#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf h SER 2 N 0.00 -0.40 -0.88 1.61 0.02 -2.09 -3.37 113.55 108.44 2dmf h SER 2 Ca 0.00 -0.11 -0.41 0.00 -0.84 0.00 0.00 61.79 60.43 2dmf h SER 2 Cb 0.00 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 2dmf h SER 2 CO 0.00 -0.12 1.03 -0.55 -1.14 0.00 0.00 176.83 176.05 2dmf s SER 3 N -4.94 5.66 -0.20 3.07 0.15 -1.26 -4.94 113.70 111.24 2dmf s SER 3 Ca -0.15 -0.96 -0.04 0.00 0.70 0.00 0.00 55.95 55.49 2dmf s SER 3 Cb 0.03 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2dmf s SER 3 CO 0.58 -2.27 -0.02 -0.83 1.20 0.00 0.00 173.24 171.89 2dmf s GLY 4 N 6.87 1.66 -0.06 9.45 0.00 -1.26 -4.99 107.32 118.99 2dmf s GLY 4 Ca 0.61 -1.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.06 2dmf s GLY 4 CO -0.04 0.29 0.86 1.76 0.00 0.00 0.00 173.10 175.96 2dmf h SER 5 N 7.70 0.44 -2.77 1.64 0.02 -1.96 -3.46 113.55 115.16 2dmf h SER 5 Ca -0.37 -0.94 -0.58 0.00 -0.84 0.00 0.00 61.79 59.05 2dmf h SER 5 Cb 1.17 -0.14 0.09 0.00 0.14 0.00 0.00 62.40 63.66 2dmf h SER 5 CO 0.60 1.40 0.58 -1.54 -1.14 0.00 0.00 176.83 176.74 2dmf n SER 6 N -4.12 2.72 -0.04 3.07 3.41 -1.26 -4.92 113.62 112.47 2dmf n SER 6 Ca -0.15 1.15 -0.09 0.00 -0.26 0.00 0.00 58.87 59.53 2dmf n SER 6 Cb 0.82 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 2dmf n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmf n GLY 7 N 1.90 -0.15 3.74 5.00 0.00 -1.26 -5.09 105.19 109.33 2dmf n GLY 7 Ca 0.10 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.17 2.14 -1.15 1.61 2.02 -1.26 -5.07 118.70 114.82 2dmf s GLU 8 Ca -0.12 -2.26 -0.10 0.00 0.02 0.00 0.00 54.97 52.51 2dmf s GLU 8 Cb 0.04 -1.64 0.24 0.00 0.10 0.00 0.00 34.13 32.88 2dmf s GLU 8 CO 0.15 -0.29 1.30 0.39 0.02 0.00 0.00 175.26 176.83 2dmf n GLU 9 N -1.23 3.59 -3.85 1.61 4.71 -1.26 -4.93 120.64 119.28 2dmf n GLU 9 Ca -0.13 -4.23 -0.30 0.00 -0.01 0.00 0.00 57.16 52.49 2dmf n GLU 9 Cb 0.67 -2.72 -0.14 0.00 -1.01 0.00 0.00 31.44 28.23 2dmf n GLU 9 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2dmf s ASP 10 N 1.45 4.17 -0.30 1.62 2.15 -1.26 -5.05 116.67 119.45 2dmf s ASP 10 Ca 0.35 -2.40 -0.16 0.00 0.43 0.00 0.00 52.55 50.77 2dmf s ASP 10 Cb -0.05 -1.30 0.17 0.00 -0.30 0.00 0.00 42.92 41.44 2dmf s ASP 10 CO -0.03 -0.32 1.07 0.86 -0.17 0.00 0.00 175.17 176.58 2dmf s TRP 11 N 0.59 -0.48 -0.58 -5.34 -0.00 -1.26 -5.03 118.94 106.85 2dmf s TRP 11 Ca 0.14 0.86 0.24 0.00 -0.00 0.00 0.00 56.10 57.34 2dmf s TRP 11 Cb -0.22 0.29 0.36 0.00 -0.00 0.00 0.00 33.47 33.89 2dmf s TRP 11 CO -0.07 -0.24 1.36 -0.39 -0.00 0.00 0.00 176.95 177.62 2dmf h VAL 12 N 5.25 0.00 -0.01 5.86 -1.51 -1.97 -3.33 116.25 120.55 2dmf h VAL 12 Ca -0.19 -0.60 0.01 0.00 -1.23 0.00 0.00 66.70 64.69 2dmf h VAL 12 Cb 1.14 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2dmf h VAL 12 CO 0.12 0.00 -0.02 0.25 -1.23 0.00 0.00 177.57 176.69 2dmf h LEU 13 N 0.00 -0.07 -0.64 4.19 7.12 -1.95 -1.62 115.31 122.34 2dmf h LEU 13 Ca 0.00 0.01 -0.14 0.00 0.13 0.00 0.00 57.88 57.88 2dmf h LEU 13 Cb 0.80 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 2dmf h LEU 13 CO 0.00 -0.04 -0.43 1.55 -0.13 0.00 0.00 178.44 179.39 2dmf h PRO 14 N -0.04 0.57 0.00 5.25 0.13 -2.01 -2.84 132.00 133.06 2dmf h PRO 14 Ca 0.01 -0.30 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2dmf h PRO 14 Cb 0.06 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 2dmf h PRO 14 CO -0.03 0.89 -0.12 1.03 -0.23 0.00 0.00 178.00 179.54 2dmf h SER 15 N 0.46 0.00 1.26 1.44 0.87 -1.62 -1.95 113.55 114.00 2dmf h SER 15 Ca 0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2dmf h SER 15 Cb 0.94 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2dmf h SER 15 CO 0.08 0.12 -0.76 -0.33 -0.53 0.00 0.00 176.83 175.42 2dmf h GLU 16 N 0.00 0.00 0.12 2.24 4.39 -1.08 -3.32 114.58 116.93 2dmf h GLU 16 Ca -0.00 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2dmf h GLU 16 Cb 0.41 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2dmf h GLU 16 CO 0.02 0.08 -1.25 0.28 -1.16 0.00 0.00 179.01 176.98 2dmf h VAL 17 N 0.00 1.31 -0.62 3.13 2.07 -1.14 -2.12 116.25 118.88 2dmf h VAL 17 Ca -0.02 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 64.98 2dmf h VAL 17 Cb 1.10 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.56 2dmf h VAL 17 CO 0.01 0.76 0.40 1.05 0.02 0.00 0.00 177.57 179.82 2dmf h GLU 18 N 0.25 0.81 -0.10 1.57 4.11 -1.59 0.17 114.58 119.81 2dmf h GLU 18 Ca -0.18 -0.05 -0.13 0.00 0.07 0.00 0.00 59.36 59.06 2dmf h GLU 18 Cb 1.92 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.99 2dmf h GLU 18 CO 0.23 0.55 -0.46 -0.24 0.07 0.00 0.00 179.01 179.16 2dmf h VAL 19 N 0.83 1.37 0.41 -1.06 3.04 -1.66 -3.20 116.25 115.98 2dmf h VAL 19 Ca 0.22 -1.79 -0.02 0.00 -1.01 0.00 0.00 66.70 64.10 2dmf h VAL 19 Cb -0.09 2.