#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 1.20 -3.98 1.61 2.88 -1.26 -4.86 113.62 109.21 2dun n SER 2 Ca 0.00 -0.96 -0.36 0.00 -1.33 0.00 0.00 58.87 56.21 2dun n SER 2 Cb 0.00 -1.38 0.02 0.00 -0.75 0.00 0.00 64.21 62.10 2dun n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dun n SER 3 N 15.04 -4.70 -2.69 -3.46 2.88 -1.26 -4.97 113.62 114.47 2dun n SER 3 Ca 0.50 0.40 -0.06 0.00 -1.33 0.00 0.00 58.87 58.39 2dun n SER 3 Cb 0.37 -0.78 0.08 0.00 -0.75 0.00 0.00 64.21 63.13 2dun n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dun n GLY 4 N 2.90 -1.11 3.22 0.46 0.00 -1.26 -5.11 105.19 104.29 2dun n GLY 4 Ca 0.03 0.70 -0.40 0.00 0.00 0.00 0.00 46.02 46.35 2dun n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dun s SER 5 N -0.67 5.57 -0.68 1.61 0.01 -1.26 -5.02 113.70 113.25 2dun s SER 5 Ca 0.26 -1.75 -0.26 0.00 1.31 0.00 0.00 55.95 55.52 2dun s SER 5 Cb 0.23 -1.96 -0.13 0.00 0.21 0.00 0.00 66.02 64.37 2dun s SER 5 CO -0.14 -0.59 2.46 -1.20 0.41 0.00 0.00 173.24 174.18 2dun n SER 6 N 4.85 1.59 0.00 2.44 7.64 -1.26 -3.99 113.62 124.89 2dun n SER 6 Ca -0.08 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2dun n SER 6 Cb 0.42 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2dun n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dun n GLY 7 N 6.23 0.65 3.16 0.23 0.00 -1.26 -5.18 105.19 109.02 2dun n GLY 7 Ca 0.46 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 2dun n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dun s SER 8 N 0.00 -0.12 -0.27 1.61 0.01 -1.26 -5.16 113.70 108.51 2dun s SER 8 Ca 0.00 0.06 -0.26 0.00 1.31 0.00 0.00 55.95 57.06 2dun s SER 8 Cb 0.00 0.31 0.14 0.00 0.21 0.00 0.00 66.02 66.69 2dun s SER 8 CO 0.00 -0.34 1.15 0.28 0.41 0.00 0.00 173.24 174.74 2dun s THR 9 N -1.03 0.00 0.18 1.44 -1.32 -1.26 -5.03 115.64 108.61 2dun s THR 9 Ca -0.11 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.21 2dun s THR 9 Cb -0.05 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.05 2dun s THR 9 CO 0.02 0.00 1.67 0.03 -2.21 0.00 0.00 174.62 174.13 2dun h ARG 10 N 3.67 0.02 -3.08 7.08 3.08 -1.96 -3.29 114.38 119.91 2dun h ARG 10 Ca -0.26 -0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.17 2dun h ARG 10 Cb 1.18 -0.01 -0.41 0.00 0.08 0.00 0.00 29.97 30.82 2dun h ARG 10 CO 0.15 0.02 -0.66 -0.06 -1.07 0.00 0.00 179.97 178.35 2dun s PHE 11 N -6.21 2.95 0.13 3.04 0.08 -1.24 -4.94 117.98 111.78 2dun s PHE 11 Ca -0.14 -3.04 -0.12 0.00 0.12 0.00 0.00 56.93 53.75 2dun s PHE 11 Cb 0.15 -2.42 -0.06 0.00 -0.57 0.00 0.00 43.02 40.12 2dun s PHE 11 CO 0.71 -0.67 1.46 -1.00 -0.10 0.00 0.00 175.22 175.62 2dun h PRO 12 N 5.95 0.86 -0.95 0.24 0.13 -1.91 -3.10 132.00 133.22 2dun h PRO 12 Ca 0.07 -0.45 0.27 0.00 -0.87 0.00 0.00 66.00 65.02 2dun h PRO 12 Cb 0.84 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.94 2dun h PRO 12 CO 0.64 1.10 0.68 0.78 -0.23 0.00 0.00 178.00 180.96 2dun h GLY 13 N 0.66 0.05 -7.50 1.56 0.00 -1.93 -3.35 103.07 92.55 2dun h GLY 13 Ca 0.06 -0.01 -0.68 0.00 0.00 0.00 0.00 47.33 46.70 2dun h GLY 13 CO 0.09 -0.00 -0.57 0.54 0.00 0.00 0.00 176.54 176.59 2dun s VAL 14 N -4.99 4.41 -0.22 4.60 0.11 -1.17 -4.94 120.40 118.19 2dun s VAL 14 Ca -0.05 -0.55 -0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2dun s VAL 14 Cb 0.22 -3.28 0.03 0.00 -1.53 0.00 0.00 36.38 31.82 2dun s VAL 14 CO 0.78 0.04 -0.12 0.00 -3.33 0.00 0.00 175.10 172.47 2dun s ALA 15 N 1.57 2.55 -0.11 1.54 0.00 -1.26 -4.03 121.76 122.03 2dun s ALA 15 Ca 0.04 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.50 2dun s ALA 15 Cb -0.17 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 2dun s ALA 15 CO 0.05 -0.66 0.23 0.42 0.00 0.00 0.00 175.76 175.80 2dun s ILE 16 N 1.29 5.35 -0.11 0.00 1.01 -0.89 -0.66 121.20 127.19 2dun s ILE 16 Ca 0.01 0.42 0.04 0.00 0.00 0.00 0.00 60.65 61.11 2dun s ILE 16 Cb -0.16 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2dun s ILE 16 CO -0.08 0.55 -0.23 -0.47 0.00 0.00 0.00 174.94 174.71 2dun s TYR 17 N -0.61 2.59 -0.16 3.97 5.04 -0.20 -2.50 117.35 125.48 2dun s TYR 17 Ca 0.16 -1.08 -0.06 0.00 -2.44 0.00 0.00 57.07 53.65 2dun s TYR 17 Cb -0.13 -1.73 -0.04 0.00 0.35 0.00 0.00 41.96 40.41 2dun s TYR 17 CO 0.05 -0.44 0.04 -0.51 -1.34 0.00 0.00 175.55 173.35 2dun s LEU 18 N 0.42 3.73 0.37 6.97 1.43 -1.26 -2.43 118.68 127.90 2dun s LEU 18 Ca -0.17 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 2dun s LEU 18 Cb -0.18 -1.92 -0.09 0.00 0.03 0.00 0.00 46.19 44.03 2dun s LEU 18 CO 0.07 0.22 1.23 -0.69 0.23 0.00 0.00 176.35 177.41 2dun s VAL 19 N 0.10 2.93 -0.02 -1.59 1.01 -1.26 -4.99 120.40 116.58 2dun s VAL 19 Ca 0.04 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.87 2dun s VAL 19 Cb -0.12 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2dun s VAL 19 CO 0.01 0.14 -0.01 -0.33 0.00 0.00 0.00 175.10 174.91 2dun h GLU 20 N 2.97 0.00 0.10 2.72 5.08 -1.95 -3.31 114.58 120.19 2dun h GLU 20 Ca -0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2dun h GLU 20 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2dun h GLU 20 CO 0.64 0.00 -0.05 -1.00 -1.00 0.00 0.00 179.01 177.60 2dun h PRO 21 N -0.15 -0.13 -0.03 2.33 0.13 -1.95 0.92 132.00 133.12 2dun h PRO 21 Ca 0.00 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 2dun h PRO 21 Cb 0.04 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.14 2dun h PRO 21 CO 0.00 0.31 -0.44 -0.09 -0.23 0.00 0.00 178.00 177.55 2dun h ARG 22 N -0.62 -0.55 0.07 0.86 1.12 -2.00 -3.20 114.38 110.06 2dun h ARG 22 Ca -0.01 0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.89 2dun h ARG 22 Cb 0.50 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.58 2dun h ARG 22 CO 0.02 -0.37 -0.04 1.98 -3.11 0.00 0.00 179.97 178.46 2dun h MET 23 N -0.57 -0.10 0.00 0.20 4.05 -1.67 -3.47 114.93 113.37 2dun h MET 23 Ca 0.05 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2dun h MET 23 Cb 0.66 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 2dun h MET 23 CO -0.35 0.41 0.00 0.41 0.23 0.00 0.00 176.91 177.62 2dun n GLY 24 N 1.17 4.09 0.10 1.39 0.00 0.32 -4.78 105.19 107.47 2dun n GLY 24 Ca -0.07 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.12 0.02 1.61 3.08 -1.81 -2.92 114.38 114.24 2dun h ARG 25 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2dun h ARG 25 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2dun h ARG 25 CO 0.00 0.32 -0.01 0.77 -1.07 0.00 0.00 179.97 179.98 2dun h SER 26 N -0.63 -0.03 -0.98 7.04 0.02 -1.95 -3.26 113.55 113.76 2dun h SER 26 Ca -0.01 -0.11 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 2dun h SER 26 Cb 0.50 0.01 -0.17 0.00 0.14 0.00 0.00 62.40 62.88 2dun h SER 26 CO 0.02 0.52 -0.35 -1.14 -1.14 0.00 0.00 176.83 174.75 2dun n ARG 27 N -4.78 -0.19 -0.27 3.45 3.00 -1.26 0.98 116.66 117.59 2dun n ARG 27 Ca -0.01 1.52 0.05 0.00 -0.00 0.00 0.00 57.85 59.40 2dun n ARG 27 Cb 0.06 -2.25 0.19 0.00 0.00 0.00 0.00 32.46 30.46 2dun n ARG 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2dun h ARG 28 N 0.00 0.51 -0.25 -0.14 1.12 -1.66 -1.70 114.38 112.26 2dun h ARG 28 Ca 0.38 -0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.27 2dun h ARG 28 Cb 0.62 -0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 30.41 2dun h ARG 28 CO -0.98 0.34 -0.11 0.00 -3.11 0.00 0.00 179.97 176.11 2dun h ALA 29 N 1.53 0.10 -0.79 2.80 0.00 0.58 0.13 119.26 123.61 2dun h ALA 29 Ca 0.42 0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.56 2dun h ALA 29 Cb 0.58 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 2dun h ALA 29 CO -0.36 -0.52 -0.32 0.35 0.00 0.00 0.00 179.25 178.39 2dun h PHE 30 N -0.07 -0.87 -0.17 0.00 3.04 -0.82 -0.30 116.94 117.75 2dun h PHE 30 Ca 0.13 0.09 -0.07 0.00 3.98 0.00 0.00 57.97 62.09 2dun h PHE 30 Cb 0.26 0.50 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 2dun h PHE 30 CO -0.29 -0.39 -0.18 -0.07 -2.02 0.00 0.00 178.31 175.36 2dun h LEU 31 N -0.07 0.46 -0.73 0.59 3.38 -1.41 -3.09 115.31 114.44 2dun h LEU 31 Ca 0.31 -0.49 0.07 0.00 0.09 0.00 0.00 57.88 57.86 2dun h LEU 31 Cb 0.58 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 2dun h LEU 31 CO -0.83 0.85 -0.43 0.41 0.09 0.00 0.00 178.44 178.53 2dun n THR 32 N -4.49 -0.50 0.09 0.22 -1.04 0.42 0.86 114.28 109.85 2dun n THR 32 Ca -0.06 2.05 0.04 0.00 -2.04 0.00 0.00 64.05 64.05 2dun n THR 32 Cb 0.39 -2.56 0.47 0.00 -1.82 0.00 0.00 70.33 66.81 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 0.37 0.31 3.41 0.00 -1.48 -3.11 103.07 102.57 2dun h GLY 33 Ca 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2dun h GLY 33 CO -0.69 0.15 -0.15 -2.00 0.00 0.00 0.00 176.54 173.85 2dun h LEU 