#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf s SER 2 N 0.00 -0.97 -0.47 1.61 1.04 -1.26 -5.11 113.70 108.54 2dmf s SER 2 Ca 0.00 0.68 -0.32 0.00 0.48 0.00 0.00 55.95 56.79 2dmf s SER 2 Cb 0.00 1.85 -0.12 0.00 0.10 0.00 0.00 66.02 67.85 2dmf s SER 2 CO 0.00 -0.18 2.32 -1.20 0.98 0.00 0.00 173.24 175.15 2dmf n SER 3 N 5.42 1.92 -3.87 7.02 7.64 -1.26 -4.88 113.62 125.61 2dmf n SER 3 Ca -0.04 0.18 -0.29 0.00 1.01 0.00 0.00 58.87 59.73 2dmf n SER 3 Cb 0.52 -1.29 -0.13 0.00 -1.01 0.00 0.00 64.21 62.31 2dmf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dmf s GLY 4 N 8.62 2.64 0.13 0.23 0.00 -1.26 -4.95 107.32 112.73 2dmf s GLY 4 Ca 1.11 -3.54 -0.22 0.00 0.00 0.00 0.00 44.72 42.07 2dmf s GLY 4 CO 0.44 1.15 1.66 0.23 0.00 0.00 0.00 173.10 176.58 2dmf h SER 5 N 5.78 -0.52 -4.27 1.64 0.87 -2.09 -3.45 113.55 111.51 2dmf h SER 5 Ca 0.08 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2dmf h SER 5 Cb 0.81 0.25 -0.22 0.00 -0.44 0.00 0.00 62.40 62.80 2dmf h SER 5 CO 0.68 -0.21 0.35 -0.55 -0.53 0.00 0.00 176.83 176.56 2dmf s SER 6 N -5.05 -0.54 0.00 6.23 0.15 -1.26 -5.17 113.70 108.06 2dmf s SER 6 Ca -0.14 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dmf s SER 6 Cb 0.11 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2dmf s SER 6 CO 0.68 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.33 2dmf n GLY 7 N 1.30 2.70 3.40 9.45 0.00 -1.26 -5.17 105.19 115.61 2dmf n GLY 7 Ca -0.14 -0.30 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 4.18 1.47 -0.38 1.61 2.02 -1.26 -5.04 118.70 121.31 2dmf s GLU 8 Ca 0.00 -1.72 -0.02 0.00 0.02 0.00 0.00 54.97 53.26 2dmf s GLU 8 Cb 0.00 -1.13 0.20 0.00 0.10 0.00 0.00 34.13 33.30 2dmf s GLU 8 CO 0.00 0.09 2.17 -0.85 0.02 0.00 0.00 175.26 176.69 2dmf n GLU 9 N -0.51 2.00 -4.17 1.61 0.28 -1.26 -4.91 120.64 113.68 2dmf n GLU 9 Ca -0.06 -1.87 -0.30 0.00 -0.16 0.00 0.00 57.16 54.77 2dmf n GLU 9 Cb 0.62 -1.78 -0.08 0.00 1.43 0.00 0.00 31.44 31.63 2dmf n GLU 9 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 2dmf s ASP 10 N 0.04 4.90 -0.30 -1.84 1.47 -1.26 -5.11 116.67 114.57 2dmf s ASP 10 Ca 0.39 -0.20 -0.08 0.00 1.18 0.00 0.00 52.55 53.84 2dmf s ASP 10 Cb 0.29 -1.14 0.15 0.00 -0.34 0.00 0.00 42.92 41.89 2dmf s ASP 10 CO -0.05 0.19 0.69 0.86 0.68 0.00 0.00 175.17 177.54 2dmf s TRP 11 N -1.27 -1.31 -0.14 2.11 -0.00 -1.26 -5.03 118.94 112.05 2dmf s TRP 11 Ca 0.24 1.98 0.15 0.00 -0.00 0.00 0.00 56.10 58.47 2dmf s TRP 11 Cb -0.12 0.68 0.04 0.00 -0.00 0.00 0.00 33.47 34.07 2dmf s TRP 11 CO 0.17 -0.67 1.40 -0.39 -0.00 0.00 0.00 176.95 177.46 2dmf h VAL 12 N 5.92 0.90 -0.64 5.86 -1.51 -1.95 -3.32 116.25 121.51 2dmf h VAL 12 Ca -0.19 -2.29 0.12 0.00 -1.23 0.00 0.00 66.70 63.12 2dmf h VAL 12 Cb 1.12 2.43 -0.12 0.00 -2.13 0.00 0.00 31.29 32.59 2dmf h VAL 12 CO 0.13 0.51 -0.25 0.25 -1.23 0.00 0.00 177.57 176.98 2dmf h LEU 13 N 0.00 -0.90 -0.44 4.19 7.12 -1.96 -0.63 115.31 122.70 2dmf h LEU 13 Ca -0.01 0.22 -0.16 0.00 0.13 0.00 0.00 57.88 58.06 2dmf h LEU 13 Cb 1.42 0.50 -0.01 0.00 -0.53 0.00 0.00 40.66 42.04 2dmf h LEU 13 CO 0.07 -0.27 -0.39 1.55 -0.13 0.00 0.00 178.44 179.27 2dmf h PRO 14 N -0.08 0.87 -0.38 5.25 0.13 -2.00 -2.30 132.00 133.50 2dmf h PRO 14 Ca 0.28 -0.46 0.11 0.00 -0.87 0.00 0.00 66.00 65.06 2dmf h PRO 14 Cb 0.53 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2dmf h PRO 14 CO -0.70 1.11 0.27 0.77 -0.23 0.00 0.00 178.00 179.22 2dmf h SER 15 N 0.71 0.01 0.41 1.44 0.02 -1.26 -0.23 113.55 114.65 2dmf h SER 15 Ca 0.06 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.70 2dmf h SER 15 Cb 0.97 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2dmf