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2dmf h VAL 19 CO -0.05 0.54 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.78 2dmf h LEU 20 N 0.08 -0.46 -1.74 3.16 3.38 -1.21 -1.99 115.31 116.54 2dmf h LEU 20 Ca -0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2dmf h LEU 20 Cb 1.10 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2dmf h LEU 20 CO 0.10 -0.31 0.66 -0.33 0.09 0.00 0.00 178.44 178.65 2dmf h GLU 21 N -0.57 0.00 0.00 1.13 5.08 -0.76 1.11 114.58 120.58 2dmf h GLU 21 Ca -0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 2dmf h GLU 21 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2dmf h GLU 21 CO 0.09 0.00 -0.85 1.03 -1.00 0.00 0.00 179.01 178.28 2dmf h SER 22 N 0.00 0.00 0.00 1.42 0.87 -1.36 -2.21 113.55 112.27 2dmf h SER 22 Ca 0.29 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.74 2dmf h SER 22 Cb 1.61 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.56 2dmf h SER 22 CO -0.00 0.85 -1.06 -0.38 -0.53 0.00 0.00 176.83 175.70 2dmf n ILE 23 N -3.38 1.48 -0.89 2.23 5.41 0.33 -4.44 119.36 120.11 2dmf n ILE 23 Ca 0.00 0.07 -0.22 0.00 1.00 0.00 0.00 62.75 63.60 2dmf n ILE 23 Cb 0.86 -2.24 0.10 0.00 -0.71 0.00 0.00 39.64 37.64 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 -4.49 2.35 -0.24 1.39 4.01 0.18 -4.71 117.16 115.64 2dmf n TYR 24 Ca -0.20 -2.01 0.03 0.00 -0.16 0.00 0.00 57.90 55.56 2dmf n TYR 24 Cb 0.50 -0.99 0.08 0.00 -0.31 0.00 0.00 39.34 38.62 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 -0.52 -0.27 -0.12 7.72 -0.00 -0.83 -0.29 117.00 122.69 2dmf n LEU 25 Ca 0.46 1.15 -0.23 0.00 -0.00 0.00 0.00 56.01 57.39 2dmf n LEU 25 Cb 1.00 -0.33 -0.08 0.00 -0.00 0.00 0.00 43.42 44.01 2dmf n LEU 25 CO 0.52 -1.09 -1.22 -0.67 -0.00 0.00 0.00 177.39 174.93 2dmf n ASP 26 N -5.07 1.84 -0.51 1.45 2.03 -1.26 -4.41 116.55 110.62 2dmf n ASP 26 Ca 0.10 0.32 0.43 0.00 0.52 0.00 0.00 54.79 56.15 2dmf n ASP 26 Cb 0.32 -0.75 0.65 0.00 -0.72 0.00 0.00 41.12 40.62 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dmf n GLU 27 N -4.22 0.01 -3.97 -0.67 1.02 -1.06 -4.21 120.64 107.54 2dmf n GLU 27 Ca -0.42 1.03 -0.12 0.00 -0.02 0.00 0.00 57.16 57.63 2dmf n GLU 27 Cb 0.78 -2.46 -0.13 0.00 -0.02 0.00 0.00 31.44 29.60 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dmf s LEU 28 N -7.21 2.08 0.15 -4.62 0.20 0.60 -1.19 118.68 108.69 2dmf s LEU 28 Ca -0.04 -0.19 0.07 0.00 0.69 0.00 0.00 54.13 54.66 2dmf s LEU 28 Cb 0.21 -0.05 -0.04 0.00 -0.43 0.00 0.00 46.19 45.88 2dmf s LEU 28 CO 0.71 -0.08 -0.01 -1.58 -0.29 0.00 0.00 176.35 175.10 2dmf s GLN 29 N -0.51 2.41 -0.05 1.98 2.00 -0.21 -4.49 119.66 120.79 2dmf s GLN 29 Ca -0.04 -1.03 0.03 0.00 -2.00 0.00 0.00 55.36 52.32 2dmf s GLN 29 Cb -0.04 -2.40 0.00 0.00 0.80 0.00 0.00 33.01 31.38 2dmf s GLN 29 CO -0.00 0.48 -0.14 0.08 -0.50 0.00 0.00 175.29 175.21 2dmf s VAL 30 N -1.56 1.22 -0.37 1.34 1.01 -1.26 -1.60 120.40 119.18 2dmf s VAL 30 Ca 0.26 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2dmf s VAL 30 Cb -0.10 -1.07 0.11 0.00 0.00 0.00 0.00 36.38 35.32 2dmf s VAL 30 CO 0.18 0.36 0.15 -0.63 0.00 0.00 0.00 175.10 175.16 2dmf s ILE 31 N 0.25 1.35 0.43 2.22 -1.09 0.13 -5.00 121.20 119.49 2dmf s ILE 31 Ca -0.07 -2.06 -0.25 0.00 -2.23 0.00 0.00 60.65 56.04 2dmf s ILE 31 Cb -0.12 -1.99 -0.08 0.00 -1.58 0.00 0.00 42.46 38.69 2dmf s ILE 31 CO 0.02 -0.75 1.32 -0.54 -1.23 0.00 0.00 174.94 173.76 2dmf s LYS 32 N 0.95 3.82 0.19 2.79 1.02 -1.26 -2.36 119.74 124.89 2dmf s LYS 32 Ca 0.13 2.19 -0.14 0.00 0.02 0.00 0.00 55.97 58.17 2dmf s LYS 32 Cb -0.21 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 2dmf s LYS 32 CO -0.12 -0.63 0.44 0.20 -0.92 0.00 0.00 175.35 174.33 2dmf s GLY 33 N -0.75 0.13 -0.02 -3.33 0.00 -1.26 -4.94 107.32 97.15 2dmf s GLY 33 Ca 0.59 -0.48 -0.09 0.00 0.00 0.00 0.00 44.72 44.75 2dmf s GLY 33 CO 0.49 -0.47 0.20 0.54 0.00 0.00 0.00 173.10 173.86 2dmf s ASN 34 N -2.91 -0.08 0.00 1.64 4.22 -1.26 -4.63 114.94 111.92 2dmf s ASN 34 Ca 0.12 0.00 0.00 0.00 -2.14 0.00 0.00 52.86 50.85 2dmf s ASN 34 Cb 0.00 0.28 0.00 0.00 1.28 0.00 0.00 41.25 42.82 2dmf s ASN 34 CO -0.01 -0.33 0.00 0.61 -2.04 0.00 0.00 177.10 175.33 2dmf n GLY 35 N 1.73 -0.49 0.00 0.45 0.00 -1.26 -4.79 105.19 100.83 2dmf n GLY 35 Ca -0.20 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2dmf