#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 0.56 0.23 1.61 0.15 -1.26 -5.12 113.70 109.87 2dun s SER 2 Ca 0.00 -0.93 -0.31 0.00 0.70 0.00 0.00 55.95 55.40 2dun s SER 2 Cb 0.00 0.17 -0.11 0.00 -1.71 0.00 0.00 66.02 64.37 2dun s SER 2 CO 0.00 -0.54 1.66 -0.44 1.20 0.00 0.00 173.24 175.12 2dun s SER 3 N -2.74 6.41 -0.30 5.45 0.01 -1.26 -4.97 113.70 116.31 2dun s SER 3 Ca 0.05 2.85 -0.16 0.00 1.31 0.00 0.00 55.95 59.99 2dun s SER 3 Cb 0.05 -2.61 0.18 0.00 0.21 0.00 0.00 66.02 63.85 2dun s SER 3 CO -0.08 -0.93 1.16 -0.83 0.41 0.00 0.00 173.24 172.97 2dun s GLY 4 N 0.95 -0.08 -0.54 3.44 0.00 -1.26 -5.04 107.32 104.80 2dun s GLY 4 Ca 0.70 3.16 0.02 0.00 0.00 0.00 0.00 44.72 48.60 2dun s GLY 4 CO 0.37 3.66 1.64 -1.14 0.00 0.00 0.00 173.10 177.62 2dun n SER 5 N 5.15 6.38 -4.86 1.64 3.41 -1.26 -5.02 113.62 119.07 2dun n SER 5 Ca -0.08 -3.78 -0.32 0.00 -0.26 0.00 0.00 58.87 54.44 2dun n SER 5 Cb 0.54 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 2dun n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dun s SER 6 N -2.53 6.68 -0.41 4.04 0.15 -1.26 -5.04 113.70 115.33 2dun s SER 6 Ca 0.56 1.29 -0.01 0.00 0.70 0.00 0.00 55.95 58.49 2dun s SER 6 Cb 0.45 -2.38 0.21 0.00 -1.71 0.00 0.00 66.02 62.59 2dun s SER 6 CO -0.07 -0.33 0.97 0.61 1.20 0.00 0.00 173.24 175.62 2dun n GLY 7 N -0.85 -1.27 3.57 9.45 0.00 -1.26 -5.16 105.19 109.68 2dun n GLY 7 Ca 0.04 0.97 -0.14 0.00 0.00 0.00 0.00 46.02 46.88 2dun n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dun s SER 8 N 0.86 -0.56 -0.10 1.61 1.04 -1.26 -5.18 113.70 110.11 2dun s SER 8 Ca 0.26 0.78 -0.30 0.00 0.48 0.00 0.00 55.95 57.17 2dun s SER 8 Cb 0.09 0.68 0.08 0.00 0.10 0.00 0.00 66.02 66.97 2dun s SER 8 CO -0.09 -0.40 0.74 0.28 0.98 0.00 0.00 173.24 174.74 2dun s THR 9 N -0.69 0.00 0.16 2.02 -1.32 -1.26 -5.02 115.64 109.54 2dun s THR 9 Ca -0.04 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.27 2dun s THR 9 Cb -0.02 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.02 2dun s THR 9 CO 0.04 0.00 1.70 0.03 -2.21 0.00 0.00 174.62 174.18 2dun h ARG 10 N 3.26 0.09 -3.08 7.08 3.08 -1.94 -3.30 114.38 119.57 2dun h ARG 10 Ca -0.26 -0.01 -0.62 0.00 0.07 0.00 0.00 59.98 59.16 2dun h ARG 10 Cb 1.15 -0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.76 2dun h ARG 10 CO 0.32 0.06 -0.62 -0.06 -1.07 0.00 0.00 179.97 178.61 2dun s PHE 11 N -6.18 3.24 0.32 3.04 0.08 -1.24 -4.92 117.98 112.31 2dun s PHE 11 Ca -0.13 -3.19 0.11 0.00 0.12 0.00 0.00 56.93 53.83 2dun s PHE 11 Cb 0.13 -2.56 0.54 0.00 -0.57 0.00 0.00 43.02 40.56 2dun s PHE 11 CO 0.71 -0.61 1.72 -1.00 -0.10 0.00 0.00 175.22 175.93 2dun h PRO 12 N 5.68 0.02 -0.49 0.24 0.13 -1.91 -3.06 132.00 132.62 2dun h PRO 12 Ca 0.10 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.28 2dun h PRO 12 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 2dun h PRO 12 CO 0.68 0.50 0.33 0.78 -0.23 0.00 0.00 178.00 180.05 2dun h GLY 13 N 1.44 0.53 -7.61 1.56 0.00 -1.93 -3.38 103.07 93.68 2dun h GLY 13 Ca -0.00 -0.17 -0.68 0.00 0.00 0.00 0.00 47.33 46.47 2dun h GLY 13 CO 0.06 0.14 -0.51 0.54 0.00 0.00 0.00 176.54 176.77 2dun s VAL 14 N -5.41 4.94 -0.29 4.60 0.11 -1.16 -4.91 120.40 118.28 2dun s VAL 14 Ca -0.08 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.55 2dun s VAL 14 Cb 0.19 -3.57 0.03 0.00 -1.53 0.00 0.00 36.38 31.50 2dun s VAL 14 CO 0.74 -0.02 0.01 0.00 -3.33 0.00 0.00 175.10 172.49 2dun s ALA 15 N 1.66 2.85 0.31 1.54 0.00 -1.26 -4.39 121.76 122.47 2dun s ALA 15 Ca 0.05 -1.59 -0.07 0.00 0.00 0.00 0.00 51.96 50.35 2dun s ALA 15 Cb -0.18 -1.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.96 2dun s ALA 15 CO 0.08 -1.05 0.60 0.42 0.00 0.00 0.00 175.76 175.81 2dun s ILE 16 N 1.35 4.96 0.01 0.00 1.01 -1.16 -0.20 121.20 127.17 2dun s ILE 16 Ca -0.01 0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.88 2dun s ILE 16 Cb -0.18 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2dun s ILE 16 CO -0.01 -0.33 -0.08 -0.47 0.00 0.00 0.00 174.94 174.04 2dun s TYR 17 N -2.11 0.75 -0.03 3.97 5.04 -0.70 -2.32 117.35 121.95 2dun s TYR 17 Ca 0.46 -0.25 0.05 0.00 -2.44 0.00 0.00 57.07 54.88 2dun s TYR 17 Cb -0.11 -0.46 -0.03 0.00 0.35 0.00 0.00 41.96 41.72 2dun s TYR 17 CO 0.29 -0.02 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.81 2dun