#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 6.74 -0.09 1.61 0.01 -1.26 -5.08 113.70 115.63 2dmf s SER 2 Ca 0.00 0.88 0.02 0.00 1.31 0.00 0.00 55.95 58.16 2dmf s SER 2 Cb 0.00 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 64.01 2dmf s SER 2 CO 0.00 0.28 -0.12 -0.44 0.41 0.00 0.00 173.24 173.37 2dmf s SER 3 N -0.78 2.07 0.18 2.44 0.01 -1.26 -5.14 113.70 111.21 2dmf s SER 3 Ca 0.23 -0.34 0.11 0.00 1.31 0.00 0.00 55.95 57.26 2dmf s SER 3 Cb -0.16 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.11 2dmf s SER 3 CO 0.12 0.00 -0.24 -0.83 0.41 0.00 0.00 173.24 172.70 2dmf s GLY 4 N 0.95 1.65 0.17 3.44 0.00 -1.26 -4.82 107.32 107.44 2dmf s GLY 4 Ca -0.09 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 42.84 2dmf s GLY 4 CO -0.00 -1.61 0.55 -0.45 0.00 0.00 0.00 173.10 171.59 2dmf s SER 5 N -2.54 -0.42 0.53 1.64 0.15 -1.26 -5.15 113.70 106.65 2dmf s SER 5 Ca 0.19 -0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 2dmf s SER 5 Cb -0.08 0.58 -0.13 0.00 -1.71 0.00 0.00 66.02 64.68 2dmf s SER 5 CO 0.09 -0.98 -0.25 -0.24 1.20 0.00 0.00 173.24 173.05 2dmf n SER 6 N -0.34 -3.58 0.00 5.45 2.88 -1.26 -4.98 113.62 111.78 2dmf n SER 6 Ca -0.15 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2dmf n SER 6 Cb 0.64 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 2dmf n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmf n GLY 7 N 2.31 1.35 3.47 0.46 0.00 -1.26 -5.11 105.19 106.42 2dmf n GLY 7 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 0.63 1.75 0.07 1.61 0.41 -1.26 -5.06 118.70 116.84 2dmf s GLU 8 Ca 0.00 -2.01 -0.24 0.00 -0.41 0.00 0.00 54.97 52.31 2dmf s GLU 8 Cb 0.00 -0.74 -0.16 0.00 -1.78 0.00 0.00 34.13 31.45 2dmf s GLU 8 CO 0.00 -0.31 1.65 0.93 -0.49 0.00 0.00 175.26 177.04 2dmf h GLU 9 N 2.00 -0.04 -4.26 1.61 3.07 -2.05 -3.46 114.58 111.43 2dmf h GLU 9 Ca -0.39 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.21 2dmf h GLU 9 Cb 1.26 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 29.08 2dmf h GLU 9 CO 0.64 0.06 -0.30 0.16 -1.40 0.00 0.00 179.01 178.16 2dmf s ASP 10 N -5.24 0.76 -0.30 1.42 1.47 -1.26 -5.17 116.67 108.36 2dmf s ASP 10 Ca -0.14 -1.43 -0.12 0.00 1.18 0.00 0.00 52.55 52.04 2dmf s ASP 10 Cb 0.05 0.59 0.16 0.00 -0.34 0.00 0.00 42.92 43.38 2dmf s ASP 10 CO 0.66 -1.16 0.89 0.86 0.68 0.00 0.00 175.17 177.10 2dmf s TRP 11 N -3.46 -0.89 -0.03 2.11 -0.00 -1.26 -5.03 118.94 110.37 2dmf s TRP 11 Ca 0.32 1.41 0.12 0.00 -0.00 0.00 0.00 56.10 57.96 2dmf s TRP 11 Cb 0.01 0.49 -0.09 0.00 -0.00 0.00 0.00 33.47 33.88 2dmf s TRP 11 CO 0.18 -0.45 1.26 -0.39 -0.00 0.00 0.00 176.95 177.55 2dmf h VAL 12 N 5.64 1.17 -0.68 5.86 -1.51 -1.99 -3.32 116.25 121.42 2dmf h VAL 12 Ca -0.17 -2.72 0.13 0.00 -1.23 0.00 0.00 66.70 62.72 2dmf h VAL 12 Cb 1.12 2.56 -0.13 0.00 -2.13 0.00 0.00 31.29 32.71 2dmf h VAL 12 CO 0.08 0.67 -0.22 0.25 -1.23 0.00 0.00 177.57 177.12 2dmf h LEU 13 N 0.00 -0.80 -0.52 4.19 7.12 -1.96 0.16 115.31 123.50 2dmf h LEU 13 Ca -0.04 0.22 -0.15 0.00 0.13 0.00 0.00 57.88 58.04 2dmf h LEU 13 Cb 1.60 0.48 -0.01 0.00 -0.53 0.00 0.00 40.66 42.20 2dmf h LEU 13 CO 0.09 -0.25 -0.41 1.55 -0.13 0.00 0.00 178.44 179.29 2dmf h PRO 14 N -0.05 0.75 0.36 5.25 0.13 -2.01 -2.91 132.00 133.52 2dmf h PRO 14 Ca 0.31 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 2dmf h PRO 14 Cb 0.53 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2dmf h PRO 14 CO -0.72 1.02 -0.17 0.77 -0.23 0.00 0.00 178.00 178.67 2dmf h SER 15 N 0.61 -0.40 -0.95 1.44 0.02 -1.17 -2.68 113.55 110.42 2dmf h SER 15 Ca 0.05 -0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.09 2dmf h SER 15 Cb 0.96 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.53 2dmf h SER 15 CO 0.09 -0.26 0.61 -0.33 -1.14 0.00 0.00 176.83 175.80 2dmf h GLU 16 N -0.51 0.96 -0.19 3.45 4.39 -0.82 -2.24 114.58 119.61 2dmf h GLU 16 Ca -0.05 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.64 2dmf h GLU 16 Cb 0.39 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 2dmf h GLU 16 CO 0.08 0.63 -0.10 0.28 -1.16 0.00 0.00 179.01 178.74 2dmf h VAL 17 N 0.98 0.68 -0.91 3.13 2.07 -1.28 -1.14 116.25 119.78 2dmf h VAL 17 Ca 0.44 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.22 2dmf h VAL 17 Cb 0.38 0.68 -0.16 0.00 -1.52 0.00 0.00 31.29 30.67 2dmf h VAL 17 CO -0.20 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.25 2dmf h GLU 18 N -0.09 0.12 0.02 1.57 4.39 -1.08 0.17 114.58 119.68 2dmf h GLU 18 Ca 0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 2dmf h GLU 18 Cb 0.