n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmf n ARG 36 N 0.00 0.00 -0.45 1.61 3.00 -1.26 -1.80 116.66 117.76 2dmf n ARG 36 Ca 0.00 0.70 0.08 0.00 -0.01 0.00 0.00 57.85 58.62 2dmf n ARG 36 Cb 0.00 -1.10 0.28 0.00 0.00 0.00 0.00 32.46 31.65 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 -2.33 1.66 -4.10 0.55 -2.24 -1.26 -4.97 114.28 101.58 2dmf n THR 37 Ca 0.00 -1.27 -0.29 0.00 -2.27 0.00 0.00 64.05 60.22 2dmf n THR 37 Cb 0.00 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.67 0.41 -4.72 3.42 7.64 -0.75 -1.40 113.62 118.90 2dmf n SER 38 Ca 0.21 -1.13 -0.42 0.00 1.01 0.00 0.00 58.87 58.54 2dmf n SER 38 Cb 0.75 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.52 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 -6.91 4.34 -0.11 1.43 0.04 -1.26 -4.46 135.00 128.07 2dmf s PRO 39 Ca 0.04 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 2dmf s PRO 39 Cb -0.02 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2dmf s PRO 39 CO 0.88 -0.40 0.25 -1.58 0.04 0.00 0.00 177.00 176.19 2dmf s TRP 40 N 1.01 3.58 -0.19 0.56 0.52 0.71 -4.44 118.94 120.68 2dmf s TRP 40 Ca 0.63 0.64 -0.07 0.00 0.02 0.00 0.00 56.10 57.32 2dmf s TRP 40 Cb -0.36 -2.15 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 2dmf s TRP 40 CO 0.31 0.54 0.06 -2.00 0.02 0.00 0.00 176.95 175.88 2dmf s GLU 41 N -0.52 3.89 -0.01 4.98 2.56 -1.00 -1.39 118.70 127.22 2dmf s GLU 41 Ca 0.17 -0.38 0.01 0.00 0.00 0.00 0.00 54.97 54.76 2dmf s GLU 41 Cb -0.13 -3.21 0.01 0.00 2.00 0.00 0.00 34.13 32.79 2dmf s GLU 41 CO 0.06 0.19 -0.01 0.42 -0.56 0.00 0.00 175.26 175.35 2dmf s ILE 42 N 0.59 0.16 0.44 -3.70 1.01 -1.01 0.17 121.20 118.86 2dmf s ILE 42 Ca 0.03 -0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.71 2dmf s ILE 42 Cb -0.13 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 2dmf s ILE 42 CO 0.01 0.08 0.15 -0.31 0.00 0.00 0.00 174.94 174.87 2dmf s TYR 43 N 0.28 2.42 -0.20 3.97 2.02 -0.63 -1.32 117.35 123.90 2dmf s TYR 43 Ca -0.03 -0.67 -0.28 0.00 -0.37 0.00 0.00 57.07 55.73 2dmf s TYR 43 Cb -0.05 -1.88 0.11 0.00 -0.40 0.00 0.00 41.96 39.74 2dmf s TYR 43 CO -0.01 0.18 0.94 -1.50 -1.57 0.00 0.00 175.55 173.60 2dmf s ILE 44 N -2.67 0.00 -0.36 2.71 2.07 -1.25 -1.04 121.20 120.66 2dmf s ILE 44 Ca 0.35 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.63 2dmf s ILE 44 Cb 0.04 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.74 2dmf s ILE 44 CO 0.19 0.00 0.09 -0.89 -1.91 0.00 0.00 174.94 172.42 2dmf s THR 45 N -0.52 2.15 0.16 4.00 2.01 -0.33 -2.67 115.64 120.44 2dmf s THR 45 Ca -0.01 -2.37 -0.10 0.00 0.31 0.00 0.00 61.69 59.52 2dmf s THR 45 Cb -0.02 -2.58 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 2dmf s THR 45 CO -0.00 -0.64 0.48 -0.76 -0.69 0.00 0.00 174.62 173.01 2dmf s LEU 46 N 0.82 4.26 0.03 4.42 1.43 -1.26 -4.94 118.68 123.44 2dmf s LEU 46 Ca 0.12 0.86 0.06 0.00 -1.03 0.00 0.00 54.13 54.14 2dmf s LEU 46 Cb -0.20 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2dmf s LEU 46 CO -0.09 0.04 -0.17 -1.00 0.23 0.00 0.00 176.35 175.37 2dmf s HIS 47 N -1.62 1.46 0.12 0.29 3.76 -1.26 -4.22 115.29 113.81 2dmf s HIS 47 Ca 0.41 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.96 2dmf s HIS 47 Cb -0.13 -0.88 0.03 0.00 1.11 0.00 0.00 32.58 32.71 2dmf s HIS 47 CO 0.21 0.05 0.10 -0.35 -0.85 0.00 0.00 174.74 173.90 2dmf n PRO 48 N 2.02 -1.22 -3.60 8.40 -0.04 -1.26 -4.78 135.00 134.52 2dmf n PRO 48 Ca -0.17 -0.17 -0.29 0.00 -0.04 0.00 0.00 63.50 62.83 2dmf n PRO 48 Cb 0.54 -0.16 -0.13 0.00 -0.04 0.00 0.00 33.50 33.72 2dmf n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf s ALA 49 N -2.98 1.48 0.29 0.55 0.00 -1.26 -4.92 121.76 114.92 2dmf s ALA 49 Ca 0.07 -2.12 0.11 0.00 0.00 0.00 0.00 51.96 50.02 2dmf s ALA 49 Cb -0.01 -1.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 2dmf s ALA 49 CO 0.05 -2.03 -0.13 0.99 0.00 0.00 0.00 175.76 174.64 2dmf s THR 50 N 0.87 2.71 0.24 0.00 2.01 -1.26 -5.03 115.64 115.17 2dmf s THR 50 Ca 0.17 -2.25 -0.05 0.00 0.31 0.00 0.00 61.69 59.87 2dmf s THR 50 Cb -0.23 -2.49 0.20 0.00 0.01 0.00 0.00 72.50 69.99 2dmf s THR 50 CO -0.03 -0.37 1.78 0.00 -0.69 0.00 0.00 174.62 175.31 2dmf h ALA 51 N 2.13 1.07 -0.68 7.40 0.00 -2.01 -1.75 119.26 125.42 2dmf h ALA 51 Ca -0.41 0.06 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 2dmf h ALA 51 Cb 1.26 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 2dmf h ALA 51 CO 0.61 -0.04 0.60 -1.91 0.00 0.00 0.00 179.25 178.50 2dmf n GLU 52 N -4.86 2.40 -0.13 0.00 2.13 -1.26 -4.24 