s LEU 18 N -0.68 2.62 0.63 6.97 1.43 -1.26 -1.76 118.68 126.62 2dun s LEU 18 Ca -0.01 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 2dun s LEU 18 Cb -0.05 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2dun s LEU 18 CO 0.00 0.32 1.03 -0.69 0.23 0.00 0.00 176.35 177.24 2dun s VAL 19 N -0.76 4.50 -0.02 -1.59 1.01 -1.25 -4.97 120.40 117.32 2dun s VAL 19 Ca 0.12 0.77 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2dun s VAL 19 Cb -0.10 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2dun s VAL 19 CO 0.01 -1.04 -0.02 -0.33 0.00 0.00 0.00 175.10 173.73 2dun h GLU 20 N -0.35 0.00 0.10 2.72 4.39 -1.96 -3.34 114.58 116.14 2dun h GLU 20 Ca -0.44 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.25 2dun h GLU 20 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2dun h GLU 20 CO 0.62 0.00 -0.05 -1.00 -1.16 0.00 0.00 179.01 177.42 2dun h PRO 21 N -0.13 -0.13 -0.09 2.33 0.13 -1.96 0.61 132.00 132.75 2dun h PRO 21 Ca 0.00 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2dun h PRO 21 Cb 0.05 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.16 2dun h PRO 21 CO 0.00 0.30 -0.45 0.00 -0.23 0.00 0.00 178.00 177.63 2dun h ARG 22 N -0.63 -0.48 0.15 0.86 2.47 -1.94 -3.19 114.38 111.62 2dun h ARG 22 Ca -0.01 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2dun h ARG 22 Cb 0.50 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2dun h ARG 22 CO 0.02 -0.32 -0.07 0.52 0.56 0.00 0.00 179.97 180.68 2dun h MET 23 N -0.50 -0.19 0.00 0.04 2.86 -1.69 -3.43 114.93 112.02 2dun h MET 23 Ca 0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2dun h MET 23 Cb 0.57 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2dun h MET 23 CO -0.34 0.23 0.00 0.41 1.06 0.00 0.00 176.91 178.27 2dun n GLY 24 N 0.74 3.61 0.19 8.32 0.00 0.21 -4.42 105.19 113.84 2dun n GLY 24 Ca -0.07 -1.59 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 -0.09 0.04 1.61 3.08 -1.87 0.23 114.38 117.37 2dun h ARG 25 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dun h ARG 25 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2dun h ARG 25 CO 0.00 -0.06 -0.02 0.77 -1.07 0.00 0.00 179.97 179.59 2dun h SER 26 N -0.09 -0.04 -0.45 7.04 0.02 -1.92 -3.00 113.55 115.11 2dun h SER 26 Ca 0.15 -0.64 0.08 0.00 -0.84 0.00 0.00 61.79 60.54 2dun h SER 26 Cb 0.32 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.77 2dun h SER 26 CO -0.35 0.72 -0.37 -0.09 -1.14 0.00 0.00 176.83 175.61 2dun h ARG 27 N -0.90 -0.25 0.48 3.45 9.65 -1.77 -1.76 114.38 123.27 2dun h ARG 27 Ca -0.01 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2dun h ARG 27 Cb 0.68 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.29 2dun h ARG 27 CO 0.01 -0.17 -0.51 -0.09 2.80 0.00 0.00 179.97 182.01 2dun h ARG 28 N -0.26 -0.96 -0.92 0.20 2.43 -0.68 -2.87 114.38 111.32 2dun h ARG 28 Ca 0.17 0.07 0.12 0.00 -0.81 0.00 0.00 59.98 59.53 2dun h ARG 28 Cb 0.56 0.22 -0.13 0.00 -0.42 0.00 0.00 29.97 30.19 2dun h ARG 28 CO -0.59 -0.64 -0.44 0.00 -1.51 0.00 0.00 179.97 176.80 2dun n ALA 29 N -2.82 -0.31 -0.38 2.80 0.00 -0.92 -0.30 120.51 118.59 2dun n ALA 29 Ca -0.12 0.87 -0.04 0.00 0.00 0.00 0.00 53.44 54.15 2dun n ALA 29 Cb 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2dun n ALA 29 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dun h PHE 30 N 0.00 -1.29 -0.16 0.00 3.57 -1.10 0.11 116.94 118.06 2dun h PHE 30 Ca 0.25 0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2dun h PHE 30 Cb 0.48 0.70 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 2dun h PHE 30 CO -0.87 -0.40 0.06 -0.07 -2.23 0.00 0.00 178.31 174.81 2dun h LEU 31 N -0.02 0.23 -0.44 0.59 3.38 -0.61 -2.65 115.31 115.79 2dun h LEU 31 Ca 0.29 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.13 2dun h LEU 31 Cb 0.55 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2dun h LEU 31 CO -0.95 0.33 -0.26 0.41 0.09 0.00 0.00 178.44 178.06 2dun n THR 32 N -4.86 -0.30 -0.16 0.22 -1.04 0.34 0.14 114.28 108.62 2dun n THR 32 Ca -0.04 1.73 -0.06 0.00 -2.04 0.00 0.00 64.05 63.63 2dun n THR 32 Cb 0.12 -2.20 0.03 0.00 -1.82 0.00 0.00 70.33 66.46 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 0.70 0.14 3.41 0.00 -1.46 -2.77 103.07 103.09 2dun h GLY 33 Ca 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2dun h GLY 33 CO -0.41 