34 N 0.35 -0.35 0.00 3.11 5.85 0.56 -1.72 115.31 123.10 2dun h LEU 34 Ca 0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2dun h LEU 34 Cb 0.06 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2dun h LEU 34 CO -0.01 -0.17 0.00 0.00 -0.34 0.00 0.00 178.44 177.92 2dun n ALA 35 N -2.34 0.00 -0.23 1.25 0.00 0.14 0.74 120.51 120.07 2dun n ALA 35 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 2dun n ALA 35 Cb 0.16 0.39 0.15 0.00 0.00 0.00 0.00 19.45 20.15 2dun n ALA 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2dun h ARG 36 N 0.00 0.25 -0.12 0.00 0.11 -1.34 0.44 114.38 113.72 2dun h ARG 36 Ca 0.00 -0.02 0.03 0.00 0.10 0.00 0.00 59.98 60.10 2dun h ARG 36 Cb 0.00 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.02 2dun h ARG 36 CO 0.00 0.17 0.09 1.03 0.10 0.00 0.00 179.97 181.36 2dun h SER 37 N 0.26 0.00 0.53 0.08 0.87 0.49 -1.56 113.55 114.22 2dun h SER 37 Ca 0.37 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.64 2dun h SER 37 Cb 0.60 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 2dun h SER 37 CO -0.47 0.00 -1.49 0.11 -0.53 0.00 0.00 176.83 174.45 2dun h LYS 38 N 0.00 0.17 0.00 2.24 1.79 0.46 -3.48 116.57 117.75 2dun h LYS 38 Ca 0.06 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2dun h LYS 38 Cb 0.24 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2dun h LYS 38 CO -0.00 1.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.78 2dun n GLY 39 N 1.61 0.75 2.99 3.86 0.00 0.53 -4.86 105.19 110.07 2dun n GLY 39 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.80 2.15 -0.13 1.61 0.08 -0.58 -3.69 117.98 116.62 2dun s PHE 40 Ca 0.00 -1.30 -0.33 0.00 0.12 0.00 0.00 56.93 55.41 2dun s PHE 40 Cb 0.00 -1.55 -0.11 0.00 -0.57 0.00 0.00 43.02 40.79 2dun s PHE 40 CO 0.00 -0.68 1.97 -2.13 -0.10 0.00 0.00 175.22 174.28 2dun n ARG 41 N 4.77 2.07 -3.41 0.44 0.63 -1.26 -2.03 116.66 117.87 2dun n ARG 41 Ca -0.15 0.72 -0.38 0.00 -0.92 0.00 0.00 57.85 57.12 2dun n ARG 41 Cb 0.48 -2.72 -0.08 0.00 0.45 0.00 0.00 32.46 30.59 2dun n ARG 41 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2dun s VAL 42 N 5.03 5.21 -0.14 5.15 1.01 -1.26 -2.09 120.40 133.31 2dun s VAL 42 Ca 0.96 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 2dun s VAL 42 Cb -0.65 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 2dun s VAL 42 CO 0.49 0.24 0.29 -0.76 0.00 0.00 0.00 175.10 175.36 2dun s LEU 43 N 1.47 4.29 -0.05 3.92 1.43 -1.04 -5.00 118.68 123.70 2dun s LEU 43 Ca 0.17 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.60 2dun s LEU 43 Cb -0.15 -2.37 -0.25 0.00 0.03 0.00 0.00 46.19 43.45 2dun s LEU 43 CO 0.08 0.16 1.00 -2.24 0.23 0.00 0.00 176.35 175.58 2dun h ASP 44 N 6.25 0.31 -1.29 2.29 2.03 -1.95 -3.39 116.42 120.67 2dun h ASP 44 Ca -0.44 -0.82 -0.61 0.00 -0.73 0.00 0.00 57.03 54.43 2dun h ASP 44 Cb 1.18 -0.10 -0.10 0.00 -0.83 0.00 0.00 39.33 39.48 2dun h ASP 44 CO 0.72 1.09 -0.52 0.00 -1.03 0.00 0.00 179.24 179.50 2dun s ALA 45 N -2.96 3.63 -0.31 4.15 0.00 -1.26 -4.98 121.76 120.03 2dun s ALA 45 Ca -0.15 -1.77 -0.29 0.00 0.00 0.00 0.00 51.96 49.74 2dun s ALA 45 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.99 2dun s ALA 45 CO 0.77 -0.15 1.10 0.00 0.00 0.00 0.00 175.76 177.47 2dun s SER 47 N 1.71 0.58 0.29 0.00 0.15 -1.26 -5.04 113.70 110.13 2dun s SER 47 Ca 0.46 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 56.22 2dun s SER 47 Cb -0.13 0.16 0.69 0.00 -1.71 0.00 0.00 66.02 65.03 2dun s SER 47 CO 0.15 -0.51 1.62 0.77 1.20 0.00 0.00 173.24 176.46 2dun h SER 48 N 3.42 -0.23 -0.99 5.45 4.64 -1.95 0.41 113.55 124.30 2dun h SER 48 Ca -0.34 0.23 0.35 0.00 -0.47 0.00 0.00 61.79 61.56 2dun h SER 48 Cb 1.16 0.36 -0.16 0.00 -0.31 0.00 0.00 62.40 63.44 2dun h SER 48 CO 0.61 -0.24 0.49 -0.33 -0.87 0.00 0.00 176.83 176.48 2dun h GLU 49 N 0.11 0.16 -5.28 4.77 3.07 -1.96 -3.41 114.58 112.03 2dun h GLU 49 Ca 0.55 -0.01 -0.68 0.00 -0.50 0.00 0.00 59.36 58.72 2dun h GLU 49 Cb 1.12 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.96 2dun h GLU 49 CO -0.76 0.11 1.16 0.00 -1.40 0.00 0.00 179.01 178.12 2dun n ALA 50 N -2.38 0.19 -0.10 3.43 0.00 0.14 -4.48 120.51 117.32 2dun n ALA 50 Ca 0.33 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 2dun n ALA 50 Cb 1.06 -1.83 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 