#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf n SER 2 N 0.00 -5.62 -4.33 1.61 7.64 -1.26 -2.07 113.62 109.58 2dmf n SER 2 Ca 0.00 -0.56 -0.39 0.00 1.01 0.00 0.00 58.87 58.94 2dmf n SER 2 Cb 0.00 -5.03 -0.04 0.00 -1.01 0.00 0.00 64.21 58.12 2dmf n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dmf n SER 3 N -3.04 -2.80 -0.00 6.43 3.41 -1.26 -4.84 113.62 111.52 2dmf n SER 3 Ca -0.04 -1.09 -0.00 0.00 -0.26 0.00 0.00 58.87 57.48 2dmf n SER 3 Cb 0.58 -2.37 -0.00 0.00 -0.26 0.00 0.00 64.21 62.16 2dmf n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmf n GLY 4 N -1.29 -0.40 3.83 5.00 0.00 -0.88 -5.01 105.19 106.44 2dmf n GLY 4 Ca 0.09 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2dmf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmf s SER 5 N -4.15 6.91 0.62 1.61 1.04 -1.26 -5.01 113.70 113.45 2dmf s SER 5 Ca -0.00 1.21 -0.15 0.00 0.48 0.00 0.00 55.95 57.49 2dmf s SER 5 Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 2dmf s SER 5 CO 0.00 0.07 1.07 -0.55 0.98 0.00 0.00 173.24 174.81 2dmf s SER 6 N -1.71 5.59 0.00 7.02 0.15 -1.26 -4.65 113.70 118.84 2dmf s SER 6 Ca 0.40 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.90 2dmf s SER 6 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2dmf s SER 6 CO 0.20 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.95 2dmf n GLY 7 N -0.92 -0.18 3.69 9.45 0.00 -1.26 -4.73 105.19 111.24 2dmf n GLY 7 Ca 0.09 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 2dmf n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dmf s GLU 8 N -2.00 2.08 0.22 1.61 2.02 -1.26 -5.04 118.70 116.32 2dmf s GLU 8 Ca 0.00 -2.16 0.02 0.00 0.02 0.00 0.00 54.97 52.85 2dmf s GLU 8 Cb 0.00 -1.67 0.19 0.00 0.10 0.00 0.00 34.13 32.75 2dmf s GLU 8 CO 0.00 -0.17 1.52 1.05 0.02 0.00 0.00 175.26 177.68 2dmf h GLU 9 N 1.56 0.32 -6.48 1.61 4.11 -2.03 -3.44 114.58 110.24 2dmf h GLU 9 Ca -0.44 -0.23 -0.53 0.00 0.07 0.00 0.00 59.36 58.24 2dmf h GLU 9 Cb 1.27 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 2dmf h GLU 9 CO 0.77 0.84 0.11 0.34 0.07 0.00 0.00 179.01 181.13 2dmf s ASP 10 N -6.91 7.21 -0.08 3.06 -1.08 -1.26 -5.07 116.67 112.53 2dmf s ASP 10 Ca -0.05 1.49 -0.03 0.00 -0.52 0.00 0.00 52.55 53.44 2dmf s ASP 10 Cb 0.12 -2.44 0.04 0.00 -1.46 0.00 0.00 42.92 39.18 2dmf s ASP 10 CO 0.81 0.16 0.16 0.86 0.52 0.00 0.00 175.17 177.69 2dmf s TRP 11 N -1.27 -0.20 -0.15 -5.34 -0.00 -1.26 -5.02 118.94 105.70 2dmf s TRP 11 Ca 0.37 0.59 0.19 0.00 -0.00 0.00 0.00 56.10 57.24 2dmf s TRP 11 Cb -0.20 -0.15 -0.11 0.00 -0.00 0.00 0.00 33.47 33.01 2dmf s TRP 11 CO 0.23 -0.23 0.86 1.33 -0.00 0.00 0.00 176.95 179.14 2dmf n VAL 12 N 4.77 1.00 -0.12 5.86 0.24 -1.26 -3.98 118.33 124.83 2dmf n VAL 12 Ca -0.16 -0.65 -0.05 0.00 -2.04 0.00 0.00 64.34 61.44 2dmf n VAL 12 Cb 0.51 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.29 2dmf n VAL 12 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2dmf h LEU 13 N 0.00 -0.59 -0.85 1.34 7.12 -1.95 0.14 115.31 120.52 2dmf h LEU 13 Ca -0.12 0.15 -0.12 0.00 0.13 0.00 0.00 57.88 57.92 2dmf h LEU 13 Cb 1.42 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.87 2dmf h LEU 13 CO 0.03 -0.21 -0.45 1.55 -0.13 0.00 0.00 178.44 179.23 2dmf h PRO 14 N -0.09 0.28 -0.65 5.25 0.13 -2.00 -2.80 132.00 132.12 2dmf h PRO 14 Ca 0.20 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 2dmf h PRO 14 Cb 0.40 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.51 2dmf h PRO 14 CO -0.47 0.68 0.14 0.77 -0.23 0.00 0.00 178.00 178.89 2dmf h SER 15 N 0.23 0.99 -0.42 1.44 0.02 -1.38 -2.80 113.55 111.64 2dmf h SER 15 Ca 0.02 -0.24 -0.14 0.00 -0.84 0.00 0.00 61.79 60.58 2dmf h SER 15 Cb 0.89 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2dmf h SER 15 CO 0.07 0.98 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.39 2dmf h GLU 16 N 0.96 0.95 -0.94 3.45 4.57 -0.95 -3.07 114.58 119.55 2dmf h GLU 16 Ca 0.20 -0.43 0.09 0.00 -1.18 0.00 0.00 59.36 58.03 2dmf h GLU 16 Cb 0.39 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2dmf h GLU 16 CO 0.01 1.10 0.58 0.28 -1.18 0.00 0.00 179.01 179.80 2dmf h VAL 17 N 0.80 0.99 -0.99 0.32 2.07 -1.31 0.15 116.25 118.29 2dmf h VAL 17 Ca 0.09 -0.34 0.14 0.00 0.82 0.00 0.00 66.70 67.41 2dmf h VAL 17 Cb 0.85 -0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 2dmf h VAL 17 CO 0.08 0.18 0.62 -0.33 0.02 0.00 0.00 177.57 178.14 2dmf h GLU 18 N 1.00 0.87 0.00 1.57 4.39 -1.39 0.41 114.58 121.44 2dmf h GLU 18 Ca 0.43 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.89 2dmf h GLU 18 Cb 0.31 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2dmf h GLU 18 