#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf s SER 2 N 0.00 -0.52 -1.11 1.61 0.01 -1.26 -5.09 113.70 107.34 2dmf s SER 2 Ca 0.00 0.94 -0.17 0.00 1.31 0.00 0.00 55.95 58.03 2dmf s SER 2 Cb 0.00 0.90 0.13 0.00 0.21 0.00 0.00 66.02 67.26 2dmf s SER 2 CO 0.00 -0.18 1.39 -0.94 0.41 0.00 0.00 173.24 173.92 2dmf s SER 3 N 0.73 6.82 1.85 2.44 1.04 -1.26 -4.93 113.70 120.38 2dmf s SER 3 Ca -0.04 -2.40 0.00 0.00 0.48 0.00 0.00 55.95 53.99 2dmf s SER 3 Cb -0.05 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2dmf s SER 3 CO -0.05 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2dmf n GLY 4 N 5.13 3.71 0.00 7.32 0.00 -1.26 -3.78 105.19 116.31 2dmf n GLY 4 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2dmf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmf n SER 5 N 5.63 4.38 -4.20 1.61 3.41 -1.26 -5.03 113.62 118.17 2dmf n SER 5 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2dmf n SER 5 Cb 0.00 0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 2dmf n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmf n SER 6 N -1.59 0.08 0.00 4.04 2.88 -1.25 -4.91 113.62 112.87 2dmf n SER 6 Ca 0.00 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 2dmf n SER 6 Cb 0.24 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 2dmf n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmf n GLY 7 N -2.43 0.63 3.15 0.46 0.00 -1.26 -5.15 105.19 100.59 2dmf n GLY 7 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 2dmf n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dmf n GLU 8 N 0.00 0.64 0.00 1.61 1.02 -1.26 -5.10 120.64 117.55 2dmf n GLU 8 Ca 0.00 -3.24 0.00 0.00 -0.02 0.00 0.00 57.16 53.90 2dmf n GLU 8 Cb 0.00 1.64 0.00 0.00 -0.02 0.00 0.00 31.44 33.06 2dmf n GLU 8 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2dmf n GLU 9 N -0.90 0.00 -1.40 3.49 2.13 -1.26 -5.00 120.64 117.70 2dmf n GLU 9 Ca -0.07 0.00 -0.53 0.00 0.66 0.00 0.00 57.16 57.21 2dmf n GLU 9 Cb 0.57 -0.51 -0.08 0.00 0.27 0.00 0.00 31.44 31.69 2dmf n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2dmf n ASP 10 N -2.95 1.79 -3.29 4.31 9.92 -1.26 -4.87 116.55 120.19 2dmf n ASP 10 Ca 0.00 0.51 0.03 0.00 -0.53 0.00 0.00 54.79 54.80 2dmf n ASP 10 Cb 0.48 -1.17 -0.03 0.00 -0.64 0.00 0.00 41.12 39.77 2dmf n ASP 10 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2dmf s TRP 11 N 6.83 -0.96 -0.14 1.24 -0.00 -1.26 -5.03 118.94 119.62 2dmf s TRP 11 Ca 1.12 1.29 0.15 0.00 -0.00 0.00 0.00 56.10 58.65 2dmf s TRP 11 Cb -1.03 0.44 0.03 0.00 -0.00 0.00 0.00 33.47 32.90 2dmf s TRP 11 CO 0.54 -0.51 1.35 -0.39 -0.00 0.00 0.00 176.95 177.95 2dmf h VAL 12 N 5.64 0.84 -0.59 5.86 -1.51 -1.92 -3.31 116.25 121.27 2dmf h VAL 12 Ca -0.17 -2.23 0.12 0.00 -1.23 0.00 0.00 66.70 63.19 2dmf h VAL 12 Cb 1.14 2.38 -0.11 0.00 -2.13 0.00 0.00 31.29 32.57 2dmf h VAL 12 CO 0.08 0.48 -0.19 0.25 -1.23 0.00 0.00 177.57 176.96 2dmf h LEU 13 N 0.00 -0.69 0.02 4.19 7.12 -1.96 0.26 115.31 124.26 2dmf h LEU 13 Ca -0.03 0.19 -0.00 0.00 0.13 0.00 0.00 57.88 58.17 2dmf h LEU 13 Cb 1.42 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 41.97 2dmf h LEU 13 CO 0.06 -0.23 -0.01 1.55 -0.13 0.00 0.00 178.44 179.69 2dmf h PRO 14 N -0.05 -0.03 -0.70 5.25 0.13 -2.00 -2.91 132.00 131.70 2dmf h PRO 14 Ca 0.28 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.56 2dmf h PRO 14 Cb 0.47 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.50 2dmf h PRO 14 CO -0.63 0.45 0.11 0.77 -0.23 0.00 0.00 178.00 178.47 2dmf h SER 15 N -0.51 -0.11 -0.43 1.44 0.02 -1.53 -0.20 113.55 112.23 2dmf h SER 15 Ca -0.00 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2dmf h SER 15 Cb 0.49 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2dmf h SER 15 CO 0.00 -0.08 0.25 -0.08 -1.14 0.00 0.00 176.83 175.79 2dmf h GLU 16 N 0.21 0.59 -0.75 3.45 4.22 -1.00 -2.75 114.58 118.55 2dmf h GLU 16 Ca 0.39 -0.06 0.16 0.00 0.08 0.00 0.00 59.36 59.93 2dmf h GLU 16 Cb 0.66 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 2dmf h GLU 16 CO -0.53 0.45 0.23 0.28 -2.18 0.00 0.00 179.01 177.26 2dmf h VAL 17 N 0.57 0.57 -0.91 0.32 2.07 -0.84 -0.49 116.25 117.54 2dmf h VAL 17 Ca 0.15 -0.12 0.25 0.00 0.82 0.00 0.00 66.70 67.81 2dmf h VAL 17 Cb 0.02 0.20 -0.16 0.00 -1.52 0.00 0.00 31.29 29.84 2dmf h VAL 17 CO -0.03 0.06 0.17 -0.33 0.02 0.00 0.00 177.57 177.46 2dmf h GLU 18 N 0.34 0.12 -0.00 1.57 4.39 -1.12 0.90 114.58 120.78 2dmf h GLU 18 Ca 0.42 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.11 2dmf h GLU 18 Cb 0.69 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2dmf h GLU 18 CO -0.47 0.08 -0.00 0.28 -1.16 0.00 0.00 179.01 177.74 2dmf h VAL 19 N 0.12 