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 5.73 1.23 -4.07 0.00 -2.24 0.16 -4.32 114.28 110.77 2dun n THR 51 Ca 0.48 -0.54 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 2dun n THR 51 Cb -0.04 -1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 66.94 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 -2.43 0.47 -0.22 4.78 3.76 -0.93 -0.75 115.29 119.97 2dun s HIS 52 Ca -0.25 -0.08 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 2dun s HIS 52 Cb 0.07 -0.42 -0.01 0.00 1.11 0.00 0.00 32.58 33.34 2dun s HIS 52 CO 0.55 -0.10 -0.06 0.08 -0.85 0.00 0.00 174.74 174.36 2dun s VAL 53 N 0.54 3.23 -0.25 -0.90 1.01 -0.15 -1.04 120.40 122.85 2dun s VAL 53 Ca -0.06 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2dun s VAL 53 Cb -0.09 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2dun s VAL 53 CO -0.01 0.43 0.45 -0.69 0.00 0.00 0.00 175.10 175.29 2dun s VAL 54 N 1.46 5.13 -0.05 2.92 1.01 -1.02 -0.04 120.40 129.81 2dun s VAL 54 Ca 0.06 0.77 0.05 0.00 0.00 0.00 0.00 61.98 62.85 2dun s VAL 54 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 2dun s VAL 54 CO -0.04 0.14 -0.19 -0.04 0.00 0.00 0.00 175.10 174.97 2dun s MET 55 N 2.00 1.99 0.19 2.72 -1.94 -1.01 -4.08 119.30 119.16 2dun s MET 55 Ca 0.19 -0.69 0.06 0.00 -1.71 0.00 0.00 55.69 53.54 2dun s MET 55 Cb -0.15 -1.72 -0.04 0.00 2.01 0.00 0.00 34.83 34.93 2dun s MET 55 CO 0.09 0.29 0.13 -1.21 -0.01 0.00 0.00 175.02 174.31 2dun s GLU 56 N -0.03 2.83 -1.59 2.03 2.02 -1.26 -2.49 118.70 120.21 2dun s GLU 56 Ca -0.03 -0.96 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 2dun s GLU 56 Cb -0.12 -2.58 0.19 0.00 0.10 0.00 0.00 34.13 31.72 2dun s GLU 56 CO 0.02 0.45 0.46 -0.85 0.02 0.00 0.00 175.26 175.37 2dun n GLU 57 N -0.56 -0.77 -4.44 1.61 0.28 -1.26 -4.84 120.64 110.66 2dun n GLU 57 Ca -0.08 0.12 -0.34 0.00 -0.16 0.00 0.00 57.16 56.70 2dun n GLU 57 Cb 0.56 -3.94 -0.13 0.00 1.43 0.00 0.00 31.44 29.35 2dun n GLU 57 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2dun s THR 58 N -3.05 3.52 0.58 3.84 2.01 -1.26 -5.10 115.64 116.18 2dun s THR 58 Ca 0.65 -0.48 -0.18 0.00 0.31 0.00 0.00 61.69 61.98 2dun s THR 58 Cb -0.38 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 2dun s THR 58 CO 0.88 0.49 1.15 -0.55 -0.69 0.00 0.00 174.62 175.89 2dun s SER 59 N 0.56 5.45 0.41 3.53 0.15 -1.26 -4.77 113.70 117.76 2dun s SER 59 Ca -0.05 2.20 0.23 0.00 0.70 0.00 0.00 55.95 59.03 2dun s SER 59 Cb -0.15 -2.58 1.23 0.00 -1.71 0.00 0.00 66.02 62.81 2dun s SER 59 CO 0.03 -1.41 1.71 0.00 1.20 0.00 0.00 173.24 174.77 2dun h ALA 60 N 0.88 2.40 0.16 5.45 0.00 -1.94 0.10 119.26 126.31 2dun h ALA 60 Ca -0.49 0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.20 2dun h ALA 60 Cb 1.27 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2dun h ALA 60 CO 0.56 -0.91 -1.52 1.05 0.00 0.00 0.00 179.25 178.42 2dun h GLU 61 N 0.27 0.34 -0.95 0.00 4.11 -1.90 -1.69 114.58 114.75 2dun h GLU 61 Ca 0.69 -0.59 0.19 0.00 0.07 0.00 0.00 59.36 59.73 2dun h GLU 61 Cb 1.93 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 31.31 2dun h GLU 61 CO -0.37 1.28 0.61 1.49 0.07 0.00 0.00 179.01 182.09 2dun h GLU 62 N -0.09 0.57 0.00 1.06 4.57 -1.21 0.19 114.58 119.67 2dun h GLU 62 Ca -0.31 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2dun h GLU 62 Cb 1.94 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 2dun h GLU 62 CO 0.14 0.38 0.00 0.00 -1.18 0.00 0.00 179.01 178.35 2dun n ALA 63 N -2.43 -0.28 -0.34 2.92 0.00 -0.31 -1.53 120.51 118.53 2dun n ALA 63 Ca 0.21 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.93 2dun n ALA 63 Cb 0.63 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.68 2dun n ALA 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2dun h VAL 64 N 0.00 0.44 0.69 0.00 3.04 -1.58 -1.52 116.25 117.31 2dun h VAL 64 Ca 0.00 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.58 2dun h VAL 64 Cb 0.00 0.18 0.01 0.00 -2.01 0.00 0.00 31.29 29.47 2dun h VAL 64 CO 0.00 0.04 -0.33 -1.28 -1.01 0.00 0.00 177.57 174.99 2dun h SER 65 N 0.23 -0.78 -0.30 3.17 0.87 -0.66 -2.62 113.55 113.46 2dun h SER 65 Ca 0.61 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 61.29 2dun h SER 65 Cb 1.87 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 64.02 2dun h SER 65 CO -0.22 -0.41 0.73 -0.25 -0.53 0.00 