0.22 -0.21 -2.00 0.00 0.00 0.00 176.54 174.14 2dun h LEU 34 N 0.62 -0.60 -0.32 3.11 5.85 -0.48 -2.43 115.31 121.07 2dun h LEU 34 Ca 0.19 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.00 2dun h LEU 34 Cb -0.02 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2dun h LEU 34 CO -0.07 -0.25 -0.22 0.00 -0.34 0.00 0.00 178.44 177.56 2dun h ALA 35 N -1.30 -0.28 -0.86 1.25 0.00 -0.30 0.23 119.26 118.00 2dun h ALA 35 Ca -0.02 0.03 0.26 0.00 0.00 0.00 0.00 54.91 55.19 2dun h ALA 35 Cb 0.33 1.07 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 2dun h ALA 35 CO -0.06 -0.42 0.12 0.54 0.00 0.00 0.00 179.25 179.42 2dun n ARG 36 N -3.81 -0.06 -0.13 0.00 1.74 -0.80 0.17 116.66 113.77 2dun n ARG 36 Ca 0.00 1.26 -0.11 0.00 -0.77 0.00 0.00 57.85 58.24 2dun n ARG 36 Cb 0.11 -2.07 -0.02 0.00 -1.02 0.00 0.00 32.46 29.46 2dun n ARG 36 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2dun h SER 37 N 0.00 0.72 -0.04 0.55 0.02 -0.12 -3.20 113.55 111.48 2dun h SER 37 Ca 0.57 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2dun h SER 37 Cb 1.27 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2dun h SER 37 CO -0.78 0.90 0.02 0.11 -1.14 0.00 0.00 176.83 175.94 2dun h LYS 38 N 0.53 0.05 0.00 3.45 1.79 0.37 -3.46 116.57 119.29 2dun h LYS 38 Ca 0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2dun h LYS 38 Cb 0.56 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2dun h LYS 38 CO 0.03 0.17 0.00 0.41 -1.08 0.00 0.00 179.45 178.98 2dun n GLY 39 N -0.75 0.00 2.96 3.86 0.00 0.71 -4.84 105.19 107.14 2dun n GLY 39 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 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 1.19 -0.33 1.61 0.08 -1.03 -3.70 117.98 115.80 2dun s PHE 40 Ca 0.00 -0.43 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 2dun s PHE 40 Cb 0.00 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.53 2dun s PHE 40 CO 0.00 -0.27 0.88 0.50 -0.10 0.00 0.00 175.22 176.24 2dun s ARG 41 N 0.87 3.94 -0.09 0.44 3.52 -1.26 -1.91 118.95 124.46 2dun s ARG 41 Ca -0.11 0.67 -0.21 0.00 -0.13 0.00 0.00 55.73 55.94 2dun s ARG 41 Cb -0.15 -3.76 -0.04 0.00 -1.56 0.00 0.00 34.95 29.45 2dun s ARG 41 CO 0.01 -0.81 0.59 0.08 -0.81 0.00 0.00 175.30 174.37 2dun s VAL 42 N 3.25 5.11 0.09 7.11 1.01 -1.26 -2.97 120.40 132.74 2dun s VAL 42 Ca 0.36 1.21 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 2dun s VAL 42 Cb -0.13 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2dun s VAL 42 CO 0.15 0.29 0.48 -0.76 0.00 0.00 0.00 175.10 175.27 2dun s LEU 43 N 0.69 4.39 -0.15 3.92 1.43 -0.98 -4.97 118.68 123.00 2dun s LEU 43 Ca 0.32 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 2dun s LEU 43 Cb -0.17 -3.02 0.40 0.00 0.03 0.00 0.00 46.19 43.43 2dun s LEU 43 CO 0.14 0.18 1.23 0.47 0.23 0.00 0.00 176.35 178.61 2dun n ASP 44 N 1.12 3.40 -3.12 2.29 8.00 -1.26 -4.55 116.55 122.43 2dun n ASP 44 Ca -0.08 -2.57 -0.01 0.00 0.71 0.00 0.00 54.79 52.84 2dun n ASP 44 Cb 0.52 -0.62 0.02 0.00 -0.02 0.00 0.00 41.12 41.02 2dun n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dun n ALA 45 N 0.13 -2.55 -3.75 2.24 0.00 -1.26 -5.10 120.51 110.22 2dun n ALA 45 Ca 0.19 -0.84 -0.33 0.00 0.00 0.00 0.00 53.44 52.45 2dun n ALA 45 Cb 0.84 0.40 -0.09 0.00 0.00 0.00 0.00 19.45 20.59 2dun n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dun s SER 47 N -0.43 4.45 0.31 0.00 0.01 -1.26 -4.99 113.70 111.79 2dun s SER 47 Ca 0.24 -1.34 0.07 0.00 1.31 0.00 0.00 55.95 56.23 2dun s SER 47 Cb -0.10 0.32 0.82 0.00 0.21 0.00 0.00 66.02 67.27 2dun s SER 47 CO -0.11 -0.95 1.72 0.77 0.41 0.00 0.00 173.24 175.08 2dun h SER 48 N 1.03 0.56 -0.88 2.44 4.64 -1.97 0.89 113.55 120.26 2dun h SER 48 Ca -0.40 0.14 0.22 0.00 -0.47 0.00 0.00 61.79 61.29 2dun h SER 48 Cb 1.30 0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 63.32 2dun h SER 48 CO 0.64 0.08 0.32 -0.33 -0.87 0.00 0.00 176.83 176.66 2dun h GLU 49 N 0.53 0.30 -6.06 4.77 3.07 -1.95 -3.40 114.58 111.84 2dun h GLU 49 Ca 0.61 -0.02 -0.69 0.00 -0.50 0.00 0.00 59.36 58.76 2dun h GLU 49 Cb 1.14 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 2dun h GLU 49 CO -0.49 0.20 1.24 0.00 -1.40 0.00 0.00 179.01 178.56 2dun n ALA 50 N -2.59 0.63 -0.09 3.43 0.00 0.30 -4.37 120.51 117.84 2dun n ALA 50 Ca 0.21 