.22 -0.04 0.00 0.00 0.00 175.10 174.94 2dun s MET 55 N 1.88 2.23 -0.16 2.72 -1.94 -1.02 -3.72 119.30 119.30 2dun s MET 55 Ca 0.09 -0.78 -0.05 0.00 -1.71 0.00 0.00 55.69 53.25 2dun s MET 55 Cb -0.16 -1.91 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 2dun s MET 55 CO 0.11 0.32 0.00 -2.00 -0.01 0.00 0.00 175.02 173.44 2dun s GLU 56 N -0.07 3.69 -1.25 2.03 -6.30 -1.26 -2.53 118.70 113.00 2dun s GLU 56 Ca -0.04 -0.44 -0.03 0.00 -2.50 0.00 0.00 54.97 51.96 2dun s GLU 56 Cb -0.13 -3.00 0.00 0.00 0.00 0.00 0.00 34.13 31.00 2dun s GLU 56 CO 0.03 0.32 1.05 0.39 0.02 0.00 0.00 175.26 177.07 2dun n GLU 57 N 3.34 -7.01 -5.24 4.30 1.02 -1.26 -4.87 120.64 110.91 2dun n GLU 57 Ca -0.17 0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 57.49 2dun n GLU 57 Cb 0.53 -5.86 -0.16 0.00 -0.02 0.00 0.00 31.44 25.92 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 -3.35 2.11 0.50 2.62 2.01 -1.26 -5.12 115.64 113.14 2dun s THR 58 Ca 0.19 -1.04 -0.19 0.00 0.31 0.00 0.00 61.69 60.95 2dun s THR 58 Cb -0.08 -1.77 -0.08 0.00 0.01 0.00 0.00 72.50 70.58 2dun s THR 58 CO 0.73 0.57 1.01 -0.55 -0.69 0.00 0.00 174.62 175.69 2dun s SER 59 N -0.11 6.41 0.33 3.53 0.15 -1.26 -4.85 113.70 117.90 2dun s SER 59 Ca -0.05 1.79 0.10 0.00 0.70 0.00 0.00 55.95 58.49 2dun s SER 59 Cb -0.14 -2.54 0.98 0.00 -1.71 0.00 0.00 66.02 62.60 2dun s SER 59 CO 0.04 -0.73 1.64 0.00 1.20 0.00 0.00 173.24 175.39 2dun h ALA 60 N 1.31 1.70 0.01 5.45 0.00 -1.91 -0.47 119.26 125.35 2dun h ALA 60 Ca -0.48 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2dun h ALA 60 Cb 1.21 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2dun h ALA 60 CO 0.60 -0.60 -0.09 1.05 0.00 0.00 0.00 179.25 180.21 2dun h GLU 61 N 0.20 0.04 -0.96 0.00 4.11 -1.85 -2.29 114.58 113.83 2dun h GLU 61 Ca 0.68 -0.06 0.17 0.00 0.07 0.00 0.00 59.36 60.23 2dun h GLU 61 Cb 1.55 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.64 2dun h GLU 61 CO -0.68 0.97 -0.30 0.39 0.07 0.00 0.00 179.01 179.47 2dun n GLU 62 N -4.58 -0.14 -0.18 1.06 -0.58 -0.26 0.00 120.64 115.95 2dun n GLU 62 Ca -0.10 1.49 -0.06 0.00 -0.42 0.00 0.00 57.16 58.07 2dun n GLU 62 Cb 0.49 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 2dun n GLU 62 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dun h ALA 63 N 1.67 -0.07 -0.59 0.62 0.00 -1.47 -0.53 119.26 118.88 2dun h ALA 63 Ca 0.41 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.59 2dun h ALA 63 Cb 0.65 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 19.08 2dun h ALA 63 CO -0.97 -0.68 -0.11 0.28 0.00 0.00 0.00 179.25 177.77 2dun h VAL 64 N -0.18 0.43 -0.83 0.00 2.07 -0.57 0.44 116.25 117.62 2dun h VAL 64 Ca 0.22 -0.01 0.20 0.00 0.82 0.00 0.00 66.70 67.93 2dun h VAL 64 Cb 0.54 0.40 -0.13 0.00 -1.52 0.00 0.00 31.29 30.59 2dun h VAL 64 CO -0.64 0.00 0.22 -1.28 0.02 0.00 0.00 177.57 175.90 2dun h SER 65 N 0.03 0.03 1.23 0.57 0.87 -0.83 0.73 113.55 116.17 2dun h SER 65 Ca 