1.35 -0.12 3.13 2.07 -1.19 -3.21 116.25 118.39 2dmf h VAL 19 Ca 0.57 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2dmf h VAL 19 Cb 1.18 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.93 2dmf h VAL 19 CO -0.74 0.26 -0.41 -0.07 0.02 0.00 0.00 177.57 176.63 2dmf h LEU 20 N -0.43 -1.29 -1.84 2.57 3.38 -0.60 0.11 115.31 117.21 2dmf h LEU 20 Ca 0.00 0.17 0.41 0.00 0.09 0.00 0.00 57.88 58.55 2dmf h LEU 20 Cb 0.43 0.53 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2dmf h LEU 20 CO 0.00 -0.42 0.98 -0.33 0.09 0.00 0.00 178.44 178.76 2dmf h GLU 21 N -0.49 0.06 -0.08 1.13 5.08 -1.05 1.44 114.58 120.68 2dmf h GLU 21 Ca 0.07 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 2dmf h GLU 21 Cb 0.62 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2dmf h GLU 21 CO -0.39 0.04 -0.64 1.03 -1.00 0.00 0.00 179.01 178.05 2dmf h SER 22 N 0.06 0.33 0.00 1.42 0.87 -0.79 -1.10 113.55 114.34 2dmf h SER 22 Ca 0.70 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 2dmf h SER 22 Cb 2.62 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 64.47 2dmf h SER 22 CO -0.10 0.88 -0.66 -0.38 -0.53 0.00 0.00 176.83 176.04 2dmf n ILE 23 N -3.86 1.44 -1.30 2.23 5.41 0.43 -4.43 119.36 119.28 2dmf n ILE 23 Ca -0.03 0.18 -0.31 0.00 1.00 0.00 0.00 62.75 63.59 2dmf n ILE 23 Cb 0.64 -2.34 0.06 0.00 -0.71 0.00 0.00 39.64 37.29 2dmf n ILE 23 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2dmf n TYR 24 N -4.58 2.70 -0.34 1.39 4.01 0.22 -4.74 117.16 115.83 2dmf n TYR 24 Ca -0.11 -2.64 0.05 0.00 -0.16 0.00 0.00 57.90 55.05 2dmf n TYR 24 Cb 0.34 -1.30 0.13 0.00 -0.31 0.00 0.00 39.34 38.19 2dmf n TYR 24 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2dmf n LEU 25 N -0.47 -0.35 -0.09 7.72 -0.00 -0.41 -1.28 117.00 122.11 2dmf n LEU 25 Ca 0.53 1.62 -0.17 0.00 -0.00 0.00 0.00 56.01 57.99 2dmf n LEU 25 Cb 0.58 -0.48 -0.07 0.00 -0.00 0.00 0.00 43.42 43.45 2dmf n LEU 25 CO 0.64 -1.55 -1.12 -0.67 -0.00 0.00 0.00 177.39 174.69 2dmf n ASP 26 N -5.53 1.84 -0.51 1.45 2.03 -1.26 -4.50 116.55 110.07 2dmf n ASP 26 Ca 0.15 0.10 0.44 0.00 0.52 0.00 0.00 54.79 56.00 2dmf n ASP 26 Cb 0.47 -0.44 0.72 0.00 -0.72 0.00 0.00 41.12 41.15 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dmf h GLU 27 N -0.41 0.00 -4.40 -0.67 5.08 -1.87 -3.38 114.58 108.93 2dmf h GLU 27 Ca -0.44 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.68 2dmf h GLU 27 Cb 1.49 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.53 2dmf h GLU 27 CO -0.20 0.00 -0.72 -1.17 -1.00 0.00 0.00 179.01 175.92 2dmf s LEU 28 N -7.59 2.26 -0.03 1.33 0.20 -0.41 -3.00 118.68 111.45 2dmf s LEU 28 Ca -0.04 -0.56 0.06 0.00 0.69 0.00 0.00 54.13 54.28 2dmf s LEU 28 Cb 0.23 -0.08 -0.01 0.00 -0.43 0.00 0.00 46.19 45.89 2dmf s LEU 28 CO 0.77 -0.24 -0.22 -1.10 -0.29 0.00 0.00 176.35 175.27 2dmf s GLN 29 N -1.65 1.97 -0.08 1.98 -0.21 0.10 -4.59 119.66 117.19 2dmf s GLN 29 Ca -0.11 -0.77 0.03 0.00 0.02 0.00 0.00 55.36 54.52 2dmf s GLN 29 Cb -0.09 -1.79 -0.02 0.00 1.00 0.00 0.00 33.01 32.10 2dmf s GLN 29 CO -0.00 0.40 -0.15 0.08 -2.12 0.00 0.00 175.29 173.49 2dmf s VAL 30 N -0.30 2.95 -0.04 1.09 1.01 -1.26 -0.23 120.40 123.61 2dmf s VAL 30 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2dmf s VAL 30 Cb -0.10 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2dmf s VAL 30 CO 0.01 0.57 -0.22 -0.63 0.00 0.00 0.00 175.10 174.82 2dmf s ILE 31 N -0.31 1.82 0.04 2.22 -1.09 0.27 -4.98 121.20 119.17 2dmf s ILE 31 Ca 0.02 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 2dmf s ILE 31 Cb -0.13 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 2dmf s ILE 31 CO 0.03 0.51 0.08 -0.54 -1.23 0.00 0.00 174.94 173.79 2dmf s LYS 32 N -0.20 2.96 -0.07 2.79 1.02 -1.26 -1.47 119.74 123.51 2dmf s LYS 32 Ca -0.01 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.37 2dmf s LYS 32 Cb -0.12 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 2dmf s LYS 32 CO 0.02 0.60 0.03 0.41 -0.92 0.00 0.00 175.35 175.49 2dmf n GLY 33 N 0.77 -1.32 2.54 -3.33 0.00 -0.72 -4.96 105.19 98.18 2dmf n GLY 33 Ca -0.10 0.27 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2dmf n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmf n ASN 34 N 1.56 2.14 0.00 1.61 5.15 -0.91 -4.86 115.26 119.95 2dmf n ASN 34 Ca -0.04 -3.05 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 2dmf n ASN 34 Cb 0.30 -0.54 0.00 0.00 -0.53 0.00 0.00 39.78 39.01 2dmf n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dmf n GLY 35 N -0.07 -0.60 0.16 8.20 0.00 -1.26 -4.66 105.19 106.96 2dmf n GLY 35 Ca 0.20 -1.23 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 2dmf n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmf h ARG 36 N 0.26 0.28 -0.68 1.61 2.47 -1.99 -3.03 114.38 113.31 2dmf h ARG 36 Ca 0.00 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2dmf h ARG 36 Cb 0.00 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 2dmf h ARG 36 CO 0.00 0.91 0.00 0.25 0.56 0.00 0.00 179.97 181.69 2dmf n THR 37 N -3.78 1.73 -4.30 2.04 -2.24 -1.26 -4.92 114.28 101.55 2dmf n THR 37 Ca -0.04 -0.93 -0.31 0.00 -2.27 0.00 0.00 64.05 60.51 2dmf n THR 37 Cb 0.72 -0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 2dmf n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dmf n SER 38 N 0.53 0.92 -4.51 3.42 7.64 -1.15 -4.60 113.62 115.88 2dmf n SER 38 Ca 0.19 -1.26 -0.29 0.00 1.01 0.00 0.00 58.87 58.52 2dmf n SER 38 Cb 0.84 -1.57 0.19 0.00 -1.01 0.00 0.00 64.21 62.66 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dmf s PRO 39 N -7.33 0.01 -0.22 1.43 0.04 -1.26 -3.90 135.00 123.77 2dmf s PRO 39 Ca 0.01 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 61.40 2dmf s PRO 39 Cb -0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2dmf s PRO 39 CO 0.99 -2.98 -0.07 -1.58 0.04 0.00 0.00 177.00 173.39 2dmf s TRP 40 N -2.97 2.95 -0.20 0.56 0.52 0.11 -1.75 118.94 118.16 2dmf s TRP 40 Ca 0.67 -1.20 -0.07 0.00 0.02 0.00 0.00 56.10 55.52 2dmf s TRP 40 Cb -0.17 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.05 2dmf s TRP 40 CO 0.57 -0.64 0.05 -2.00 0.02 0.00 0.00 176.95 174.95 2dmf s GLU 41 N 1.41 3.80 0.00 4.98 2.12 -0.54 0.13 118.70 130.61 2dmf s GLU 41 Ca 0.04 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.01 2dmf s GLU 41 Cb -0.15 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 2dmf s GLU 41 CO -0.05 0.10 -0.20 0.42 -0.54 0.00 0.00 175.26 174.99 2dmf s ILE 42 N 0.83 1.55 0.02 -3.70 1.01 0.57 0.93 121.20 122.41 2dmf s ILE 42 Ca 0.03 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.82 2dmf s ILE 42 Cb -0.14 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2dmf s ILE 42 CO 0.02 0.36 -0.19 -0.31 0.00 0.00 0.00 174.94 174.83 2dmf s TYR 43 N -0.55 1.66 -0.01 3.97 2.02 0.67 -0.46 117.35 124.66 2dmf s TYR 43 Ca 0.07 -0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 56.34 2dmf s TYR 43 Cb -0.08 -1.03 0.01 0.00 -0.40 0.00 0.00 41.96 40.46 2dmf s TYR 43 CO -0.00 0.03 0.18 -1.50 -1.57 0.00 0.00 175.55 172.69 2dmf s ILE 44 N -0.64 0.07 -0.34 2.71 2.07 -1.12 0.02 121.20 123.96 2dmf s ILE 44 Ca 0.07 -0.55 -0.04 0.00 -1.41 0.00 0.00 60.65 58.72 2dmf s ILE 44 Cb -0.08 -0.45 0.06 0.00 0.13 0.00 0.00 42.46 42.13 2dmf s ILE 44 CO 0.01 -0.30 0.09 -0.89 -1.91 0.00 0.00 174.94 171.93 2dmf s THR 45 N -1.16 3.34 -0.08 4.00 2.01 -1.16 -0.53 115.64 122.06 2dmf s THR 45 Ca -0.12 -1.46 -0.18 0.00 0.31 0.00 0.00 61.69 60.24 2dmf s THR 45 Cb -0.06 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 2dmf s THR 45 CO 0.02 -0.27 0.47 -0.76 -0.69 0.00 0.00 174.62 173.39 2dmf s LEU 46 N 1.28 4.33 0.06 4.42 1.43 -1.24 -4.99 118.68 123.97 2dmf s LEU 46 Ca -0.01 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 2dmf s LEU 46 Cb -0.20 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2dmf s LEU 46 CO -0.00 0.09 -0.23 -1.38 0.23 0.00 0.00 176.35 175.05 2dmf s HIS 47 N 0.16 1.98 1.10 0.29 -3.43 -1.26 -3.95 115.29 110.17 2dmf s HIS 47 Ca 0.26 -0.39 -0.16 0.00 -0.80 0.00 0.00 55.06 53.97 2dmf s HIS 47 Cb -0.16 -1.15 0.24 0.00 -1.43 0.00 0.00 32.58 30.08 2dmf s HIS 47 CO 0.12 0.14 1.10 -1.25 -2.00 0.00 0.00 174.74 172.85 2dmf s PRO 48 N -1.40 -0.40 -0.46 -0.38 0.04 -1.26 -4.81 135.00 126.32 2dmf s PRO 48 Ca 0.09 0.23 -0.02 0.00 0.04 0.00 0.00 61.00 61.34 2dmf s PRO 48 Cb -0.09 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.90 2dmf s PRO 48 CO 0.03 -3.23 0.25 0.00 0.04 0.00 0.00 177.00 174.09 2dmf s ALA 49 N -2.98 3.25 0.36 8.56 0.00 -1.26 -4.91 121.76 124.77 2dmf s ALA 49 Ca 0.68 -2.78 -0.02 0.00 0.00 0.00 0.00 51.96 49.84 2dmf s ALA 49 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.58 2dmf s ALA 49 CO 0.57 -1.88 0.51 0.95 0.00 0.00 0.00 175.76 175.90 2dmf s THR 50 N 0.70 0.00 0.02 0.00 -4.23 -1.26 -5.04 115.64 105.83 2dmf s THR 50 Ca 0.11 -1.57 -0.27 0.00 -1.18 0.00 0.00 61.69 58.79 2dmf s THR 50 Cb -0.22 -2.70 -0.15 0.00 1.34 0.00 0.00 72.50 70.77 2dmf s THR 50 CO -0.04 0.00 1.17 0.00 -0.54 0.00 0.00 174.62 175.21 2dmf h ALA 51 N 2.07 -1.03 -0.75 3.99 0.00 -1.99 -3.22 119.26 118.33 2dmf h ALA 51 Ca -0.28 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.50 2dmf h ALA 51 Cb 1.24 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 2dmf h ALA 51 CO 0.39 -0.96 0.41 1.49 0.00 0.00 0.00 179.25 180.58 2dmf h GLU 52 N -1.20 0.68 -0.89 0.00 4.81 -1.99 -1.94 114.58 114.05 