#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 6.72 0.02 1.61 1.04 -1.26 -5.00 113.70 116.83 2dmf s SER 2 Ca 0.00 2.15 0.01 0.00 0.48 0.00 0.00 55.95 58.59 2dmf s SER 2 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2dmf s SER 2 CO 0.00 -0.89 -0.05 -0.44 0.98 0.00 0.00 173.24 172.84 2dmf s SER 3 N 3.05 0.49 -0.40 7.02 0.01 -1.26 -5.08 113.70 117.53 2dmf s SER 3 Ca 0.70 -0.29 0.11 0.00 1.31 0.00 0.00 55.95 57.78 2dmf s SER 3 Cb -0.31 0.01 0.35 0.00 0.21 0.00 0.00 66.02 66.28 2dmf s SER 3 CO 0.27 -0.10 0.78 0.61 0.41 0.00 0.00 173.24 175.21 2dmf n GLY 4 N 2.26 3.87 3.16 3.44 0.00 -1.26 -5.08 105.19 111.58 2dmf n GLY 4 Ca -0.18 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.66 2.23 0.23 1.61 1.04 -1.26 -5.03 113.70 109.87 2dmf s SER 5 Ca 0.41 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.42 2dmf s SER 5 Cb 0.34 -0.48 0.22 0.00 0.10 0.00 0.00 66.02 66.20 2dmf s SER 5 CO -0.09 0.19 1.79 0.77 0.98 0.00 0.00 173.24 176.89 2dmf h SER 6 N 6.02 1.03 -4.19 7.02 4.64 -2.09 -3.49 113.55 122.50 2dmf h SER 6 Ca -0.34 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2dmf h SER 6 Cb 1.16 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 2dmf h SER 6 CO 0.48 0.93 -0.95 0.61 -0.87 0.00 0.00 176.83 177.03 2dmf n GLY 7 N -0.88 -4.90 3.70 -0.77 0.00 -1.26 -5.04 105.19 96.04 2dmf n GLY 7 Ca 0.07 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 2dmf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmf s GLU 8 N -2.81 2.13 -0.68 1.61 2.56 -1.26 -5.04 118.70 115.20 2dmf s GLU 8 Ca 0.00 -1.99 -0.01 0.00 0.00 0.00 0.00 54.97 52.97 2dmf s GLU 8 Cb 0.00 -1.83 0.43 0.00 2.00 0.00 0.00 34.13 34.73 2dmf s GLU 8 CO 0.00 -0.13 1.96 -1.91 -0.56 0.00 0.00 175.26 174.62 2dmf n GLU 9 N -1.16 2.78 -2.21 4.30 2.13 -1.26 -4.60 120.64 120.62 2dmf n GLU 9 Ca -0.04 -3.43 -0.28 0.00 0.66 0.00 0.00 57.16 54.08 2dmf n GLU 9 Cb 0.66 -2.28 0.02 0.00 0.27 0.00 0.00 31.44 30.10 2dmf n GLU 9 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dmf n ASP 10 N -0.81 5.24 -3.51 4.31 2.03 -1.26 -4.95 116.55 117.60 2dmf n ASP 10 Ca 0.59 -3.75 -0.09 0.00 0.52 0.00 0.00 54.79 52.06 2dmf n ASP 10 Cb 0.58 -0.51 -0.09 0.00 -0.72 0.00 0.00 41.12 40.38 2dmf n ASP 10 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2dmf s TRP 11 N -3.63 -0.77 -0.18 -0.67 -0.00 -1.26 -5.02 118.94 107.40 2dmf s TRP 11 Ca 0.50 1.14 0.16 0.00 -0.00 0.00 0.00 56.10 57.91 2dmf s TRP 11 Cb 0.41 0.14 0.13 0.00 -0.00 0.00 0.00 33.47 34.15 2dmf s TRP 11 CO -0.13 -0.58 1.48 -0.39 -0.00 0.00 0.00 176.95 177.33 2dmf h VAL 12 N 6.19 0.74 -0.58 5.86 -1.51 -1.92 -3.31 116.25 121.72 2dmf h VAL 12 Ca -0.17 -2.02 0.11 0.00 -1.23 0.00 0.00 66.70 63.39 2dmf h VAL 12 Cb 1.13 2.34 -0.11 0.00 -2.13 0.00 0.00 31.29 32.52 2dmf h VAL 12 CO 0.19 0.42 -0.23 0.25 -1.23 0.00 0.00 177.57 176.98 2dmf h LEU 13 N 0.00 -0.79 -0.29 4.19 7.12 -1.95 0.60 115.31 124.19 2dmf h LEU 13 Ca -0.00 0.20 -0.12 0.00 0.13 0.00 0.00 57.88 58.08 2dmf h LEU 13 Cb 1.31 0.45 -0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2dmf h LEU 13 CO 0.06 -0.25 -0.28 1.55 -0.13 0.00 0.00 178.44 179.38 2dmf h PRO 14 N -0.08 0.71 -0.15 5.25 0.13 -2.01 -2.76 132.00 133.09 2dmf h PRO 14 Ca 0.26 -0.37 0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2dmf h PRO 14 Cb 0.49 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 2dmf h PRO 14 CO -0.63 0.99 -0.12 0.77 -0.23 0.00 0.00 178.00 178.77 2dmf h SER 15 N 0.45 -0.39 -0.44 1.44 0.02 -1.41 -2.28 113.55 110.95 2dmf h SER 15 Ca 0.05 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2dmf h SER 15 Cb 0.85 0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2dmf h SER 15 CO 0.07 -0.16 0.29 -0.08 -1.14 0.00 0.00 176.83 175.81 2dmf h GLU 16 N -0.13 0.58 -1.00 3.45 4.57 -0.96 -2.36 114.58 118.72 2dmf h GLU 16 Ca 0.10 -0.03 0.22 0.00 -1.18 0.00 0.00 59.36 58.46 2dmf h GLU 16 Cb 0.27 -0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 28.63 2dmf h GLU 16 CO -0.23 0.38 0.61 0.28 -1.18 0.00 0.00 179.01 178.87 2dmf h VAL 17 N 0.59 0.63 -0.65 0.32 2.07 -1.12 -0.20 116.25 117.89 2dmf h VAL 17 Ca 0.16 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.60 2dmf h VAL 17 Cb -0.06 -0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 29.54 2dmf h VAL 17 CO -0.04 0.12 0.09 -0.33 0.02 0.00 0.00 177.57 177.43 2dmf h GLU 18 N 0.64 0.19 -0.09 1.57 4.39 -0.88 0.10 114.58 120.50 2dmf h GLU 18 Ca 0.60 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.25 2dmf h GLU 18 Cb 1.10 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2dmf h GLU 18 CO -0.39 0.13 -0.07 0.28 -1.16 0.00 0.00 