0.29 0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.97 2dun h SER 65 Cb 0.46 0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2dun h SER 65 CO -0.59 -0.09 -0.28 -0.25 -0.53 0.00 0.00 176.83 175.09 2dun h TRP 66 N 0.25 0.00 -0.15 2.24 7.01 -0.77 -3.13 115.95 121.41 2dun h TRP 66 Ca 0.50 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 61.34 2dun h TRP 66 Cb 0.94 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.99 2dun h TRP 66 CO -0.26 0.28 -0.56 0.37 -2.79 0.00 0.00 178.44 175.49 2dun h GLN 67 N 0.00 0.44 -0.70 2.65 4.15 0.20 -3.16 115.11 118.68 2dun h GLN 67 Ca -0.00 -0.28 0.10 0.00 0.77 0.00 0.00 58.65 59.23 2dun h GLN 67 Cb 0.97 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.62 2dun h GLN 67 CO 0.04 0.88 0.34 0.93 -1.93 0.00 0.00 178.83 179.08 2dun h GLU 68 N 0.34 0.55 -1.03 1.69 4.39 -1.04 -0.76 114.58 118.73 2dun h GLU 68 Ca 0.00 -0.03 0.26 0.00 0.34 0.00 0.00 59.36 59.93 2dun h GLU 68 Cb 1.08 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.50 2dun h GLU 68 CO 0.10 0.37 0.65 0.00 -1.16 0.00 0.00 179.01 178.97 2dun h ARG 69 N 0.57 0.43 0.90 2.33 2.47 -1.68 -1.60 114.38 117.79 2dun h ARG 69 Ca 0.35 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 59.00 2dun h ARG 69 Cb 0.38 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2dun h ARG 69 CO -0.28 0.28 -0.43 0.00 0.56 0.00 0.00 179.97 180.10 2dun h ARG 70 N 0.44 -1.16 -0.08 0.04 2.47 -1.27 -2.17 114.38 112.64 2dun h ARG 70 Ca 0.60 0.08 0.02 0.00 -1.26 0.00 0.00 59.98 59.42 2dun h ARG 70 Cb 1.43 0.26 -0.00 0.00 -1.65 0.00 0.00 29.97 30.01 2dun h ARG 70 CO -0.32 -0.77 0.32 0.52 0.56 0.00 0.00 179.97 180.27 2dun h MET 71 N -1.28 0.00 -0.03 0.04 2.86 -1.31 1.08 114.93 116.28 2dun h MET 71 Ca -0.12 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.34 2dun h MET 71 Cb 0.92 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.60 2dun h MET 71 CO 0.20 0.00 -0.66 0.00 1.06 0.00 0.00 176.91 177.51 2dun h ALA 72 N 1.44 0.13 -0.26 6.32 0.00 -0.82 -3.31 119.26 122.76 2dun h ALA 72 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2dun h ALA 72 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dun h ALA 72 CO -0.00 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2dun n ALA 73 N -2.59 3.00 -2.72 0.00 0.00 0.06 -5.00 120.51 113.26 2dun n ALA 73 Ca -0.10 -2.30 -0.31 0.00 0.00 0.00 0.00 53.44 50.73 2dun n ALA 73 Cb 0.70 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.82 3.41 0.76 0.00 0.00 0.35 -5.03 121.76 118.44 2dun s ALA 74 Ca 0.42 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2dun s ALA 74 Cb 0.34 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 22.18 2dun s ALA 74 CO 0.09 0.71 1.09 -1.25 0.00 0.00 0.00 175.76 176.40 2dun s PRO 75 N -2.16 2.29 0.49 0.00 0.04 -1.26 -4.87 135.00 129.54 2dun s PRO 75 Ca 0.26 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 2dun s PRO 75 Cb -0.12 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2dun