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.68 2dun n ALA 50 Cb 0.66 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.54 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 6.23 1.40 -4.00 0.00 -2.24 0.71 -4.58 114.28 111.81 2dun n THR 51 Ca 0.37 -0.85 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 2dun n THR 51 Cb 0.18 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.52 0.33 -0.08 4.78 3.76 -1.04 -3.49 115.29 117.04 2dun s HIS 52 Ca -0.09 -0.54 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 2dun s HIS 52 Cb 0.06 -0.23 0.00 0.00 1.11 0.00 0.00 32.58 33.53 2dun s HIS 52 CO 0.83 -0.18 -0.18 0.08 -0.85 0.00 0.00 174.74 174.44 2dun s VAL 53 N -1.52 1.60 -0.18 -0.90 1.01 -1.00 -1.72 120.40 117.69 2dun s VAL 53 Ca -0.14 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2dun s VAL 53 Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 2dun s VAL 53 CO -0.01 0.46 0.05 -0.69 0.00 0.00 0.00 175.10 174.90 2dun s VAL 54 N 0.40 4.61 -0.03 2.92 1.01 -0.72 -0.65 120.40 127.94 2dun s VAL 54 Ca -0.14 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2dun s VAL 54 Cb -0.16 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2dun s VAL 54 CO 0.06 0.46 -0.01 -0.04 0.00 0.00 0.00 175.10 175.57 2dun s MET 55 N 0.46 0.34 0.02 2.72 -1.94 -1.04 -3.97 119.30 115.89 2dun s MET 55 Ca 0.02 0.04 -0.07 0.00 -1.71 0.00 0.00 55.69 53.97 2dun s MET 55 Cb -0.13 -0.49 -0.05 0.00 2.01 0.00 0.00 34.83 36.18 2dun s MET 55 CO 0.01 -0.11 0.29 -2.00 -0.01 0.00 0.00 175.02 173.20 2dun s GLU 56 N 0.89 3.62 -1.53 2.03 2.12 -1.26 -2.08 118.70 122.48 2dun s GLU 56 Ca -0.09 -0.02 -0.14 0.00 0.36 0.00 0.00 54.97 55.08 2dun s GLU 56 Cb -0.13 -3.07 0.10 0.00 0.26 0.00 0.00 34.13 31.29 2dun s GLU 56 CO -0.01 0.64 0.81 0.39 -0.54 0.00 0.00 175.26 176.54 2dun n GLU 57 N 1.13 -4.35 -5.24 4.30 -0.58 -1.26 -4.73 120.64 109.90 2dun n GLU 57 Ca -0.11 0.52 -0.31 0.00 -0.42 0.00 0.00 57.16 56.83 2dun n GLU 57 Cb 0.53 -5.32 -0.16 0.00 -0.57 0.00 0.00 31.44 25.91 2dun n GLU 57 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2dun s THR 58 N -3.20 2.14 0.79 2.62 2.01 -1.26 -5.13 115.64 113.61 2dun s THR 58 Ca 0.62 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 2dun s THR 58 Cb -0.32 -1.77 0.15 0.00 0.01 0.00 0.00 72.50 70.56 2dun s THR 58 CO 0.76 0.57 1.08 -0.94 -0.69 0.00 0.00 174.62 175.41 2dun s SER 59 N -0.27 4.00 0.08 3.53 1.04 -1.26 -4.92 113.70 115.90 2dun s SER 59 Ca -0.00 -0.22 -0.20 0.00 0.48 0.00 0.00 55.95 56.00 2dun s SER 59 Cb -0.13 -0.05 -0.10 0.00 0.10 0.00 0.00 66.02 65.84 2dun s SER 59 CO 0.03 -2.11 1.54 0.00 0.98 0.00 0.00 173.24 173.68 2dun h ALA 60 N -0.83 0.27 0.14 5.32 0.00 -1.89 -2.52 119.26 119.75 2dun h ALA 60 Ca -0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2dun h ALA 60 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dun h ALA 60 CO 0.39 -0.05 -0.07 1.05 0.00 0.00 0.00 179.25 180.57 2dun h GLU 61 N 0.12 -0.18 -0.65 0.00 4.11 -1.87 -3.02 114.58 113.09 2dun h GLU 61 Ca 0.06 0.01 0.13 0.00 0.07 0.00 0.00 59.36 59.63 2dun h GLU 61 Cb 0.33 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 2dun h GLU 61 CO 0.00 0.14 -0.22 1.49 0.07 0.00 0.00 179.01 180.50 2dun h GLU 62 N -0.52 -0.05 -0.25 1.06 4.81 -1.95 -1.67 114.58 116.00 2dun h GLU 62 Ca -0.02 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2dun h GLU 62 Cb 0.41 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 2dun h GLU 62 CO 0.03 -0.03 -0.52 0.00 -0.73 0.00 0.00 179.01 177.76 2dun h ALA 63 N 1.47 -0.82 -0.78 2.92 0.00 -1.45 -0.81 119.26 119.80 2dun h ALA 63 Ca 0.30 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.36 2dun h ALA 63 Cb 0.51 1.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.22 2dun h ALA 63 CO -0.69 -1.04 0.10 0.28 0.00 0.00 0.00 179.25 177.90 2dun h VAL 64 N -0.46 0.37 -0.06 0.00 2.07 -1.30 0.22 116.25 117.09 2dun h VAL 64 Ca 0.05 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2dun h VAL 64 Cb 0.60 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2dun h VAL 64 CO -0.49 0.03 -0.25 -1.28 0.02 0.00 0.00 177.57 175.60 2dun h SER 65 N 0.16 -0.77 0.32 0.57 0.87 -0.60 0.50 113.55 114.61 2dun h SER 65 Ca 0.45 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 61.07 2dun h SER 65 Cb 0.81 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2dun