179.01 177.80 2dmf h VAL 19 N 0.20 1.35 -0.10 3.13 2.07 -1.14 -3.24 116.25 118.52 2dmf h VAL 19 Ca 0.35 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.74 2dmf h VAL 19 Cb 0.57 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.21 2dmf h VAL 19 CO -0.49 0.33 -0.43 -0.07 0.02 0.00 0.00 177.57 176.93 2dmf h LEU 20 N -0.19 -1.34 -1.75 2.57 3.38 -0.81 0.86 115.31 118.03 2dmf h LEU 20 Ca 0.02 0.17 0.41 0.00 0.09 0.00 0.00 57.88 58.57 2dmf h LEU 20 Cb 0.56 0.54 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 2dmf h LEU 20 CO 0.02 -0.44 0.96 -0.33 0.09 0.00 0.00 178.44 178.74 2dmf h GLU 21 N -0.52 0.08 -0.15 1.13 4.39 -1.08 1.36 114.58 119.79 2dmf h GLU 21 Ca 0.06 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 2dmf h GLU 21 Cb 0.64 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2dmf h GLU 21 CO -0.38 0.05 -0.55 1.03 -1.16 0.00 0.00 179.01 178.01 2dmf h SER 22 N 0.08 0.50 0.00 1.42 0.87 -0.86 -0.33 113.55 115.23 2dmf h SER 22 Ca 0.72 -0.27 -0.04 0.00 -1.23 0.00 0.00 61.79 60.98 2dmf h SER 22 Cb 2.59 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 64.40 2dmf h SER 22 CO -0.15 0.95 -0.54 0.40 -0.53 0.00 0.00 176.83 176.96 2dmf h ILE 23 N 0.35 0.19 -1.24 2.23 2.04 0.19 -3.39 117.51 117.88 2dmf h ILE 23 Ca 0.01 -1.22 -0.67 0.00 1.00 0.00 0.00 64.86 63.98 2dmf h ILE 23 Cb 1.07 0.44 -0.27 0.00 -0.74 0.00 0.00 36.82 37.32 2dmf h ILE 23 CO 0.10 0.07 0.87 -1.22 0.00 0.00 0.00 178.15 177.97 2dmf n TYR 24 N -4.61 2.96 -0.31 1.37 4.01 0.19 -4.73 117.16 116.03 2dmf n TYR 24 Ca -0.10 -2.71 0.12 0.00 -0.16 0.00 0.00 57.90 55.05 2dmf n TYR 24 Cb 0.30 -1.34 0.25 0.00 -0.31 0.00 0.00 39.34 38.24 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 2.40 -0.38 0.00 7.72 -0.00 -1.17 -1.14 115.31 122.75 2dmf h LEU 25 Ca 0.56 0.24 -0.33 0.00 -0.00 0.00 0.00 57.88 58.36 2dmf h LEU 25 Cb 0.60 0.42 -0.05 0.00 -0.00 0.00 0.00 40.66 41.62 2dmf h LEU 25 CO 1.46 -0.28 -2.10 -0.90 -0.00 0.00 0.00 178.44 176.62 2dmf n ASP 26 N -5.41 1.56 -0.58 0.17 5.75 -1.26 -4.49 116.55 112.28 2dmf n ASP 26 Ca 0.20 0.19 0.47 0.00 -0.01 0.00 0.00 54.79 55.65 2dmf n ASP 26 Cb 0.66 -0.54 0.77 0.00 -1.03 0.00 0.00 41.12 40.98 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2dmf h GLU 27 N -0.61 0.00 -4.57 0.11 5.08 -1.87 -3.39 114.58 109.33 2dmf h GLU 27 Ca -0.49 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.62 2dmf h GLU 27 Cb 1.47 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.54 2dmf h GLU 27 CO -0.27 0.00 -0.72 -1.17 -1.00 0.00 0.00 179.01 175.85 2dmf s LEU 28 N -7.74 2.36 -0.04 1.33 0.20 -0.43 -2.85 118.68 111.50 2dmf s LEU 28 Ca -0.05 -0.74 0.03 0.00 0.69 0.00 0.00 54.13 54.06 2dmf s LEU 28 Cb 0.25 -0.11 0.00 0.00 -0.43 0.00 0.00 46.19 45.90 2dmf s LEU 28 CO 0.82 -0.33 -0.12 -1.10 -0.29 0.00 0.00 176.35 175.34 2dmf s GLN 29 N -2.55 1.41 -0.11 1.98 1.11 0.99 -4.58 119.66 117.92 2dmf s GLN 29 Ca -0.01 -0.43 -0.01 0.00 0.01 0.00 0.00 55.36 54.93 2dmf s GLN 29 Cb -0.03 -1.24 -0.03 0.00 -1.01 0.00 0.00 33.01 30.70 2dmf s GLN 29 CO -0.02 0.13 -0.08 0.08 0.01 0.00 0.00 175.29 175.41 2dmf s VAL 30 N 0.27 3.56 -0.08 1.09 1.01 -1.26 -0.77 120.40 124.22 2dmf s VAL 30 Ca -0.06 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2dmf s VAL 30 Cb -0.11 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2dmf s VAL 30 CO 0.02 0.55 -0.14 -0.63 0.00 0.00 0.00 175.10 174.90 2dmf s ILE 31 N -0.15 1.32 0.10 2.22 -1.09 0.17 -5.01 121.20 118.75 2dmf s ILE 31 Ca 0.01 -0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 57.74 2dmf s ILE 31 Cb -0.13 -1.20 -0.06 0.00 -1.58 0.00 0.00 42.46 39.48 2dmf s ILE 31 CO 0.03 0.40 0.48 -0.54 -1.23 0.00 0.00 174.94 174.08 2dmf s LYS 32 N 0.82 3.90 -0.14 2.79 1.02 -1.26 -2.22 119.74 124.64 2dmf s LYS 32 Ca -0.11 0.38 -0.18 0.00 0.02 0.00 0.00 55.97 56.08 2dmf s LYS 32 Cb -0.15 -3.01 0.05 0.00 -0.52 0.00 0.00 37.83 34.19 2dmf s LYS 32 CO 0.02 0.54 0.47 0.20 -0.92 0.00 0.00 175.35 175.66 2dmf s GLY 33 N -1.62 -0.35 -0.22 -3.33 0.00 -1.20 -4.98 107.32 95.63 2dmf s GLY 33 Ca 0.34 1.19 -0.19 0.00 0.00 0.00 0.00 44.72 46.06 2dmf s GLY 33 CO 0.18 0.99 0.04 0.70 0.00 0.00 0.00 173.10 175.00 2dmf n ASN 34 N 2.41 1.88 0.00 1.64 3.02 -1.26 -3.31 115.26 119.63 2dmf n ASN 34 Ca -0.15 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 2dmf n ASN 34 Cb 0.57 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2dmf n ASN 34 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dmf n GLY 35 N 1.41 1.47 0.10 7.41 0.00 -1.26 0.23 105.19 114.54 2dmf n GLY 35 Ca -0.34 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 