2dmf h GLU 52 Ca -0.10 -0.04 0.36 0.00 -0.13 0.00 0.00 59.36 59.45 2dmf h GLU 52 Cb 0.75 -0.15 -0.14 0.00 0.63 0.00 0.00 28.75 29.83 2dmf h GLU 52 CO 0.16 0.45 0.50 -3.47 -0.73 0.00 0.00 179.01 175.93 2dmf n ASP 53 N -4.80 0.27 -4.54 1.04 2.03 -1.22 -4.04 116.55 105.30 2dmf n ASP 53 Ca 0.12 1.33 -0.35 0.00 0.52 0.00 0.00 54.79 56.40 2dmf n ASP 53 Cb 0.25 -0.65 -0.06 0.00 -0.72 0.00 0.00 41.12 39.94 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmf n GLN 54 N -4.76 0.75 -2.50 -0.67 6.02 -0.73 -1.62 117.38 113.86 2dmf n GLN 54 Ca 0.32 -0.06 -0.07 0.00 -0.01 0.00 0.00 57.00 57.17 2dmf n GLN 54 Cb 1.11 -2.98 0.04 0.00 1.02 0.00 0.00 30.24 29.43 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2dmf n ASP 55 N 14.71 -2.96 -3.49 1.08 8.00 -1.26 -5.06 116.55 127.58 2dmf n ASP 55 Ca 0.45 -0.30 0.01 0.00 0.71 0.00 0.00 54.79 55.65 2dmf n ASP 55 Cb 0.42 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 38.83 2dmf n ASP 55 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2dmf s SER 56 N -3.43 -1.05 -0.71 -2.24 1.04 -0.64 -5.04 113.70 101.62 2dmf s SER 56 Ca 0.09 1.24 -0.02 0.00 0.48 0.00 0.00 55.95 57.74 2dmf s SER 56 Cb -0.01 2.12 0.36 0.00 0.10 0.00 0.00 66.02 68.58 2dmf s SER 56 CO 0.34 -0.20 2.09 0.00 0.98 0.00 0.00 173.24 176.45 2dmf n GLN 57 N 5.35 2.64 0.25 4.02 0.00 -1.26 -4.70 117.38 123.68 2dmf n GLN 57 Ca -0.09 -3.21 -0.10 0.00 0.00 0.00 0.00 57.00 53.60 2dmf n GLN 57 Cb 0.50 -2.23 -0.05 0.00 0.00 0.00 0.00 30.24 28.47 2dmf n GLN 57 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 2dmf h TYR 58 N 2.51 -0.60 -3.35 2.61 5.03 -1.96 -3.42 116.97 117.79 2dmf h TYR 58 Ca 0.55 -0.01 -0.66 0.00 2.58 0.00 0.00 58.73 61.19 2dmf h TYR 58 Cb 0.45 0.20 -0.27 0.00 1.55 0.00 0.00 36.73 38.65 2dmf h TYR 58 CO 1.28 -0.37 -0.73 0.54 -1.32 0.00 0.00 178.16 177.56 2dmf s VAL 59 N -4.39 3.28 -0.11 1.81 0.11 -1.26 -4.50 120.40 115.33 2dmf s VAL 59 Ca -0.09 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 2dmf s VAL 59 Cb 0.01 -2.45 0.09 0.00 -1.53 0.00 0.00 36.38 32.50 2dmf s VAL 59 CO 0.28 0.47 0.82 0.00 -3.33 0.00 0.00 175.10 173.33 2dmf s PHE 61 N -1.00 0.71 -1.03 0.00 -0.71 -1.25 -2.55 117.98 112.14 2dmf s PHE 61 Ca -0.06 -0.22 -0.23 0.00 -1.04 0.00 0.00 56.93 55.37 2dmf s PHE 61 Cb -0.01 -0.83 -0.03 0.00 -1.21 0.00 0.00 43.02 40.94 2dmf s PHE 61 CO 0.06 -0.35 1.85 0.99 -1.34 0.00 0.00 175.22 176.42 2dmf s THR 62 N 1.96 3.61 -0.44 -4.49 2.01 -1.13 -3.71 115.64 113.45 2dmf s THR 62 Ca 0.05 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2dmf s THR 62 Cb -0.13 -4.42 -0.09 0.00 0.01 0.00 0.00 72.50 67.87 2dmf s THR 62 CO -0.05 -1.21 2.34 -0.11 -0.69 0.00 0.00 174.62 174.90 2dmf n LEU 63 N 12.81 2.29 -4.64 4.42 0.00 0.31 -3.44 117.00 128.76 2dmf n LEU 63 Ca 0.41 -0.01 -0.42 0.00 0.00 0.00 0.00 56.01 55.99 2dmf n LEU 63 Cb 0.47 -1.42 -0.04 0.00 0.00 0.00 0.00 43.42 42.43 2dmf n LEU 63 CO 0.64 -1.03 0.67 -0.69 0.00 0.00 0.00 177.39 176.98 2dmf s VAL 64 N 9.59 4.79 -0.29 1.96 1.01 -0.53 -2.80 120.40 134.13 2dmf s VAL 64 Ca 1.06 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.56 2dmf s VAL 64 Cb -0.51 -4.16 0.06 0.00 0.00 0.00 0.00 36.38 31.77 2dmf s VAL 64 CO 0.37 -0.15 -0.03 -0.76 0.00 0.00 0.00 175.10 174.53 2dmf s LEU 65 N 2.95 3.85 -0.54 3.92 1.43 0.39 -1.84 118.68 128.85 2dmf s LEU 65 Ca 0.36 -1.40 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 2dmf s LEU 65 Cb -0.15 -1.66 0.13 0.00 0.03 0.00 0.00 46.19 44.55 2dmf s LEU 65 CO 0.09 -0.25 0.46 -1.58 0.23 0.00 0.00 176.35 175.29 2dmf s GLN 66 N 1.18 2.82 -0.44 1.70 0.74 -1.01 -0.32 119.66 124.34 2dmf s GLN 66 Ca -0.05 -1.81 -0.25 0.00 0.05 0.00 0.00 55.36 53.30 2dmf s GLN 66 Cb -0.20 -4.15 0.02 0.00 1.10 0.00 0.00 33.01 29.78 2dmf s GLN 66 CO -0.03 -1.27 0.90 0.08 -0.55 0.00 0.00 175.29 174.42 2dmf s VAL 67 N 1.36 4.53 0.34 1.34 1.01 0.12 -1.14 120.40 127.96 2dmf s VAL 67 Ca 0.05 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 2dmf s VAL 67 Cb -0.27 -4.39 0.08 0.00 0.00 0.00 0.00 36.38 31.81 2dmf s VAL 67 CO 0.01 -0.74 0.30 -0.81 0.00 0.00 0.00 175.10 173.85 2dmf n PRO 68 N 7.00 -1.61 0.08 2.72 -0.04 -1.26 -0.71 135.00 141.18 2dmf n PRO 68 Ca 0.06 -0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 62.90 2dmf n PRO 68 Cb 0.48 -0.45 -0.06 0.00 -0.04 0.00 0.00 33.50 33.43 2dmf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf h ALA 69 N -2.21 0.32 -0.05 0.55 0.00 -1.91 -3.31 119.26 112.65 2dmf h ALA 69 Ca -0.11 -0.75 0.01 0.00 0.00 0.00 0.00 54.91 54.06 2dmf h ALA 69 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dmf h ALA 69 CO 0.07 0.86 -0.01 0.93 0.00 0.00 0.00 179.25 181.10 2dmf h GLU 