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2dmf h GLU 18 CO -0.25 0.08 -0.01 0.28 -1.16 0.00 0.00 179.01 177.95 2dmf h VAL 19 N 0.13 1.37 -0.21 3.13 2.07 -1.40 -3.26 116.25 118.08 2dmf h VAL 19 Ca 0.58 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.89 2dmf h VAL 19 Cb 1.23 2.21 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 2dmf h VAL 19 CO -0.74 0.32 -0.35 -0.07 0.02 0.00 0.00 177.57 176.75 2dmf h LEU 20 N -0.59 -1.10 -1.79 2.57 3.38 0.20 0.12 115.31 118.09 2dmf h LEU 20 Ca -0.00 0.17 0.40 0.00 0.09 0.00 0.00 57.88 58.53 2dmf h LEU 20 Cb 0.55 0.48 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2dmf h LEU 20 CO 0.01 -0.36 0.95 -0.33 0.09 0.00 0.00 178.44 178.79 2dmf h GLU 21 N -0.38 0.08 -0.14 1.13 5.08 -0.86 1.17 114.58 120.66 2dmf h GLU 21 Ca 0.11 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 2dmf h GLU 21 Cb 0.56 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dmf h GLU 21 CO -0.42 0.05 -0.65 1.03 -1.00 0.00 0.00 179.01 178.02 2dmf h SER 22 N 0.08 0.63 0.00 1.42 0.87 -0.80 -1.18 113.55 114.57 2dmf h SER 22 Ca 0.70 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 2dmf h SER 22 Cb 2.53 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 64.30 2dmf h SER 22 CO -0.13 1.12 -0.43 0.40 -0.53 0.00 0.00 176.83 177.26 2dmf h ILE 23 N 0.40 0.06 -1.27 2.23 2.04 0.14 -3.39 117.51 117.71 2dmf h ILE 23 Ca -0.02 -1.06 -0.65 0.00 1.00 0.00 0.00 64.86 64.13 2dmf h ILE 23 Cb 1.22 0.13 -0.25 0.00 -0.74 0.00 0.00 36.82 37.18 2dmf h ILE 23 CO 0.12 0.02 0.84 -1.22 0.00 0.00 0.00 178.15 177.91 2dmf n TYR 24 N -4.64 2.79 -0.31 1.37 4.01 0.26 -4.74 117.16 115.89 2dmf n TYR 24 Ca -0.07 -2.57 0.10 0.00 -0.16 0.00 0.00 57.90 55.20 2dmf n TYR 24 Cb 0.23 -1.30 0.22 0.00 -0.31 0.00 0.00 39.34 38.17 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 2.58 -0.51 0.00 7.72 -0.00 -1.30 -1.97 115.31 121.83 2dmf h LEU 25 Ca 0.54 0.25 -0.16 0.00 -0.00 0.00 0.00 57.88 58.51 2dmf h LEU 25 Cb 0.55 0.46 -0.02 0.00 -0.00 0.00 0.00 40.66 41.65 2dmf h LEU 25 CO 1.38 -0.29 -1.38 -0.67 -0.00 0.00 0.00 178.44 177.47 2dmf n ASP 26 N -5.46 1.54 -0.29 0.17 2.03 -1.26 -4.55 116.55 108.72 2dmf n ASP 26 Ca 0.18 0.26 0.26 0.00 0.52 0.00 0.00 54.79 56.01 2dmf n ASP 26 Cb 0.61 -0.60 0.44 0.00 -0.72 0.00 0.00 41.12 40.85 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 -4.03 -0.03 -4.48 -0.67 1.02 -1.23 -4.12 120.64 107.10 2dmf n GLU 27 Ca -0.24 0.87 -0.24 0.00 -0.02 0.00 0.00 57.16 57.53 2dmf n GLU 27 Cb 0.57 -1.67 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 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 -8.30 2.20 0.06 -4.62 0.20 -0.74 -2.93 118.68 104.55 2dmf s LEU 28 Ca -0.05 -0.54 0.04 0.00 0.69 0.00 0.00 54.13 54.27 2dmf s LEU 28 Cb 0.21 -0.85 -0.04 0.00 -0.43 0.00 0.00 46.19 45.09 2dmf s LEU 28 CO 0.55 0.10 -0.01 -1.58 -0.29 0.00 0.00 176.35 175.11 2dmf s GLN 29 N -1.33 2.57 -0.07 1.98 2.00 0.12 -4.60 119.66 120.33 2dmf s GLN 29 Ca 0.05 -0.79 0.02 0.00 -2.00 0.00 0.00 55.36 52.65 2dmf s GLN 29 Cb -0.09 -2.55 0.01 0.00 0.80 0.00 0.00 33.01 31.19 2dmf s GLN 29 CO 0.02 0.56 -0.13 0.08 -0.50 0.00 0.00 175.29 175.32 2dmf s VAL 30 N -1.23 1.22 -0.14 1.34 1.01 -1.26 -1.38 120.40 119.96 2dmf s VAL 30 Ca 0.23 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 2dmf s VAL 30 Cb -0.12 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.17 2dmf s VAL 30 CO 0.15 0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 2dmf s ILE 31 N 0.73 1.27 0.72 2.22 -1.09 0.15 -5.01 121.20 120.19 2dmf s ILE 31 Ca -0.13 -0.50 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 2dmf s ILE 31 Cb -0.16 -1.27 0.02 0.00 -1.58 0.00 0.00 42.46 39.48 2dmf s ILE 31 CO 0.03 0.36 1.08 -0.54 -1.23 0.00 0.00 174.94 174.63 2dmf s LYS 32 N 1.60 2.67 0.30 2.79 1.02 -1.26 -1.36 119.74 125.49 2dmf s LYS 32 Ca 0.04 1.10 0.07 0.00 0.02 0.00 0.00 55.97 57.21 2dmf s LYS 32 Cb -0.13 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 2dmf s LYS 32 CO -0.09 -1.32 -0.07 0.20 -0.92 0.00 0.00 175.35 173.15 2dmf s GLY 33 N -3.44 1.93 0.07 -3.33 0.00 -1.25 -4.79 107.32 96.51 2dmf s GLY 33 Ca 0.61 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2dmf s GLY 33 CO 0.53 -1.89 -0.04 0.21 0.00 0.00 0.00 173.10 171.91 2dmf s ASN 34 N -3.49 0.74 0.00 1.64 3.84 -1.26 -4.81 114.94 111.60 2dmf s ASN 34 Ca 0.30 -0.98 0.00 0.00 0.21 0.00 0.00 52.86 52.39 2dmf s ASN 34 Cb 0.03 0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 2dmf s ASN 34 CO 0.13 -0.53 0.00 0.61 -2.79 0.00 0.00 177.10 174.52 2dmf n GLY 35 N 0.12 -1.51 0.07 1.21 0.00 -1.26 -3.67 105.19 100.15 2dmf n GLY 35 Ca -0.14 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.79 