CO -0.22 0.58 -1.14 -0.24 -1.16 0.00 0.00 179.01 176.83 2dmf h VAL 19 N 0.90 0.97 0.00 3.13 3.04 -1.31 -3.24 116.25 119.73 2dmf h VAL 19 Ca 0.50 -2.56 -0.12 0.00 -1.01 0.00 0.00 66.70 63.52 2dmf h VAL 19 Cb 0.61 2.42 -0.02 0.00 -2.01 0.00 0.00 31.29 32.29 2dmf h VAL 19 CO -0.27 0.55 -0.55 -0.07 -1.01 0.00 0.00 177.57 176.22 2dmf h LEU 20 N 0.00 0.00 -0.18 3.16 3.38 0.67 -3.07 115.31 119.27 2dmf h LEU 20 Ca -0.11 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.64 2dmf h LEU 20 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2dmf h LEU 20 CO 0.08 0.55 -0.94 -0.33 0.09 0.00 0.00 178.44 177.89 2dmf h GLU 21 N 0.00 0.38 0.00 1.13 4.39 -0.33 0.22 114.58 120.38 2dmf h GLU 21 Ca -0.01 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.20 2dmf h GLU 21 Cb 1.15 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2dmf h GLU 21 CO 0.07 1.09 -0.37 1.03 -1.16 0.00 0.00 179.01 179.67 2dmf h SER 22 N 0.22 0.00 0.16 1.42 0.87 -1.57 0.79 113.55 115.43 2dmf h SER 22 Ca -0.08 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.13 2dmf h SER 22 Cb 1.57 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.49 2dmf h SER 22 CO 0.16 0.37 -2.09 -0.38 -0.53 0.00 0.00 176.83 174.36 2dmf n ILE 23 N -4.08 1.64 -2.18 2.23 5.41 -1.17 -4.44 119.36 116.78 2dmf n ILE 23 Ca -0.02 -0.69 -0.26 0.00 1.00 0.00 0.00 62.75 62.79 2dmf n ILE 23 Cb 0.41 -1.39 0.01 0.00 -0.71 0.00 0.00 39.64 37.96 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 -3.27 3.04 -0.31 1.39 4.01 0.77 -4.86 117.16 117.94 2dmf n TYR 24 Ca -0.32 -2.61 0.09 0.00 -0.16 0.00 0.00 57.90 54.90 2dmf n TYR 24 Cb 1.05 -0.29 0.21 0.00 -0.31 0.00 0.00 39.34 40.00 2dmf n TYR 24 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2dmf h LEU 25 N 2.36 -0.46 0.00 7.72 -0.00 0.44 -2.16 115.31 123.20 2dmf h LEU 25 Ca 0.35 0.24 -0.20 0.00 -0.00 0.00 0.00 57.88 58.28 2dmf h LEU 25 Cb 1.23 0.43 -0.03 0.00 -0.00 0.00 0.00 40.66 42.29 2dmf h LEU 25 CO 0.84 -0.27 -1.68 0.47 -0.00 0.00 0.00 178.44 177.80 2dmf n ASP 26 N -5.43 1.65 -0.26 0.17 9.92 -1.26 -4.56 116.55 116.77 2dmf n ASP 26 Ca 0.18 0.08 0.31 0.00 -0.53 0.00 0.00 54.79 54.83 2dmf n ASP 26 Cb 0.60 -0.30 0.54 0.00 -0.64 0.00 0.00 41.12 41.31 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2dmf h GLU 27 N -0.29 0.00 -4.93 -1.24 5.08 -1.89 -3.38 114.58 107.93 2dmf h GLU 27 Ca -0.29 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.75 2dmf h GLU 27 Cb 1.32 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.39 2dmf h GLU 27 CO -0.14 0.00 -0.73 -1.17 -1.00 0.00 0.00 179.01 175.97 2dmf s LEU 28 N -6.84 2.40 -0.02 1.33 0.20 -0.82 -3.82 118.68 111.11 2dmf s LEU 28 Ca -0.03 -0.80 0.08 0.00 0.69 0.00 0.00 54.13 54.07 2dmf s LEU 28 Cb 0.16 -0.29 -0.02 0.00 -0.43 0.00 0.00 46.19 45.62 2dmf s LEU 28 CO 0.55 -0.26 -0.25 -1.10 -0.29 0.00 0.00 176.35 175.00 2dmf s GLN 29 N -2.73 2.02 -0.10 1.98 -0.21 -0.92 -4.67 119.66 115.03 2dmf s GLN 29 Ca 0.04 -0.88 0.03 0.00 0.02 0.00 0.00 55.36 54.57 2dmf s GLN 29 Cb -0.03 -1.94 0.01 0.00 1.00 0.00 0.00 33.01 32.04 2dmf s GLN 29 CO -0.00 0.53 -0.18 0.08 -2.12 0.00 0.00 175.29 173.59 2dmf s VAL 30 N -0.57 1.68 0.08 1.09 1.01 -1.26 -1.77 120.40 120.67 2dmf s VAL 30 Ca 0.09 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.37 2dmf s VAL 30 Cb -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2dmf s VAL 30 CO -0.01 0.48 -0.17 -0.63 0.00 0.00 0.00 175.10 174.77 2dmf s ILE 31 N 0.67 2.87 -0.11 2.22 -1.09 0.11 -5.02 121.20 120.85 2dmf s ILE 31 Ca -0.13 -1.34 0.02 0.00 -2.23 0.00 0.00 60.65 56.97 2dmf s ILE 31 Cb -0.16 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 2dmf s ILE 31 CO 0.03 0.21 -0.18 -0.54 -1.23 0.00 0.00 174.94 173.23 2dmf s LYS 32 N -1.84 3.15 0.19 2.79 1.02 -1.26 -2.76 119.74 121.03 2dmf s LYS 32 Ca 0.17 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2dmf s LYS 32 Cb -0.11 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 2dmf s LYS 32 CO 0.08 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 2dmf n GLY 33 N 3.41 -5.42 1.33 -3.33 0.00 -0.48 -5.01 105.19 95.69 2dmf n GLY 33 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 1.98 0.29 0.00 1.61 5.15 -1.21 -4.87 115.26 118.20 2dmf n ASN 34 Ca 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2dmf n ASN 34 Cb 0.00 -0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 2.87 0.59 0.11 8.20 0.00 -1.26 -4.95 105.19 110.75 2dmf n GLY 35 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2dmf n GLY 35 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dmf n ARG 36 N 0.00 0.68 0.00 1.61 0.00 -1.26 -4.13 116.66 113.56 2dmf n ARG 36 Ca 