120.64 114.69 2dmf n GLU 52 Ca 0.13 -2.57 0.05 0.00 0.66 0.00 0.00 57.16 55.43 2dmf n GLU 52 Cb 0.31 -2.09 0.12 0.00 0.27 0.00 0.00 31.44 30.05 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2dmf n ASP 53 N 0.28 2.65 -4.55 4.31 5.75 -0.66 -4.72 116.55 119.60 2dmf n ASP 53 Ca 0.48 -1.94 -0.38 0.00 -0.01 0.00 0.00 54.79 52.95 2dmf n ASP 53 Cb 0.50 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2dmf n ASP 53 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2dmf s GLN 54 N -0.97 2.66 -1.68 0.11 -1.52 -1.26 -3.04 119.66 113.96 2dmf s GLN 54 Ca 0.18 0.47 0.00 0.00 -1.95 0.00 0.00 55.36 54.06 2dmf s GLN 54 Cb 0.10 -4.44 0.00 0.00 -0.22 0.00 0.00 33.01 28.45 2dmf s GLN 54 CO 0.13 -2.75 0.00 -0.25 -0.25 0.00 0.00 175.29 172.17 2dmf n ASP 55 N 12.62 -5.54 -3.68 5.90 9.92 -1.26 -4.97 116.55 129.55 2dmf n ASP 55 Ca 0.21 0.01 -0.09 0.00 -0.53 0.00 0.00 54.79 54.39 2dmf n ASP 55 Cb 0.51 -4.59 -0.10 0.00 -0.64 0.00 0.00 41.12 36.31 2dmf n ASP 55 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2dmf s SER 56 N -2.17 -0.53 0.04 -2.24 0.01 -1.17 -5.16 113.70 102.48 2dmf s SER 56 Ca 0.00 1.03 0.03 0.00 1.31 0.00 0.00 55.95 58.32 2dmf s SER 56 Cb 0.00 1.08 -0.02 0.00 0.21 0.00 0.00 66.02 67.28 2dmf s SER 56 CO 0.00 -0.21 -0.09 -1.10 0.41 0.00 0.00 173.24 172.25 2dmf s GLN 57 N 1.83 0.60 0.09 12.44 -1.52 -1.26 -4.23 119.66 127.61 2dmf s GLN 57 Ca -0.07 -0.72 0.00 0.00 -1.95 0.00 0.00 55.36 52.61 2dmf s GLN 57 Cb -0.09 -0.45 0.00 0.00 -0.22 0.00 0.00 33.01 32.25 2dmf s GLN 57 CO -0.14 0.09 0.00 0.98 -0.25 0.00 0.00 175.29 175.97 2dmf n TYR 58 N 1.65 -0.50 -2.72 0.91 9.36 -1.26 -5.07 117.16 119.53 2dmf n TYR 58 Ca -0.21 0.09 -0.39 0.00 3.32 0.00 0.00 57.90 60.71 2dmf n TYR 58 Cb 0.55 0.20 -0.06 0.00 -0.63 0.00 0.00 39.34 39.40 2dmf n TYR 58 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2dmf s VAL 59 N -1.52 4.03 0.07 2.97 0.11 -1.26 -4.96 120.40 119.84 2dmf s VAL 59 Ca 0.00 1.95 -0.27 0.00 -2.93 0.00 0.00 61.98 60.73 2dmf s VAL 59 Cb 0.00 -4.20 0.08 0.00 -1.53 0.00 0.00 36.38 30.73 2dmf s VAL 59 CO 0.00 0.40 0.92 0.00 -3.33 0.00 0.00 175.10 173.08 2dmf s PHE 61 N -3.21 -1.00 -0.57 0.00 -0.71 -1.26 -2.08 117.98 109.15 2dmf s PHE 61 Ca 0.08 1.61 -0.27 0.00 -1.04 0.00 0.00 56.93 57.31 2dmf s PHE 61 Cb -0.01 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.19 2dmf s PHE 61 CO -0.04 -0.60 1.59 0.99 -1.34 0.00 0.00 175.22 175.82 2dmf s THR 62 N 2.69 3.60 -0.81 -4.49 2.01 -0.85 -4.26 115.64 113.53 2dmf s THR 62 Ca 0.02 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 2dmf s THR 62 Cb -0.13 -4.24 0.03 0.00 0.01 0.00 0.00 72.50 68.17 2dmf s THR 62 CO -0.15 -1.07 1.42 -0.22 -0.69 0.00 0.00 174.62 173.91 2dmf s LEU 63 N 7.11 3.26 -0.11 4.42 2.96 -1.09 -2.01 118.68 133.23 2dmf s LEU 63 Ca 0.58 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 2dmf s LEU 63 Cb -0.12 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 2dmf s LEU 63 CO 0.23 -1.86 1.14 -0.69 -1.32 0.00 0.00 176.35 173.86 2dmf s VAL 64 N 6.13 4.45 -0.30 1.68 1.01 0.15 -3.82 120.40 129.69 2dmf s VAL 64 Ca 0.43 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.18 2dmf s VAL 64 Cb -0.06 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.26 2dmf s VAL 64 CO 0.08 -0.04 -0.02 -0.76 0.00 0.00 0.00 175.10 174.36 2dmf s LEU 65 N 2.47 3.99 -0.49 3.92 1.43 -0.43 -1.89 118.68 127.68 2dmf s LEU 65 Ca 0.52 -1.58 -0.16 0.00 -1.03 0.00 0.00 54.13 51.89 2dmf s LEU 65 Cb -0.21 -1.63 0.08 0.00 0.03 0.00 0.00 46.19 44.46 2dmf s LEU 65 CO 0.18 -0.28 0.43 -1.58 0.23 0.00 0.00 176.35 175.33 2dmf s GLN 66 N 1.10 2.99 -0.48 1.70 0.74 -0.18 -2.41 119.66 123.11 2dmf s GLN 66 Ca -0.02 -1.40 -0.22 0.00 0.05 0.00 0.00 55.36 53.76 2dmf s GLN 66 Cb -0.20 -4.17 0.04 0.00 1.10 0.00 0.00 33.01 29.78 2dmf s GLN 66 CO -0.05 -1.10 0.77 0.08 -0.55 0.00 0.00 175.29 174.44 2dmf s VAL 67 N 1.69 4.66 0.00 1.34 1.01 -0.49 0.01 120.40 128.62 2dmf s VAL 67 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2dmf s VAL 67 Cb -0.25 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2dmf s VAL 67 CO 0.06 -0.81 0.00 -0.81 0.00 0.00 0.00 175.10 173.54 2dmf n PRO 68 N 6.71 -0.87 0.08 2.72 -0.04 -1.26 -0.21 135.00 142.14 2dmf n PRO 68 Ca -0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2dmf n PRO 68 Cb 0.47 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.81 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 -2.00 0.24 -0.56 0.55 0.00 -1.45 -3.31 119.26 112.73 2dmf h ALA 69 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 2dmf