2dmf n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dmf h ARG 36 N 0.58 -0.18 -0.06 1.61 2.47 -1.99 -3.18 114.38 113.64 2dmf h ARG 36 Ca 0.00 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 2dmf h ARG 36 Cb 0.00 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 2dmf h ARG 36 CO 0.00 -0.12 -0.28 0.00 0.56 0.00 0.00 179.97 180.13 2dmf h THR 37 N -0.18 1.23 -6.73 2.04 1.03 -2.01 -3.47 112.91 104.83 2dmf h THR 37 Ca -0.02 -1.08 -0.38 0.00 -0.01 0.00 0.00 66.41 64.91 2dmf h THR 37 Cb 0.14 1.51 -0.07 0.00 -1.07 0.00 0.00 68.15 68.65 2dmf h THR 37 CO 0.03 0.32 -0.62 -1.54 -0.01 0.00 0.00 175.52 173.70 2dmf n SER 38 N -4.17 -0.96 -4.77 0.00 3.41 -1.20 -3.61 113.62 102.32 2dmf n SER 38 Ca -0.02 -0.81 -0.40 0.00 -0.26 0.00 0.00 58.87 57.38 2dmf n SER 38 Cb 0.36 -0.99 -0.03 0.00 -0.26 0.00 0.00 64.21 63.29 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 -6.16 4.43 -0.15 4.33 0.04 -1.26 -4.45 135.00 131.78 2dmf s PRO 39 Ca 0.15 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.13 2dmf s PRO 39 Cb -0.09 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2dmf s PRO 39 CO 0.62 -0.06 0.20 -1.58 0.04 0.00 0.00 177.00 176.23 2dmf s TRP 40 N -1.17 3.50 -0.14 0.56 0.52 -0.04 -3.75 118.94 118.42 2dmf s TRP 40 Ca 0.48 0.52 -0.05 0.00 0.02 0.00 0.00 56.10 57.07 2dmf s TRP 40 Cb -0.36 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 2dmf s TRP 40 CO 0.48 0.42 0.01 -2.00 0.02 0.00 0.00 176.95 175.89 2dmf s GLU 41 N -0.10 3.58 0.00 4.98 2.12 -0.46 -1.03 118.70 127.79 2dmf s GLU 41 Ca 0.14 -0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.07 2dmf s GLU 41 Cb -0.12 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 2dmf s GLU 41 CO 0.03 0.40 -0.06 0.42 -0.54 0.00 0.00 175.26 175.51 2dmf s ILE 42 N -0.03 0.43 0.26 -3.70 1.01 -0.56 0.29 121.20 118.89 2dmf s ILE 42 Ca 0.04 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.41 2dmf s ILE 42 Cb -0.13 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.91 2dmf s ILE 42 CO 0.02 0.05 -0.05 -0.31 0.00 0.00 0.00 174.94 174.65 2dmf s TYR 43 N -0.29 1.81 -0.17 3.97 2.02 -0.48 -0.83 117.35 123.38 2dmf s TYR 43 Ca 0.00 -0.75 -0.31 0.00 -0.37 0.00 0.00 57.07 55.64 2dmf s TYR 43 Cb -0.03 -1.03 0.14 0.00 -0.40 0.00 0.00 41.96 40.64 2dmf s TYR 43 CO -0.00 0.19 1.10 -1.50 -1.57 0.00 0.00 175.55 173.77 2dmf s ILE 44 N -3.13 0.00 -0.32 2.71 2.07 -1.01 0.12 121.20 121.64 2dmf s ILE 44 Ca 0.28 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.50 2dmf s ILE 44 Cb 0.04 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.69 2dmf s ILE 44 CO 0.10 0.00 0.04 -0.89 -1.91 0.00 0.00 174.94 172.28 2dmf s THR 45 N -1.75 3.10 -0.21 4.00 2.01 -1.15 -0.78 115.64 120.85 2dmf s THR 45 Ca 0.04 -1.46 -0.13 0.00 0.31 0.00 0.00 61.69 60.45 2dmf s THR 45 Cb -0.01 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2dmf s THR 45 CO -0.03 -0.20 0.28 -0.76 -0.69 0.00 0.00 174.62 173.22 2dmf s LEU 46 N 1.25 4.15 0.03 4.42 1.43 -1.25 -5.02 118.68 123.69 2dmf s LEU 46 Ca -0.03 0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2dmf s LEU 46 Cb -0.20 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 2dmf s LEU 46 CO -0.01 0.01 -0.14 -1.38 0.23 0.00 0.00 176.35 175.05 2dmf s HIS 47 N 1.10 1.27 0.64 0.29 -3.43 -1.26 -3.94 115.29 109.96 2dmf s HIS 47 Ca 0.14 -0.34 -0.11 0.00 -0.80 0.00 0.00 55.06 53.94 2dmf s HIS 47 Cb -0.14 -0.76 0.16 0.00 -1.43 0.00 0.00 32.58 30.41 2dmf s HIS 47 CO 0.06 0.03 0.57 -0.35 -2.00 0.00 0.00 174.74 173.05 2dmf n PRO 48 N 1.98 -2.14 -3.93 -0.38 -0.04 -1.26 -4.92 135.00 124.31 2dmf n PRO 48 Ca -0.18 -0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 62.07 2dmf n PRO 48 Cb 0.55 -0.85 -0.13 0.00 -0.04 0.00 0.00 33.50 33.02 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 -3.00 3.37 0.49 0.55 0.00 -1.26 -5.02 121.76 116.88 2dmf s ALA 49 Ca 0.37 -3.32 0.02 0.00 0.00 0.00 0.00 51.96 49.03 2dmf s ALA 49 Cb -0.04 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 2dmf s ALA 49 CO 0.28 -2.03 0.05 0.95 0.00 0.00 0.00 175.76 175.01 2dmf s THR 50 N -0.36 0.86 0.35 0.00 -4.23 -1.26 -5.11 115.64 105.88 2dmf s THR 50 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2dmf s THR 50 Cb -0.24 -2.14 0.07 0.00 1.34 0.00 0.00 72.50 71.52 2dmf s THR 50 CO -0.01 0.00 0.48 0.00 -0.54 0.00 0.00 174.62 174.54 2dmf n ALA 51 N -1.17 0.12 -0.59 3.99 0.00 -1.26 -4.86 120.51 116.75 2dmf n ALA 51 Ca -0.16 -0.95 0.46 0.00 0.00 0.00 0.00 53.44 52.80 2dmf n ALA 51 Cb 0.66 0.16 0.71 0.00 0.00 0.00 0.00 19.45 20.98 2dmf n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dmf