0.00 176.83 176.15 2dun h TRP 66 N -1.22 0.00 0.04 2.24 7.01 -0.24 0.32 115.95 124.10 2dun h TRP 66 Ca -0.09 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.85 2dun h TRP 66 Cb 0.71 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.77 2dun h TRP 66 CO 0.00 0.00 -0.25 0.37 -2.79 0.00 0.00 178.44 175.78 2dun h GLN 67 N 0.00 0.10 -1.03 2.65 5.75 -1.22 -3.31 115.11 118.04 2dun h GLN 67 Ca 0.14 -0.16 0.27 0.00 -0.15 0.00 0.00 58.65 58.76 2dun h GLN 67 Cb 1.61 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 30.10 2dun h GLN 67 CO -0.00 1.04 0.63 0.93 -2.65 0.00 0.00 178.83 178.78 2dun h GLU 68 N -0.75 0.45 -0.78 1.69 4.39 0.01 0.46 114.58 120.05 2dun h GLU 68 Ca -0.04 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.72 2dun h GLU 68 Cb 1.16 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 2dun h GLU 68 CO 0.05 0.30 0.51 0.00 -1.16 0.00 0.00 179.01 178.70 2dun h ARG 69 N 0.46 0.73 0.31 2.33 2.47 -1.61 -2.73 114.38 116.33 2dun h ARG 69 Ca 0.65 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.31 2dun h ARG 69 Cb 1.45 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2dun h ARG 69 CO -0.43 0.48 -0.15 0.00 0.56 0.00 0.00 179.97 180.43 2dun h ARG 70 N 0.75 -0.40 -1.49 0.04 2.47 -0.21 -2.99 114.38 112.56 2dun h ARG 70 Ca 0.35 0.03 0.43 0.00 -1.26 0.00 0.00 59.98 59.53 2dun h ARG 70 Cb 0.38 0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.73 2dun h ARG 70 CO -0.13 -0.26 1.32 -1.33 0.56 0.00 0.00 179.97 180.13 2dun n MET 71 N -3.57 0.01 0.03 0.04 2.81 -1.12 0.15 117.12 115.46 2dun n MET 71 Ca -0.05 1.05 -0.12 0.00 -1.81 0.00 0.00 57.70 56.77 2dun n MET 71 Cb 0.16 -2.53 -0.09 0.00 -0.71 0.00 0.00 33.22 30.06 2dun n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dun h ALA 72 N 0.74 -0.13 -0.56 3.04 0.00 -1.37 -3.27 119.26 117.71 2dun h ALA 72 Ca 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2dun h ALA 72 Cb 3.35 0.05 0.00 0.00 0.00 0.00 0.00 17.79 21.19 2dun h ALA 72 CO -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 178.95 2dun n ALA 73 N -2.46 3.47 -1.80 0.00 0.00 0.25 -4.98 120.51 114.99 2dun n ALA 73 Ca -0.08 -1.85 -0.35 0.00 0.00 0.00 0.00 53.44 51.16 2dun n ALA 73 Cb 0.27 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.42 3.06 0.88 0.00 0.00 0.40 -5.03 121.76 118.65 2dun s ALA 74 Ca 0.51 0.55 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2dun s ALA 74 Cb 0.37 -3.21 0.12 0.00 0.00 0.00 0.00 23.12 20.40 2dun s ALA 74 CO 0.18 -0.04 1.09 -1.25 0.00 0.00 0.00 175.76 175.74 2dun s PRO 75 N -2.75 1.35 0.14 0.00 0.04 -1.26 -4.98 135.00 127.55 2dun s PRO 75 Ca 0.59 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 2dun s PRO 75 Cb -0.16 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2dun s PRO 75 CO 0.21 -2.18 1.34 -1.25 0.04 0.00 0.00 177.00 175.15 2dun s PRO 76 N -4.93 4.36 0.00 0.56 0.04 -1.26 -2.81 135.00 130.96 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 2.99 0.66 3.78 0.56 0.00 -1.26 -5.05 105.19 106.88 2dun n GLY 77 Ca 0.09 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2dun n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dun s THR 79 N -2.88 2.01 -0.26 0.00 2.01 -1.26 -5.09 115.64 110.17 2dun s THR 79 Ca 0.61 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2dun s THR 79 Cb -0.17 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 2dun s THR 79 CO 0.54 0.56 1.64 -2.16 -0.69 0.00 0.00 174.62 174.51 2dun s PRO 80 N -0.15 3.68 1.00 4.92 0.04 -1.26 -4.85 135.00 138.38 2dun s PRO 80 Ca -0.04 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 2dun s PRO 80 Cb -0.14 -4.07 0.19 0.00 0.04 0.00 0.00 34.50 30.52 2dun s PRO 80 CO 0.04 -1.43 1.09 -1.25 0.04 0.00 0.00 177.00 175.48 2dun s PRO 81 N 4.90 0.44 -0.55 0.56 0.04 -1.26 -5.00 135.00 134.14 2dun s PRO 81 Ca 0.72 0.53 -0.16 0.00 0.04 0.00 0.00 61.00 62.13 2dun s PRO 81 Cb -0.23 -1.74 0.13 0.00 0.04 0.00 0.00 34.50 32.70 2dun s PRO 81 CO 0.30 -2.73 0.53 0.00 0.04 0.00 0.00 177.00 175.14 2dun s ALA 82 N -2.96 3.62 -0.30 8.56 0.00 0.07 -4.95 121.76 125.81 2dun s ALA 82 Ca 0.65 -2.51 -0.29 0.00 0.00 0.00 0.00 51.96 49.82 2dun s ALA 82 Cb -0.19 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2dun s ALA 82 CO 0.58 -2.06 1.69 -0.51 0.00 0.00 0.00 175.76 175.45 2dun s LEU 83 N 1.73 3.65 0.48 0.00 1.43 -1.26 -0.98 118.68 123.74 2dun s LEU 83 Ca 0.04 1.