h ALA 69 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2dmf h ALA 69 CO 0.00 1.12 0.19 0.93 0.00 0.00 0.00 179.25 181.49 2dmf h GLU 70 N 0.03 0.85 -3.98 0.00 4.39 -1.90 -3.45 114.58 110.53 2dmf h GLU 70 Ca -0.07 -0.18 -0.44 0.00 0.34 0.00 0.00 59.36 59.02 2dmf h GLU 70 Cb 1.86 -0.13 0.08 0.00 -0.10 0.00 0.00 28.75 30.46 2dmf h GLU 70 CO 0.16 0.77 -0.42 0.98 -1.16 0.00 0.00 179.01 179.34 2dmf n TYR 71 N -4.46 -0.60 0.23 4.33 4.19 -1.23 -1.75 117.16 117.86 2dmf n TYR 71 Ca 0.03 0.58 0.10 0.00 3.31 0.00 0.00 57.90 61.92 2dmf n TYR 71 Cb 0.19 -1.27 0.51 0.00 0.49 0.00 0.00 39.34 39.26 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 0.55 0.00 -0.63 2.98 0.13 -1.87 -3.44 132.00 129.71 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 0.96 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.97 2dmf h PRO 72 CO 0.36 0.22 0.31 0.72 -0.23 0.00 0.00 178.00 179.38 2dmf n HIS 73 N -3.48 0.71 -4.73 1.56 8.25 -0.72 -3.64 115.22 113.16 2dmf n HIS 73 Ca -0.00 0.75 -0.33 0.00 -0.26 0.00 0.00 57.72 57.87 2dmf n HIS 73 Cb 0.39 -1.16 -0.14 0.00 1.12 0.00 0.00 29.99 30.20 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 -5.01 3.36 0.42 -0.41 2.56 -1.24 -4.71 118.70 113.67 2dmf s GLU 74 Ca -0.06 -0.66 -0.26 0.00 0.00 0.00 0.00 54.97 53.99 2dmf s GLU 74 Cb 0.21 -2.65 -0.09 0.00 2.00 0.00 0.00 34.13 33.60 2dmf s GLU 74 CO 0.49 0.25 1.36 0.14 -0.56 0.00 0.00 175.26 176.94 2dmf s VAL 75 N 0.26 2.39 0.00 3.70 -7.23 -1.25 -3.54 120.40 114.73 2dmf s VAL 75 Ca -0.08 0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 60.14 2dmf s VAL 75 Cb -0.15 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.52 2dmf s VAL 75 CO 0.05 0.05 1.45 -2.16 -0.31 0.00 0.00 175.10 174.18 2dmf s PRO 76 N -2.31 4.26 -0.25 4.82 0.04 -1.26 -4.78 135.00 135.53 2dmf s PRO 76 Ca 0.58 2.02 -0.35 0.00 0.04 0.00 0.00 61.00 63.28 2dmf s PRO 76 Cb -0.40 -3.61 -0.12 0.00 0.04 0.00 0.00 34.50 30.41 2dmf s PRO 76 CO 0.52 -0.62 2.01 0.94 0.04 0.00 0.00 177.00 179.90 2dmf n GLN 77 N 5.55 1.48 -3.53 4.56 7.27 0.10 -4.53 117.38 128.28 2dmf n GLN 77 Ca 0.14 0.49 -0.37 0.00 0.07 0.00 0.00 57.00 57.33 2dmf n GLN 77 Cb 0.43 -2.50 -0.07 0.00 2.41 0.00 0.00 30.24 30.51 2dmf n GLN 77 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2dmf s ILE 78 N 5.68 5.30 -0.08 1.69 1.01 -1.26 -1.01 121.20 132.52 2dmf s ILE 78 Ca 1.02 0.52 -0.08 0.00 0.00 0.00 0.00 60.65 62.11 2dmf s ILE 78 Cb -0.82 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.05 2dmf s ILE 78 CO 0.52 0.37 0.23 -0.44 0.00 0.00 0.00 174.94 175.62 2dmf s SER 79 N 0.61 -0.23 -0.02 3.58 0.01 -0.79 -5.00 113.70 111.85 2dmf s SER 79 Ca 0.16 0.43 -0.17 0.00 1.31 0.00 0.00 55.95 57.67 2dmf s SER 79 Cb -0.13 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.50 2dmf s SER 79 CO 0.04 -0.10 0.48 -0.63 0.41 0.00 0.00 173.24 173.44 2dmf s ILE 80 N 0.03 5.01 -0.01 1.44 -1.09 -1.26 -0.68 121.20 124.64 2dmf s ILE 80 Ca -0.01 0.99 0.02 0.00 -2.23 0.00 0.00 60.65 59.42 2dmf s ILE 80 Cb -0.02 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2dmf s ILE 80 CO 0.00 0.48 -0.08 -0.60 -1.23 0.00 0.00 174.94 173.52 2dmf s ARG 81 N -0.48 0.62 -1.30 2.79 3.52 -0.85 -4.83 118.95 118.42 2dmf s ARG 81 Ca 0.26 -0.27 -0.03 0.00 -0.13 0.00 0.00 55.73 55.56 2dmf s ARG 81 Cb -0.17 -0.60 0.01 0.00 -1.56 0.00 0.00 34.95 32.63 2dmf s ARG 81 CO 0.14 0.16 0.93 0.09 -0.81 0.00 0.00 175.30 175.81 2dmf n ASN 82 N 2.90 -2.77 -4.64 -2.12 3.02 -1.26 -2.01 115.26 108.38 2dmf n ASN 82 Ca -0.13 -0.69 -0.43 0.00 -0.03 0.00 0.00 54.58 53.30 2dmf n ASN 82 Cb 0.57 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.09 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 -5.86 3.96 -0.18 3.52 0.04 -1.26 -4.50 135.00 130.71 2dmf s PRO 83 Ca 0.17 1.79 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 2dmf s PRO 83 Cb -0.08 -3.98 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 2dmf s PRO 83 CO 0.77 -1.10 -0.03 0.50 0.04 0.00 0.00 177.00 177.18 2dmf s ARG 84 N 4.34 3.57 0.00 4.56 3.52 -0.89 -4.67 118.95 129.39 2dmf s ARG 84 Ca 0.69 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 2dmf s ARG 84 Cb -0.27 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 2dmf s ARG 84 CO 0.27 0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.23 2dmf n GLY 85 N 4.06 1.56 3.62 8.12 0.00 -1.26 -3.79 105.19 117.50 2dmf n GLY 85 Ca -0.17 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 3.72 0.77 0.99 1.43 -1.26 -4.37 118.68 119.96 2dmf s LEU 86 Ca 0.00 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 