s PRO 75 CO 0.18 -1.62 1.15 -1.25 0.04 0.00 0.00 177.00 175.50 2dun s PRO 76 N -4.84 3.62 0.00 0.56 0.04 -1.26 -3.19 135.00 129.92 2dun s PRO 76 Ca 0.62 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2dun s PRO 76 Cb -0.17 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2dun s PRO 76 CO 0.55 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2dun n GLY 77 N 0.34 2.59 3.68 0.56 0.00 -1.26 -4.97 105.19 106.13 2dun n GLY 77 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 3.12 4.04 0.41 0.00 2.01 -1.26 -4.95 115.64 119.02 2dun s THR 79 Ca 0.78 1.93 -0.25 0.00 0.31 0.00 0.00 61.69 64.46 2dun s THR 79 Cb -0.41 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 67.79 2dun s THR 79 CO 0.34 0.41 1.18 -2.16 -0.69 0.00 0.00 174.62 173.70 2dun s PRO 80 N -0.87 3.97 0.36 4.92 0.04 -1.26 -5.00 135.00 137.17 2dun s PRO 80 Ca 0.44 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2dun s PRO 80 Cb -0.27 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.56 2dun s PRO 80 CO 0.33 -0.39 1.20 -1.25 0.04 0.00 0.00 177.00 176.93 2dun s PRO 81 N -2.39 4.21 -0.23 0.56 0.04 -1.26 -4.95 135.00 130.98 2dun s PRO 81 Ca 0.59 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2dun s PRO 81 Cb -0.31 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2dun s PRO 81 CO 0.39 -0.22 1.62 0.00 0.04 0.00 0.00 177.00 178.83 2dun s ALA 82 N -1.29 3.24 -0.16 8.56 0.00 0.29 -4.76 121.76 127.64 2dun s ALA 82 Ca 0.53 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.64 2dun s ALA 82 Cb -0.34 -3.86 -0.01 0.00 0.00 0.00 0.00 23.12 18.91 2dun s ALA 82 CO 0.43 -2.00 1.23 -0.51 0.00 0.00 0.00 175.76 174.91 2dun s LEU 83 N 5.30 4.19 0.43 0.00 1.43 -1.26 -2.07 118.68 126.69 2dun s LEU 83 Ca 0.72 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.52 2dun s LEU 83 Cb -0.24 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 2dun s LEU 83 CO 0.29 -0.73 0.08 -0.76 0.23 0.00 0.00 176.35 175.47 2dun s LEU 84 N 3.30 2.12 0.50 1.79 1.43 -0.49 -1.52 118.68 125.82 2dun s LEU 84 Ca 0.54 -1.64 0.07 0.00 -1.03 0.00 0.00 54.13 52.07 2dun s LEU 84 Cb -0.21 -0.33 0.03 0.00 0.03 0.00 0.00 46.19 45.71 2dun s LEU 84 CO 0.15 -0.87 0.48 -1.81 0.23 0.00 0.00 176.35 174.52 2dun s ASP 85 N -3.68 4.90 0.40 2.29 1.01 -1.25 -2.44 116.67 117.89 2dun s ASP 85 Ca 0.20 -0.97 0.08 0.00 0.71 0.00 0.00 52.55 52.57 2dun s ASP 85 Cb 0.03 0.01 0.82 0.00 1.01 0.00 0.00 42.92 44.79 2dun s ASP 85 CO 0.11 -0.98 2.00 -0.29 0.21 0.00 0.00 175.17 176.22 2dun h ILE 86 N 0.73 1.13 -0.66 0.77 6.09 -1.87 -2.81 117.51 120.90 2dun h ILE 86 Ca -0.37 -0.43 0.14 0.00 -1.37 0.00 0.00 64.86 62.83 2dun h ILE 86 Cb 1.29 0.80 -0.12 0.00 0.47 0.00 0.00 36.82 39.25 2dun h ILE 86 CO 0.54 0.16 -0.07 -1.28 -3.07 0.00 0.00 178.15 174.42 2dun h SER 87 N 0.42 -0.44 0.23 2.19 0.87 -1.95 -0.55 113.55 114.32 2dun h SER 87 Ca 0.10 0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2dun h SER 