n GLU 52 N -1.88 0.00 -0.32 0.00 4.07 -1.26 -0.09 120.64 121.17 2dmf n GLU 52 Ca 0.08 1.00 0.21 0.00 -0.06 0.00 0.00 57.16 58.40 2dmf n GLU 52 Cb 0.29 -2.35 0.42 0.00 -0.06 0.00 0.00 31.44 29.73 2dmf n GLU 52 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2dmf h ASP 53 N 0.00 0.04 -3.59 4.31 3.58 -2.05 -2.79 116.42 115.93 2dmf h ASP 53 Ca 0.81 0.24 -0.75 0.00 0.42 0.00 0.00 57.03 57.75 2dmf h ASP 53 Cb 3.42 0.31 -0.31 0.00 1.72 0.00 0.00 39.33 44.47 2dmf h ASP 53 CO -0.01 -0.30 0.12 -1.10 -2.88 0.00 0.00 179.24 175.07 2dmf s GLN 54 N -5.78 3.62 0.12 0.28 -1.52 0.88 -5.05 119.66 112.21 2dmf s GLN 54 Ca -0.11 -3.05 0.02 0.00 -1.95 0.00 0.00 55.36 50.27 2dmf s GLN 54 Cb 0.30 -4.24 -0.04 0.00 -0.22 0.00 0.00 33.01 28.81 2dmf s GLN 54 CO 0.78 -1.25 0.25 0.34 -0.25 0.00 0.00 175.29 175.16 2dmf s ASP 55 N 0.88 6.28 -1.15 5.90 2.15 -1.05 -4.49 116.67 125.19 2dmf s ASP 55 Ca 0.26 0.18 -0.03 0.00 0.43 0.00 0.00 52.55 53.38 2dmf s ASP 55 Cb -0.10 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 2dmf s ASP 55 CO -0.09 0.09 0.98 -1.20 -0.17 0.00 0.00 175.17 174.77 2dmf n SER 56 N -0.27 -3.73 -3.77 -0.34 7.64 -1.26 -2.74 113.62 109.15 2dmf n SER 56 Ca -0.07 -0.53 -0.26 0.00 1.01 0.00 0.00 58.87 59.02 2dmf n SER 56 Cb 0.53 -4.65 -0.07 0.00 -1.01 0.00 0.00 64.21 59.02 2dmf n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dmf n GLN 57 N -4.15 -0.89 -0.37 1.43 0.00 -1.26 -4.73 117.38 107.42 2dmf n GLN 57 Ca -0.15 0.08 0.03 0.00 0.00 0.00 0.00 57.00 56.96 2dmf n GLN 57 Cb 0.61 -2.95 0.10 0.00 0.00 0.00 0.00 30.24 28.00 2dmf n GLN 57 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2dmf n TYR 58 N -3.38 0.21 -3.98 2.61 9.36 -1.11 -3.99 117.16 116.89 2dmf n TYR 58 Ca -0.10 1.21 -0.35 0.00 3.32 0.00 0.00 57.90 61.98 2dmf n TYR 58 Cb 0.43 -0.98 -0.13 0.00 -0.63 0.00 0.00 39.34 38.02 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 -6.11 3.62 0.17 2.97 0.11 -1.26 -4.74 120.40 115.17 2dmf s VAL 59 Ca -0.14 -0.42 -0.24 0.00 -2.93 0.00 0.00 61.98 58.25 2dmf s VAL 59 Cb 0.24 -2.65 0.06 0.00 -1.53 0.00 0.00 36.38 32.50 2dmf s VAL 59 CO 0.74 0.42 0.86 0.00 -3.33 0.00 0.00 175.10 173.78 2dmf s PHE 61 N -3.49 -1.18 -0.89 0.00 -0.71 -1.25 -2.17 117.98 108.29 2dmf s PHE 61 Ca 0.10 1.88 -0.25 0.00 -1.04 0.00 0.00 56.93 57.63 2dmf s PHE 61 Cb -0.03 0.56 -0.09 0.00 -1.21 0.00 0.00 43.02 42.26 2dmf s PHE 61 CO 0.01 -0.65 2.10 0.99 -1.34 0.00 0.00 175.22 176.34 2dmf s THR 62 N 2.78 3.30 0.09 -4.49 2.01 -0.70 -3.80 115.64 114.83 2dmf s THR 62 Ca 0.01 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 2dmf s THR 62 Cb -0.13 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.56 2dmf s THR 62 CO -0.17 -0.62 1.85 -0.11 -0.69 0.00 0.00 174.62 174.89 2dmf n LEU 63 N 15.74 3.96 -4.89 4.42 -0.00 0.04 -2.83 117.00 133.45 2dmf n LEU 63 Ca 0.43 0.98 -0.35 0.00 -0.00 0.00 0.00 56.01 57.06 2dmf n LEU 63 Cb 0.46 -1.52 -0.06 0.00 -0.00 0.00 0.00 43.42 42.30 2dmf n LEU 63 CO 0.58 0.13 -0.17 -0.69 -0.00 0.00 0.00 177.39 177.25 2dmf s VAL 64 N 3.06 5.46 -0.27 1.96 1.01 -0.90 -2.39 120.40 128.33 2dmf s VAL 64 Ca 0.84 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 2dmf s VAL 64 Cb -0.50 -3.45 0.09 0.00 0.00 0.00 0.00 36.38 32.51 2dmf s VAL 64 CO 0.40 0.50 0.08 -0.76 0.00 0.00 0.00 175.10 175.32 2dmf s LEU 65 N -1.40 1.66 -0.47 3.92 1.43 -0.01 -3.63 118.68 120.18 2dmf s LEU 65 Ca 0.20 -1.35 -0.16 0.00 -1.03 0.00 0.00 54.13 51.79 2dmf s LEU 65 Cb -0.12 -0.71 0.07 0.00 0.03 0.00 0.00 46.19 45.46 2dmf s LEU 65 CO 0.10 -0.39 0.40 -1.58 0.23 0.00 0.00 176.35 175.11 2dmf s GLN 66 N 1.76 2.98 -0.50 1.70 0.74 -1.04 -1.50 119.66 123.81 2dmf s GLN 66 Ca 0.07 -1.35 -0.20 0.00 0.05 0.00 0.00 55.36 53.93 2dmf s GLN 66 Cb -0.17 -4.13 0.05 0.00 1.10 0.00 0.00 33.01 29.86 2dmf s GLN 66 CO -0.22 -1.03 0.65 0.08 -0.55 0.00 0.00 175.29 174.21 2dmf s VAL 67 N 1.65 4.84 0.28 1.34 1.01 -0.19 -0.66 120.40 128.66 2dmf s VAL 67 Ca 0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2dmf s VAL 67 Cb -0.24 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 31.91 2dmf s VAL 67 CO 0.07 -0.78 0.25 -0.81 0.00 0.00 0.00 175.10 173.82 2dmf n PRO 68 N 6.27 -1.50 0.08 2.72 -0.04 -1.26 -0.86 135.00 140.40 2dmf n PRO 68 Ca -0.05 -0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 62.88 2dmf n PRO 68 Cb 0.46 -0.37 -0.06 0.00 -0.04 0.00 0.00 33.50 33.49 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 -2.17 0.33 -0.59 0.55 0.00 -1.87 -3.28 119.26 112.24 2dmf h ALA 69 Ca -0.09 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.04 2dmf h ALA 69 Cb 