2dmf s LEU 86 Cb 0.00 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.75 2dmf s LEU 86 CO 0.00 -1.57 1.14 -0.55 0.23 0.00 0.00 176.35 175.60 2dmf s SER 87 N 6.03 4.83 0.30 2.29 0.15 -1.26 -4.66 113.70 121.37 2dmf s SER 87 Ca 0.85 0.94 -0.01 0.00 0.70 0.00 0.00 55.95 58.43 2dmf s SER 87 Cb -0.29 -1.56 0.66 0.00 -1.71 0.00 0.00 66.02 63.12 2dmf s SER 87 CO 0.34 -1.71 1.57 0.44 1.20 0.00 0.00 173.24 175.08 2dmf h ASP 88 N -0.92 -0.57 0.24 5.45 5.19 -1.99 0.93 116.42 124.76 2dmf h ASP 88 Ca -0.46 0.28 -0.01 0.00 -0.62 0.00 0.00 57.03 56.22 2dmf h ASP 88 Cb 1.30 0.51 0.00 0.00 0.18 0.00 0.00 39.33 41.31 2dmf h ASP 88 CO 0.65 -0.34 -0.14 -0.08 -3.12 0.00 0.00 179.24 176.22 2dmf h GLU 89 N 0.01 -0.34 -0.86 3.56 4.57 -2.00 -0.25 114.58 119.28 2dmf h GLU 89 Ca 0.56 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.97 2dmf h GLU 89 Cb 1.08 0.08 -0.15 0.00 -0.16 0.00 0.00 28.75 29.60 2dmf h GLU 89 CO -0.93 -0.22 0.02 1.96 -1.18 0.00 0.00 179.01 178.66 2dmf h GLN 90 N -0.35 0.08 0.21 1.92 1.08 -1.63 0.21 115.11 116.63 2dmf h GLN 90 Ca -0.03 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2dmf h GLN 90 Cb 0.28 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2dmf h GLN 90 CO 0.04 0.05 -0.20 0.82 -0.95 0.00 0.00 178.83 178.59 2dmf h ILE 91 N 0.08 0.56 -0.92 2.54 2.04 -0.74 -2.51 117.51 118.56 2dmf h ILE 91 Ca 0.49 0.00 0.30 0.00 1.00 0.00 0.00 64.86 66.65 2dmf h ILE 91 Cb 0.93 0.56 -0.17 0.00 -0.74 0.00 0.00 36.82 37.40 2dmf h ILE 91 CO -0.77 0.00 0.18 1.57 0.00 0.00 0.00 178.15 179.13 2dmf n HIS 92 N -5.33 0.75 0.37 1.37 -0.00 0.05 -0.06 115.22 112.37 2dmf n HIS 92 Ca -0.08 1.10 -0.18 0.00 0.46 0.00 0.00 57.72 59.02 2dmf n HIS 92 Cb 0.24 -1.29 -0.09 0.00 -0.12 0.00 0.00 29.99 28.73 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 0.32 -0.62 3.57 2.02 -1.29 -2.79 112.91 114.12 2dmf h THR 93 Ca 0.63 -0.06 0.06 0.00 0.77 0.00 0.00 66.41 67.81 2dmf h THR 93 Cb 1.46 0.34 -0.07 0.00 -1.74 0.00 0.00 68.15 68.14 2dmf h THR 93 CO -0.81 0.01 -0.36 -0.38 0.37 0.00 0.00 175.52 174.34 2dmf n ILE 94 N -5.47 -0.42 0.05 3.11 5.41 0.92 -0.88 119.36 122.07 2dmf n ILE 94 Ca -0.14 1.79 -0.15 0.00 1.00 0.00 0.00 62.75 65.26 2dmf n ILE 94 Cb 0.37 -2.25 -0.10 0.00 -0.71 0.00 0.00 39.64 36.96 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 -1.60 -0.95 1.39 3.38 -1.52 0.21 115.31 116.22 2dmf h LEU 95 Ca 0.10 0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.47 2dmf h LEU 95 Cb 0.25 0.61 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 2dmf h LEU 95 CO -0.58 -0.50 -0.12 1.56 0.09 0.00 0.00 178.44 178.89 2dmf h GLN 96 N -0.64 0.01 0.00 1.13 1.08 -0.72 0.31 115.11 116.27 2dmf h GLN 96 Ca 0.01 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dmf h GLN 96 Cb 0.69 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2dmf h GLN 96 CO -0.35 0.01 0.00 0.28 -0.95 0.00 0.00 178.83 177.82 2dmf n VAL 97 N -5.54 0.00 -0.43 -0.54 0.31 -0.24 -2.02 118.33 109.87 2dmf n VAL 97 Ca 0.18 1.04 0.37 0.00 -0.01 0.00 0.00 64.34 65.92 2dmf n VAL 97 Cb 0.59 -2.03 0.62 0.00 -0.91 0.00 0.00 33.84 32.11 2dmf n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2dmf n LEU 98 N -1.95 0.19 -0.05 7.52 4.77 0.64 0.20 117.00 128.31 2dmf n LEU 98 Ca 0.00 1.25 -0.16 0.00 -0.03 0.00 0.00 56.01 57.07 2dmf n LEU 98 Cb 0.00 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 2dmf n LEU 98 CO 0.00 -1.35 0.36 1.23 -1.33 0.00 0.00 177.39 176.30 2dmf h GLY 99 N 0.00 0.90 0.56 -0.72 0.00 -0.41 -3.15 103.07 100.24 2dmf h GLY 99 Ca 0.80 -1.15 0.10 0.00 0.00 0.00 0.00 47.33 47.08 2dmf h GLY 99 CO -0.41 1.03 0.57 0.84 0.00 0.00 0.00 176.54 178.56 2dmf h HIS 100 N 0.57 1.03 -0.64 5.60 -0.00 0.29 -0.74 115.15 121.25 2dmf h HIS 100 Ca -0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 2dmf h HIS 100 Cb 1.26 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 28.31 2dmf h HIS 100 CO 0.08 0.45 0.22 0.28 -0.00 0.00 0.00 177.93 178.96 2dmf h VAL 101 N 0.95 1.23 0.34 5.26 2.07 -1.47 -1.93 116.25 122.70 2dmf h VAL 101 Ca 0.44 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2dmf h VAL 101 Cb 0.36 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2dmf h VAL 101 CO -0.23 0.30 -0.16 0.00 0.02 0.00 0.00 177.57 177.50 2dmf h ALA 102 N 1.30 -0.45 -0.92 1.67 0.00 -1.17 -1.44 119.26 118.25 2dmf h ALA 102 Ca 0.21 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.12 2dmf h ALA 102 Cb 0.23 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2dmf h ALA 102 CO -0.01 -0.56 0.59 0.87 0.00 0.00 0.00 179.25 180.14 2dmf h