87 Cb 0.12 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 2dun h SER 87 CO -0.01 -0.18 -0.30 -0.25 -0.53 0.00 0.00 176.83 175.56 2dun h TRP 88 N 0.06 -0.81 0.11 2.24 7.01 -1.90 -1.83 115.95 120.82 2dun h TRP 88 Ca 0.33 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.35 2dun h TRP 88 Cb 0.54 0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.90 2dun h TRP 88 CO -0.45 -0.42 -0.31 1.25 -2.79 0.00 0.00 178.44 175.71 2dun h LEU 89 N -0.59 -0.93 -0.94 0.65 5.85 -1.36 -0.97 115.31 117.02 2dun h LEU 89 Ca 0.00 0.09 0.17 0.00 0.84 0.00 0.00 57.88 58.99 2dun h LEU 89 Cb 0.57 0.34 -0.17 0.00 0.37 0.00 0.00 40.66 41.77 2dun h LEU 89 CO -0.11 -0.34 -0.31 0.71 -0.34 0.00 0.00 178.44 178.05 2dun h THR 90 N -0.47 0.04 -0.62 1.05 1.35 -1.10 1.22 112.91 114.37 2dun h THR 90 Ca -0.01 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.91 2dun h THR 90 Cb 0.46 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 66.89 2dun h THR 90 CO -0.15 0.00 0.41 -0.33 -0.25 0.00 0.00 175.52 175.20 2dun h GLU 91 N -0.01 0.60 0.10 4.72 5.08 -0.90 -1.53 114.58 122.64 2dun h GLU 91 Ca 0.39 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2dun h GLU 91 Cb 0.64 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2dun h GLU 91 CO -0.96 0.40 -0.05 0.77 -1.00 0.00 0.00 179.01 178.17 2dun h SER 92 N 0.62 -0.11 -0.38 1.42 0.02 0.28 -2.41 113.55 112.99 2dun h SER 92 Ca 0.27 -0.39 0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2dun h SER 92 Cb 0.27 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2dun h SER 92 CO -0.08 0.36 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.88 2dun h LEU 93 N -0.61 -0.19 -2.16 5.07 3.38 -0.54 0.54 115.31 120.81 2dun h LEU 93 Ca -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2dun h LEU 93 Cb 0.49 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dun h LEU 93 CO 0.02 -0.06 -0.03 1.23 0.09 0.00 0.00 178.44 179.70 2dun h GLY 94 N 0.08 0.00 0.39 0.83 0.00 -1.34 -1.83 103.07 101.21 2dun h GLY 94 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2dun h GLY 94 CO -0.32 0.00 -1.10 0.00 0.00 0.00 0.00 176.54 175.12 2dun n ALA 95 N -2.13 3.71 0.00 3.60 0.00 0.12 -4.95 120.51 120.86 2dun n ALA 95 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2dun n ALA 95 Cb 0.20 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.40 2.60 3.12 0.00 0.00 0.17 -4.95 105.19 107.53 2dun n GLY 96 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 0.69 -0.39 1.61 -2.07 -1.13 -4.65 119.66 113.72 2dun s GLN 97 Ca 0.00 -0.95 -0.28 0.00 -1.82 0.00 0.00 55.36 52.31 2dun s GLN 97 Cb 0.00 -0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 31.47 2dun s GLN 97 CO 0.00 0.08 1.73 -1.25 -1.32 0.00 0.00 175.29 174.52 2dun s PRO 98 N -2.14 3.27 0.64 9.60 0.04 -1.26 -4.48 135.00 140.66 2dun s PRO 98 Ca -0.02 1.20 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 2dun s PRO 98 Cb -0.07 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.27 