70 N 0.18 -0.00 -2.86 0.00 5.08 -1.90 -3.45 114.58 111.63 2dmf h GLU 70 Ca -0.09 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 2dmf h GLU 70 Cb 1.66 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.97 2dmf h GLU 70 CO 0.17 -0.00 -0.32 0.98 -1.00 0.00 0.00 179.01 178.83 2dmf n TYR 71 N -5.12 -0.51 0.98 4.33 4.19 -1.25 -0.77 117.16 119.01 2dmf n TYR 71 Ca -0.06 0.40 0.05 0.00 3.31 0.00 0.00 57.90 61.60 2dmf n TYR 71 Cb 0.06 -0.90 0.27 0.00 0.49 0.00 0.00 39.34 39.26 2dmf n TYR 71 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2dmf n PRO 72 N 0.53 0.49 -0.02 2.98 -0.04 -1.26 -4.78 135.00 132.89 2dmf n PRO 72 Ca 0.07 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2dmf n PRO 72 Cb 0.14 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2dmf n PRO 72 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dmf n HIS 73 N -0.80 0.05 -3.15 0.54 8.25 0.05 -1.75 115.22 118.41 2dmf n HIS 73 Ca 0.07 -0.42 0.06 0.00 -0.26 0.00 0.00 57.72 57.16 2dmf n HIS 73 Cb 0.03 -0.23 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 2dmf n HIS 73 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2dmf s GLU 74 N -0.25 0.10 0.27 -0.41 2.56 -1.26 -4.80 118.70 114.90 2dmf s GLU 74 Ca 0.01 0.14 -0.29 0.00 0.00 0.00 0.00 54.97 54.83 2dmf s GLU 74 Cb 0.01 0.08 -0.14 0.00 2.00 0.00 0.00 34.13 36.07 2dmf s GLU 74 CO 0.00 -0.14 1.07 1.33 -0.56 0.00 0.00 175.26 176.97 2dmf n VAL 75 N 5.31 1.71 -2.21 3.70 0.24 -1.26 -3.88 118.33 121.95 2dmf n VAL 75 Ca -0.01 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.45 2dmf n VAL 75 Cb 0.56 -1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 31.88 2dmf n VAL 75 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dmf s PRO 76 N -1.26 4.35 -0.38 7.34 0.04 -1.26 -4.79 135.00 139.03 2dmf s PRO 76 Ca 0.62 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.42 2dmf s PRO 76 Cb -0.72 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.50 2dmf s PRO 76 CO 0.58 -0.38 2.33 0.94 0.04 0.00 0.00 177.00 180.51 2dmf n GLN 77 N 3.69 1.39 -3.03 4.56 -0.06 -0.29 -4.59 117.38 119.05 2dmf n GLN 77 Ca 0.10 0.25 -0.41 0.00 -2.00 0.00 0.00 57.00 54.94 2dmf n GLN 77 Cb 0.43 -3.20 -0.05 0.00 -4.06 0.00 0.00 30.24 23.35 2dmf n GLN 77 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2dmf s ILE 78 N 10.04 4.94 -0.01 1.69 1.01 -1.26 -2.39 121.20 135.23 2dmf s ILE 78 Ca 1.02 1.30 0.02 0.00 0.00 0.00 0.00 60.65 62.99 2dmf s ILE 78 Cb -0.35 -4.00 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 2dmf s ILE 78 CO 0.33 0.01 -0.05 -0.44 0.00 0.00 0.00 174.94 174.79 2dmf s SER 79 N 1.36 0.59 -0.21 3.58 0.01 -0.76 -4.99 113.70 113.28 2dmf s SER 79 Ca 0.30 -0.09 -0.23 0.00 1.31 0.00 0.00 55.95 57.24 2dmf s SER 79 Cb -0.16 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 2dmf s SER 79 CO 0.09 0.06 0.72 -0.63 0.41 0.00 0.00 173.24 173.88 2dmf s ILE 80 N -0.07 4.95 0.25 1.44 -1.09 -1.26 -1.45 121.20 123.97 2dmf s ILE 80 Ca 0.01 1.36 0.11 0.00 -2.23 0.00 0.00 60.65 59.91 2dmf s ILE 80 Cb -0.02 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.78 2dmf s ILE 80 CO -0.00 0.04 -0.19 -0.60 -1.23 0.00 0.00 174.94 172.96 2dmf s ARG 81 N 2.23 1.71 -1.35 2.79 3.52 -1.22 -4.75 118.95 121.88 2dmf s ARG 81 Ca 0.32 -1.65 -0.10 0.00 -0.13 0.00 0.00 55.73 54.17 2dmf s ARG 81 Cb -0.16 -1.84 0.01 0.00 -1.56 0.00 0.00 34.95 31.40 2dmf s ARG 81 CO 0.10 0.36 0.19 0.27 -0.81 0.00 0.00 175.30 175.41 2dmf n ASN 82 N -0.39 -0.51 -4.66 -2.12 0.23 -1.26 -2.84 115.26 103.71 2dmf n ASN 82 Ca -0.07 -1.20 -0.43 0.00 -0.53 0.00 0.00 54.58 52.35 2dmf n ASN 82 Cb 0.59 -1.47 -0.03 0.00 -2.08 0.00 0.00 39.78 36.79 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2dmf s PRO 83 N -7.15 4.16 -0.06 -0.53 0.04 -1.26 -4.45 135.00 125.73 2dmf s PRO 83 Ca 0.14 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.19 2dmf s PRO 83 Cb -0.08 -3.92 -0.00 0.00 0.04 0.00 0.00 34.50 30.54 2dmf s PRO 83 CO 0.92 -0.85 -0.22 0.50 0.04 0.00 0.00 177.00 177.39 2dmf s ARG 84 N 3.94 2.36 0.00 4.56 6.06 -1.06 -4.77 118.95 130.04 2dmf s ARG 84 Ca 0.67 -0.78 0.00 0.00 -2.50 0.00 0.00 55.73 53.12 2dmf s ARG 84 Cb -0.29 -1.96 0.00 0.00 0.06 0.00 0.00 34.95 32.77 2dmf s ARG 84 CO 0.25 0.28 0.00 0.41 -2.50 0.00 0.00 175.30 173.74 2dmf n GLY 85 N 3.16 1.46 3.76 8.12 0.00 -1.26 -3.18 105.19 117.25 2dmf n GLY 85 Ca -0.18 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2dmf n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmf s LEU 86 N 0.00 3.38 0.20 0.99 1.43 -1.26 -4.64 118.68 118.78 2dmf s LEU 86 Ca 0.00 2.06 0.08 0.00 -1.03 0.00 0.00 54.13 55.24 2dmf s LEU 86 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2dmf