0.00 0.15 0.01 0.00 -0.00 0.00 0.00 57.85 58.00 2dmf n ARG 36 Cb 0.00 -1.60 0.04 0.00 -0.00 0.00 0.00 32.46 30.89 2dmf n ARG 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2dmf n THR 37 N -3.10 0.00 -4.10 8.89 -2.24 -1.26 -4.87 114.28 107.60 2dmf n THR 37 Ca -0.34 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.16 2dmf n THR 37 Cb 1.07 -0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.17 2dmf n THR 37 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dmf n SER 38 N -0.52 0.08 -4.68 3.42 2.88 -1.26 -4.65 113.62 108.89 2dmf n SER 38 Ca 0.01 -1.12 -0.29 0.00 -1.33 0.00 0.00 58.87 56.14 2dmf n SER 38 Cb 0.00 -2.45 0.17 0.00 -0.75 0.00 0.00 64.21 61.18 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dmf s PRO 39 N -6.89 0.53 -0.24 -1.46 0.04 -1.26 -4.12 135.00 121.60 2dmf s PRO 39 Ca 0.01 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 61.60 2dmf s PRO 39 Cb -0.01 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.81 2dmf s PRO 39 CO 0.93 -2.67 -0.05 -1.58 0.04 0.00 0.00 177.00 173.67 2dmf s TRP 40 N -2.95 3.04 -0.12 0.56 0.52 -0.12 -1.39 118.94 118.47 2dmf s TRP 40 Ca 0.65 -1.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.30 2dmf s TRP 40 Cb -0.19 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2dmf s TRP 40 CO 0.58 -0.69 0.12 -2.00 0.02 0.00 0.00 176.95 174.98 2dmf s GLU 41 N 1.37 3.45 -0.02 4.98 2.56 -1.11 -0.20 118.70 129.73 2dmf s GLU 41 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.97 54.81 2dmf s GLU 41 Cb -0.16 -3.17 0.01 0.00 2.00 0.00 0.00 34.13 32.82 2dmf s GLU 41 CO -0.04 0.73 0.04 0.42 -0.56 0.00 0.00 175.26 175.85 2dmf s ILE 42 N -0.90 -0.02 0.39 -3.70 1.01 0.95 0.08 121.20 119.02 2dmf s ILE 42 Ca 0.14 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.91 2dmf s ILE 42 Cb -0.12 -0.07 -0.07 0.00 0.01 0.00 0.00 42.46 42.21 2dmf s ILE 42 CO 0.03 0.03 0.03 -0.31 0.00 0.00 0.00 174.94 174.72 2dmf s TYR 43 N 0.35 2.28 -0.05 3.97 1.51 -0.73 0.10 117.35 124.79 2dmf s TYR 43 Ca -0.03 -0.80 -0.31 0.00 -1.01 0.00 0.00 57.07 54.93 2dmf s TYR 43 Cb -0.04 -1.59 0.11 0.00 -0.11 0.00 0.00 41.96 40.33 2dmf s TYR 43 CO -0.01 0.27 1.05 -1.50 -1.11 0.00 0.00 175.55 174.25 2dmf s ILE 44 N -2.92 0.00 0.02 2.71 2.07 -1.02 -2.16 121.20 119.89 2dmf s ILE 44 Ca 0.33 -0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.49 2dmf s ILE 44 Cb 0.09 -1.22 -0.04 0.00 0.13 0.00 0.00 42.46 41.42 2dmf s ILE 44 CO 0.16 0.00 0.00 -0.89 -1.91 0.00 0.00 174.94 172.30 2dmf s THR 45 N -2.82 4.12 -0.04 4.00 2.01 -1.25 -1.96 115.64 119.70 2dmf s THR 45 Ca 0.08 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.46 2dmf s THR 45 Cb -0.00 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 2dmf s THR 45 CO -0.06 0.32 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.20 2dmf s LEU 46 N -1.72 2.04 0.00 4.42 2.01 -1.25 -4.96 118.68 119.23 2dmf s LEU 46 Ca 0.21 -0.47 -0.02 0.00 0.01 0.00 0.00 54.13 53.86 2dmf s LEU 46 Cb -0.12 -1.29 -0.01 0.00 0.01 0.00 0.00 46.19 44.79 2dmf s LEU 46 CO 0.12 0.25 0.03 -1.00 1.01 0.00 0.00 176.35 176.76 2dmf s HIS 47 N -0.28 0.10 0.58 0.29 3.76 -1.26 -4.15 115.29 114.33 2dmf s HIS 47 Ca 0.01 -0.21 -0.18 0.00 -0.15 0.00 0.00 55.06 54.53 2dmf s HIS 47 Cb -0.12 -0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.44 2dmf s HIS 47 CO 0.02 -0.14 1.12 -1.25 -0.85 0.00 0.00 174.74 173.64 2dmf s PRO 48 N -0.88 3.17 -1.06 8.40 0.04 -1.26 -4.90 135.00 138.51 2dmf s PRO 48 Ca -0.10 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 2dmf s PRO 48 Cb -0.06 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2dmf s PRO 48 CO -0.00 -0.98 1.66 0.00 0.04 0.00 0.00 177.00 177.72 2dmf s ALA 49 N -1.97 2.50 0.10 8.56 0.00 -1.26 -4.92 121.76 124.78 2dmf s ALA 49 Ca 0.71 -2.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 2dmf s ALA 49 Cb -0.23 -4.57 -0.04 0.00 0.00 0.00 0.00 23.12 18.28 2dmf s ALA 49 CO 0.32 -3.98 0.03 0.95 0.00 0.00 0.00 175.76 173.08 2dmf s THR 50 N 6.54 0.14 1.43 0.00 -4.23 -1.26 -5.13 115.64 113.13 2dmf s THR 50 Ca 0.55 -1.87 -0.23 0.00 -1.18 0.00 0.00 61.69 58.97 2dmf s THR 50 Cb -0.01 -1.86 0.37 0.00 1.34 0.00 0.00 72.50 72.34 2dmf s THR 50 CO -0.02 -0.65 0.92 0.00 -0.54 0.00 0.00 174.62 174.33 2dmf s ALA 51 N -4.00 -0.80 -1.55 3.99 0.00 -1.26 -4.81 121.76 113.32 2dmf s ALA 51 Ca 0.18 -0.78 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 2dmf s ALA 51 Cb 0.08 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.21 2dmf s ALA 51 CO -0.02 -4.63 2.65 0.39 0.00 0.00 0.00 175.76 174.14 2dmf n GLU 52 N -5.66 3.40 0.00 0.00 4.71 -1.26 -3.99 120.64 117.84 2dmf n GLU 52 Ca 0.12 -2.42 0.00 0.00 -0.01 0.00 0.00 57.16 54.86 2dmf n GLU 52 Cb 0.60 -2.99 0.00 0.00 -1.01 0.00 0.00 31.44 28.04 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2dmf n ASP 53 N 4.50 2.27 -1.73 1.62 -0.08 -1.26 -4.78 116.55 117.09 2dmf n ASP 53 Ca 0.67 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.89 2dmf n ASP 53 Cb 0.29 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.70 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dmf n GLN 54 N -2.32 1.43 -0.10 -0.67 -0.00 -1.26 -4.64 117.38 109.81 2dmf n GLN 54 Ca 0.00 -0.53 -0.06 0.00 -0.00 0.00 0.00 57.00 56.41 2dmf n GLN 54 Cb 0.35 -1.40 -0.05 0.00 -0.00 0.00 0.00 30.24 29.14 2dmf n GLN 54 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 2dmf h ASP 55 N 1.74 -0.91 -1.01 2.61 3.04 -1.89 -3.42 116.42 116.58 2dmf h ASP 55 Ca 0.10 0.13 -0.54 0.00 -3.24 0.00 0.00 57.03 53.47 2dmf h ASP 55 Cb 1.14 0.38 0.10 0.00 -1.04 0.00 0.00 39.33 39.92 2dmf h ASP 55 CO 0.17 -0.16 -0.55 -1.20 -2.04 0.00 0.00 179.24 175.45 2dmf n SER 56 N -3.98 -1.47 -2.65 4.15 7.64 -1.26 -4.76 113.62 111.28 2dmf n SER 56 Ca -0.01 0.85 -0.27 0.00 1.01 0.00 0.00 58.87 60.45 2dmf n SER 56 Cb 0.15 -0.77 -0.07 0.00 -1.01 0.00 0.00 64.21 62.51 2dmf n SER 56 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2dmf n GLN 57 N 0.92 2.87 0.19 1.43 7.27 -1.26 -4.62 117.38 124.18 2dmf n GLN 57 Ca 0.13 -2.28 -0.14 0.00 0.07 0.00 0.00 57.00 54.79 2dmf n GLN 57 Cb 0.25 -2.26 -0.08 0.00 2.41 0.00 0.00 30.24 30.55 2dmf n GLN 57 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 2dmf h TYR 58 N 3.48 -0.44 -3.62 3.69 3.20 -1.87 -3.40 116.97 118.01 2dmf h TYR 58 Ca 0.45 -0.01 -0.70 0.00 3.14 0.00 0.00 58.73 61.61 2dmf h TYR 58 Cb 0.77 0.15 -0.28 0.00 1.54 0.00 0.00 36.73 38.91 2dmf h TYR 58 CO 1.60 -0.14 -0.57 0.54 -1.64 0.00 0.00 178.16 177.95 2dmf s VAL 59 N -5.01 3.97 -0.10 1.81 0.11 -1.26 -4.12 120.40 115.80 2dmf s VAL 59 Ca -0.15 -1.15 -0.30 0.00 -2.93 0.00 0.00 61.98 57.45 2dmf s VAL 59 Cb 0.03 -3.28 0.11 0.00 -1.53 0.00 0.00 36.38 31.70 2dmf s VAL 59 CO 0.56 -0.25 0.91 0.00 -3.33 0.00 0.00 175.10 172.99 2dmf s PHE 61 N -1.64 -0.22 -0.86 0.00 -0.71 -1.26 -2.91 117.98 110.38 2dmf s PHE 61 Ca -0.02 0.45 -0.25 0.00 -1.04 0.00 0.00 56.93 56.08 2dmf s PHE 61 Cb -0.01 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2dmf s PHE 61 CO 0.00 -0.42 1.89 0.99 -1.34 0.00 0.00 175.22 176.35 2dmf s THR 62 N 2.31 3.47 0.01 -4.49 2.01 -0.89 -3.83 115.64 114.22 2dmf s THR 62 Ca 0.04 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2dmf s THR 62 Cb -0.14 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.23 2dmf s THR 62 CO -0.09 -1.01 1.80 -0.22 -0.69 0.00 0.00 174.62 174.41 2dmf s LEU 63 N 9.54 4.38 0.05 4.42 1.98 -0.83 -1.51 118.68 136.71 2dmf s LEU 63 Ca 0.68 2.48 -0.09 0.00 -2.89 0.00 0.00 54.13 54.31 2dmf s LEU 63 Cb -0.07 -3.54 -0.05 0.00 0.66 0.00 0.00 46.19 43.19 2dmf s LEU 63 CO 0.02 -0.98 0.35 -0.69 -1.89 0.00 0.00 176.35 173.16 2dmf s VAL 64 N 4.05 5.18 -0.28 1.68 1.01 0.20 -2.45 120.40 129.79 2dmf s VAL 64 Ca 0.81 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 2dmf s VAL 64 Cb -0.39 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.47 2dmf s VAL 64 CO 0.36 0.32 0.08 -0.76 0.00 0.00 0.00 175.10 175.09 2dmf s LEU 65 N -1.84 1.89 -0.54 3.92 1.43 0.29 -3.03 118.68 120.80 2dmf s LEU 65 Ca 0.31 -1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 51.85 2dmf s LEU 65 Cb -0.14 -0.78 0.12 0.00 0.03 0.00 0.00 46.19 45.42 2dmf s LEU 65 CO 0.17 -0.38 0.52 -1.58 0.23 0.00 0.00 176.35 175.31 2dmf s GLN 66 N 1.69 3.00 -0.48 1.70 0.74 -1.09 -0.03 119.66 125.20 2dmf s GLN 66 Ca 0.06 -1.58 -0.22 0.00 0.05 0.00 0.00 55.36 53.66 2dmf s GLN 66 Cb -0.17 -4.27 0.03 0.00 1.10 0.00 0.00 33.01 29.70 2dmf s GLN 66 CO -0.21 -1.32 0.78 0.08 -0.55 0.00 0.00 175.29 174.07 2dmf s VAL 67 N 1.80 4.65 0.98 1.34 1.01 0.72 -1.35 120.40 129.55 2dmf s VAL 67 Ca 0.05 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 2dmf s VAL 67 Cb -0.28 -4.35 0.24 0.00 0.00 0.00 0.00 36.38 31.99 2dmf s VAL 67 CO 0.04 -0.80 0.87 -0.81 0.00 0.00 0.00 175.10 174.41 2dmf n PRO 68 N 6.74 -2.72 0.23 2.72 -0.04 -1.26 -0.95 135.00 139.71 2dmf n PRO 68 Ca 0.00 -1.40 0.12 0.00 -0.04 0.00 0.00 63.50 62.19 2dmf n PRO 68 Cb 0.48 -1.31 0.31 0.00 -0.04 0.00 0.00 33.50 32.94 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 -2.60 0.97 -0.01 0.55 0.00 -1.92 -3.23 119.26 113.04 2dmf h ALA 69 Ca -0.33 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 2dmf h ALA 69 Cb 1.00 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2dmf h ALA 69 CO 0.21 0.09 -0.93 0.93 0.00 