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 2dun s LEU 83 Cb -0.29 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 2dun s LEU 83 CO 0.03 -1.51 0.00 -0.76 0.23 0.00 0.00 176.35 174.35 2dun s LEU 84 N 6.09 2.46 0.13 1.79 1.43 0.95 -2.83 118.68 128.70 2dun s LEU 84 Ca 0.75 -1.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.32 2dun s LEU 84 Cb -0.22 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 2dun s LEU 84 CO 0.32 -0.74 0.07 -0.62 0.23 0.00 0.00 176.35 175.62 2dun s ASP 85 N -3.83 5.30 0.56 2.29 2.15 -1.14 -2.41 116.67 119.60 2dun s ASP 85 Ca 0.14 -0.15 0.43 0.00 0.43 0.00 0.00 52.55 53.39 2dun s ASP 85 Cb 0.04 -1.33 1.59 0.00 -0.30 0.00 0.00 42.92 42.92 2dun s ASP 85 CO 0.07 0.12 1.64 -0.29 -0.17 0.00 0.00 175.17 176.54 2dun h ILE 86 N 2.39 0.16 -0.88 4.11 6.09 -1.83 0.45 117.51 128.02 2dun h ILE 86 Ca -0.47 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.16 2dun h ILE 86 Cb 1.19 0.17 -0.09 0.00 0.47 0.00 0.00 36.82 38.56 2dun h ILE 86 CO 0.62 0.00 0.48 -1.28 -3.07 0.00 0.00 178.15 174.90 2dun h SER 87 N 0.00 0.60 0.25 2.19 0.87 -1.93 0.21 113.55 115.74 2dun h SER 87 Ca 0.74 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 61.31 2dun h SER 87 Cb 3.06 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 64.99 2dun h SER 87 CO -0.01 0.27 -0.29 -0.25 -0.53 0.00 0.00 176.83 176.02 2dun h TRP 88 N 0.69 0.08 0.18 2.24 7.01 -0.45 -3.06 115.95 122.64 2dun h TRP 88 Ca 0.47 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.45 2dun h TRP 88 Cb 0.64 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 2dun h TRP 88 CO -0.07 0.36 -0.09 1.25 -2.79 0.00 0.00 178.44 177.10 2dun h LEU 89 N 0.07 -0.21 -1.46 0.65 5.85 -0.75 -2.94 115.31 116.52 2dun h LEU 89 Ca 0.01 0.01 0.48 0.00 0.84 0.00 0.00 57.88 59.22 2dun h LEU 89 Cb 0.55 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 41.51 2dun h LEU 89 CO 0.04 0.18 0.96 0.35 -0.34 0.00 0.00 178.44 179.64 2dun n THR 90 N -4.53 -0.20 -0.01 1.05 -2.24 0.12 0.17 114.28 108.64 2dun n THR 90 Ca -0.03 1.71 -0.17 0.00 -2.27 0.00 0.00 64.05 63.29 2dun n THR 90 Cb 0.10 -2.80 -0.09 0.00 -2.10 0.00 0.00 70.33 65.43 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 0.51 -0.26 -0.78 5.08 -1.60 -2.66 114.58 114.87 2dun h GLU 91 Ca 0.87 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2dun h GLU 91 Cb 2.94 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 32.29 2dun h GLU 91 CO -0.37 1.09 0.03 0.77 -1.00 0.00 0.00 179.01 179.52 2dun h SER 92 N 0.08 0.43 0.08 1.42 0.02 0.18 -1.73 113.55 114.03 2dun h SER 92 Ca -0.05 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2dun h SER 92 Cb 1.24 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2dun h SER 92 CO 0.12 0.60 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.22 2dun h LEU 93 N 0.24 -0.32 -0.18 5.07 3.38 -0.83 0.69 115.31 123.36 2dun h LEU 93 Ca 0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dun h LEU 93 Cb 0.37 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dun h LEU 93 CO 0.01 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.97 2dun n GLY 94 N -1.24 -0.98 0.00 0.83 0.00 -1.00 -1.99 105.19 100.81 2dun n GLY 94 Ca -0.07 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.56 3.36 -0.04 4.61 0.00 -0.47 -4.98 120.51 121.44 2dun n ALA 95 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2dun n ALA 95 Cb 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 1.47 2.48 3.12 0.00 0.00 0.23 -4.96 105.19 107.53 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 -0.01 0.68 -0.39 1.61 -2.07 -1.05 -4.72 119.66 113.71 2dun s GLN 97 Ca 0.00 -0.94 -0.28 0.00 -1.82 0.00 0.00 55.36 52.31 2dun s GLN 97 Cb 0.00 -0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 31.49 2dun s GLN 97 CO 0.00 0.07 1.73 -1.25 -1.32 0.00 0.00 175.29 174.51 2dun s PRO 98 N -2.14 3.27 0.60 9.60 0.04 -1.26 -4.33 135.00 140.79 2dun s PRO 98 Ca -0.03 1.19 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 2dun s PRO 98 Cb -0.07 -4.19 -0.03 0.00 0.04 0.00 0.00 34.50 30.25 2dun s PRO 98 CO -0.00 -1.94 1.10 0.14 0.04 0.00 0.00 177.00 176.34 2dun s VAL 99 N 6.92 3.40 -0.52 -0.36 -7.23 -1.26 -4.94 120.40 116.43 2dun s VAL 99 Ca 0.74 0.72 -0.27 0.00 -1.81 0.00 0.00 61.98 61.35 2dun s VAL 99 Cb -0.19 