h SER 65 CO -0.63 -0.31 -0.22 -0.25 -0.53 0.00 0.00 176.83 174.88 2dun h TRP 66 N -0.36 0.00 -0.45 2.24 7.01 -0.29 -2.62 115.95 121.47 2dun h TRP 66 Ca 0.08 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.94 2dun h TRP 66 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 2dun h TRP 66 CO -0.32 0.22 -0.27 0.37 -2.79 0.00 0.00 178.44 175.66 2dun h GLN 67 N 0.00 0.98 -0.47 2.65 4.15 0.76 -3.05 115.11 120.13 2dun h GLN 67 Ca -0.00 -0.45 -0.08 0.00 0.77 0.00 0.00 58.65 58.89 2dun h GLN 67 Cb 0.45 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2dun h GLN 67 CO 0.03 1.12 -0.02 0.93 -1.93 0.00 0.00 178.83 178.96 2dun h GLU 68 N 0.83 0.79 -0.10 1.69 4.39 -0.59 -1.60 114.58 119.98 2dun h GLU 68 Ca 0.10 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2dun h GLU 68 Cb 0.86 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.37 2dun h GLU 68 CO 0.08 0.81 -0.39 0.00 -1.16 0.00 0.00 179.01 178.34 2dun h ARG 69 N 0.73 -0.40 0.40 2.33 2.47 -1.40 0.52 114.38 119.04 2dun h ARG 69 Ca 0.14 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.87 2dun h ARG 69 Cb 0.47 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2dun h ARG 69 CO 0.02 -0.27 -0.19 0.00 0.56 0.00 0.00 179.97 180.09 2dun h ARG 70 N -0.41 -0.52 -1.72 0.04 3.08 -1.61 -2.93 114.38 110.31 2dun h ARG 70 Ca 0.02 0.04 0.50 0.00 0.07 0.00 0.00 59.98 60.61 2dun h ARG 70 Cb 0.49 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 2dun h ARG 70 CO -0.32 -0.21 1.29 0.52 -1.07 0.00 0.00 179.97 180.18 2dun h MET 71 N -0.88 0.00 0.25 0.04 2.86 -1.21 0.54 114.93 116.53 2dun h MET 71 Ca -0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2dun h MET 71 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2dun h MET 71 CO 0.09 0.00 -0.12 0.00 1.06 0.00 0.00 176.91 177.94 2dun h ALA 72 N 1.04 -0.34 -0.15 6.32 0.00 -0.70 -3.14 119.26 122.29 2dun h ALA 72 Ca 0.82 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2dun h ALA 72 Cb 3.38 0.13 0.00 0.00 0.00 0.00 0.00 17.79 21.31 2dun h ALA 72 CO -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.80 2dun n ALA 73 N -2.54 2.50 -1.53 0.00 0.00 0.12 -4.90 120.51 114.17 2dun n ALA 73 Ca -0.09 -0.31 -0.32 0.00 0.00 0.00 0.00 53.44 52.73 2dun n ALA 73 Cb 0.26 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.81 2.58 0.87 0.00 0.00 0.14 -5.03 121.76 118.52 2dun s ALA 74 Ca 0.17 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2dun s ALA 74 Cb 0.09 -3.24 0.11 0.00 0.00 0.00 0.00 23.12 20.08 2dun s ALA 74 CO 0.12 -1.21 1.09 -1.25 0.00 0.00 0.00 175.76 174.52 2dun s PRO 75 N -4.56 1.46 0.15 0.00 0.04 -1.26 -4.98 135.00 125.84 2dun s PRO 75 Ca 0.62 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 2dun s PRO 75 Cb -0.16 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 2dun s PRO 75 CO 0.47 -2.12 1.34 -1.25 0.04 0.00 0.00 177.00 175.48 2dun s PRO 76 N -4.93 4.36 0.00 0.56 0.04 -1.26 -2.78 135.00 130.99 2dun s PRO 76 Ca 0.63 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2dun s PRO 76 Cb -0.18 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2dun s PRO 76 CO 0.57 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.68 2dun n GLY 77 N 2.98 1.93 3.75 0.56 0.00 -1.26 -5.04 105.19 108.11 2dun n GLY 77 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.09 4.66 -0.08 0.00 2.01 -1.26 -5.02 115.64 115.86 2dun s THR 79 Ca 0.59 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 2dun s THR 79 Cb -0.43 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2dun s THR 79 CO 0.45 0.60 1.51 -2.16 -0.69 0.00 0.00 174.62 174.33 2dun s PRO 80 N -0.81 4.21 0.97 4.92 0.04 -1.26 -4.76 135.00 138.31 2dun s PRO 80 Ca 0.13 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 63.06 2dun s PRO 80 Cb -0.12 -3.87 0.17 0.00 0.04 0.00 0.00 34.50 30.73 2dun s PRO 80 CO 0.03 -0.77 1.09 -1.25 0.04 0.00 0.00 177.00 176.14 2dun s PRO 81 N 3.66 0.64 -0.45 0.56 0.04 -1.26 -4.98 135.00 133.21 2dun s PRO 81 Ca 0.67 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 62.06 2dun s PRO 81 Cb -0.30 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dun s PRO 81 CO 0.25 -2.61 0.88 0.00 0.04 0.00 0.00 177.00 175.56 2dun s ALA 82 N -2.95 3.27 -0.19 8.56 0.00 -1.23 -4.94 121.76 124.29 2dun s ALA 82 Ca 0.65 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 2dun s ALA 82 Cb -0.18 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 2dun s ALA 82 CO 0.57 -1.97 1.59 -0.51 0.00 0.00 0.00 175.76 175.45 2dun s LEU 83 N 3.57 4.00 0.42 0.00 1.43 -1.26 -2.36 118.68 124.48 2dun s LEU 83 Ca 0.35 1.74 0.06 0.00 -1.03 0.00 0.00 54.13 55.24 2dun s LEU 83 Cb -0.11 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 2dun s LEU 83 CO 0.24 -1.15 0.01 -0.76 0.23 0.00 0.00 176.35 174.92 2dun s LEU 84 N 4.83 2.78 0.08 1.79 1.43 0.18 0.21 118.68 129.98 2dun s LEU 84 Ca 0.70 -1.