0.00 0.00 179.25 179.56 2dmf h GLU 70 N 0.00 0.64 -4.07 0.00 3.07 -1.89 -3.46 114.58 108.86 2dmf h GLU 70 Ca -0.00 -0.68 -0.45 0.00 -0.50 0.00 0.00 59.36 57.73 2dmf h GLU 70 Cb 0.89 0.19 0.08 0.00 -0.84 0.00 0.00 28.75 29.07 2dmf h GLU 70 CO 0.01 1.27 -0.41 0.98 -1.40 0.00 0.00 179.01 179.46 2dmf n TYR 71 N -3.95 -0.53 0.20 4.33 4.19 -1.22 -1.81 117.16 118.37 2dmf n TYR 71 Ca -0.11 0.62 0.05 0.00 3.31 0.00 0.00 57.90 61.77 2dmf n TYR 71 Cb 0.83 -1.31 0.39 0.00 0.49 0.00 0.00 39.34 39.74 2dmf n TYR 71 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2dmf h PRO 72 N 0.60 0.00 -0.66 2.98 0.13 -1.90 -3.44 132.00 129.70 2dmf h PRO 72 Ca -0.20 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.19 2dmf h PRO 72 Cb 0.98 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.01 2dmf h PRO 72 CO 0.37 0.35 0.39 0.72 -0.23 0.00 0.00 178.00 179.61 2dmf n HIS 73 N -3.72 0.57 -4.62 1.56 8.25 -0.75 -3.70 115.22 112.81 2dmf n HIS 73 Ca -0.01 0.57 -0.33 0.00 -0.26 0.00 0.00 57.72 57.69 2dmf n HIS 73 Cb 0.45 -0.99 -0.15 0.00 1.12 0.00 0.00 29.99 30.42 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 -4.75 3.30 0.37 -0.41 2.56 -1.23 -4.78 118.70 113.76 2dmf s GLU 74 Ca -0.05 -0.71 -0.28 0.00 0.00 0.00 0.00 54.97 53.93 2dmf s GLU 74 Cb 0.19 -2.65 -0.10 0.00 2.00 0.00 0.00 34.13 33.57 2dmf s GLU 74 CO 0.46 0.10 1.35 0.14 -0.56 0.00 0.00 175.26 176.75 2dmf s VAL 75 N 0.63 2.52 0.05 3.70 -7.23 -1.24 -3.46 120.40 115.36 2dmf s VAL 75 Ca -0.08 0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 60.29 2dmf s VAL 75 Cb -0.16 -3.31 -0.07 0.00 0.56 0.00 0.00 36.38 33.41 2dmf s VAL 75 CO 0.03 0.10 1.41 -2.16 -0.31 0.00 0.00 175.10 174.17 2dmf s PRO 76 N -2.03 4.29 -0.42 4.82 0.04 -1.26 -4.80 135.00 135.64 2dmf s PRO 76 Ca 0.53 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.33 2dmf s PRO 76 Cb -0.41 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.61 2dmf s PRO 76 CO 0.54 -0.53 2.31 -0.65 0.04 0.00 0.00 177.00 178.71 2dmf s GLN 77 N 1.94 2.43 -0.19 4.56 -1.52 -0.46 -4.66 119.66 121.77 2dmf s GLN 77 Ca 0.65 1.53 -0.24 0.00 -1.95 0.00 0.00 55.36 55.34 2dmf s GLN 77 Cb -0.34 -4.51 -0.01 0.00 -0.22 0.00 0.00 33.01 27.93 2dmf s GLN 77 CO 0.28 -2.91 0.80 0.42 -0.25 0.00 0.00 175.29 173.63 2dmf s ILE 78 N 10.89 4.89 0.01 1.08 1.01 -1.26 -2.66 121.20 135.16 2dmf s ILE 78 Ca 0.96 1.55 0.00 0.00 0.00 0.00 0.00 60.65 63.17 2dmf s ILE 78 Cb -0.21 -4.10 -0.01 0.00 0.01 0.00 0.00 42.46 38.15 2dmf s ILE 78 CO 0.28 0.02 -0.02 -0.44 0.00 0.00 0.00 174.94 174.78 2dmf s SER 79 N 1.20 0.23 -0.10 3.58 0.01 -1.17 -4.99 113.70 112.46 2dmf s SER 79 Ca 0.36 -0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.20 2dmf s SER 79 Cb -0.16 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.06 2dmf s SER 79 CO 0.11 -0.08 0.74 -0.63 0.41 0.00 0.00 173.24 173.79 2dmf s ILE 80 N -0.50 5.00 -0.11 1.44 -1.09 -1.26 -0.63 121.20 124.04 2dmf s ILE 80 Ca -0.05 1.49 -0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2dmf s ILE 80 Cb -0.04 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.76 2dmf s ILE 80 CO -0.00 0.18 -0.11 -0.60 -1.23 0.00 0.00 174.94 173.18 2dmf s ARG 81 N 1.27 3.21 -1.21 2.79 6.06 -0.57 -4.66 118.95 125.83 2dmf s ARG 81 Ca 0.37 -0.64 -0.06 0.00 -2.50 0.00 0.00 55.73 52.91 2dmf s ARG 81 Cb -0.17 -2.64 -0.02 0.00 0.06 0.00 0.00 34.95 32.18 2dmf s ARG 81 CO 0.16 0.35 0.80 0.09 -2.50 0.00 0.00 175.30 174.20 2dmf n ASN 82 N 3.14 -3.26 -4.63 -2.12 3.02 -1.26 -2.10 115.26 108.05 2dmf n ASN 82 Ca -0.18 -0.82 -0.43 0.00 -0.03 0.00 0.00 54.58 53.13 2dmf n ASN 82 Cb 0.53 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.39 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dmf s PRO 83 N -5.57 3.81 0.00 3.52 0.04 -1.26 -4.48 135.00 131.06 2dmf s PRO 83 Ca 0.19 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.97 2dmf s PRO 83 Cb -0.05 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 2dmf s PRO 83 CO 0.80 -1.27 -0.22 0.50 0.04 0.00 0.00 177.00 176.85 2dmf s ARG 84 N 4.64 1.67 0.00 4.56 6.06 -1.15 -4.77 118.95 129.96 2dmf s ARG 84 Ca 0.71 -0.83 0.00 0.00 -2.50 0.00 0.00 55.73 53.11 2dmf s ARG 84 Cb -0.25 -1.67 0.00 0.00 0.06 0.00 0.00 34.95 33.09 2dmf s ARG 84 CO 0.29 0.45 0.00 0.41 -2.50 0.00 0.00 175.30 173.95 2dmf n GLY 85 N 2.33 1.56 3.75 8.12 0.00 -1.26 -3.54 105.19 116.15 2dmf n GLY 85 Ca -0.16 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 2.50 0.37 0.99 1.43 -1.26 -5.08 118.68 117.63 2dmf s LEU 86 Ca 0.00 1.51 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 2dmf s LEU 86 Cb 0.00 -4.04 -0.07 0.00 0.03 0.00 0.00 46.19 42.11 2dmf s LEU 86 