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 8.24 0.53 -0.90 1.61 3.00 -1.26 -4.53 116.66 123.34 2dmf n ARG 36 Ca 0.00 0.31 0.02 0.00 -0.01 0.00 0.00 57.85 58.17 2dmf n ARG 36 Cb 0.00 -1.52 0.35 0.00 0.00 0.00 0.00 32.46 31.29 2dmf n ARG 36 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2dmf n THR 37 N -4.46 2.69 -4.23 0.55 5.66 -1.25 -4.93 114.28 108.32 2dmf n THR 37 Ca -0.21 -1.40 -0.30 0.00 -3.05 0.00 0.00 64.05 59.09 2dmf n THR 37 Cb 0.54 -0.33 -0.09 0.00 -1.55 0.00 0.00 70.33 68.90 2dmf n THR 37 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2dmf n SER 38 N 0.32 0.84 -4.77 1.09 3.41 0.13 -1.38 113.62 113.27 2dmf n SER 38 Ca 0.31 -1.21 -0.34 0.00 -0.26 0.00 0.00 58.87 57.37 2dmf n SER 38 Cb 1.23 -1.51 0.02 0.00 -0.26 0.00 0.00 64.21 63.69 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2dmf s PRO 39 N -7.15 3.17 -0.20 4.33 0.04 -1.21 -4.37 135.00 129.61 2dmf s PRO 39 Ca 0.02 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2dmf s PRO 39 Cb -0.01 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2dmf s PRO 39 CO 0.95 -0.98 -0.15 -1.58 0.04 0.00 0.00 177.00 175.27 2dmf s TRP 40 N -1.97 2.89 -0.16 0.56 0.52 0.14 -3.23 118.94 117.69 2dmf s TRP 40 Ca 0.71 -1.63 -0.19 0.00 0.02 0.00 0.00 56.10 55.01 2dmf s TRP 40 Cb -0.23 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2dmf s TRP 40 CO 0.32 -0.78 0.52 -2.00 0.02 0.00 0.00 176.95 175.03 2dmf s GLU 41 N 1.30 4.26 -0.09 4.98 2.56 -0.94 0.07 118.70 130.82 2dmf s GLU 41 Ca 0.03 0.46 0.01 0.00 0.00 0.00 0.00 54.97 55.48 2dmf s GLU 41 Cb -0.14 -3.51 0.02 0.00 2.00 0.00 0.00 34.13 32.49 2dmf s GLU 41 CO -0.10 -0.04 -0.12 0.42 -0.56 0.00 0.00 175.26 174.87 2dmf s ILE 42 N 1.26 1.20 0.09 -3.70 1.01 0.18 -0.66 121.20 120.59 2dmf s ILE 42 Ca 0.26 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2dmf s ILE 42 Cb -0.15 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2dmf s ILE 42 CO 0.10 0.38 0.02 -0.31 0.00 0.00 0.00 174.94 175.14 2dmf s TYR 43 N 1.03 3.04 -0.29 3.97 1.51 0.05 0.19 117.35 126.85 2dmf s TYR 43 Ca -0.07 -0.00 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 2dmf s TYR 43 Cb -0.15 -1.56 0.11 0.00 -0.11 0.00 0.00 41.96 40.26 2dmf s TYR 43 CO -0.01 0.49 0.67 -1.50 -1.11 0.00 0.00 175.55 174.09 2dmf s ILE 44 N -1.35 -0.67 -0.71 2.71 2.07 -1.19 -0.01 121.20 122.05 2dmf s ILE 44 Ca 0.27 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.33 2dmf s ILE 44 Cb -0.12 -1.00 0.13 0.00 0.13 0.00 0.00 42.46 41.60 2dmf s ILE 44 CO 0.19 0.00 0.82 -0.89 -1.91 0.00 0.00 174.94 173.15 2dmf s THR 45 N 2.48 4.92 0.54 4.00 2.01 -1.13 -0.70 115.64 127.76 2dmf s THR 45 Ca -0.07 -1.36 -0.19 0.00 0.31 0.00 0.00 61.69 60.37 2dmf s THR 45 Cb -0.10 -4.56 -0.06 0.00 0.01 0.00 0.00 72.50 67.80 2dmf s THR 45 CO -0.19 -1.21 1.09 -0.76 -0.69 0.00 0.00 174.62 172.86 2dmf s LEU 46 N 2.29 3.73 0.03 4.42 1.43 -1.25 -4.95 118.68 124.37 2dmf s LEU 46 Ca 0.18 2.06 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 2dmf s LEU 46 Cb -0.17 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.46 2dmf s LEU 46 CO 0.00 -1.11 -0.15 -1.00 0.23 0.00 0.00 176.35 174.32 2dmf s HIS 47 N -1.94 1.31 1.21 0.29 3.76 -1.26 -4.18 115.29 114.49 2dmf s HIS 47 Ca 0.70 -0.33 -0.20 0.00 -0.15 0.00 0.00 55.06 55.09 2dmf s HIS 47 Cb -0.21 -0.79 0.29 0.00 1.11 0.00 0.00 32.58 32.98 2dmf s HIS 47 CO 0.27 0.03 1.11 -1.25 -0.85 0.00 0.00 174.74 174.04 2dmf s PRO 48 N -0.95 -1.32 -0.17 8.40 0.04 -1.26 -4.94 135.00 134.79 2dmf s PRO 48 Ca 0.03 -0.10 0.13 0.00 0.04 0.00 0.00 61.00 61.11 2dmf s PRO 48 Cb -0.07 -1.59 0.40 0.00 0.04 0.00 0.00 34.50 33.28 2dmf s PRO 48 CO 0.01 -3.77 1.20 0.00 0.04 0.00 0.00 177.00 174.48 2dmf n ALA 49 N -4.80 3.33 -0.95 8.56 0.00 -1.26 -4.76 120.51 120.63 2dmf n ALA 49 Ca 0.14 -3.09 -0.35 0.00 0.00 0.00 0.00 53.44 50.14 2dmf n ALA 49 Cb 0.60 -0.40 0.06 0.00 0.00 0.00 0.00 19.45 19.71 2dmf n ALA 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2dmf n THR 50 N -0.97 0.00 -0.05 0.00 -1.04 -1.26 -4.82 114.28 106.14 2dmf n THR 50 Ca 0.17 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.05 61.76 2dmf n THR 50 Cb 0.73 -0.13 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 2dmf n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmf n ALA 51 N -2.80 -0.08 0.00 2.41 0.00 -1.26 -4.06 120.51 114.73 2dmf n ALA 51 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2dmf n ALA 51 Cb 0.57 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.43 2dmf n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dmf n GLU 52 N -3.25 0.62 -0.23 0.00 -0.58 -1.26 -4.76 120.64 111.18 2dmf