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.43 2dun s LEU 84 Cb -0.26 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 2dun s LEU 84 CO 0.28 -0.51 0.03 -0.62 0.23 0.00 0.00 176.35 175.76 2dun s ASP 85 N -3.73 5.22 0.36 2.29 2.15 -1.23 -2.49 116.67 119.24 2dun s ASP 85 Ca 0.31 -0.11 0.27 0.00 0.43 0.00 0.00 52.55 53.45 2dun s ASP 85 Cb 0.09 -1.31 1.23 0.00 -0.30 0.00 0.00 42.92 42.63 2dun s ASP 85 CO 0.16 0.18 1.28 0.00 -0.17 0.00 0.00 175.17 176.62 2dun n ILE 86 N 0.57 -0.20 -0.32 4.11 0.13 -0.89 0.35 119.36 123.11 2dun n ILE 86 Ca -0.10 1.47 0.08 0.00 -1.10 0.00 0.00 62.75 63.10 2dun n ILE 86 Cb 0.52 -2.42 0.19 0.00 -0.84 0.00 0.00 39.64 37.09 2dun n ILE 86 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 2dun h SER 87 N 0.00 -0.63 0.57 9.51 0.87 -1.93 0.30 113.55 122.24 2dun h SER 87 Ca 0.72 0.26 -0.03 0.00 -1.23 0.00 0.00 61.79 61.52 2dun h SER 87 Cb 2.34 0.50 0.01 0.00 -0.44 0.00 0.00 62.40 64.81 2dun h SER 87 CO -0.37 -0.30 -0.28 -0.25 -0.53 0.00 0.00 176.83 175.10 2dun h TRP 88 N 0.02 -0.72 0.41 2.24 7.01 -0.50 -2.52 115.95 121.89 2dun h TRP 88 Ca 0.49 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.46 2dun h TRP 88 Cb 0.87 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.16 2dun h TRP 88 CO -0.59 -0.44 -0.39 1.25 -2.79 0.00 0.00 178.44 175.48 2dun h LEU 89 N -0.77 -1.08 -0.87 0.65 5.85 -1.04 -1.74 115.31 116.32 2dun h LEU 89 Ca -0.08 0.08 0.13 0.00 0.84 0.00 0.00 57.88 58.85 2dun h LEU 89 Cb 0.59 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 2dun h LEU 89 CO 0.13 -0.53 -0.37 0.35 -0.34 0.00 0.00 178.44 177.68 2dun n THR 90 N -4.80 -0.48 -0.03 1.05 -2.24 0.84 0.23 114.28 108.86 2dun n THR 90 Ca -0.10 2.06 0.07 0.00 -2.27 0.00 0.00 64.05 63.81 2dun n THR 90 Cb 0.36 -2.69 0.45 0.00 -2.10 0.00 0.00 70.33 66.35 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 0.49 -0.14 -0.78 4.39 -1.23 -1.69 114.58 115.62 2dun h GLU 91 Ca 0.28 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 2dun h GLU 91 Cb 0.50 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2dun h GLU 91 CO -0.86 0.33 -0.24 0.77 -1.16 0.00 0.00 179.01 177.85 2dun h SER 92 N 0.51 0.45 0.59 1.42 0.02 0.38 -2.66 113.55 114.26 2dun h SER 92 Ca 0.19 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2dun h SER 92 Cb 0.14 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2dun h SER 92 CO -0.05 0.91 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.12 2dun h LEU 93 N 0.02 -0.89 -1.28 5.07 3.38 0.07 0.39 115.31 122.07 2dun h LEU 93 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dun h LEU 93 Cb 0.82 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2dun h LEU 93 CO 0.05 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.64 2dun n GLY 94 N -1.49 -0.88 0.01 0.83 0.00 -0.69 -0.83 105.19 102.13 2dun n GLY 94 Ca -0.13 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.18 2dun n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dun n ALA 95 N -1.76 3.65 -0.09 4.61 0.00 -0.66 -4.97 120.51 121.30 2dun n ALA 95 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2dun n ALA 95 Cb 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.38 2.30 3.12 0.00 0.00 0.13 -4.96 105.19 107.16 2dun n GLY 96 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 0.69 -0.40 1.61 -2.07 -1.04 -4.51 119.66 113.92 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 0.07 1.73 -1.25 -1.32 0.00 0.00 175.29 174.52 2dun s PRO 98 N -2.12 3.26 0.56 9.60 0.04 -1.26 -4.40 135.00 140.69 2dun s PRO 98 Ca -0.03 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 2dun s PRO 98 Cb -0.07 -4.19 -0.05 0.00 0.04 0.00 0.00 34.50 30.23 2dun s PRO 98 CO 0.00 -1.95 1.13 0.14 0.04 0.00 0.00 177.00 176.36 2dun s VAL 99 N 6.96 3.17 -0.63 -0.36 -7.23 -1.26 -4.92 120.40 116.11 2dun s VAL 99 Ca 0.74 0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 61.33 2dun s VAL 99 Cb -0.19 -3.25 -0.02 0.00 0.56 0.00 0.00 36.38 33.47 2dun s VAL 99 CO 0.31 -0.19 1.87 -2.16 -0.31 0.00 0.00 175.10 174.62 2dun s PRO 100 N -3.43 2.61 0.42 4.82 0.04 -1.26 -4.94 135.00 133.26 2dun s PRO 100 Ca 0.72 0.