CO 0.00 -2.35 0.03 -0.44 0.23 0.00 0.00 176.35 173.83 2dmf s SER 87 N -3.54 3.16 0.31 2.29 0.01 -1.26 -4.94 113.70 109.74 2dmf s SER 87 Ca 0.62 -1.38 0.08 0.00 1.31 0.00 0.00 55.95 56.59 2dmf s SER 87 Cb -0.17 -0.24 0.88 0.00 0.21 0.00 0.00 66.02 66.70 2dmf s SER 87 CO 0.56 -0.53 1.67 0.44 0.41 0.00 0.00 173.24 175.80 2dmf h ASP 88 N 1.93 0.36 0.09 2.44 5.19 -1.98 0.13 116.42 124.57 2dmf h ASP 88 Ca -0.42 0.18 -0.00 0.00 -0.62 0.00 0.00 57.03 56.16 2dmf h ASP 88 Cb 1.24 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.91 2dmf h ASP 88 CO 0.76 -0.08 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.67 2dmf h GLU 89 N 0.34 -0.12 -0.66 3.56 4.81 -1.99 -0.67 114.58 119.86 2dmf h GLU 89 Ca 0.63 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.97 2dmf h GLU 89 Cb 1.32 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.62 2dmf h GLU 89 CO -0.59 -0.08 -0.43 1.96 -0.73 0.00 0.00 179.01 179.14 2dmf h GLN 90 N -0.16 -0.17 0.11 1.92 1.08 -1.86 -1.38 115.11 114.65 2dmf h GLN 90 Ca -0.01 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2dmf h GLN 90 Cb 0.09 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.52 2dmf h GLN 90 CO 0.02 -0.12 -0.40 0.82 -0.95 0.00 0.00 178.83 178.21 2dmf h ILE 91 N -0.18 0.19 -0.91 2.54 2.04 -0.86 -2.25 117.51 118.08 2dmf h ILE 91 Ca 0.20 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.19 2dmf h ILE 91 Cb 0.56 0.19 -0.14 0.00 -0.74 0.00 0.00 36.82 36.69 2dmf h ILE 91 CO -0.74 0.00 -0.39 1.57 0.00 0.00 0.00 178.15 178.59 2dmf n HIS 92 N -5.45 -0.06 0.11 1.37 -0.00 -0.26 -0.27 115.22 110.66 2dmf n HIS 92 Ca -0.07 1.13 -0.12 0.00 0.46 0.00 0.00 57.72 59.11 2dmf n HIS 92 Cb 0.37 -0.79 -0.05 0.00 -0.12 0.00 0.00 29.99 29.40 2dmf n HIS 92 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dmf h THR 93 N 0.00 0.49 -0.87 3.57 2.02 -1.01 -2.40 112.91 114.70 2dmf h THR 93 Ca 0.28 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.70 2dmf h THR 93 Cb 0.51 0.49 -0.16 0.00 -1.74 0.00 0.00 68.15 67.25 2dmf h THR 93 CO -0.90 0.00 0.01 -0.38 0.37 0.00 0.00 175.52 174.63 2dmf n ILE 94 N -5.35 -0.37 0.22 3.11 5.41 0.63 -1.01 119.36 122.00 2dmf n ILE 94 Ca -0.06 1.92 -0.09 0.00 1.00 0.00 0.00 62.75 65.52 2dmf n ILE 94 Cb 0.26 -2.80 -0.04 0.00 -0.71 0.00 0.00 39.64 36.36 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 -0.48 -0.90 1.39 3.38 -1.07 -1.26 115.31 116.37 2dmf h LEU 95 Ca 0.53 0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.86 2dmf h LEU 95 Cb 1.08 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 2dmf h LEU 95 CO -0.82 -0.29 0.53 0.00 0.09 0.00 0.00 178.44 177.95 2dmf n GLN 96 N -3.82 -0.04 0.02 1.13 6.02 -0.18 -0.47 117.38 120.04 2dmf n GLN 96 Ca -0.07 1.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.95 2dmf n GLN 96 Cb 0.22 -1.93 -0.00 0.00 1.02 0.00 0.00 30.24 29.54 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 -1.00 5.09 2.07 -1.19 -2.77 116.25 118.45 2dmf h VAL 97 Ca 0.67 -0.14 0.36 0.00 0.82 0.00 0.00 66.70 68.41 2dmf h VAL 97 Cb 1.94 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 31.53 2dmf h VAL 97 CO -0.51 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.32 2dmf h LEU 98 N -0.19 -0.04 -0.17 2.57 3.38 0.14 0.50 115.31 121.50 2dmf h LEU 98 Ca -0.01 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2dmf h LEU 98 Cb 0.04 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2dmf h LEU 98 CO 0.01 -0.41 0.04 1.23 0.09 0.00 0.00 178.44 179.41 2dmf h GLY 99 N 0.00 0.29 0.11 0.83 0.00 -0.89 -3.00 103.07 100.41 2dmf h GLY 99 Ca 0.74 -0.18 0.14 0.00 0.00 0.00 0.00 47.33 48.03 2dmf h GLY 99 CO -0.84 0.17 0.21 0.84 0.00 0.00 0.00 176.54 176.91 2dmf h HIS 100 N 0.09 0.34 -0.68 5.60 -0.00 0.29 -0.40 115.15 120.39 2dmf h HIS 100 Ca 0.05 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.53 2dmf h HIS 100 Cb 0.25 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 27.56 2dmf h HIS 100 CO 0.01 -0.01 0.37 0.28 -0.00 0.00 0.00 177.93 178.58 2dmf h VAL 101 N 0.34 0.94 0.88 5.26 2.07 -1.30 -0.17 116.25 124.27 2dmf h VAL 101 Ca 0.38 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 2dmf h VAL 101 Cb 0.59 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2dmf h VAL 101 CO -0.43 0.12 -0.42 0.00 0.02 0.00 0.00 177.57 176.86 2dmf h ALA 102 N 1.37 -1.30 -0.99 1.67 0.00 -0.97 -1.35 119.26 117.69 2dmf h ALA 102 Ca 0.31 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.15 2dmf h ALA 102 Cb 0.23 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 2dmf h ALA 102 CO -0.20 -1.21 0.60 0.87 0.00 0.00 0.00 179.25 179.31 2dmf h LYS 103 N -1.21 0.74 0.00 0.00 1.57 -1.22 0.69 116.57 117.14 2dmf h LYS 103 Ca -0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2dmf h LYS 103 Cb 0.91 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2dmf h LYS 103 CO 0.20 0.49 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 2dmf h ALA 104 N 1.64 1.00 -0.91 3.86 0.00 -0.85 -3.02 119.26 120.98 2dmf h ALA 104 Ca 0.57 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.91 2dmf h ALA 104 Cb 0.88 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.26 2dmf h ALA 104 CO -0.38 0.00 -0.63 0.41 0.00 0.00 0.00 179.25 178.64 2dmf n GLY 105 N -0.10 6.28 3.79 0.00 0.00 0.24 -5.06 105.19 110.34 2dmf n GLY 105 Ca 0.01 -2.