s LEU 86 CO 0.00 -1.72 -0.04 -0.55 0.23 0.00 0.00 176.35 174.27 2dmf s SER 87 N -2.48 4.51 0.32 2.29 0.15 -1.26 -4.93 113.70 112.29 2dmf s SER 87 Ca 0.68 -0.53 0.08 0.00 0.70 0.00 0.00 55.95 56.88 2dmf s SER 87 Cb -0.22 -0.86 0.92 0.00 -1.71 0.00 0.00 66.02 64.16 2dmf s SER 87 CO 0.42 0.07 1.51 0.47 1.20 0.00 0.00 173.24 176.91 2dmf n ASP 88 N -0.23 0.04 -0.04 5.45 8.00 -1.26 0.93 116.55 129.44 2dmf n ASP 88 Ca -0.09 1.62 -0.10 0.00 0.71 0.00 0.00 54.79 56.93 2dmf n ASP 88 Cb 0.56 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 2dmf n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2dmf h GLU 89 N 0.00 0.20 -0.34 -1.24 4.81 -2.00 -1.00 114.58 115.01 2dmf h GLU 89 Ca 0.66 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.84 2dmf h GLU 89 Cb 1.53 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 2dmf h GLU 89 CO -0.85 0.13 0.07 1.96 -0.73 0.00 0.00 179.01 179.59 2dmf h GLN 90 N 0.20 0.56 -1.00 1.92 1.08 0.16 -2.90 115.11 115.15 2dmf h GLN 90 Ca 0.08 -0.15 0.08 0.00 -1.45 0.00 0.00 58.65 57.21 2dmf h GLN 90 Cb 0.01 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 27.30 2dmf h GLN 90 CO -0.05 0.63 0.64 0.82 -0.95 0.00 0.00 178.83 179.92 2dmf h ILE 91 N 0.40 1.03 -0.60 2.54 2.04 -0.51 -1.45 117.51 120.96 2dmf h ILE 91 Ca 0.11 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2dmf h ILE 91 Cb 0.33 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 2dmf h ILE 91 CO 0.00 0.20 0.35 -0.74 0.00 0.00 0.00 178.15 177.97 2dmf h HIS 92 N 1.10 0.66 0.64 1.37 2.76 -0.98 -2.90 115.15 117.80 2dmf h HIS 92 Ca 0.45 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.61 2dmf h HIS 92 Cb 0.28 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.03 2dmf h HIS 92 CO -0.00 0.36 -0.31 1.15 -1.30 0.00 0.00 177.93 177.83 2dmf h THR 93 N 0.69 0.13 -0.74 6.26 2.02 -1.22 -3.02 112.91 117.03 2dmf h THR 93 Ca 0.25 -0.34 0.13 0.00 0.77 0.00 0.00 66.41 67.22 2dmf h THR 93 Cb 0.06 0.18 -0.13 0.00 -1.74 0.00 0.00 68.15 66.53 2dmf h THR 93 CO -0.12 0.02 -0.24 -0.38 0.37 0.00 0.00 175.52 175.16 2dmf n ILE 94 N -5.36 -0.36 0.34 3.11 5.41 -0.63 -0.11 119.36 121.76 2dmf n ILE 94 Ca -0.12 1.72 -0.19 0.00 1.00 0.00 0.00 62.75 65.17 2dmf n ILE 94 Cb 0.36 -2.32 -0.10 0.00 -0.71 0.00 0.00 39.64 36.87 2dmf n ILE 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2dmf h LEU 95 N 0.00 -1.33 -0.74 1.39 3.38 -1.53 -2.00 115.31 114.49 2dmf h LEU 95 Ca 0.30 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.43 2dmf h LEU 95 Cb 0.49 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 41.57 2dmf h LEU 95 CO -0.75 -0.70 -0.44 0.00 0.09 0.00 0.00 178.44 176.65 2dmf n GLN 96 N -5.53 -0.33 0.07 1.13 6.02 0.84 -0.24 117.38 119.35 2dmf n GLN 96 Ca -0.13 1.14 -0.04 0.00 -0.01 0.00 0.00 57.00 57.96 2dmf n GLN 96 Cb 0.48 -1.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dmf h VAL 97 N 0.00 0.00 -0.67 5.09 2.07 -1.34 -1.37 116.25 120.02 2dmf h VAL 97 Ca 0.12 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.83 2dmf h VAL 97 Cb 0.30 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 2dmf h VAL 97 CO -0.70 0.00 1.05 -0.07 0.02 0.00 0.00 177.57 177.88 2dmf h LEU 98 N -0.22 0.00 0.08 2.57 3.38 -0.50 0.69 115.31 121.31 2dmf h LEU 98 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2dmf h LEU 98 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2dmf h LEU 98 CO -0.01 0.00 -0.52 1.23 0.09 0.00 0.00 178.44 179.23 2dmf h GLY 99 N 0.00 0.24 0.91 0.83 0.00 0.44 -3.23 103.07 102.26 2dmf h GLY 99 Ca 0.32 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2dmf h GLY 99 CO -0.00 0.50 0.04 0.45 0.00 0.00 0.00 176.54 177.53 2dmf h HIS 100 N -0.55 0.12 -0.95 5.60 3.86 0.12 -1.22 115.15 122.13 2dmf h HIS 100 Ca -0.09 -0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.33 2dmf h HIS 100 Cb 1.38 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 29.74 2dmf h HIS 100 CO 0.22 0.18 0.62 0.28 0.86 0.00 0.00 177.93 180.09 2dmf h VAL 101 N 0.02 0.66 0.16 2.45 2.07 -1.53 0.18 116.25 120.26 2dmf h VAL 101 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2dmf h VAL 101 Cb 0.11 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2dmf h VAL 101 CO -0.00 0.09 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 2dmf h ALA 102 N 1.61 -0.22 -0.55 1.67 0.00 -1.48 -2.89 119.26 117.40 2dmf h ALA 102 Ca 0.52 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 55.39 2dmf h ALA 102 Cb 1.18 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2dmf h ALA 102 CO -0.24 -0.26 0.40 0.87 0.00 0.00 0.00 179.25 180.03 2dmf h LYS 103 N -0.95 0.00 0.00 0.00 1.57 -0.68 0.56 116.57 117.06 2dmf h LYS 103 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2dmf h LYS 103 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2dmf h LYS 103 CO 0.04 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 2dmf h ALA 104 N 1.71 1.00 -0.92 3.86 0.00 -0.71 -3.28 119.26 120.92 2dmf h ALA 104 Ca 0.26 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.60 2dmf h ALA 104 Cb 1.06 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.44 2dmf h ALA 104 CO -0.00 0.00 -0.68 0.41 0.00 0.00 0.00 179.25 178.98 2dmf n GLY 105 N 1.17 6.28 3.79 0.00 0.00 0.19 -5.06 105.19 111.56 2dmf n GLY 105 Ca 0.05 -2.