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 2dun s PRO 100 Cb -0.23 -4.45 -0.15 0.00 0.04 0.00 0.00 34.50 29.71 2dun s PRO 100 CO 0.30 -2.79 0.09 1.55 0.04 0.00 0.00 177.00 176.18 2dun n VAL 101 N 7.27 0.64 -4.59 -0.36 3.14 -1.26 -4.99 118.33 118.19 2dun n VAL 101 Ca 0.22 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.83 2dun n VAL 101 Cb 0.52 -0.04 -0.11 0.00 -1.06 0.00 0.00 33.84 33.15 2dun n VAL 101 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2dun s GLU 102 N -1.05 1.90 0.35 1.45 0.41 -1.26 -5.00 118.70 115.49 2dun s GLU 102 Ca 0.59 -2.04 0.08 0.00 -0.41 0.00 0.00 54.97 53.19 2dun s GLU 102 Cb -0.61 -1.62 0.78 0.00 -1.78 0.00 0.00 34.13 30.89 2dun s GLU 102 CO 0.63 0.01 1.89 0.00 -0.49 0.00 0.00 175.26 177.30 2dun h ARG 104 N 0.73 0.01 0.19 0.00 0.11 -2.01 -3.14 114.38 110.26 2dun h ARG 104 Ca 0.41 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.48 2dun h ARG 104 Cb 0.58 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2dun h ARG 104 CO -0.18 0.37 -0.09 0.45 0.10 0.00 0.00 179.97 180.62 2dun h HIS 105 N 0.01 -0.24 -1.85 4.08 3.86 -1.24 -3.45 115.15 116.32 2dun h HIS 105 Ca -0.00 -0.01 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 2dun h HIS 105 Cb 0.65 0.08 0.14 0.00 1.06 0.00 0.00 27.41 29.33 2dun h HIS 105 CO 0.00 0.13 -0.55 0.54 0.86 0.00 0.00 177.93 178.91 2dun n ARG 106 N -5.03 0.34 -3.87 2.45 1.74 -0.99 -3.55 116.66 107.75 2dun n ARG 106 Ca -0.09 0.12 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 2dun n ARG 106 Cb 0.24 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 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 2.70 5.02 0.03 0.55 1.43 0.55 -4.91 118.68 124.05 2dun s LEU 107 Ca 0.62 -2.22 -0.13 0.00 -1.03 0.00 0.00 54.13 51.37 2dun s LEU 107 Cb -0.70 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 43.79 2dun s LEU 107 CO 0.59 -0.45 0.28 -0.70 0.23 0.00 0.00 176.35 176.30 2dun s GLU 108 N 0.85 0.75 0.29 1.70 2.12 -1.15 -4.25 118.70 119.01 2dun s GLU 108 Ca 0.11 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.00 2dun s GLU 108 Cb -0.21 0.32 -0.06 0.00 0.26 0.00 0.00 34.13 34.44 2dun s GLU 108 CO -0.05 -0.23 0.02 0.54 -0.54 0.00 0.00 175.26 175.00 2dun s VAL 109 N -2.31 1.21 -0.30 3.70 0.11 -1.26 -4.43 120.40 117.12 2dun s VAL 109 Ca -0.07 -2.03 -0.13 0.00 -2.93 0.00 0.00 61.98 56.82 2dun s VAL 109 Cb -0.02 -2.59 0.17 0.00 -1.53 0.00 0.00 36.38 32.41 2dun s VAL 109 CO -0.02 -0.15 0.98 0.00 -3.33 0.00 0.00 175.10 172.57 2dun s ALA 110 N -3.29 -2.90 -0.65 1.54 0.00 -1.26 -5.01 121.76 110.19 2dun s ALA 110 Ca 0.33 1.83 -0.04 0.00 0.00 0.00 0.00 51.96 54.09 2dun s ALA 110 Cb 0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2dun s ALA 110 CO 0.13 -1.15 0.57 0.41 0.00 0.00 0.00 175.76 175.72 2dun n GLY 111 N 5.17 -0.36 3.71 0.00 0.00 -1.26 -4.96 105.19 107.49 2dun n GLY 111 Ca -0.08 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.87 4.33 -0.74 1.61 0.04 -1.26 -4.99 135.00 130.12 2dun s PRO 112 Ca 0.28 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 2dun s PRO 112 Cb -0.04 -3.28 0.19 0.00 0.04 0.00 0.00 34.50 31.42 2dun s PRO 112 CO 0.46 -0.43 0.63 1.03 0.04 0.00 0.00 177.00 178.73 2dun s ARG 113 N 1.19 3.18 -0.05 4.56 1.81 -1.26 -5.04 118.95 123.34 2dun s ARG 113 Ca 0.64 -2.45 0.06 0.00 -1.72 0.00 0.00 55.73 52.25 2dun s ARG 113 Cb -0.36 -4.16 -0.02 0.00 -0.45 0.00 0.00 34.95 29.97 2dun s ARG 113 CO 0.30 -1.25 -0.22 0.21 -0.68 0.00 0.00 175.30 173.67 2dun s LYS 114 N 0.14 2.42 0.00 3.54 2.36 -1.26 -5.00 119.74 121.93 2dun s LYS 114 Ca 0.17 -0.84 0.00 0.00 -2.55 0.00 0.00 55.97 52.75 2dun s LYS 114 Cb -0.15 -2.21 0.00 0.00 -1.05 0.00 0.00 37.83 34.43 2dun s LYS 114 CO -0.06 0.51 0.00 0.41 1.55 0.00 0.00 175.35 177.76 2dun n GLY 115 N 2.60 -1.43 3.58 5.54 0.00 -1.26 -5.18 105.19 109.05 2dun n GLY 115 Ca -0.17 0.52 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.50 -0.23 1.61 0.04 -1.26 -4.96 135.00 128.70 2dun s PRO 116 Ca 0.00 -0.16 