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2dmf h ALA 69 CO 0.06 0.86 0.24 0.93 0.00 0.00 0.00 179.25 181.34 2dmf h GLU 70 N 0.18 0.87 -3.50 0.00 5.08 -1.90 -3.45 114.58 111.86 2dmf h GLU 70 Ca -0.09 -0.15 -0.38 0.00 -1.00 0.00 0.00 59.36 57.74 2dmf h GLU 70 Cb 1.64 -0.14 0.07 0.00 0.50 0.00 0.00 28.75 30.82 2dmf h GLU 70 CO 0.17 0.74 -0.36 0.98 -1.00 0.00 0.00 179.01 179.54 2dmf n TYR 71 N -4.48 -0.48 0.14 4.33 4.19 -1.24 -2.27 117.16 117.36 2dmf n TYR 71 Ca 0.03 0.52 -0.00 0.00 3.31 0.00 0.00 57.90 61.76 2dmf n TYR 71 Cb 0.16 -1.12 0.25 0.00 0.49 0.00 0.00 39.34 39.11 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 0.50 0.08 -0.34 2.98 0.13 -1.87 -3.44 132.00 130.03 2dmf h PRO 72 Ca -0.17 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.02 2dmf h PRO 72 Cb 0.84 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.91 2dmf h PRO 72 CO 0.32 0.54 0.03 0.72 -0.23 0.00 0.00 178.00 179.38 2dmf n HIS 73 N -3.97 0.24 -4.05 1.56 8.25 -0.96 -3.74 115.22 112.54 2dmf n HIS 73 Ca -0.02 0.41 -0.35 0.00 -0.26 0.00 0.00 57.72 57.51 2dmf n HIS 73 Cb 0.51 -0.77 -0.09 0.00 1.12 0.00 0.00 29.99 30.75 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 -5.05 3.76 0.39 -0.41 2.56 -1.24 -4.70 118.70 114.01 2dmf s GLU 74 Ca -0.04 -0.33 -0.27 0.00 0.00 0.00 0.00 54.97 54.33 2dmf s GLU 74 Cb 0.10 -3.14 -0.09 0.00 2.00 0.00 0.00 34.13 33.00 2dmf s GLU 74 CO 0.27 0.40 1.30 0.14 -0.56 0.00 0.00 175.26 176.81 2dmf s VAL 75 N 0.01 2.65 0.16 3.70 -7.23 -1.25 -3.68 120.40 114.76 2dmf s VAL 75 Ca 0.06 0.60 -0.31 0.00 -1.81 0.00 0.00 61.98 60.52 2dmf s VAL 75 Cb -0.12 -3.36 -0.08 0.00 0.56 0.00 0.00 36.38 33.38 2dmf s VAL 75 CO 0.01 0.10 1.33 -2.16 -0.31 0.00 0.00 175.10 174.07 2dmf s PRO 76 N -2.14 4.37 -0.41 4.82 0.04 -1.26 -4.81 135.00 135.61 2dmf s PRO 76 Ca 0.55 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.36 2dmf s PRO 76 Cb -0.38 -3.22 -0.06 0.00 0.04 0.00 0.00 34.50 30.88 2dmf s PRO 76 CO 0.50 -0.32 2.28 -1.14 0.04 0.00 0.00 177.00 178.36 2dmf s GLN 77 N 0.41 2.50 -0.14 4.56 0.74 0.17 -4.69 119.66 123.21 2dmf s GLN 77 Ca 0.60 1.53 -0.20 0.00 0.05 0.00 0.00 55.36 57.33 2dmf s GLN 77 Cb -0.36 -4.49 -0.03 0.00 1.10 0.00 0.00 33.01 29.22 2dmf s GLN 77 CO 0.35 -2.83 0.58 0.42 -0.55 0.00 0.00 175.29 173.25 2dmf s ILE 78 N 10.58 5.10 -0.04 -2.34 1.01 -1.26 -2.48 121.20 131.77 2dmf s ILE 78 Ca 0.95 1.14 -0.09 0.00 0.00 0.00 0.00 60.65 62.65 2dmf s ILE 78 Cb -0.22 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.36 2dmf s ILE 78 CO 0.29 0.23 0.21 -0.44 0.00 0.00 0.00 174.94 175.23 2dmf s SER 79 N 0.88 -0.13 -0.14 3.58 0.01 -1.24 -5.03 113.70 111.63 2dmf s SER 79 Ca 0.29 0.14 -0.20 0.00 1.31 0.00 0.00 55.95 57.49 2dmf s SER 79 Cb -0.16 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2dmf s SER 79 CO 0.12 -0.26 0.57 -0.63 0.41 0.00 0.00 173.24 173.45 2dmf s ILE 80 N -0.73 5.10 -0.07 1.44 -1.09 -1.26 -2.11 121.20 122.49 2dmf s ILE 80 Ca -0.08 1.11 0.04 0.00 -2.23 0.00 0.00 60.65 59.49 2dmf s ILE 80 Cb -0.05 -3.90 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 2dmf s ILE 80 CO 0.02 0.23 -0.19 -0.60 -1.23 0.00 0.00 174.94 173.16 2dmf s ARG 81 N 1.17 2.69 -1.27 2.79 3.52 -1.13 -4.71 118.95 122.01 2dmf s ARG 81 Ca 0.29 -0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 55.03 2dmf s ARG 81 Cb -0.16 -2.33 -0.01 0.00 -1.56 0.00 0.00 34.95 30.90 2dmf s ARG 81 CO 0.12 0.44 0.66 0.09 -0.81 0.00 0.00 175.30 175.79 2dmf n ASN 82 N 2.83 -2.44 -4.63 -2.12 4.13 -1.26 -1.72 115.26 110.04 2dmf n ASN 82 Ca -0.17 -0.93 -0.43 0.00 1.68 0.00 0.00 54.58 54.73 2dmf n ASN 82 Cb 0.52 -3.62 -0.03 0.00 -1.54 0.00 0.00 39.78 35.11 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 -6.06 3.83 -0.17 3.52 0.04 -1.26 -4.42 135.00 130.49 2dmf s PRO 83 Ca 0.17 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 2dmf s PRO 83 Cb -0.05 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2dmf s PRO 83 CO 0.85 -1.25 0.01 0.50 0.04 0.00 0.00 177.00 177.15 2dmf s ARG 84 N 4.59 3.81 0.00 4.56 3.00 -0.92 -4.60 118.95 129.40 2dmf s ARG 84 Ca 0.71 -0.44 0.00 0.00 -1.00 0.00 0.00 55.73 55.00 2dmf s ARG 84 Cb -0.25 -3.05 0.00 0.00 0.00 0.00 0.00 34.95 31.65 2dmf s ARG 84 CO 0.29 0.27 0.00 0.41 0.00 0.00 0.00 175.30 176.26 2dmf n GLY 85 N 3.51 1.06 3.68 8.12 0.00 -1.26 -3.94 105.19 116.35 2dmf n GLY 85 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 4.27 0.55 0.99 1.43 -1.26 -4.95 118.68 119.72 2dmf s LEU 86 Ca 0.00 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.10 2dmf s LEU 86 Cb 0.00 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.73 2dmf s LEU 86 CO 