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.49 2dun s VAL 99 CO 0.31 -0.34 1.80 -2.16 -0.31 0.00 0.00 175.10 174.41 2dun s PRO 100 N -3.84 2.91 0.58 4.82 0.04 -1.26 -4.95 135.00 133.29 2dun s PRO 100 Ca 0.67 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 2dun s PRO 100 Cb -0.20 -4.30 -0.14 0.00 0.04 0.00 0.00 34.50 29.90 2dun s PRO 100 CO 0.35 -2.38 -0.12 1.55 0.04 0.00 0.00 177.00 176.44 2dun n VAL 101 N 7.26 0.28 -4.34 -0.36 3.14 -1.26 -5.00 118.33 118.05 2dun n VAL 101 Ca 0.21 -0.50 -0.17 0.00 -2.96 0.00 0.00 64.34 60.92 2dun n VAL 101 Cb 0.50 -0.09 -0.10 0.00 -1.06 0.00 0.00 33.84 33.09 2dun n VAL 101 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 2dun s GLU 102 N -1.29 1.37 0.45 1.45 -1.05 -1.26 -5.02 118.70 113.34 2dun s GLU 102 Ca 0.56 -1.70 0.15 0.00 -0.15 0.00 0.00 54.97 53.84 2dun s GLU 102 Cb -0.45 -0.64 1.07 0.00 -0.44 0.00 0.00 34.13 33.67 2dun s GLU 102 CO 0.67 -0.10 1.98 0.00 0.95 0.00 0.00 175.26 178.76 2dun h ARG 104 N 0.36 0.00 0.02 0.00 9.65 -2.01 -3.15 114.38 119.25 2dun h ARG 104 Ca 0.27 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.04 2dun h ARG 104 Cb 0.58 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.17 2dun h ARG 104 CO -0.07 0.33 -0.43 0.45 2.80 0.00 0.00 179.97 183.05 2dun h HIS 105 N 0.00 0.39 -2.59 2.20 3.86 -1.16 -3.47 115.15 114.37 2dun h HIS 105 Ca -0.00 -0.23 -0.55 0.00 -1.16 0.00 0.00 60.37 58.43 2dun h HIS 105 Cb 0.75 -0.04 0.22 0.00 1.06 0.00 0.00 27.41 29.40 2dun h HIS 105 CO 0.00 1.07 -1.19 0.54 0.86 0.00 0.00 177.93 179.21 2dun n ARG 106 N -4.36 -0.04 -3.97 2.45 1.74 -0.86 -2.86 116.66 108.76 2dun n ARG 106 Ca -0.11 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.69 2dun n ARG 106 Cb 0.61 -1.37 -0.16 0.00 -1.02 0.00 0.00 32.46 30.51 2dun n ARG 106 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dun s LEU 107 N 3.79 1.65 0.03 0.55 1.43 -1.13 -4.82 118.68 120.17 2dun s LEU 107 Ca 0.51 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 2dun s LEU 107 Cb -0.25 -1.06 0.09 0.00 0.03 0.00 0.00 46.19 45.00 2dun s LEU 107 CO 0.73 -0.11 0.87 -0.70 0.23 0.00 0.00 176.35 177.37 2dun s GLU 108 N 1.55 0.91 0.38 1.70 2.12 -0.64 -3.92 118.70 120.80 2dun s GLU 108 Ca 0.03 -0.36 0.05 0.00 0.36 0.00 0.00 54.97 55.06 2dun s GLU 108 Cb -0.14 0.40 -0.07 0.00 0.26 0.00 0.00 34.13 34.58 2dun s GLU 108 CO -0.09 -0.40 0.03 0.54 -0.54 0.00 0.00 175.26 174.80 2dun s VAL 109 N -3.20 1.63 -0.30 3.70 0.11 -1.23 -4.45 120.40 116.66 2dun s VAL 109 Ca 0.06 -2.00 -0.16 0.00 -2.93 0.00 0.00 61.98 56.95 2dun s VAL 109 Cb -0.01 -2.88 0.18 0.00 -1.53 0.00 0.00 36.38 32.14 2dun s VAL 109 CO -0.08 0.00 1.13 0.00 -3.33 0.00 0.00 175.10 172.82 2dun s ALA 110 N -2.95 -3.35 -0.60 1.54 0.00 -1.26 -5.01 121.76 110.13 2dun s ALA 110 Ca 0.34 1.61 -0.02 0.00 0.00 0.00 0.00 51.96 53.89 2dun s ALA 110 Cb 0.09 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 2dun s ALA 110 CO 0.16 -1.25 0.54 0.41 0.00 0.00 0.00 175.76 175.63 2dun n GLY 111 N 5.15 -0.69 3.77 0.00 0.00 -1.26 -5.00 105.19 107.16 2dun n GLY 111 Ca -0.08 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.49 2.57 0.16 1.61 0.04 -1.26 -5.06 135.00 129.58 2dun s PRO 112 Ca 0.16 1.30 0.05 0.00 0.04 0.00 0.00 61.00 62.55 2dun s PRO 112 Cb -0.02 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2dun s PRO 112 CO 0.50 -1.41 0.12 1.03 0.04 0.00 0.00 177.00 177.27 2dun s ARG 113 N -4.43 2.84 -0.10 4.56 1.81 -1.26 -5.12 118.95 117.26 2dun s ARG 113 Ca 0.65 -0.88 -0.30 0.00 -1.72 0.00 0.00 55.73 53.48 2dun s ARG 113 Cb -0.19 -2.62 0.12 0.00 -0.45 0.00 0.00 34.95 31.80 2dun s ARG 113 CO 0.47 0.49 0.94 -1.59 -0.68 0.00 0.00 175.30 174.94 2dun s LYS 114 N -3.02 0.69 -0.58 3.54 0.00 -1.26 -5.04 119.74 114.07 2dun s LYS 114 Ca 0.30 -0.01 -0.21 0.00 0.00 0.00 0.00 55.97 56.05 2dun s LYS 114 Cb -0.10 0.32 0.03 0.00 0.00 0.00 0.00 37.83 38.08 2dun s LYS 114 CO 0.23 -0.25 0.60 0.41 0.00 0.00 0.00 175.35 176.34 2dun n GLY 115 N 0.37 -0.45 3.64 0.59 0.00 -1.26 -4.92 105.19 103.15 2dun n GLY 115 Ca -0.10 0.87 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 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 -3.43 -0.40 0.04 1.61 0.04 -1.26 -5.08 135.00 126.52 2dun s PRO 116 Ca 0.20 0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.52 2dun s PRO 116 Cb -0.02 