2dun s PRO 98 CO 0.00 -1.94 1.15 0.14 0.04 0.00 0.00 177.00 176.39 2dun s VAL 99 N 6.94 2.95 -0.09 -0.36 -7.23 -1.26 -4.95 120.40 116.40 2dun s VAL 99 Ca 0.74 0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 61.11 2dun s VAL 99 Cb -0.19 -3.07 -0.04 0.00 0.56 0.00 0.00 36.38 33.63 2dun s VAL 99 CO 0.31 -0.22 1.52 -2.16 -0.31 0.00 0.00 175.10 174.24 2dun s PRO 100 N -3.77 4.20 0.68 4.82 0.04 -1.26 -4.97 135.00 134.74 2dun s PRO 100 Ca 0.71 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 63.59 2dun s PRO 100 Cb -0.24 -3.90 -0.09 0.00 0.04 0.00 0.00 34.50 30.31 2dun s PRO 100 CO 0.38 -0.79 0.20 0.28 0.04 0.00 0.00 177.00 177.11 2dun n VAL 101 N 5.41 1.17 -4.03 -0.36 0.31 -1.26 -5.01 118.33 114.56 2dun n VAL 101 Ca 0.16 -0.45 -0.07 0.00 -0.01 0.00 0.00 64.34 63.97 2dun n VAL 101 Cb 0.43 -0.45 -0.09 0.00 -0.91 0.00 0.00 33.84 32.82 2dun n VAL 101 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2dun s GLU 102 N -2.12 0.66 0.20 5.55 -1.05 -1.26 -5.02 118.70 115.66 2dun s GLU 102 Ca 0.61 -1.14 -0.22 0.00 -0.15 0.00 0.00 54.97 54.06 2dun s GLU 102 Cb -0.38 0.24 0.13 0.00 -0.44 0.00 0.00 34.13 33.68 2dun s GLU 102 CO 0.63 -0.15 1.56 0.00 0.95 0.00 0.00 175.26 178.24 2dun h ARG 104 N -0.05 0.56 0.11 0.00 2.47 -2.02 -1.38 114.38 114.07 2dun h ARG 104 Ca 0.27 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2dun h ARG 104 Cb 0.55 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2dun h ARG 104 CO -0.90 0.37 -0.05 0.45 0.56 0.00 0.00 179.97 180.39 2dun h HIS 105 N 0.57 -0.14 -1.70 3.04 3.86 -0.15 -3.44 115.15 117.19 2dun h HIS 105 Ca 0.57 -0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 59.10 2dun h HIS 105 Cb 0.99 0.05 0.05 0.00 1.06 0.00 0.00 27.41 29.56 2dun h HIS 105 CO -0.06 0.18 0.47 0.54 0.86 0.00 0.00 177.93 179.91 2dun n ARG 106 N -5.01 1.18 -3.56 2.45 1.74 -0.12 -3.97 116.66 109.37 2dun n ARG 106 Ca -0.09 0.43 -0.41 0.00 -0.77 0.00 0.00 57.85 57.01 2dun n ARG 106 Cb 0.20 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 29.49 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 0.52 5.75 0.12 0.55 1.43 -0.57 -4.95 118.68 121.53 2dun s LEU 107 Ca 0.84 -2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 51.63 2dun s LEU 107 Cb -0.95 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.26 2dun s LEU 107 CO 0.47 -0.60 0.19 -0.70 0.23 0.00 0.00 176.35 175.93 2dun s GLU 108 N 0.87 0.96 0.25 1.70 2.12 -0.86 -4.37 118.70 119.36 2dun s GLU 108 Ca 0.10 -1.13 0.01 0.00 0.36 0.00 0.00 54.97 54.31 2dun s GLU 108 Cb -0.22 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.45 2dun s GLU 108 CO -0.03 -0.31 0.10 0.54 -0.54 0.00 0.00 175.26 175.02 2dun s VAL 109 N -3.93 0.45 -0.29 3.70 0.11 -1.26 -4.38 120.40 114.79 2dun s VAL 109 Ca 0.12 -2.00 -0.22 0.00 -2.93 0.00 0.00 61.98 56.96 2dun s VAL 109 Cb 0.05 -2.61 0.17 0.00 -1.53 0.00 0.00 36.38 32.47 2dun s VAL 109 CO -0.05 -0.00 1.25 0.00 -3.33 