0.00 -0.71 0.76 -0.44 0.23 0.00 0.00 176.35 176.19 2dmf s SER 87 N 1.93 5.14 0.29 2.29 0.01 -1.26 -4.75 113.70 117.36 2dmf s SER 87 Ca 0.60 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 57.31 2dmf s SER 87 Cb -0.27 -0.18 0.63 0.00 0.21 0.00 0.00 66.02 66.40 2dmf s SER 87 CO 0.23 -1.25 1.57 -0.78 0.41 0.00 0.00 173.24 173.42 2dmf h ASP 88 N 0.16 -0.61 0.59 2.44 1.82 -1.98 0.18 116.42 119.03 2dmf h ASP 88 Ca -0.35 0.28 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 2dmf h ASP 88 Cb 1.28 0.52 -0.01 0.00 0.68 0.00 0.00 39.33 41.80 2dmf h ASP 88 CO 0.43 -0.33 -0.40 -0.08 -1.61 0.00 0.00 179.24 177.25 2dmf h GLU 89 N 0.01 -0.91 -0.13 0.28 4.81 -1.99 0.13 114.58 116.78 2dmf h GLU 89 Ca 0.54 0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.88 2dmf h GLU 89 Cb 1.02 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 2dmf h GLU 89 CO -0.93 -0.61 -0.35 1.96 -0.73 0.00 0.00 179.01 178.35 2dmf h GLN 90 N -0.94 -0.41 -0.69 1.92 1.08 -1.45 -1.59 115.11 113.02 2dmf h GLN 90 Ca -0.08 0.03 0.12 0.00 -1.45 0.00 0.00 58.65 57.27 2dmf h GLN 90 Cb 0.77 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 28.21 2dmf h GLN 90 CO 0.05 -0.28 0.25 0.82 -0.95 0.00 0.00 178.83 178.73 2dmf h ILE 91 N -0.43 0.69 -0.51 2.54 2.04 -0.67 -1.65 117.51 119.52 2dmf h ILE 91 Ca 0.09 -0.14 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2dmf h ILE 91 Cb 0.58 0.24 -0.10 0.00 -0.74 0.00 0.00 36.82 36.80 2dmf h ILE 91 CO -0.37 0.07 -0.24 -0.74 0.00 0.00 0.00 178.15 176.88 2dmf h HIS 92 N 0.41 -0.61 0.16 1.37 2.76 0.27 -0.29 115.15 119.21 2dmf h HIS 92 Ca 0.37 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.59 2dmf h HIS 92 Cb 0.53 0.35 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2dmf h HIS 92 CO -0.18 -0.32 -0.08 1.15 -1.30 0.00 0.00 177.93 177.20 2dmf h THR 93 N -0.12 0.90 -0.58 6.26 2.02 -1.00 -1.66 112.91 118.73 2dmf h THR 93 Ca 0.23 -0.25 0.11 0.00 0.77 0.00 0.00 66.41 67.28 2dmf h THR 93 Cb 0.49 1.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.84 2dmf h THR 93 CO -0.58 0.06 -0.25 0.40 0.37 0.00 0.00 175.52 175.52 2dmf h ILE 94 N -0.33 0.27 0.67 3.11 2.04 -0.57 -1.60 117.51 121.09 2dmf h ILE 94 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 2dmf h ILE 94 Cb 0.26 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 36.62 2dmf h ILE 94 CO 0.04 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.80 2dmf h LEU 95 N -0.10 -0.76 -0.76 1.44 3.38 -1.00 -1.52 115.31 116.00 2dmf h LEU 95 Ca 0.26 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.44 2dmf h LEU 95 Cb 0.51 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.31 2dmf h LEU 95 CO -0.64 -0.53 -0.07 0.00 0.09 0.00 0.00 178.44 177.28 2dmf n GLN 96 N -4.47 -0.06 0.10 1.13 1.13 -0.63 -0.25 117.38 114.32 2dmf n GLN 96 Ca -0.11 1.16 -0.04 0.00 -1.94 0.00 0.00 57.00 56.07 2dmf n GLN 96 Cb 0.35 -1.80 -0.02 0.00 0.11 0.00 0.00 30.24 28.89 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2dmf h VAL 97 N 0.00 0.00 -1.00 5.09 2.07 -1.17 -2.15 116.25 119.08 2dmf h VAL 97 Ca 0.42 -0.08 0.39 0.00 0.82 0.00 0.00 66.70 68.25 2dmf h VAL 97 Cb 0.78 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.37 2dmf h VAL 97 CO -0.75 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 177.22 2dmf h LEU 98 N -0.35 0.18 -0.15 2.57 3.38 -0.05 0.51 115.31 121.41 2dmf h LEU 98 Ca -0.03 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2dmf h LEU 98 Cb 0.20 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dmf h LEU 98 CO 0.04 -0.42 0.02 1.23 0.09 0.00 0.00 178.44 179.41 2dmf h GLY 99 N 0.01 0.26 0.41 0.83 0.00 -0.61 -2.87 103.07 101.10 2dmf h GLY 99 Ca 0.80 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 48.05 2dmf h GLY 99 CO -0.79 0.16 0.31 0.84 0.00 0.00 0.00 176.54 177.06 2dmf h HIS 100 N 0.02 0.55 -0.77 5.60 -0.00 0.69 -1.17 115.15 120.07 2dmf h HIS 100 Ca 0.04 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 2dmf h HIS 100 Cb 0.31 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.52 2dmf h HIS 100 CO 0.02 0.17 0.47 0.28 -0.00 0.00 0.00 177.93 178.87 2dmf h VAL 101 N 0.53 1.04 0.89 5.26 2.07 -1.28 0.43 116.25 125.18 2dmf h VAL 101 Ca 0.35 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 2dmf h VAL 101 Cb 0.41 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2dmf h VAL 101 CO -0.30 0.16 -0.43 0.00 0.02 0.00 0.00 177.57 177.02 2dmf h ALA 102 N 1.36 -1.20 -0.97 1.67 0.00 -1.02 -0.06 119.26 119.05 2dmf h ALA 102 Ca 0.33 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.12 2dmf h ALA 102 Cb 0.14 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2dmf