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2dun s PRO 116 CO 0.84 -3.22 -0.14 -0.48 0.04 0.00 0.00 177.00 174.03 2dun s LEU 117 N -6.70 2.18 -0.40 -3.56 0.05 -1.26 -5.12 118.68 103.87 2dun s LEU 117 Ca 0.68 -0.47 -0.03 0.00 0.05 0.00 0.00 54.13 54.36 2dun s LEU 117 Cb -0.15 -0.61 0.10 0.00 -2.05 0.00 0.00 46.19 43.49 2dun s LEU 117 CO 0.57 0.03 0.19 -0.44 -0.55 0.00 0.00 176.35 176.15 2dun s SER 118 N -1.17 5.25 0.07 1.48 0.01 -1.26 -4.96 113.70 113.12 2dun s SER 118 Ca 0.02 -1.90 -0.17 0.00 1.31 0.00 0.00 55.95 55.20 2dun s SER 118 Cb -0.08 -1.83 -0.11 0.00 0.21 0.00 0.00 66.02 64.21 2dun s SER 118 CO 0.01 -0.51 1.39 1.55 0.41 0.00 0.00 173.24 176.09 2dun h PRO 119 N 8.08 0.55 -1.82 12.44 0.13 -2.07 -3.48 132.00 145.82 2dun h PRO 119 Ca -0.15 -0.29 0.31 0.00 -0.87 0.00 0.00 66.00 65.00 2dun h PRO 119 Cb 1.05 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 2dun h PRO 119 CO 0.69 0.88 0.80 0.00 -0.23 0.00 0.00 178.00 180.14 2dun s ALA 120 N -4.34 -2.20 0.17 -0.56 0.00 -1.26 -5.18 121.76 108.38 2dun s ALA 120 Ca -0.13 0.35 0.10 0.00 0.00 0.00 0.00 51.96 52.28 2dun s ALA 120 Cb 0.07 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2dun s ALA 120 CO 0.80 -1.08 -0.22 -0.46 0.00 0.00 0.00 175.76 174.79 2dun s TRP 121 N -2.33 2.10 -0.27 0.00 -0.11 -1.26 -5.15 118.94 111.92 2dun s TRP 121 Ca 0.19 -0.40 -0.25 0.00 1.22 0.00 0.00 56.10 56.86 2dun s TRP 121 Cb 0.02 -1.06 0.08 0.00 -1.50 0.00 0.00 33.47 31.01 2dun s TRP 121 CO -0.02 0.40 0.80 0.00 -4.62 0.00 0.00 176.95 173.52 2dun s MET 122 N -2.57 0.75 0.90 5.86 0.23 -1.26 -5.17 119.30 118.05 2dun s MET 122 Ca 0.17 0.89 -0.12 0.00 -1.03 0.00 0.00 55.69 55.60 2dun s MET 122 Cb -0.08 0.37 0.13 0.00 -1.53 0.00 0.00 34.83 33.72 2dun s MET 122 CO 0.08 -0.09 1.09 -1.25 -2.03 0.00 0.00 175.02 172.82 2dun s PRO 123 N 0.33 1.22 0.21 3.16 0.04 -1.26 -4.97 135.00 133.73 2dun s PRO 123 Ca 0.01 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.86 2dun s PRO 123 Cb -0.05 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.86 2dun s PRO 123 CO -0.01 -2.26 1.52 0.00 0.04 0.00 0.00 177.00 176.28 2dun h ALA 124 N -1.56 0.75 -0.23 8.56 0.00 -2.07 -3.14 119.26 121.58 2dun h ALA 124 Ca -0.50 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 53.71 2dun h ALA 124 Cb 1.29 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2dun h ALA 124 CO 0.55 0.73 0.19 2.48 0.00 0.00 0.00 179.25 183.20 2dun n TYR 125 N -3.88 0.73 -3.75 0.00 4.11 -1.26 -4.74 117.16 108.36 2dun n TYR 125 Ca -0.03 -1.33 -0.24 0.00 -0.00 0.00 0.00 57.90 56.31 2dun n TYR 125 Cb 0.64 -0.65 -0.17 0.00 -0.00 0.00 0.00 39.34 39.15 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 -0.84 0.71 0.21 -3.48 0.00 -1.19 -5.13 121.76 112.04 2dun s ALA 126 Ca 0.14 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 2dun s ALA 126 Cb 0.11 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.43 2dun s ALA 126 CO 0.00 -0.62 0.56 0.00 0.00 0.00 0.00 175.76 175.70 2dun s SER 128 N -2.88 0.86 -0.32 0.00 1.04 -1.26 -5.09 113.70 106.04 2dun s SER 128 Ca 0.10 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 55.96 2dun s SER 128 Cb -0.02 0.03 0.25 0.00 0.10 0.00 0.00 66.02 66.38 2dun s SER 128 CO -0.01 -0.18 1.20 0.61 0.98 0.00 0.00 173.24 175.84 2dun n GLY 129 N 1.55 -1.82 3.77 7.32 0.00 -1.26 -5.16 105.19 109.59 2dun n GLY 129 Ca -0.22 1.18 -0.33 0.00 0.00 0.00 0.00 46.02 46.65 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 0.47 2.77 -0.07 1.61 0.04 -1.26 -5.02 135.00 133.54 2dun s PRO 130 Ca 0.25 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 2dun s PRO 130 Cb 0.18 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 2dun s PRO 130 CO -0.09 -1.27 -0.17 0.45 0.04 0.00 0.00 177.00 175.95 2dun n SER 131 N -2.49 1.18 -4.69 6.66 2.88 -1.26 -4.96 113.62 110.94 2dun n SER 131 Ca 0.10 0.19 -0.51 0.00 -1.33 0.00 0.00 58.87 57.33 2dun n SER 131 Cb 0.52 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.38 2dun n SER 131 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dun n SER 132 N -3.67 3.13 0.00 -3.46 7.64 -1.26 -5.38 113.62 110.61 2dun n SER 132 Ca -0.07 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2dun n SER 132 Cb 0.26 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2dun n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64