LYS 103 N -0.86 0.56 0.00 0.00 1.57 -1.16 0.39 116.57 117.08 2dmf h LYS 103 Ca -0.05 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2dmf h LYS 103 Cb 0.53 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2dmf h LYS 103 CO 0.08 0.37 -0.24 0.00 -0.57 0.00 0.00 179.45 179.08 2dmf h ALA 104 N 1.61 0.90 -0.86 3.86 0.00 -1.30 -3.22 119.26 120.26 2dmf h ALA 104 Ca 0.48 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 54.61 2dmf h ALA 104 Cb 0.97 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.42 2dmf h ALA 104 CO -0.23 0.30 0.34 0.41 0.00 0.00 0.00 179.25 180.07 2dmf n GLY 105 N 0.74 5.66 3.77 0.00 0.00 0.13 -5.01 105.19 110.48 2dmf n GLY 105 Ca 0.02 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 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 4.36 0.00 0.99 1.43 -0.95 -3.01 118.68 117.88 2dmf s LEU 106 Ca 0.58 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.99 2dmf s LEU 106 Cb 0.47 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2dmf s LEU 106 CO 0.02 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2dmf n GLY 107 N 0.83 0.70 2.03 -3.19 0.00 -1.24 -4.94 105.19 99.38 2dmf n GLY 107 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.57 0.00 -2.67 2.61 -2.24 -1.16 -4.90 114.28 103.34 2dmf n THR 108 Ca 0.00 -1.21 -0.42 0.00 -2.27 0.00 0.00 64.05 60.16 2dmf n THR 108 Cb 0.00 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.46 3.21 0.00 6.98 0.00 -1.26 -4.68 121.76 123.55 2dmf s ALA 109 Ca 0.20 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2dmf s ALA 109 Cb -0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2dmf s ALA 109 CO 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.69 2dmf n MET 110 N 3.62 2.07 -0.27 0.00 3.85 -1.26 -4.74 117.12 120.39 2dmf n MET 110 Ca 0.05 0.00 0.09 0.00 -1.00 0.00 0.00 57.70 56.85 2dmf n MET 110 Cb 0.50 -0.77 0.19 0.00 -1.05 0.00 0.00 33.22 32.09 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 -1.32 -0.15 -0.14 3.17 4.77 -1.26 0.23 117.00 122.30 2dmf n LEU 111 Ca 0.00 1.31 -0.12 0.00 -0.03 0.00 0.00 56.01 57.17 2dmf n LEU 111 Cb 0.27 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 2dmf n LEU 111 CO 0.00 -1.30 0.62 0.22 -1.33 0.00 0.00 177.39 175.59 2dmf h TYR 112 N 0.00 1.13 0.46 -1.77 5.03 -1.95 -3.08 116.97 116.80 2dmf h TYR 112 Ca 0.43 -0.30 -0.02 0.00 2.58 0.00 0.00 58.73 61.42 2dmf h TYR 112 Cb 0.83 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.86 2dmf h TYR 112 CO -0.45 1.13 -0.22 0.93 -1.32 0.00 0.00 178.16 178.22 2dmf h GLU 113 N 0.81 -0.60 -0.89 1.82 5.08 0.26 -2.86 114.58 118.20 2dmf h GLU 113 Ca 0.09 0.04 0.32 0.00 -1.00 0.00 0.00 59.36 58.81 2dmf h GLU 113 Cb 0.87 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.10 2dmf h GLU 113 CO 0.08 -0.40 0.29 1.28 -1.00 0.00 0.00 179.01 179.27 2dmf n LEU 114 N -4.35 0.14 0.38 1.33 4.77 0.15 -0.43 117.00 118.99 2dmf n LEU 114 Ca -0.08 1.49 -0.15 0.00 -0.03 0.00 0.00 56.01 57.25 2dmf n LEU 114 Cb 0.24 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.61 2dmf n LEU 114 CO 0.18 -1.61 0.49 0.40 -1.33 0.00 0.00 177.39 175.53 2dmf h ILE 115 N 0.00 0.00 -0.77 -0.08 2.04 -1.52 -2.22 117.51 114.96 2dmf h ILE 115 Ca 0.67 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 66.59 2dmf h ILE 115 Cb 1.64 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.60 2dmf h ILE 115 CO -0.75 0.00 -0.31 -0.62 0.00 0.00 0.00 178.15 176.47 2dmf n GLU 116 N -4.75 -0.19 0.30 2.37 1.02 0.43 -0.06 120.64 119.76 2dmf n GLU 116 Ca -0.12 1.18 -0.17 0.00 -0.02 0.00 0.00 57.16 58.03 2dmf n GLU 116 Cb 0.38 -1.75 -0.09 0.00 -0.02 0.00 0.00 31.44 29.97 2dmf n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dmf h LYS 117 N 0.00 -0.86 -0.85 3.49 1.63 -1.45 -2.74 116.57 115.79 2dmf h LYS 117 Ca 0.26 0.06 0.23 0.00 -0.85 0.00 0.00 60.65 60.34 2dmf h LYS 117 Cb 0.45 0.20 -0.16 0.00 -0.60 0.00 0.00 32.23 32.11 2dmf h LYS 117 CO -0.76 -0.57 -0.00 0.41 -3.45 0.00 0.00 179.45 175.07 2dmf n GLY 118 N -1.51 -1.18 0.18 5.01 0.00 0.91 0.10 105.19 108.70 2dmf n GLY 118 Ca -0.12 0.84 -0.03 0.00 0.00 0.00 0.00 46.02 46.71 2dmf n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmf h LYS 119 N 0.00 0.16 0.67 1.61 1.57 -1.11 -2.32 116.57 117.15 2dmf h LYS 119 Ca 0.51 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.24 2dmf h LYS 119 Cb 1.02 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.30 2dmf h LYS 119 CO -0.81 0.11 -0.32 0.93 -0.57 0.00 0.00 179.45 178.79 2dmf h GLU 120 N 0.17 -0.87 -1.45 3.15 5.08 0.70 -1.47 114.58 119.89 2dmf h GLU 120 Ca 