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.03 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 -3.62 3.85 0.00 0.99 1.43 -0.99 -3.08 118.68 117.26 2dmf s LEU 106 Ca 0.52 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2dmf s LEU 106 Cb 0.42 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 42.11 2dmf s LEU 106 CO -0.01 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.28 2dmf n GLY 107 N -0.05 0.70 2.27 -3.19 0.00 -1.25 -4.95 105.19 98.72 2dmf n GLY 107 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.05 0.00 -2.63 2.61 -2.24 -1.18 -4.92 114.28 103.88 2dmf n THR 108 Ca 0.00 -1.68 -0.43 0.00 -2.27 0.00 0.00 64.05 59.67 2dmf n THR 108 Cb 0.01 0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.88 3.60 0.00 6.98 0.00 -1.26 -4.75 121.76 123.45 2dmf s ALA 109 Ca 0.23 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.48 2dmf s ALA 109 Cb 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.61 2dmf s ALA 109 CO 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 175.76 175.00 2dmf n MET 110 N 5.92 3.85 -0.06 0.00 3.85 -1.26 -4.75 117.12 124.66 2dmf n MET 110 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 57.70 56.80 2dmf n MET 110 Cb 0.47 -0.98 -0.01 0.00 -1.05 0.00 0.00 33.22 31.64 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 -1.95 -0.15 -0.21 3.17 4.77 -1.26 0.45 117.00 121.81 2dmf n LEU 111 Ca 0.00 0.82 -0.01 0.00 -0.03 0.00 0.00 56.01 56.79 2dmf n LEU 111 Cb 0.48 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 2dmf n LEU 111 CO 0.00 -0.49 0.74 0.22 -1.33 0.00 0.00 177.39 176.53 2dmf h TYR 112 N 0.00 -0.34 0.24 -1.77 3.20 -1.96 -1.83 116.97 114.51 2dmf h TYR 112 Ca 0.02 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2dmf h TYR 112 Cb 0.06 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 2dmf h TYR 112 CO -0.67 -0.27 -0.17 0.93 -1.64 0.00 0.00 178.16 176.33 2dmf h GLU 113 N -0.00 -0.38 -0.81 1.82 5.08 -0.30 -1.92 114.58 118.06 2dmf h GLU 113 Ca 0.30 0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.88 2dmf h GLU 113 Cb 0.46 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.64 2dmf h GLU 113 CO -0.65 -0.25 -0.12 1.28 -1.00 0.00 0.00 179.01 178.27 2dmf n LEU 114 N -3.31 -0.22 0.06 1.33 4.77 0.15 0.97 117.00 120.75 2dmf n LEU 114 Ca -0.05 1.39 -0.12 0.00 -0.03 0.00 0.00 56.01 57.21 2dmf n LEU 114 Cb 0.17 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 2dmf n LEU 114 CO 0.11 -1.37 0.82 0.40 -1.33 0.00 0.00 177.39 176.02 2dmf h ILE 115 N 0.00 0.81 -0.01 -0.08 2.04 -1.12 -2.96 117.51 116.19 2dmf h ILE 115 Ca 0.43 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.31 2dmf h ILE 115 Cb 0.76 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2dmf h ILE 115 CO -0.81 0.00 -0.51 -0.33 0.00 0.00 0.00 178.15 176.50 2dmf h GLU 116 N -0.14 -0.61 -0.95 2.37 4.39 0.14 -2.48 114.58 117.30 2dmf h GLU 116 Ca 0.02 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.87 2dmf h GLU 116 Cb 0.17 0.14 -0.13 0.00 -0.10 0.00 0.00 28.75 28.83 2dmf h GLU 116 CO -0.06 -0.41 -0.50 1.17 -1.16 0.00 0.00 179.01 178.05 2dmf n LYS 117 N -5.29 -0.36 -0.44 2.33 3.00 -0.75 0.12 118.16 116.77 2dmf n LYS 117 Ca -0.07 1.44 0.36 0.00 -0.00 0.00 0.00 58.31 60.04 2dmf n LYS 117 Cb 0.37 -2.13 0.64 0.00 0.00 0.00 0.00 35.03 33.92 2dmf n LYS 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2dmf h GLY 118 N 0.00 1.34 0.78 3.14 0.00 -1.28 0.33 103.07 107.38 2dmf h GLY 118 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2dmf h GLY 118 CO -0.91 -0.41 -0.06 0.50 0.00 0.00 0.00 176.54 175.67 2dmf h LYS 119 N 0.09 -0.16 -0.60 4.80 1.57 0.97 -2.47 116.57 120.78 2dmf h LYS 119 Ca 0.81 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.59 2dmf h LYS 119 Cb 2.52 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.84 2dmf h LYS 119 CO -0.43 0.08 0.31 1.05 -0.57 0.00 0.00 179.45 179.90 2dmf h GLU 120 N -0.39 0.83 0.70 3.15 4.11 -0.27 -3.10 114.58 119.61 2dmf h GLU 120 Ca -0.02 