h ALA 102 CO -0.16 -1.12 0.61 0.87 0.00 0.00 0.00 179.25 179.45 2dmf h LYS 103 N -1.30 0.84 0.00 0.00 1.57 -1.22 0.13 116.57 116.59 2dmf h LYS 103 Ca -0.12 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2dmf h LYS 103 Cb 0.92 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2dmf h LYS 103 CO 0.20 0.55 -0.40 0.00 -0.57 0.00 0.00 179.45 179.23 2dmf h ALA 104 N 1.57 1.27 -1.14 3.86 0.00 -0.78 -3.14 119.26 120.90 2dmf h ALA 104 Ca 0.50 -0.37 -0.68 0.00 0.00 0.00 0.00 54.91 54.36 2dmf h ALA 104 Cb 0.63 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.02 2dmf h ALA 104 CO -0.26 0.50 0.31 0.41 0.00 0.00 0.00 179.25 180.21 2dmf n GLY 105 N -0.28 5.80 3.81 0.00 0.00 0.42 -5.03 105.19 109.92 2dmf n GLY 105 Ca -0.02 -2.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.13 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 -3.83 3.16 0.00 0.99 1.43 -1.04 -3.31 118.68 116.07 2dmf s LEU 106 Ca 0.52 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2dmf s LEU 106 Cb 0.43 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 42.15 2dmf s LEU 106 CO -0.25 -1.49 0.00 0.61 0.23 0.00 0.00 176.35 175.45 2dmf n GLY 107 N -1.79 0.21 3.42 -3.19 0.00 -1.26 -4.91 105.19 97.68 2dmf n GLY 107 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.59 0.28 -0.52 2.61 -4.23 -1.21 -4.92 115.64 106.06 2dmf s THR 108 Ca 0.00 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.22 2dmf s THR 108 Cb 0.00 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.50 2dmf s THR 108 CO 0.00 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.23 2dmf s ALA 109 N -3.28 3.09 -0.13 3.99 0.00 -1.26 -4.80 121.76 119.37 2dmf s ALA 109 Ca 0.30 -0.63 0.12 0.00 0.00 0.00 0.00 51.96 51.75 2dmf s ALA 109 Cb 0.02 -3.94 -0.17 0.00 0.00 0.00 0.00 23.12 19.03 2dmf s ALA 109 CO 0.21 -2.42 0.05 0.00 0.00 0.00 0.00 175.76 173.60 2dmf n MET 110 N 8.06 1.80 0.00 0.00 3.85 -1.26 -4.65 117.12 124.93 2dmf n MET 110 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 57.70 56.80 2dmf n MET 110 Cb 0.49 -1.34 0.00 0.00 -1.05 0.00 0.00 33.22 31.32 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 -2.48 0.00 -0.29 3.17 4.77 -1.26 0.34 117.00 121.25 2dmf n LEU 111 Ca -0.21 0.60 0.03 0.00 -0.03 0.00 0.00 56.01 56.39 2dmf n LEU 111 Cb 0.92 -0.26 0.10 0.00 -2.33 0.00 0.00 43.42 41.86 2dmf n LEU 111 CO 0.28 -0.26 0.70 0.22 -1.33 0.00 0.00 177.39 177.00 2dmf h TYR 112 N 0.00 -0.45 0.06 -1.77 5.03 -1.98 -1.55 116.97 116.31 2dmf h TYR 112 Ca 0.00 0.07 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 2dmf h TYR 112 Cb 0.00 0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.60 2dmf h TYR 112 CO -0.49 -0.35 -0.06 0.93 -1.32 0.00 0.00 178.16 176.87 2dmf h GLU 113 N -0.00 -0.12 -1.30 1.82 5.08 -0.38 0.35 114.58 120.04 2dmf h GLU 113 Ca 0.39 0.01 0.44 0.00 -1.00 0.00 0.00 59.36 59.21 2dmf h GLU 113 Cb 0.60 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.75 2dmf h GLU 113 CO -0.85 -0.08 0.84 1.28 -1.00 0.00 0.00 179.01 179.21 2dmf n LEU 114 N -2.60 0.18 0.00 1.33 4.77 0.10 -0.41 117.00 120.36 2dmf n LEU 114 Ca -0.01 1.24 0.00 0.00 -0.03 0.00 0.00 56.01 57.21 2dmf n LEU 114 Cb 0.05 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 2dmf n LEU 114 CO 0.03 -1.34 0.13 -0.38 -1.33 0.00 0.00 177.39 174.49 2dmf n ILE 115 N -4.48 0.00 -0.45 -0.08 5.41 -0.64 -3.06 119.36 116.07 2dmf n ILE 115 Ca 0.37 0.64 0.39 0.00 1.00 0.00 0.00 62.75 65.15 2dmf n ILE 115 Cb 1.46 -1.43 0.66 0.00 -0.71 0.00 0.00 39.64 39.63 2dmf n ILE 115 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2dmf h GLU 116 N 0.00 0.02 0.57 0.38 4.11 0.04 0.79 114.58 120.49 2dmf h GLU 116 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 2dmf h GLU 116 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2dmf h GLU 116 CO 0.00 0.01 -0.37 -0.22 0.07 0.00 0.00 179.01 178.50 2dmf h LYS 117 N 0.02 -0.86 -0.87 1.06 1.63 -0.83 -2.89 116.57 113.83 2dmf h LYS 117 Ca 0.87 0.06 0.22 0.00 -0.85 0.00 0.00 60.65 60.95 2dmf h LYS 117 Cb 2.72 0.20 -0.16 0.00 -0.60 0.00 0.00 32.23 34.38 2dmf h LYS 117 CO -0.50 -0.57 -0.06 0.41 -3.45 0.00 0.00 179.45 175.27 2dmf n GLY 118 N -1.47 -1.28 0.32 5.01 0.00 0.27 0.14 105.19 108.18 2dmf n GLY 118 Ca -0.11 0.88 0.13 0.00 0.00 0.00 0.00 46.02 46.93 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 0.44 0.51 1.61 1.57 -1.47 -2.27 116.57 116.96 2dmf h LYS 119 Ca 0.49 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.22 2dmf h LYS 119 Cb 0.94 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.15 2dmf h LYS 119 CO -0.85 0.29 -0.25 0.93 -0.57 0.00 0.00 179.45 179.01 