0.22 0.06 0.42 0.00 -1.00 0.00 0.00 59.36 59.06 2dmf h GLU 120 Cb 0.31 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2dmf h GLU 120 CO -0.33 -0.58 1.31 -0.89 -1.00 0.00 0.00 179.01 177.52 2dmf n ILE 121 N -4.77 0.00 0.00 3.13 5.41 -0.68 -0.54 119.36 121.91 2dmf n ILE 121 Ca -0.11 1.36 0.00 0.00 1.00 0.00 0.00 62.75 65.00 2dmf n ILE 121 Cb 0.36 -2.35 0.00 0.00 -0.71 0.00 0.00 39.64 36.93 2dmf n ILE 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2dmf n LEU 122 N -3.53 0.13 -0.54 1.39 7.94 -0.89 -3.30 117.00 118.21 2dmf n LEU 122 Ca 0.33 0.37 0.44 0.00 -1.11 0.00 0.00 56.01 56.03 2dmf n LEU 122 Cb 1.75 -0.47 0.75 0.00 0.53 0.00 0.00 43.42 45.97 2dmf n LEU 122 CO 0.33 -0.47 1.37 0.00 -1.11 0.00 0.00 177.39 177.50 2dmf h THR 123 N 0.00 0.14 -0.23 1.96 1.03 -0.24 0.87 112.91 116.44 2dmf h THR 123 Ca 0.00 -0.01 -0.07 0.00 -0.01 0.00 0.00 66.41 66.31 2dmf h THR 123 Cb 0.00 0.10 -0.01 0.00 -1.07 0.00 0.00 68.15 67.17 2dmf h THR 123 CO 0.00 0.01 -0.14 -0.78 -0.01 0.00 0.00 175.52 174.60 2dmf h ASP 124 N 0.04 0.52 -2.11 0.00 1.82 -0.97 -3.32 116.42 112.39 2dmf h ASP 124 Ca 0.82 -0.43 -0.62 0.00 -0.39 0.00 0.00 57.03 56.41 2dmf h ASP 124 Cb 3.03 -0.14 -0.40 0.00 0.68 0.00 0.00 39.33 42.50 2dmf h ASP 124 CO -0.15 0.84 -0.42 0.59 -1.61 0.00 0.00 179.24 178.49 2dmf n ASN 125 N -4.48 4.96 -1.57 2.28 3.02 0.29 -4.82 115.26 114.94 2dmf n ASN 125 Ca -0.04 -3.70 -0.09 0.00 -0.03 0.00 0.00 54.58 50.71 2dmf n ASN 125 Cb 0.36 -0.62 0.13 0.00 -0.61 0.00 0.00 39.78 39.04 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2dmf n ASN 126 N -0.29 3.45 -4.70 6.41 6.94 -0.39 -4.88 115.26 121.80 2dmf n ASN 126 Ca 0.35 -2.79 -0.42 0.00 -0.02 0.00 0.00 54.58 51.70 2dmf n ASN 126 Cb 0.43 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 37.15 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2dmf s ILE 127 N -1.83 4.61 0.86 1.53 1.09 -1.26 -4.89 121.20 121.30 2dmf s ILE 127 Ca 0.31 1.88 -0.11 0.00 -1.10 0.00 0.00 60.65 61.62 2dmf s ILE 127 Cb 0.25 -4.20 0.11 0.00 -1.06 0.00 0.00 42.46 37.55 2dmf s ILE 127 CO 0.07 0.09 1.09 -2.16 -0.10 0.00 0.00 174.94 173.93 2dmf s PRO 128 N 1.41 1.58 0.03 2.79 0.04 -1.26 -4.74 135.00 134.84 2dmf s PRO 128 Ca 0.53 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 2dmf s PRO 128 Cb -0.22 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dmf s PRO 128 CO 0.25 -2.05 0.37 -1.58 0.04 0.00 0.00 177.00 174.03 2dmf s HIS 129 N -2.93 -0.21 0.00 0.56 2.46 -1.26 -4.75 115.29 109.16 2dmf s HIS 129 Ca 0.63 0.19 0.00 0.00 0.47 0.00 0.00 55.06 56.34 2dmf s HIS 129 Cb -0.18 0.16 0.00 0.00 -0.13 0.00 0.00 32.58 32.44 2dmf s HIS 129 CO 0.57 -0.52 0.00 0.41 -2.47 0.00 0.00 174.74 172.73 2dmf n GLY 130 N 0.69 2.60 2.80 1.59 0.00 -1.26 -4.80 105.19 106.81 2dmf n GLY 130 Ca -0.19 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2dmf n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmf s GLN 131 N 0.00 0.92 -1.35 1.61 -1.52 -1.26 -4.81 119.66 113.25 2dmf s GLN 131 Ca 0.00 -1.17 -0.08 0.00 -1.95 0.00 0.00 55.36 52.16 2dmf s GLN 131 Cb 0.00 -2.26 0.02 0.00 -0.22 0.00 0.00 33.01 30.55 2dmf s GLN 131 CO 0.00 -0.93 1.13 0.43 -0.25 0.00 0.00 175.29 175.67 2dmf n SER 132 N 4.74 -5.48 -4.31 5.90 7.64 -1.26 -4.95 113.62 115.91 2dmf n SER 132 Ca -0.02 -0.58 -0.46 0.00 1.01 0.00 0.00 58.87 58.82 2dmf n SER 132 Cb 0.42 -4.91 -0.05 0.00 -1.01 0.00 0.00 64.21 58.66 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 -3.50 2.09 -0.08 0.23 0.00 -1.26 -5.04 107.32 99.75 2dmf s GLY 133 Ca 0.50 -2.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.39 2dmf s GLY 133 CO 0.74 1.19 1.52 2.56 0.00 0.00 0.00 173.10 179.11 2dmf s PRO 134 N 1.59 4.20 0.04 2.90 0.04 -1.26 -4.78 135.00 137.73 2dmf s PRO 134 Ca 0.03 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.03 2dmf s PRO 134 Cb -0.30 -3.89 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 2dmf s PRO 134 CO 0.03 -0.79 0.28 -1.12 0.04 0.00 0.00 177.00 175.45 2dmf s SER 135 N 2.82 6.48 -0.03 6.66 0.01 -1.26 -5.02 113.70 123.36 2dmf s SER 135 Ca 0.67 0.53 0.02 0.00 1.31 0.00 0.00 55.95 58.48 2dmf s SER 135 Cb -0.30 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 63.87 2dmf s SER 135 CO 0.25 0.20 -0.06 -0.44 0.41 0.00 0.00 173.24 173.60 2dmf s SER 136 N -1.93 0.95 0.00 2.44 0.01 -1.26 -5.24 113.70 108.66 2dmf s SER 136 Ca 0.31 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dmf s SER 136 Cb -0.13 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2dmf s SER 136 CO 0.19 -0.00 0.37 0.61 0.41 0.00 0.00 173.24 174.82