0.00 0.00 175.10 172.97 2dun s ALA 110 N -3.84 -2.27 -0.95 1.54 0.00 -1.26 -5.03 121.76 109.95 2dun s ALA 110 Ca 0.38 1.85 -0.11 0.00 0.00 0.00 0.00 51.96 54.08 2dun s ALA 110 Cb 0.08 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2dun s ALA 110 CO 0.13 -0.21 0.67 0.41 0.00 0.00 0.00 175.76 176.77 2dun n GLY 111 N 2.31 -1.15 3.76 0.00 0.00 -1.26 -4.92 105.19 103.93 2dun n GLY 111 Ca -0.13 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.37 2.06 0.32 1.61 0.04 -1.26 -5.07 135.00 127.34 2dun s PRO 112 Ca 0.20 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.41 2dun s PRO 112 Cb -0.09 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2dun s PRO 112 CO 0.88 -1.76 0.31 -0.98 0.04 0.00 0.00 177.00 175.49 2dun s ARG 113 N -4.91 2.83 0.14 4.56 1.70 -1.26 -5.14 118.95 116.87 2dun s ARG 113 Ca 0.62 -1.21 -0.02 0.00 -0.47 0.00 0.00 55.73 54.65 2dun s ARG 113 Cb -0.17 -2.55 -0.04 0.00 -0.57 0.00 0.00 34.95 31.62 2dun s ARG 113 CO 0.56 0.13 0.09 0.21 -1.08 0.00 0.00 175.30 175.22 2dun s LYS 114 N -4.01 0.99 0.00 3.89 2.20 -1.26 -5.14 119.74 116.41 2dun s LYS 114 Ca 0.40 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 2dun s LYS 114 Cb -0.07 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.51 2dun s LYS 114 CO 0.27 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2dun n GLY 115 N -0.13 2.19 3.64 5.54 0.00 -1.26 -5.06 105.19 110.11 2dun n GLY 115 Ca -0.05 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.70 -0.26 -0.18 1.61 0.04 -1.26 -5.05 135.00 127.21 2dun s PRO 116 Ca 0.00 0.27 -0.03 0.00 0.04 0.00 0.00 61.00 61.28 2dun s PRO 116 Cb 0.00 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2dun s PRO 116 CO 0.00 -3.14 -0.05 -0.48 0.04 0.00 0.00 177.00 173.37 2dun s LEU 117 N -6.66 3.07 -0.04 -3.56 2.34 -1.26 -5.09 118.68 107.48 2dun s LEU 117 Ca 0.68 -0.24 -0.30 0.00 0.06 0.00 0.00 54.13 54.32 2dun s LEU 117 Cb -0.15 -1.75 0.07 0.00 -0.56 0.00 0.00 46.19 43.79 2dun s LEU 117 CO 0.57 0.10 0.66 -0.44 -1.06 0.00 0.00 176.35 176.18 2dun s SER 118 N 0.78 -0.64 -0.02 1.48 0.01 -1.26 -5.08 113.70 108.97 2dun s SER 118 Ca -0.02 0.67 -0.25 0.00 1.31 0.00 0.00 55.95 57.66 2dun s SER 118 Cb -0.15 0.54 -0.20 0.00 0.21 0.00 0.00 66.02 66.42 2dun s SER 118 CO 0.02 -0.62 1.23 1.55 0.41 0.00 0.00 173.24 175.83 2dun h PRO 119 N 2.98 -0.05 -4.63 12.44 0.13 -2.08 -3.46 132.00 137.33 2dun h PRO 119 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 2dun h PRO 119 Cb 1.15 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2dun h PRO 119 CO 0.39 0.41 -0.17 0.00 -0.23 0.00 0.00 178.00 178.41 2dun n ALA 120 N -2.37 -0.92 -2.00 -0.56 0.00 -1.26 -4.90 120.51 108.49 2dun n ALA 120 Ca -0.08 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 2dun n ALA 120 Cb 0.25 -1.03 0.11 0.00 0.00 0.00 0.00 19.45 18.78 2dun n ALA 120 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2dun s TRP 121 N -2.31 1.39 -0.02 0.00 1.48 -1.26 -5.11 