n GLU 52 Ca 0.00 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.89 2dmf n GLU 52 Cb 0.03 -0.91 0.27 0.00 -0.57 0.00 0.00 31.44 30.26 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2dmf n ASP 53 N -2.21 0.04 -0.25 1.62 8.00 -1.26 0.40 116.55 122.88 2dmf n ASP 53 Ca 0.00 1.14 0.08 0.00 0.71 0.00 0.00 54.79 56.71 2dmf n ASP 53 Cb 0.41 -0.46 0.16 0.00 -0.02 0.00 0.00 41.12 41.20 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmf n GLN 54 N -4.76 -0.06 -0.34 -1.24 -0.00 -1.26 -0.14 117.38 109.59 2dmf n GLN 54 Ca 0.19 1.09 -0.09 0.00 -0.00 0.00 0.00 57.00 58.20 2dmf n GLN 54 Cb 0.65 -1.68 -0.08 0.00 -0.00 0.00 0.00 30.24 29.13 2dmf n GLN 54 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2dmf n ASP 55 N -5.06 -0.85 -4.61 2.61 2.03 0.16 -4.46 116.55 106.37 2dmf n ASP 55 Ca 0.14 1.44 -0.27 0.00 0.52 0.00 0.00 54.79 56.62 2dmf n ASP 55 Cb 0.46 -0.19 0.12 0.00 -0.72 0.00 0.00 41.12 40.78 2dmf n ASP 55 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dmf s SER 56 N -5.36 4.11 -0.38 1.67 1.04 0.80 -5.06 113.70 110.52 2dmf s SER 56 Ca -0.10 0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.64 2dmf s SER 56 Cb 0.09 -0.69 0.10 0.00 0.10 0.00 0.00 66.02 65.61 2dmf s SER 56 CO 0.50 -2.08 0.14 -1.58 0.98 0.00 0.00 173.24 171.20 2dmf s GLN 57 N -5.51 2.01 -0.01 4.02 0.74 -1.26 -4.92 119.66 114.72 2dmf s GLN 57 Ca 0.66 -1.72 -0.06 0.00 0.05 0.00 0.00 55.36 54.29 2dmf s GLN 57 Cb -0.08 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 2dmf s GLN 57 CO 0.48 -0.97 -0.12 0.98 -0.55 0.00 0.00 175.29 175.12 2dmf n TYR 58 N 4.55 0.00 -4.09 1.67 9.36 -1.26 -5.03 117.16 122.36 2dmf n TYR 58 Ca -0.03 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.83 2dmf n TYR 58 Cb 0.42 -0.17 -0.09 0.00 -0.63 0.00 0.00 39.34 38.87 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 -2.13 4.80 0.02 2.97 0.11 -1.26 -4.91 120.40 119.99 2dmf s VAL 59 Ca -0.10 -0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.63 2dmf s VAL 59 Cb 0.01 -3.11 0.10 0.00 -1.53 0.00 0.00 36.38 31.85 2dmf s VAL 59 CO 0.15 0.54 0.90 0.00 -3.33 0.00 0.00 175.10 173.36 2dmf s PHE 61 N -3.13 -0.55 -0.51 0.00 -0.71 -1.26 -3.34 117.98 108.48 2dmf s PHE 61 Ca 0.06 0.90 -0.26 0.00 -1.04 0.00 0.00 56.93 56.59 2dmf s PHE 61 Cb -0.01 -0.03 -0.05 0.00 -1.21 0.00 0.00 43.02 41.73 2dmf s PHE 61 CO -0.07 -0.50 2.17 0.99 -1.34 0.00 0.00 175.22 176.46 2dmf s THR 62 N 2.46 3.16 -0.63 -4.49 2.01 -0.73 -3.96 115.64 113.46 2dmf s THR 62 Ca 0.04 0.10 -0.27 0.00 0.31 0.00 0.00 61.69 61.88 2dmf s THR 62 Cb -0.13 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 68.99 2dmf s THR 62 CO -0.11 -0.36 1.58 -0.22 -0.69 0.00 0.00 174.62 174.82 2dmf s LEU 63 N 10.56 3.28 -0.05 4.42 0.20 0.13 -1.70 118.68 135.51 2dmf s LEU 63 Ca 0.86 0.11 -0.30 0.00 0.69 0.00 0.00 54.13 55.48 2dmf s LEU 63 Cb -0.17 -2.67 -0.03 0.00 -0.43 0.00 0.00 46.19 42.89 2dmf s LEU 63 CO 0.25 -2.05 1.08 -0.69 -0.29 0.00 0.00 176.35 174.65 2dmf s VAL 64 N 7.34 4.57 -0.26 1.68 1.01 -0.49 -3.15 120.40 131.10 2dmf s VAL 64 Ca 0.54 1.85 0.02 0.00 0.00 0.00 0.00 61.98 64.39 2dmf s VAL 64 Cb -0.11 -4.19 0.07 0.00 0.00 0.00 0.00 36.38 32.15 2dmf s VAL 64 CO 0.20 0.04 -0.05 -0.76 0.00 0.00 0.00 175.10 174.54 2dmf s LEU 65 N 1.78 3.01 -0.46 3.92 1.43 0.13 -2.63 118.68 125.87 2dmf s LEU 65 Ca 0.52 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 2dmf s LEU 65 Cb -0.22 -1.31 0.10 0.00 0.03 0.00 0.00 46.19 44.79 2dmf s LEU 65 CO 0.22 -0.25 0.34 -1.58 0.23 0.00 0.00 176.35 175.31 2dmf s GLN 66 N 1.28 2.69 -0.50 1.70 0.74 -1.14 0.52 119.66 124.95 2dmf s GLN 66 Ca -0.04 -1.56 -0.20 0.00 0.05 0.00 0.00 55.36 53.61 2dmf s GLN 66 Cb -0.19 -3.96 0.05 0.00 1.10 0.00 0.00 33.01 30.01 2dmf s GLN 66 CO -0.07 -1.08 0.69 0.08 -0.55 0.00 0.00 175.29 174.36 2dmf s VAL 67 N 1.47 4.77 0.70 1.34 1.01 0.11 -1.23 120.40 128.57 2dmf s VAL 67 Ca 0.04 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 2dmf s VAL 67 Cb -0.25 -4.32 0.17 0.00 0.00 0.00 0.00 36.38 31.98 2dmf s VAL 67 CO 0.02 -0.82 0.62 -0.81 0.00 0.00 0.00 175.10 174.12 2dmf n PRO 68 N 6.45 -2.24 -0.05 2.72 -0.04 -1.26 0.27 135.00 140.85 2dmf n PRO 68 Ca -0.04 -1.00 -0.14 0.00 -0.04 0.00 0.00 63.50 62.29 2dmf n PRO 68 Cb 0.46 -0.93 -0.07 0.00 -0.04 0.00 0.00 33.50 32.92 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 -2.43 0.22 -0.72 0.55 0.00 -1.43 -3.22 119.26 112.24 2dmf h ALA 69 Ca -0.23 -0.37 0.14 0.00 0.00 0.00 0.00 54.91 54.44 2dmf h ALA 69 Cb 0.72 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2dmf h ALA 69 CO 0.15 0.18 0.25 0.93 0.00 0.00 0.00 179.25 180.76 