2dmf h GLU 120 N 0.45 -0.66 -0.58 3.15 4.39 0.13 -2.76 114.58 118.69 2dmf h GLU 120 Ca 0.56 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.36 2dmf h GLU 120 Cb 1.05 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 2dmf h GLU 120 CO -0.50 -0.44 -0.34 -0.89 -1.16 0.00 0.00 179.01 175.67 2dmf n ILE 121 N -5.06 -0.40 -0.07 3.13 5.41 -0.92 0.33 119.36 121.78 2dmf n ILE 121 Ca -0.09 1.65 -0.07 0.00 1.00 0.00 0.00 62.75 65.25 2dmf n ILE 121 Cb 0.27 -2.07 -0.01 0.00 -0.71 0.00 0.00 39.64 37.13 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 -0.43 -0.83 1.39 6.46 -1.54 -1.54 115.31 118.82 2dmf h LEU 122 Ca 0.09 0.11 0.34 0.00 -0.12 0.00 0.00 57.88 58.30 2dmf h LEU 122 Cb 0.24 0.24 -0.15 0.00 -0.73 0.00 0.00 40.66 40.26 2dmf h LEU 122 CO -0.55 -0.16 0.42 0.41 -0.62 0.00 0.00 178.44 177.94 2dmf n THR 123 N -5.30 -0.35 0.11 1.05 -1.04 0.15 0.47 114.28 109.37 2dmf n THR 123 Ca -0.00 1.70 -0.09 0.00 -2.04 0.00 0.00 64.05 63.63 2dmf n THR 123 Cb 0.21 -2.75 -0.05 0.00 -1.82 0.00 0.00 70.33 65.92 2dmf n THR 123 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dmf h ASP 124 N 0.00 -0.30 -0.98 8.00 3.32 -0.95 -3.31 116.42 122.19 2dmf h ASP 124 Ca 0.70 -0.14 -0.51 0.00 0.02 0.00 0.00 57.03 57.10 2dmf h ASP 124 Cb 1.82 0.08 -0.20 0.00 0.22 0.00 0.00 39.33 41.25 2dmf h ASP 124 CO -0.65 0.19 0.57 -0.46 -1.72 0.00 0.00 179.24 177.17 2dmf n ASN 125 N -5.01 6.82 -1.41 6.45 0.23 0.89 -4.48 115.26 118.75 2dmf n ASN 125 Ca -0.06 -3.34 0.05 0.00 -0.53 0.00 0.00 54.58 50.69 2dmf n ASN 125 Cb 0.22 -1.11 0.27 0.00 -2.08 0.00 0.00 39.78 37.07 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2dmf n ASN 126 N 0.22 4.09 -4.70 0.53 0.23 0.18 -4.89 115.26 110.91 2dmf n ASN 126 Ca 0.46 -2.60 -0.39 0.00 -0.53 0.00 0.00 54.58 51.51 2dmf n ASN 126 Cb 0.54 -0.62 -0.05 0.00 -2.08 0.00 0.00 39.78 37.56 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2dmf s ILE 127 N -2.14 5.08 0.28 1.53 1.09 -1.26 -5.04 121.20 120.73 2dmf s ILE 127 Ca 0.36 1.23 -0.29 0.00 -1.10 0.00 0.00 60.65 60.84 2dmf s ILE 127 Cb 0.27 -3.95 -0.10 0.00 -1.06 0.00 0.00 42.46 37.63 2dmf s ILE 127 CO 0.11 0.24 1.25 -2.16 -0.10 0.00 0.00 174.94 174.27 2dmf s PRO 128 N 1.04 4.45 0.25 2.79 0.04 -1.26 -5.01 135.00 137.31 2dmf s PRO 128 Ca 0.32 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2dmf s PRO 128 Cb -0.16 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 2dmf s PRO 128 CO 0.14 -0.09 0.95 -3.38 0.04 0.00 0.00 177.00 174.65 2dmf s HIS 129 N -0.81 3.93 1.22 0.56 -3.43 -1.26 -5.04 115.29 110.47 2dmf s HIS 129 Ca 0.50 1.89 -0.14 0.00 -0.80 0.00 0.00 55.06 56.51 2dmf s HIS 129 Cb -0.37 -2.99 0.30 0.00 -1.43 0.00 0.00 32.58 28.10 2dmf s HIS 129 CO 0.46 0.38 0.94 0.41 -2.00 0.00 0.00 174.74 174.93 2dmf n GLY 130 N 1.36 -2.29 3.27 -1.38 0.00 -1.26 -5.01 105.19 99.87 2dmf n GLY 130 Ca -0.01 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2dmf n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmf s GLN 131 N -4.36 3.27 0.50 1.61 0.74 -1.26 -5.09 119.66 115.07 2dmf s GLN 131 Ca 0.68 -0.69 0.08 0.00 0.05 0.00 0.00 55.36 55.48 2dmf s GLN 131 Cb -0.24 -2.83 0.04 0.00 1.10 0.00 0.00 33.01 31.08 2dmf s GLN 131 CO 0.65 -0.13 0.60 0.45 -0.55 0.00 0.00 175.29 176.31 2dmf s SER 132 N 1.24 5.18 0.00 6.67 0.15 -1.26 -5.07 113.70 120.62 2dmf s SER 132 Ca 0.03 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.91 2dmf s SER 132 Cb -0.14 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2dmf s SER 132 CO -0.04 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2dmf n GLY 133 N -1.94 1.73 0.24 9.45 0.00 -1.26 -4.29 105.19 109.11 2dmf n GLY 133 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2dmf n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmf h PRO 134 N 0.00 0.00 0.16 1.61 0.13 -2.06 -3.20 132.00 128.64 2dmf h PRO 134 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2dmf h PRO 134 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dmf h PRO 134 CO 0.00 0.19 -0.13 0.77 -0.23 0.00 0.00 178.00 178.60 2dmf h SER 135 N 0.00 -0.34 -4.16 1.44 0.02 -2.02 -3.42 113.55 105.08 2dmf h SER 135 Ca -0.00 0.03 -0.54 0.00 -0.84 0.00 0.00 61.79 60.43 2dmf h SER 135 Cb 0.63 0.11 0.16 0.00 0.14 0.00 0.00 62.40 63.45 2dmf h SER 135 CO 0.02 -0.21 0.43 -0.94 -1.14 0.00 0.00 176.83 175.00 2dmf s SER 136 N -4.93 4.18 0.00 3.07 1.04 -1.21 -5.06 113.70 110.80 2dmf s SER 136 Ca -0.15 2.48 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2dmf s SER 136 Cb 0.06 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2dmf s SER 136 CO 0.65 -2.28 0.46 0.61 0.98 0.00 0.00 173.24 173.66