118.94 113.10 2dun s TRP 121 Ca 0.04 -0.38 0.03 0.00 -1.06 0.00 0.00 56.10 54.73 2dun s TRP 121 Cb -0.02 -2.90 -0.03 0.00 -1.16 0.00 0.00 33.47 29.36 2dun s TRP 121 CO 0.05 -1.73 -0.10 -1.64 -4.06 0.00 0.00 176.95 169.46 2dun s MET 122 N -5.12 2.53 0.00 3.25 -1.94 -1.26 -5.13 119.30 111.63 2dun s MET 122 Ca 0.67 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 2dun s MET 122 Cb -0.05 -2.45 0.00 0.00 2.01 0.00 0.00 34.83 34.34 2dun s MET 122 CO 0.44 0.62 0.00 -0.35 -0.01 0.00 0.00 175.02 175.72 2dun n PRO 123 N 1.92 -0.52 0.10 2.03 -0.04 -1.26 -4.95 135.00 132.28 2dun n PRO 123 Ca -0.17 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.11 2dun n PRO 123 Cb 0.52 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.86 2dun n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dun h ALA 124 N -2.00 0.08 -0.27 0.55 0.00 -2.03 -3.27 119.26 112.32 2dun h ALA 124 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 54.91 53.91 2dun h ALA 124 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2dun h ALA 124 CO 0.00 0.85 0.22 2.48 0.00 0.00 0.00 179.25 182.79 2dun n TYR 125 N -3.65 0.85 -1.90 0.00 4.11 -1.26 -4.19 117.16 111.12 2dun n TYR 125 Ca -0.10 -1.33 -0.26 0.00 -0.00 0.00 0.00 57.90 56.21 2dun n TYR 125 Cb 1.00 -0.65 0.03 0.00 -0.00 0.00 0.00 39.34 39.72 2dun n TYR 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2dun n ALA 126 N 0.61 5.25 -3.45 -3.48 0.00 -1.24 -4.99 120.51 113.21 2dun n ALA 126 Ca 0.16 -3.74 -0.19 0.00 0.00 0.00 0.00 53.44 49.68 2dun n ALA 126 Cb 0.63 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 19.35 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 0.68 0.23 0.00 0.00 1.04 -1.26 -5.18 113.70 109.22 2dun s SER 128 Ca -0.09 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2dun s SER 128 Cb -0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2dun s SER 128 CO -0.00 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.62 2dun n GLY 129 N -0.44 3.94 3.67 7.32 0.00 -1.26 -5.16 105.19 113.26 2dun n GLY 129 Ca -0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.18 0.24 0.20 1.61 0.04 -1.26 -5.08 135.00 128.56 2dun s PRO 130 Ca 0.00 0.46 -0.23 0.00 0.04 0.00 0.00 61.00 61.26 2dun s PRO 130 Cb 0.00 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.87 2dun s PRO 130 CO 0.00 -2.85 0.86 -1.12 0.04 0.00 0.00 177.00 173.93 2dun s SER 131 N -3.47 -0.22 0.12 6.66 0.01 -1.26 -5.19 113.70 110.35 2dun s SER 131 Ca 0.66 -0.47 -0.16 0.00 1.31 0.00 0.00 55.95 57.29 2dun s SER 131 Cb -0.18 0.58 0.03 0.00 0.21 0.00 0.00 66.02 66.66 2dun s SER 131 CO 0.58 -1.07 0.39 -0.94 0.41 0.00 0.00 173.24 172.61 2dun s SER 132 N -2.92 -0.22 0.00 2.44 1.04 -1.26 -5.38 113.70 107.41 2dun s SER 132 Ca 0.11 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2dun s SER 132 Cb -0.03 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dun s SER 132 CO 0.03 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.02