0.14 0.00 0.04 0.00 0.00 61.00 61.02 2dun s PRO 116 Cb 0.00 -1.57 0.78 0.00 0.04 0.00 0.00 34.50 33.75 2dun s PRO 116 CO 0.00 -3.87 1.70 1.47 0.04 0.00 0.00 177.00 176.34 2dun n LEU 117 N -4.86 5.48 -3.70 -3.56 -0.00 -1.26 -4.94 117.00 104.16 2dun n LEU 117 Ca 0.15 -2.95 -0.13 0.00 -0.00 0.00 0.00 56.01 53.07 2dun n LEU 117 Cb 0.60 -0.67 -0.07 0.00 -0.00 0.00 0.00 43.42 43.28 2dun n LEU 117 CO 0.43 0.64 0.11 -0.44 -0.00 0.00 0.00 177.39 178.12 2dun s SER 118 N -0.97 -0.24 0.03 1.45 0.01 -1.26 -5.07 113.70 107.65 2dun s SER 118 Ca 0.53 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.57 2dun s SER 118 Cb 0.41 0.39 -0.16 0.00 0.21 0.00 0.00 66.02 66.87 2dun s SER 118 CO 0.15 -0.61 1.33 1.55 0.41 0.00 0.00 173.24 176.07 2dun h PRO 119 N 3.23 0.28 -2.32 12.44 0.13 -2.04 -3.49 132.00 140.23 2dun h PRO 119 Ca -0.31 -0.14 0.20 0.00 -0.87 0.00 0.00 66.00 64.88 2dun h PRO 119 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2dun h PRO 119 CO 0.43 0.68 0.62 0.00 -0.23 0.00 0.00 178.00 179.50 2dun s ALA 120 N -4.30 -1.77 0.28 -0.56 0.00 -1.26 -5.13 121.76 109.02 2dun s ALA 120 Ca -0.15 -0.06 0.12 0.00 0.00 0.00 0.00 51.96 51.87 2dun s ALA 120 Cb 0.04 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2dun s ALA 120 CO 0.74 -1.07 -0.19 -0.46 0.00 0.00 0.00 175.76 174.78 2dun s TRP 121 N -2.47 2.26 -0.26 0.00 -0.11 -1.26 -5.15 118.94 111.95 2dun s TRP 121 Ca 0.19 -0.35 -0.27 0.00 1.22 0.00 0.00 56.10 56.90 2dun s TRP 121 Cb -0.01 -1.00 0.15 0.00 -1.50 0.00 0.00 33.47 31.11 2dun s TRP 121 CO 0.03 0.69 1.19 0.00 -4.62 0.00 0.00 176.95 174.24 2dun s MET 122 N -3.52 0.34 0.93 5.86 0.23 -1.26 -5.18 119.30 116.70 2dun s MET 122 Ca 0.30 0.28 -0.16 0.00 -1.03 0.00 0.00 55.69 55.08 2dun s MET 122 Cb -0.04 0.16 0.23 0.00 -1.53 0.00 0.00 34.83 33.65 2dun s MET 122 CO 0.15 -0.06 0.83 -0.35 -2.03 0.00 0.00 175.02 173.55 2dun n PRO 123 N 1.53 -2.65 -0.05 3.16 -0.04 -1.26 -5.02 135.00 130.67 2dun n PRO 123 Ca -0.10 -1.32 -0.04 0.00 -0.04 0.00 0.00 63.50 61.99 2dun n PRO 123 Cb 0.57 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 2dun n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dun n ALA 124 N -4.43 1.80 -0.17 0.55 0.00 -1.26 -4.54 120.51 112.46 2dun n ALA 124 Ca -0.16 -0.65 -0.10 0.00 0.00 0.00 0.00 53.44 52.54 2dun n ALA 124 Cb 0.45 -0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.95 2dun n ALA 124 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2dun n TYR 125 N -2.34 1.11 -2.49 0.00 4.11 -1.26 -4.83 117.16 111.46 2dun n TYR 125 Ca -0.16 -1.26 -0.39 0.00 -0.00 0.00 0.00 57.90 56.09 2dun n TYR 125 Cb 0.79 -0.63 -0.03 0.00 -0.00 0.00 0.00 39.34 39.47 2dun n TYR 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2dun s ALA 126 N -1.24 2.59 0.04 -3.48 0.00 -1.26 -4.89 121.76 113.52 2dun s ALA 126 Ca 0.21 -1.97 -0.28 0.00 0.00 0.00 0.00 51.96 49.92 2dun s ALA 126 Cb 0.17 -4.48 0.09 0.00 0.00 0.00 0.00 23.12 18.91 2dun s ALA 126 CO 0.02 -3.70 1.05 0.00 0.00 0.00 0.00 175.76 173.13 2dun s SER 128 N -2.77 -0.33 0.00 0.00 0.15 -1.26 -5.11 113.70 104.38 2dun s SER 128 Ca 0.11 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dun s SER 128 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2dun s SER 128 CO -0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dun n GLY 129 N 1.31 -1.38 3.77 9.45 0.00 -1.26 -5.16 105.19 111.92 2dun n GLY 129 Ca -0.10 0.47 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.33 -0.30 1.61 0.04 -1.26 -5.05 135.00 133.37 2dun s PRO 130 Ca 0.00 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.51 2dun s PRO 130 Cb 0.00 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.69 2dun s PRO 130 CO 0.00 -0.86 0.89 0.45 0.04 0.00 0.00 177.00 177.52 2dun s SER 131 N -1.81 -0.74 -0.44 6.66 0.15 -1.26 -5.12 113.70 111.15 2dun s SER 131 Ca 0.72 1.00 0.02 0.00 0.70 0.00 0.00 55.95 58.40 2dun s SER 131 Cb -0.24 1.84 0.14 0.00 -1.71 0.00 0.00 66.02 66.05 2dun s SER 131 CO 0.28 -0.14 0.25 -0.44 1.20 0.00 0.00 173.24 174.38 2dun s SER 132 N 2.58 3.54 0.00 5.45 0.01 -1.26 -5.36 113.70 118.66 2dun s SER 132 Ca -0.03 -2.63 0.00 0.00 1.31 0.00 0.00 55.95 54.60 2dun s SER 132 Cb -0.08 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.18 2dun s SER 132 CO -0.18 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.82