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.06 2dmf n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmf s LEU 106 N -3.61 3.74 0.00 0.99 1.43 -1.08 -3.39 118.68 116.77 2dmf s LEU 106 Ca 0.51 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2dmf s LEU 106 Cb 0.41 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2dmf s LEU 106 CO -0.02 -1.07 0.00 0.61 0.23 0.00 0.00 176.35 176.11 2dmf n GLY 107 N -0.15 2.28 2.95 -3.19 0.00 -0.72 -4.96 105.19 101.41 2dmf n GLY 107 Ca 0.10 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2dmf n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmf n THR 108 N 0.00 0.00 -2.39 2.61 -2.24 -1.22 -4.65 114.28 106.39 2dmf n THR 108 Ca 0.00 -1.67 -0.42 0.00 -2.27 0.00 0.00 64.05 59.69 2dmf n THR 108 Cb 0.00 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.02 2dmf n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmf s ALA 109 N -2.60 3.48 -0.00 6.98 0.00 -1.26 -4.80 121.76 123.55 2dmf s ALA 109 Ca 0.26 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2dmf s ALA 109 Cb -0.02 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 2dmf s ALA 109 CO 0.17 -0.68 -0.00 0.00 0.00 0.00 0.00 175.76 175.25 2dmf n MET 110 N 4.77 3.00 0.00 0.00 3.85 -1.26 -4.77 117.12 122.70 2dmf n MET 110 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 57.70 56.81 2dmf n MET 110 Cb 0.46 -1.01 0.00 0.00 -1.05 0.00 0.00 33.22 31.62 2dmf n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2dmf n LEU 111 N -2.13 0.00 -0.34 3.17 4.77 -1.26 0.82 117.00 122.02 2dmf n LEU 111 Ca -0.01 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 2dmf n LEU 111 Cb 0.51 -0.26 0.24 0.00 -2.33 0.00 0.00 43.42 41.58 2dmf n LEU 111 CO 0.01 -0.26 0.76 0.22 -1.33 0.00 0.00 177.39 176.79 2dmf h TYR 112 N 0.00 -0.19 0.38 -1.77 3.20 -1.98 -1.29 116.97 115.32 2dmf h TYR 112 Ca 0.00 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2dmf h TYR 112 Cb 0.00 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2dmf h TYR 112 CO -0.49 -0.42 -0.18 0.93 -1.64 0.00 0.00 178.16 176.36 2dmf h GLU 113 N 0.01 -0.50 -0.86 1.82 5.08 0.11 -2.58 114.58 117.67 2dmf h GLU 113 Ca 0.55 0.03 0.34 0.00 -1.00 0.00 0.00 59.36 59.29 2dmf h GLU 113 Cb 1.06 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 2dmf h GLU 113 CO -0.94 -0.33 0.48 1.28 -1.00 0.00 0.00 179.01 178.50 2dmf n LEU 114 N -3.54 0.26 0.02 1.33 4.77 0.14 0.15 117.00 120.13 2dmf n LEU 114 Ca -0.06 1.28 -0.13 0.00 -0.03 0.00 0.00 56.01 57.07 2dmf n LEU 114 Cb 0.20 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 2dmf n LEU 114 CO 0.15 -1.43 0.71 0.40 -1.33 0.00 0.00 177.39 175.89 2dmf h ILE 115 N 0.00 1.19 0.11 -0.08 2.04 -1.13 -2.68 117.51 116.97 2dmf h ILE 115 Ca 0.68 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2dmf h ILE 115 Cb 1.89 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 39.60 2dmf h ILE 115 CO -0.57 0.18 -0.39 -0.33 0.00 0.00 0.00 178.15 177.04 2dmf h GLU 116 N -0.35 -0.55 -0.70 2.37 5.08 0.18 -2.52 114.58 118.10 2dmf h GLU 116 Ca -0.00 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 2dmf h GLU 116 Cb 0.33 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 2dmf h GLU 116 CO 0.01 -0.37 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.15 2dmf h LYS 117 N -0.57 -0.08 -1.00 2.33 1.63 -1.50 0.17 116.57 117.56 2dmf h LYS 117 Ca -0.01 0.01 0.38 0.00 -0.85 0.00 0.00 60.65 60.18 2dmf h LYS 117 Cb 0.56 0.02 -0.18 0.00 -0.60 0.00 0.00 32.23 32.03 2dmf h LYS 117 CO -0.20 -0.05 0.46 0.78 -3.45 0.00 0.00 179.45 176.99 2dmf h GLY 118 N -0.08 2.07 0.58 5.01 0.00 -1.09 -0.49 103.07 109.07 2dmf h GLY 118 Ca 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 2dmf h GLY 118 CO -0.75 -0.71 -0.28 0.50 0.00 0.00 0.00 176.54 175.30 2dmf h LYS 119 N 0.05 -0.75 -1.40 4.80 1.57 -0.53 -1.92 116.57 118.38 2dmf h LYS 119 Ca 0.79 0.05 0.40 0.00 -1.87 0.00 0.00 60.65 60.03 2dmf h LYS 119 Cb 1.99 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 34.42 2dmf h LYS 119 CO -0.77 -0.50 1.06 1.05 -0.57 0.00 0.00 179.45 179.71 2dmf h GLU 120 N -0.94 0.00 0.22 3.15 4.11 -1.04 0.31 114.58 120.39 2dmf h GLU 120 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2dmf h GLU 120 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dmf h GLU 120 CO 0.13 0.00 -0.10 0.82 0.07 0.00 0.00 179.01 179.93 2dmf h ILE 121 N 0.00 0.47 0.31 -1.06 2.04 -1.07 -3.15 117.51 115.06 2dmf h ILE 121 Ca 0.66 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2dmf h ILE 121 Cb 2.77 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 2dmf h ILE 121 CO -0.01 0.13 -0.15 0.25 0.00 0.00 0.00 178.15 178.37 2dmf h LEU 122 N -0.99 -0.35 -0.95 1.44 5.85 -0.13 -2.50 115.31 117.68 2dmf h LEU 122 Ca -0.03 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.77 2dmf h LEU 122 Cb 0.43 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.41 2dmf h LEU 122 CO 0.05 -0.17 -0.45 0.74 -0.34 0.00 0.00 178.44 178.27 2dmf h THR 123 N -0.51 0.01 -0.40 1.05 2.02 -0.65 0.33 112.91 114.75 2dmf h THR 123 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.17 2dmf h THR 123 Cb 0.38 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 2dmf h THR 123 CO 0.07 0.00 0.19 -0.78 0.37 0.00 0.00 175.52 175.37 2dmf h ASP 124 N -0.02 0.26 -3.01 4.18 3.58 -1.49 -3.29 116.42 116.61 2dmf h ASP 124 Ca 0.28 0.03 -0.65 0.00 0.42 0.00 0.00 57.03 57.11 2dmf h ASP 124 Cb 0.54 -0.02 -0.40 0.00 1.72 0.00 0.00 39.33 41.18 2dmf h ASP 124 CO -0.94 0.19 -0.40 -0.46 -2.88 0.00 0.00 179.24 174.74 2dmf n ASN 125 N -4.94 3.56 -0.03 2.28 6.94 0.95 -4.81 115.26 119.21 2dmf n ASN 125 Ca 0.02 -3.23 -0.07 0.00 -0.02 0.00 0.00 54.58 51.28 2dmf n ASN 125 Cb 0.11 -0.84 -0.02 0.00 -2.36 0.00 0.00 39.78 36.67 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2dmf n ASN 126 N 1.87 0.51 -3.18 0.53 6.94 0.01 -4.62 115.26 117.31 2dmf n ASN 126 Ca 0.22 0.09 -0.43 0.00 -0.02 0.00 0.00 54.58 54.44 2dmf n ASN 126 Cb 0.36 -0.21 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2dmf n ILE 127 N -3.32 0.00 -2.04 1.53 -0.00 -1.26 -4.72 119.36 109.55 2dmf n ILE 127 Ca -0.12 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.27 2dmf n ILE 127 Cb 0.56 -0.10 -0.04 0.00 -0.00 0.00 0.00 39.64 40.06 2dmf n ILE 127 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2dmf s PRO 128 N 0.60 2.60 -0.05 0.38 0.04 -1.26 -4.85 135.00 132.46 2dmf s PRO 128 Ca 0.66 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.93 2dmf s PRO 128 Cb -0.93 -4.56 -0.10 0.00 0.04 0.00 0.00 34.50 28.95 2dmf s PRO 128 CO 0.45 -2.90 0.62 0.45 0.04 0.00 0.00 177.00 175.66 2dmf h HIS 129 N 14.05 -0.33 -2.85 0.56 3.86 -1.84 -3.45 115.15 125.15 2dmf h HIS 129 Ca -0.17 -0.01 -0.64 0.00 -1.16 0.00 0.00 60.37 58.40 2dmf h HIS 129 Cb 1.12 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.64 2dmf h HIS 129 CO 1.09 -0.07 -0.35 0.20 0.86 0.00 0.00 177.93 179.66 2dmf s GLY 130 N -3.15 2.30 0.19 2.45 0.00 -1.26 -5.07 107.32 102.77 2dmf s GLY 130 Ca -0.09 -0.46 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 2dmf s GLY 130 CO 0.29 -0.18 0.94 1.20 0.00 0.00 0.00 173.10 175.35 2dmf s GLN 131 N -1.24 4.78 -0.20 2.90 -1.52 -1.26 -4.96 119.66 118.17 2dmf s GLN 131 Ca 0.22 1.46 -0.29 0.00 -1.95 0.00 0.00 55.36 54.79 2dmf s GLN 131 Cb -0.14 -3.32 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 2dmf s GLN 131 CO 0.11 0.41 1.74 0.45 -0.25 0.00 0.00 175.29 177.74 2dmf s SER 132 N -0.73 6.24 -0.20 5.90 0.15 -1.26 -4.91 113.70 118.90 2dmf s SER 132 Ca 0.43 1.75 -0.29 0.00 0.70 0.00 0.00 55.95 58.54 2dmf s SER 132 Cb -0.25 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.47 2dmf s SER 132 CO 0.31 -1.35 2.20 0.61 1.20 0.00 0.00 173.24 176.21 2dmf n GLY 133 N 4.83 1.08 0.21 9.45 0.00 -1.26 -4.83 105.19 114.68 2dmf n GLY 133 Ca 0.20 0.79 0.15 0.00 0.00 0.00 0.00 46.02 47.17 2dmf n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmf h PRO 134 N 14.49 0.00 -0.52 1.61 0.13 -2.04 -3.11 132.00 142.56 2dmf h PRO 134 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2dmf h PRO 134 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2dmf h PRO 134 CO 0.96 0.00 0.33 1.03 -0.23 0.00 0.00 178.00 180.10 2dmf h SER 135 N 0.00 0.60 -7.06 1.44 0.87 -2.02 -3.45 113.55 103.93 2dmf h SER 135 Ca 0.00 -0.03 -0.61 0.00 -1.23 0.00 0.00 61.79 59.93 2dmf h SER 135 Cb 0.43 -0.15 -0.30 0.00 -0.44 0.00 0.00 62.40 61.93 2dmf h SER 135 CO 0.00 0.45 -0.90 -1.20 -0.53 0.00 0.00 176.83 174.64 2dmf n SER 136 N -4.72 -1.58 0.00 6.23 7.64 -1.18 -5.33 113.62 114.69 2dmf n SER 136 Ca 0.03 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2dmf n SER 136 Cb 0.03 -1.91 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 2dmf n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64