2dmf h GLU 70 N 0.02 0.36 -3.64 0.00 4.39 -1.90 -3.44 114.58 110.37 2dmf h GLU 70 Ca 0.01 -0.02 -0.39 0.00 0.34 0.00 0.00 59.36 59.30 2dmf h GLU 70 Cb 0.80 -0.08 0.08 0.00 -0.10 0.00 0.00 28.75 29.45 2dmf h GLU 70 CO 0.05 0.24 -0.45 0.98 -1.16 0.00 0.00 179.01 178.68 2dmf n TYR 71 N -5.06 -0.78 0.20 4.33 4.19 -1.22 -2.26 117.16 116.56 2dmf n TYR 71 Ca 0.13 0.49 0.06 0.00 3.31 0.00 0.00 57.90 61.89 2dmf n TYR 71 Cb 0.41 -1.14 0.40 0.00 0.49 0.00 0.00 39.34 39.51 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 0.40 0.00 -0.55 2.98 0.13 -1.87 -3.44 132.00 129.65 2dmf h PRO 72 Ca -0.20 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.17 2dmf h PRO 72 Cb 0.88 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.91 2dmf h PRO 72 CO 0.32 0.34 0.30 0.72 -0.23 0.00 0.00 178.00 179.44 2dmf n HIS 73 N -3.69 0.65 -4.49 1.56 8.25 -0.96 -3.71 115.22 112.82 2dmf n HIS 73 Ca -0.01 0.65 -0.34 0.00 -0.26 0.00 0.00 57.72 57.77 2dmf n HIS 73 Cb 0.44 -1.10 -0.14 0.00 1.12 0.00 0.00 29.99 30.32 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 -4.84 3.47 0.37 -0.41 2.56 -1.25 -4.85 118.70 113.76 2dmf s GLU 74 Ca -0.05 -0.62 -0.27 0.00 0.00 0.00 0.00 54.97 54.03 2dmf s GLU 74 Cb 0.19 -2.79 -0.09 0.00 2.00 0.00 0.00 34.13 33.44 2dmf s GLU 74 CO 0.43 0.14 1.28 0.14 -0.56 0.00 0.00 175.26 176.70 2dmf s VAL 75 N 0.57 2.74 0.47 3.70 -7.23 -1.24 -3.59 120.40 115.81 2dmf s VAL 75 Ca -0.06 0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 60.58 2dmf s VAL 75 Cb -0.15 -3.42 -0.07 0.00 0.56 0.00 0.00 36.38 33.30 2dmf s VAL 75 CO 0.03 0.13 1.16 -2.16 -0.31 0.00 0.00 175.10 173.95 2dmf s PRO 76 N -2.05 3.71 -0.60 4.82 0.04 -1.26 -4.83 135.00 134.84 2dmf s PRO 76 Ca 0.53 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 2dmf s PRO 76 Cb -0.38 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dmf s PRO 76 CO 0.49 -0.58 1.59 -1.14 0.04 0.00 0.00 177.00 177.40 2dmf s GLN 77 N -2.77 3.02 -0.09 4.56 2.00 -0.36 -4.76 119.66 121.25 2dmf s GLN 77 Ca 0.65 0.46 -0.23 0.00 -2.00 0.00 0.00 55.36 54.23 2dmf s GLN 77 Cb -0.28 -4.24 -0.03 0.00 0.80 0.00 0.00 33.01 29.26 2dmf s GLN 77 CO 0.34 -2.28 0.69 0.42 -0.50 0.00 0.00 175.29 173.95 2dmf s ILE 78 N 7.23 5.04 -0.03 -2.34 1.01 -1.26 -2.90 121.20 127.95 2dmf s ILE 78 Ca 0.57 1.39 -0.11 0.00 0.00 0.00 0.00 60.65 62.50 2dmf s ILE 78 Cb -0.12 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2dmf s ILE 78 CO 0.22 0.22 0.25 -0.44 0.00 0.00 0.00 174.94 175.20 2dmf s SER 79 N 0.86 -0.15 -0.20 3.58 0.01 -1.08 -5.00 113.70 111.71 2dmf s SER 79 Ca 0.36 0.12 -0.20 0.00 1.31 0.00 0.00 55.95 57.54 2dmf s SER 79 Cb -0.17 0.35 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2dmf s SER 79 CO 0.16 -0.34 0.58 -0.63 0.41 0.00 0.00 173.24 173.42 2dmf s ILE 80 N -0.97 5.06 0.11 1.44 -1.09 -1.26 -1.39 121.20 123.09 2dmf s ILE 80 Ca -0.10 1.08 0.09 0.00 -2.23 0.00 0.00 60.65 59.49 2dmf s ILE 80 Cb -0.05 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2dmf s ILE 80 CO 0.03 0.14 -0.21 -0.60 -1.23 0.00 0.00 174.94 173.06 2dmf s ARG 81 N 1.82 1.70 -1.34 2.79 3.52 -0.69 -4.73 118.95 122.03 2dmf s ARG 81 Ca 0.27 -1.21 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 2dmf s ARG 81 Cb -0.16 -2.06 -0.00 0.00 -1.56 0.00 0.00 34.95 31.18 2dmf s ARG 81 CO 0.10 0.48 0.52 0.09 -0.81 0.00 0.00 175.30 175.68 2dmf n ASN 82 N 0.93 -1.52 -4.64 -2.12 4.13 -1.26 -1.77 115.26 109.01 2dmf n ASN 82 Ca -0.16 -1.01 -0.43 0.00 1.68 0.00 0.00 54.58 54.66 2dmf n ASN 82 Cb 0.53 -3.14 -0.03 0.00 -1.54 0.00 0.00 39.78 35.60 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmf s PRO 83 N -6.42 4.00 -0.10 3.52 0.04 -1.26 -4.42 135.00 130.35 2dmf s PRO 83 Ca 0.12 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2dmf s PRO 83 Cb -0.04 -3.97 0.01 0.00 0.04 0.00 0.00 34.50 30.54 2dmf s PRO 83 CO 0.88 -1.05 -0.16 0.50 0.04 0.00 0.00 177.00 177.22 2dmf s ARG 84 N 4.26 2.23 0.00 4.56 3.00 -1.21 -4.78 118.95 127.01 2dmf s ARG 84 Ca 0.69 -0.57 0.00 0.00 -1.00 0.00 0.00 55.73 54.85 2dmf s ARG 84 Cb -0.27 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 32.82 2dmf s ARG 84 CO 0.27 -0.03 0.00 0.41 0.00 0.00 0.00 175.30 175.95 2dmf n GLY 85 N 4.09 2.05 3.59 8.12 0.00 -1.26 -3.95 105.19 117.83 2dmf n GLY 85 Ca -0.20 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 0.73 0.12 0.99 1.43 -1.26 -3.72 118.68 116.97 2dmf s LEU 86 Ca 0.00 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.82 2dmf s LEU 86 Cb 0.00 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2dmf s LEU 86 CO 0.00 -4.05 0.03 -0.44 0.23 0.00 0.00 176.35 172.12 2dmf s SER 87 N -3.78 0.45 0.26 2.29 0.01 -1.26 -4.96 113.70 106.72 2dmf s SER 87 Ca 0.70 -1.