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.29 2dmf h GLU 120 Cb 0.32 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dmf h GLU 120 CO 0.03 0.62 -0.42 0.82 0.07 0.00 0.00 179.01 180.13 2dmf h ILE 121 N 0.83 0.00 -0.84 -1.06 2.04 -0.98 -2.97 117.51 114.53 2dmf h ILE 121 Ca 0.21 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.23 2dmf h ILE 121 Cb 0.05 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.97 2dmf h ILE 121 CO -0.03 0.00 -0.25 -0.11 0.00 0.00 0.00 178.15 177.75 2dmf n LEU 122 N -5.10 -0.39 -0.29 1.44 -0.00 -0.94 0.73 117.00 112.45 2dmf n LEU 122 Ca -0.13 1.46 0.15 0.00 -0.00 0.00 0.00 56.01 57.49 2dmf n LEU 122 Cb 0.44 -0.40 0.29 0.00 -0.00 0.00 0.00 43.42 43.75 2dmf n LEU 122 CO 0.30 -1.37 0.71 0.41 -0.00 0.00 0.00 177.39 177.44 2dmf n THR 123 N -5.33 -0.35 0.19 1.96 -1.04 -1.12 0.06 114.28 108.64 2dmf n THR 123 Ca 0.12 1.81 -0.13 0.00 -2.04 0.00 0.00 64.05 63.81 2dmf n THR 123 Cb 0.39 -2.70 -0.07 0.00 -1.82 0.00 0.00 70.33 66.13 2dmf n THR 123 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2dmf h ASP 124 N 0.00 -0.43 -2.77 8.00 3.58 0.20 -3.35 116.42 121.66 2dmf h ASP 124 Ca 0.55 -0.14 -0.79 0.00 0.42 0.00 0.00 57.03 57.07 2dmf h ASP 124 Cb 1.21 0.11 -0.25 0.00 1.72 0.00 0.00 39.33 42.12 2dmf h ASP 124 CO -0.76 -0.04 0.96 -0.46 -2.88 0.00 0.00 179.24 176.06 2dmf n ASN 125 N -5.16 5.85 0.00 2.28 0.23 0.11 -4.65 115.26 113.92 2dmf n ASN 125 Ca -0.10 -3.22 0.00 0.00 -0.53 0.00 0.00 54.58 50.73 2dmf n ASN 125 Cb 0.28 -1.36 0.00 0.00 -2.08 0.00 0.00 39.78 36.62 2dmf n ASN 125 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2dmf n ASN 126 N 2.53 0.00 -4.68 0.53 2.85 -0.91 -4.76 115.26 110.82 2dmf n ASN 126 Ca 0.29 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.33 2dmf n ASN 126 Cb 0.36 -0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.35 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2dmf n ILE 127 N -2.50 0.45 -1.11 -1.44 2.08 -1.26 -4.93 119.36 110.65 2dmf n ILE 127 Ca 0.00 -0.08 -0.29 0.00 0.56 0.00 0.00 62.75 62.93 2dmf n ILE 127 Cb 0.00 -2.11 0.21 0.00 -0.75 0.00 0.00 39.64 36.99 2dmf n ILE 127 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2dmf s PRO 128 N 3.13 -0.56 -0.20 0.38 0.04 -1.26 -5.04 135.00 131.49 2dmf s PRO 128 Ca 0.84 0.18 -0.15 0.00 0.04 0.00 0.00 61.00 61.92 2dmf s PRO 128 Cb -0.50 -1.65 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2dmf s PRO 128 CO 0.40 -3.32 -0.32 0.72 0.04 0.00 0.00 177.00 174.52 2dmf n HIS 129 N -4.53 0.00 0.00 0.56 8.25 -1.26 -5.12 115.22 113.13 2dmf n HIS 129 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2dmf n HIS 129 Cb 0.59 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 31.04 2dmf n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dmf n GLY 130 N 1.55 3.14 3.37 -1.41 0.00 -1.26 -5.16 105.19 105.42 2dmf n GLY 130 Ca -0.29 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 2dmf n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dmf s GLN 131 N -2.38 1.88 0.28 1.61 0.00 -1.26 -5.09 119.66 114.69 2dmf s GLN 131 Ca 0.00 -1.07 -0.28 0.00 -0.00 0.00 0.00 55.36 54.01 2dmf s GLN 131 Cb 0.00 -2.03 -0.15 0.00 0.00 0.00 0.00 33.01 30.83 2dmf s GLN 131 CO 0.00 0.52 0.87 0.43 0.00 0.00 0.00 175.29 177.12 2dmf n SER 132 N 1.76 0.61 -3.33 12.60 7.64 -1.26 -4.98 113.62 126.66 2dmf n SER 132 Ca -0.17 1.15 0.03 0.00 1.01 0.00 0.00 58.87 60.89 2dmf n SER 132 Cb 0.52 -1.20 -0.04 0.00 -1.01 0.00 0.00 64.21 62.47 2dmf n SER 132 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmf s GLY 133 N -0.68 0.19 -0.07 0.23 0.00 -1.26 -5.14 107.32 100.59 2dmf s GLY 133 Ca 0.60 3.49 -0.30 0.00 0.00 0.00 0.00 44.72 48.52 2dmf s GLY 133 CO 0.59 3.22 1.50 2.56 0.00 0.00 0.00 173.10 180.97 2dmf s PRO 134 N 1.98 4.22 -0.18 2.90 0.04 -1.26 -4.93 135.00 137.77 2dmf s PRO 134 Ca -0.02 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.81 2dmf s PRO 134 Cb -0.03 -3.83 -0.20 0.00 0.04 0.00 0.00 34.50 30.49 2dmf s PRO 134 CO -0.16 -0.75 0.36 1.03 0.04 0.00 0.00 177.00 177.52 2dmf h SER 135 N 8.81 0.00 -3.09 6.66 0.87 -2.02 -3.48 113.55 121.29 2dmf h SER 135 Ca -0.36 -0.62 0.03 0.00 -1.23 0.00 0.00 61.79 59.61 2dmf h SER 135 Cb 1.16 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.90 2dmf h SER 135 CO 0.95 1.24 0.12 -0.44 -0.53 0.00 0.00 176.83 178.16 2dmf s SER 136 N -6.51 -0.82 0.00 6.23 0.01 -1.26 -5.38 113.70 105.96 2dmf s SER 136 Ca -0.23 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.39 2dmf s SER 136 Cb 0.02 1.35 0.00 0.00 0.21 0.00 0.00 66.02 67.60 2dmf s SER 136 CO 0.57 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.61