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.70 2dmf s SER 87 Cb -0.11 0.25 0.39 0.00 0.21 0.00 0.00 66.02 66.76 2dmf s SER 87 CO 0.56 -0.68 1.56 0.44 0.41 0.00 0.00 173.24 175.54 2dmf h ASP 88 N 2.91 -1.02 -0.09 2.44 3.32 -1.99 0.15 116.42 122.15 2dmf h ASP 88 Ca -0.35 0.29 0.04 0.00 0.02 0.00 0.00 57.03 57.03 2dmf h ASP 88 Cb 1.19 0.63 -0.06 0.00 0.22 0.00 0.00 39.33 41.31 2dmf h ASP 88 CO 0.61 -0.31 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.36 2dmf h GLU 89 N -0.00 -0.47 0.46 3.56 4.81 -1.99 0.74 114.58 121.69 2dmf h GLU 89 Ca 0.43 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 2dmf h GLU 89 Cb 0.68 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2dmf h GLU 89 CO -0.99 -0.31 -0.48 1.96 -0.73 0.00 0.00 179.01 178.47 2dmf h GLN 90 N -0.48 -0.91 -0.68 1.92 7.50 -1.19 -2.54 115.11 118.72 2dmf h GLN 90 Ca 0.07 0.06 0.14 0.00 0.50 0.00 0.00 58.65 59.42 2dmf h GLN 90 Cb 0.61 0.21 -0.13 0.00 0.05 0.00 0.00 27.48 28.22 2dmf h GLN 90 CO -0.36 -0.61 -0.17 0.82 -1.50 0.00 0.00 178.83 177.01 2dmf h ILE 91 N -0.95 0.32 -0.52 2.54 2.04 -0.84 0.89 117.51 120.99 2dmf h ILE 91 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2dmf h ILE 91 Cb 0.83 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 2dmf h ILE 91 CO -0.07 0.00 -0.20 -0.74 0.00 0.00 0.00 178.15 177.13 2dmf h HIS 92 N -0.00 -0.50 0.00 1.37 2.76 -0.52 0.26 115.15 118.51 2dmf h HIS 92 Ca 0.32 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.55 2dmf h HIS 92 Cb 0.50 0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2dmf h HIS 92 CO -0.55 -0.29 -0.00 1.15 -1.30 0.00 0.00 177.93 176.93 2dmf h THR 93 N -0.08 1.18 -0.80 6.26 2.02 -0.65 -2.33 112.91 118.52 2dmf h THR 93 Ca 0.24 -0.53 0.18 0.00 0.77 0.00 0.00 66.41 67.08 2dmf h THR 93 Cb 0.46 1.53 -0.11 0.00 -1.74 0.00 0.00 68.15 68.29 2dmf h THR 93 CO -0.58 0.14 0.27 0.40 0.37 0.00 0.00 175.52 176.11 2dmf h ILE 94 N -0.23 0.52 0.82 3.11 2.04 -0.12 -1.81 117.51 121.85 2dmf h ILE 94 Ca -0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2dmf h ILE 94 Cb 0.23 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 2dmf h ILE 94 CO 0.00 0.06 -0.39 -0.07 0.00 0.00 0.00 178.15 177.75 2dmf h LEU 95 N 0.34 -0.93 -1.00 1.44 3.38 -0.85 -1.93 115.31 115.77 2dmf h LEU 95 Ca 0.46 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.62 2dmf h LEU 95 Cb 0.81 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 2dmf h LEU 95 CO -0.50 -0.57 -0.40 1.56 0.09 0.00 0.00 178.44 178.61 2dmf h GLN 96 N -1.28 -0.00 0.31 1.13 1.08 -0.90 0.21 115.11 115.67 2dmf h GLN 96 Ca -0.11 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 2dmf h GLN 96 Cb 0.84 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2dmf h GLN 96 CO 0.18 -0.00 -0.20 0.28 -0.95 0.00 0.00 178.83 178.14 2dmf h VAL 97 N -0.00 0.00 -1.13 -0.54 2.07 -1.35 -1.25 116.25 114.05 2dmf h VAL 97 Ca 0.34 0.00 0.39 0.00 0.82 0.00 0.00 66.70 68.25 2dmf h VAL 97 Cb 0.59 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.21 2dmf h VAL 97 CO -0.99 0.00 0.68 -0.07 0.02 0.00 0.00 177.57 177.21 2dmf h LEU 98 N -0.48 0.35 -0.24 2.57 3.38 -0.50 0.45 115.31 120.83 2dmf h LEU 98 Ca -0.04 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2dmf h LEU 98 Cb 0.39 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dmf h LEU 98 CO 0.04 -0.23 -0.05 1.23 0.09 0.00 0.00 178.44 179.52 2dmf h GLY 99 N 0.14 0.50 0.50 0.83 0.00 -0.25 -3.12 103.07 101.68 2dmf h GLY 99 Ca 0.80 -0.41 0.09 0.00 0.00 0.00 0.00 47.33 47.81 2dmf h GLY 99 CO -0.57 0.37 0.39 0.84 0.00 0.00 0.00 176.54 177.57 2dmf h HIS 100 N 0.21 0.70 -0.82 5.60 -0.00 0.11 -0.72 115.15 120.23 2dmf h HIS 100 Ca 0.06 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.57 2dmf h HIS 100 Cb 0.50 -0.20 -0.06 0.00 -0.00 0.00 0.00 27.41 27.65 2dmf h HIS 100 CO 0.05 0.27 0.53 0.28 -0.00 0.00 0.00 177.93 179.06 2dmf h VAL 101 N 0.66 0.91 0.66 5.26 2.07 -1.36 0.02 116.25 124.48 2dmf h VAL 101 Ca 0.36 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2dmf h VAL 101 Cb 0.35 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2dmf h VAL 101 CO -0.25 0.13 -0.32 0.00 0.02 0.00 0.00 177.57 177.15 2dmf h ALA 102 N 1.60 -0.93 -0.94 1.67 0.00 -1.10 0.57 119.26 120.14 2dmf h ALA 102 Ca 0.39 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.26 2dmf h ALA 102 Cb 0.53 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2dmf h ALA 102 CO -0.15 -0.86 0.60 0.87 0.00 0.00 0.00 179.25 179.70 2dmf h LYS 103 N -1.18 0.72 0.00 0.00 1.57 -1.23 0.26 116.57 116.71 2dmf h LYS 103 Ca -0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2dmf h LYS 103 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2dmf h LYS 103 CO 0.15 0.47 -0.28 0.00 -0.57 0.00 0.00 179.45 179.22 2dmf h ALA 104 N 1.60 0.92 -0.98 3.86 0.00 -0.97 -3.23 119.26 120.46 2dmf h ALA 104 Ca 0.48 -0.26 -0.63 0.00 0.00 0.00 0.00 54.91 54.51 2dmf h ALA 104 Cb 0.75 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.14 2dmf h ALA 104 CO -0.25 0.35 -0.00 0.41 0.00 0.00 0.00 179.25 179.76 2dmf n GLY 105 N 0.54 6.06 3.81 0.00 0.00 0.86 -5.03 105.19 111.43 2dmf n GLY 105 Ca 0.01 -2.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.73 3.79 0.00 0.99 1.43 -0.87 -3.66 118.68 116.63 2dmf s LEU 106 Ca 0.55 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2dmf s LEU 106 Cb 0.45 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 42.12 2dmf s LEU 106 CO -0.07 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.44 2dmf n GLY 107 N -0.67 1.81 3.88 -3.19 0.00 -1.26 -4.95 105.19 100.81 2dmf n GLY 107 Ca 0.08 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 2dmf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmf s THR 108 N -0.33 2.47 -0.11 2.61 -4.23 -1.24 -4.80 115.64 110.01 2dmf s THR 108 Ca 0.00 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 58.86 2dmf s THR 108 Cb 0.00 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 2dmf s THR 108 CO 0.00 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.85 2dmf s ALA 109 N -2.53 3.39 -0.13 3.99 0.00 -1.26 -4.84 121.76 120.38 2dmf s ALA 109 Ca 0.47 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.33 2dmf s ALA 109 Cb -0.03 -3.84 -0.12 0.00 0.00 0.00 0.00 23.12 19.13 2dmf s ALA 109 CO 0.27 -1.77 -0.04 0.00 0.00 0.00 0.00 175.76 174.22 2dmf n MET 110 N 7.57 1.32 -0.13 0.00 3.85 -1.26 -4.66 117.12 123.82 2dmf n MET 110 Ca 0.20 0.04 -0.03 0.00 -1.00 0.00 0.00 57.70 56.90 2dmf n MET 110 Cb 0.43 -1.30 -0.03 0.00 -1.05 0.00 0.00 33.22 31.27 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 -2.66 -0.33 -0.26 3.17 4.77 -1.26 0.14 117.00 120.58 2dmf n LEU 111 Ca -0.22 0.87 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 2dmf n LEU 111 Cb 0.84 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.85 2dmf n LEU 111 CO 0.20 -0.61 0.82 0.22 -1.33 0.00 0.00 177.39 176.70 2dmf h TYR 112 N 0.00 -0.06 0.71 -1.77 3.20 -1.99 -2.00 116.97 115.07 2dmf h TYR 112 Ca 0.05 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2dmf h TYR 112 Cb 0.13 0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.55 2dmf h TYR 112 CO -0.62 -0.24 -0.34 0.93 -1.64 0.00 0.00 178.16 176.25 2dmf h GLU 113 N 0.10 -0.92 -0.82 1.82 5.08 0.92 -2.76 114.58 117.99 2dmf h GLU 113 Ca 0.41 0.06 0.28 0.00 -1.00 0.00 0.00 59.36 59.11 2dmf h GLU 113 Cb 0.71 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 30.02 2dmf h GLU 113 CO -0.66 -0.62 0.20 1.28 -1.00 0.00 0.00 179.01 178.21 2dmf n LEU 114 N -4.76 0.07 0.40 1.33 4.77 0.97 0.30 117.00 120.08 2dmf n LEU 114 Ca -0.12 1.38 -0.18 0.00 -0.03 0.00 0.00 56.01 57.06 2dmf n LEU 114 Cb 0.38 -0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2dmf n LEU 114 CO 0.29 -1.46 0.58 0.40 -1.33 0.00 0.00 177.39 175.86 2dmf h ILE 115 N 0.00 0.23 -0.50 -0.08 2.04 -1.22 -3.00 117.51 114.98 2dmf h ILE 115 Ca 0.58 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 66.41 2dmf h ILE 115 Cb 1.38 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 2dmf h ILE 115 CO -0.71 0.01 -0.44 -0.33 0.00 0.00 0.00 178.15 176.68 2dmf h GLU 116 N -1.07 -0.18 -0.78 2.37 4.39 0.13 -1.83 114.58 117.62 2dmf h GLU 116 Ca -0.10 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.68 2dmf h GLU 116 Cb 0.78 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.38 2dmf h GLU 116 CO 0.17 -0.12 -0.46 1.17 -1.16 0.00 0.00 179.01 178.61 2dmf n LYS 117 N -4.75 -0.34 -0.33 2.33 3.00 -0.91 0.12 118.16 117.27 2dmf n LYS 117 Ca -0.01 1.35 0.15 0.00 -0.00 0.00 0.00 58.31 59.80 2dmf n LYS 117 Cb 0.24 -1.99 0.29 0.00 0.00 0.00 0.00 35.03 33.57 2dmf n LYS 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dmf n GLY 118 N -1.19 -1.31 0.16 3.14 0.00 -0.71 0.39 105.19 105.67 2dmf n GLY 118 Ca 0.02 0.95 -0.06 0.00 0.00 0.00 0.00 46.02 46.92 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 -0.02 0.70 1.61 1.57 -0.10 -2.20 116.57 118.13 2dmf h LYS 119 Ca 0.59 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.34 2dmf h LYS 119 Cb 1.22 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.54 2dmf h LYS 119 CO -0.91 -0.01 -0.34 0.93 -0.57 0.00 0.00 179.45 178.55 2dmf h GLU 120 N -0.02 -0.91 -0.94 3.15 4.39 0.10 -2.68 114.58 117.67 2dmf h GLU 120 Ca 0.16 0.06 0.08 0.00 0.34 0.00 0.00 59.36 60.01 2dmf h GLU 120 Cb 0.27 0.21 -0.11 0.00 -0.10 0.00 0.00 28.75 29.02 2dmf h GLU 120 CO -0.36 -0.60 -0.55 -0.89 -1.16 0.00 0.00 179.01 175.45 2dmf n ILE 121 N -5.49 -0.64 -0.09 3.13 5.41 -0.66 -0.73 119.36 120.30 2dmf n ILE 121 Ca -0.14 2.34 -0.09 0.00 1.00 0.00 0.00 62.75 65.87 2dmf n ILE 121 Cb 0.38 -2.90 -0.03 0.00 -0.71 0.00 0.00 39.64 36.38 2dmf n ILE 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dmf h LEU 122 N 0.00 -1.11 -0.83 1.39 6.46 -1.38 -1.62 115.31 118.22 2dmf h LEU 122 Ca 0.15 0.18 0.13 0.00 -0.12 0.00 0.00 57.88 58.23 2dmf h LEU 122 Cb 0.39 0.50 -0.14 0.00 -0.73 0.00 0.00 40.66 40.68 2dmf h LEU 122 CO -0.88 -0.34 -0.32 0.41 -0.62 0.00 0.00 178.44 176.69 2dmf n THR 123 N -5.41 -0.43 -0.15 1.05 -1.04 0.10 0.17 114.28 108.56 2dmf n THR 123 Ca -0.00 1.95 -0.06 0.00 -2.04 0.00 0.00 64.05 63.90 2dmf n THR 123 Cb 0.34 -2.59 0.12 0.00 -1.82 0.00 0.00 70.33 66.38 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 0.86 -3.23 8.00 3.58 -1.03 -3.33 116.42 121.27 2dmf h ASP 124 Ca 0.30 -0.21 -0.66 0.00 0.42 0.00 0.00 57.03 56.88 2dmf h ASP 124 Cb 0.51 -0.23 -0.39 0.00 1.72 0.00 0.00 39.33 40.94 2dmf h ASP 124 CO -0.83 0.91 -0.37 0.20 -2.88 0.00 0.00 179.24 176.26 2dmf s ASN 125 N -6.60 5.31 -0.10 2.28 0.01 0.46 -4.80 114.94 111.49 2dmf s ASN 125 Ca -0.10 -3.79 -0.01 0.00 -0.71 0.00 0.00 52.86 48.25 2dmf s ASN 125 Cb 0.14 -1.75 -0.06 0.00 0.41 0.00 0.00 41.25 39.99 2dmf s ASN 125 CO 0.82 -0.13 -0.10 -3.20 -1.51 0.00 0.00 177.10 172.99 2dmf n ASN 126 N 2.14 2.56 -4.60 -1.22 2.85 -0.66 -4.58 115.26 111.76 2dmf n ASN 126 Ca 0.20 -0.00 -0.52 0.00 -0.11 0.00 0.00 54.58 54.15 2dmf n ASN 126 Cb 0.36 -0.20 -0.06 0.00 1.24 0.00 0.00 39.78 41.12 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 -2.97 0.01 -1.13 -1.44 -0.00 -1.26 -4.93 119.36 107.63 2dmf n ILE 127 Ca -0.18 -0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.28 2dmf n ILE 127 Cb 0.67 -0.86 0.20 0.00 -0.00 0.00 0.00 39.64 39.66 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 0.58 -0.14 -0.12 0.38 0.04 -1.26 -4.94 135.00 129.54 2dmf s PRO 128 Ca 0.85 0.32 -0.09 0.00 0.04 0.00 0.00 61.00 62.12 2dmf s PRO 128 Cb -0.95 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 31.94 2dmf s PRO 128 CO 0.47 -3.07 0.30 -1.58 0.04 0.00 0.00 177.00 173.15 2dmf s HIS 129 N -2.98 -0.36 0.34 0.56 2.46 -1.24 -5.09 115.29 108.98 2dmf s HIS 129 Ca 0.67 0.86 0.06 0.00 0.47 0.00 0.00 55.06 57.12 2dmf s HIS 129 Cb -0.16 0.11 -0.07 0.00 -0.13 0.00 0.00 32.58 32.34 2dmf s HIS 129 CO 0.57 -0.20 -0.02 0.20 -2.47 0.00 0.00 174.74 172.82 2dmf s GLY 130 N 0.65 2.15 -0.15 1.59 0.00 -1.26 -4.98 107.32 105.33 2dmf s GLY 130 Ca -0.04 -2.09 -0.30 0.00 0.00 0.00 0.00 44.72 42.29 2dmf s GLY 130 CO -0.04 -1.94 0.98 -0.86 0.00 0.00 0.00 173.10 171.23 2dmf s GLN 131 N -3.74 0.62 0.20 2.90 -2.07 -1.26 -5.19 119.66 111.13 2dmf s GLN 131 Ca 0.33 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.01 2dmf s GLN 131 Cb 0.07 0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 2dmf s GLN 131 CO 0.15 -0.20 0.08 -1.54 -1.32 0.00 0.00 175.29 172.46 2dmf s SER 132 N -1.17 0.76 0.09 12.60 1.04 -1.26 -5.17 113.70 120.60 2dmf s SER 132 Ca -0.02 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.16 2dmf s SER 132 Cb -0.00 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2dmf s SER 132 CO 0.02 -0.72 -0.05 -0.83 0.98 0.00 0.00 173.24 172.64 2dmf s GLY 133 N -3.20 1.86 0.01 7.32 0.00 -1.26 -5.05 107.32 107.01 2dmf s GLY 133 Ca 0.33 -1.17 -0.23 0.00 0.00 0.00 0.00 44.72 43.65 2dmf s GLY 133 CO 0.09 -1.14 1.31 -0.56 0.00 0.00 0.00 173.10 172.80 2dmf h PRO 134 N 3.55 0.19 -3.80 2.90 0.13 -2.10 -3.40 132.00 129.47 2dmf h PRO 134 Ca -0.48 -0.10 -0.63 0.00 -0.87 0.00 0.00 66.00 63.92 2dmf h PRO 134 Cb 1.17 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 2dmf h PRO 134 CO 0.56 0.62 -0.70 -1.12 -0.23 0.00 0.00 178.00 177.13 2dmf s SER 135 N -5.92 4.30 -0.14 1.44 0.01 -1.26 -5.09 113.70 107.04 2dmf s SER 135 Ca -0.15 -2.39 -0.21 0.00 1.31 0.00 0.00 55.95 54.50 2dmf s SER 135 Cb 0.03 -1.38 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 2dmf s SER 135 CO 0.72 -0.32 0.64 -0.55 0.41 0.00 0.00 173.24 174.13 2dmf s SER 136 N 0.59 6.80 0.00 2.44 0.15 -1.26 -5.29 113.70 117.12 2dmf s SER 136 Ca 0.14 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.75 2dmf s SER 136 Cb -0.22 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2dmf s SER 136 CO -0.07 -0.18 0.30 0.61 1.20 0.00 0.00 173.24 175.10