h SER 15 CO 0.09 0.01 -1.68 -0.08 -1.14 0.00 0.00 176.83 174.03 2dmf h GLU 16 N 0.01 0.16 -0.01 3.45 4.57 -1.10 -3.38 114.58 118.29 2dmf h GLU 16 Ca 0.18 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2dmf h GLU 16 Cb 0.71 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2dmf h GLU 16 CO -0.00 0.93 0.01 0.28 -1.18 0.00 0.00 179.01 179.04 2dmf h VAL 17 N 0.04 1.15 -1.33 0.32 2.07 -0.66 -1.88 116.25 115.97 2dmf h VAL 17 Ca -0.29 -0.45 0.39 0.00 0.82 0.00 0.00 66.70 67.16 2dmf h VAL 17 Cb 2.01 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 33.14 2dmf h VAL 17 CO 0.12 0.12 0.93 1.05 0.02 0.00 0.00 177.57 179.80 2dmf h GLU 18 N -0.16 0.07 0.07 1.57 4.11 -1.26 0.30 114.58 119.28 2dmf h GLU 18 Ca 0.00 -0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2dmf h GLU 18 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2dmf h GLU 18 CO -0.00 0.05 -0.71 0.28 0.07 0.00 0.00 179.01 178.70 2dmf h VAL 19 N 0.08 1.43 -0.99 -1.06 2.07 -1.64 -3.34 116.25 112.80 2dmf h VAL 19 Ca 0.67 -2.39 0.04 0.00 0.82 0.00 0.00 66.70 65.84 2dmf h VAL 19 Cb 2.46 3.03 -0.06 0.00 -1.52 0.00 0.00 31.29 35.21 2dmf h VAL 19 CO -0.11 0.62 0.65 -0.07 0.02 0.00 0.00 177.57 178.68 2dmf h LEU 20 N -0.67 1.07 -2.32 2.57 3.38 0.01 -0.41 115.31 118.94 2dmf h LEU 20 Ca -0.15 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2dmf h LEU 20 Cb 1.39 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2dmf h LEU 20 CO 0.03 0.72 0.15 -0.33 0.09 0.00 0.00 178.44 179.10 2dmf h GLU 21 N 1.23 0.00 0.09 1.13 4.39 -0.68 0.68 114.58 121.42 2dmf h GLU 21 Ca 0.40 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.80 2dmf h GLU 21 Cb 0.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2dmf h GLU 21 CO -0.13 0.00 -1.56 1.03 -1.16 0.00 0.00 179.01 177.18 2dmf h SER 22 N 0.00 0.29 0.00 1.42 0.87 -1.20 -2.54 113.55 112.39 2dmf h SER 22 Ca 0.06 -0.44 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2dmf h SER 22 Cb 0.37 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2dmf h SER 22 CO -0.00 1.38 -0.18 0.40 -0.53 0.00 0.00 176.83 177.90 2dmf h ILE 23 N 0.05 0.03 -0.73 2.23 2.04 -0.68 -3.37 117.51 117.09 2dmf h ILE 23 Ca -0.25 -1.03 -0.37 0.00 1.00 0.00 0.00 64.86 64.22 2dmf h ILE 23 Cb 2.00 0.07 -0.22 0.00 -0.74 0.00 0.00 36.82 37.92 2dmf h ILE 23 CO 0.14 0.01 0.46 -1.22 0.00 0.00 0.00 178.15 177.54 2dmf n TYR 24 N -4.72 2.25 -0.21 1.37 4.01 0.22 -4.68 117.16 115.40 2dmf n TYR 24 Ca -0.03 -1.45 0.09 0.00 -0.16 0.00 0.00 57.90 56.35 2dmf n TYR 24 Cb 0.10 -0.75 0.18 0.00 -0.31 0.00 0.00 39.34 38.56 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 -0.66 -0.06 -0.08 7.72 -0.00 -0.96 0.13 117.00 123.09 2dmf n LEU 25 Ca 0.43 1.02 -0.13 0.00 -0.00 0.00 0.00 56.01 57.33 2dmf n LEU 25 Cb 1.36 -0.37 -0.07 0.00 -0.00 0.00 0.00 43.42 44.33 2dmf n LEU 25 CO 0.44 -1.03 -1.02 -0.67 -0.00 0.00 0.00 177.39 175.11 2dmf n ASP 26 N -4.75 2.33 0.13 1.45 2.03 -1.26 -4.50 116.55 111.99 2dmf n ASP 26 Ca 0.14 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.64 2dmf n ASP 26 Cb 0.47 -0.31 0.65 0.00 -0.72 0.00 0.00 41.12 41.21 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2dmf h GLU 27 N -0.17 0.00 -3.67 -0.67 5.08 -1.67 -3.40 114.58 110.08 2dmf h GLU 27 Ca -0.36 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.84 2dmf h GLU 27 Cb 1.48 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.51 2dmf h GLU 27 CO -0.11 0.00 -0.58 -1.17 -1.00 0.00 0.00 179.01 176.15 2dmf s LEU 28 N -6.56 1.80 -0.05 1.33 0.20 0.12 -3.78 118.68 111.74 2dmf s LEU 28 Ca -0.03 -0.25 0.06 0.00 0.69 0.00 0.00 54.13 54.60 2dmf s LEU 28 Cb 0.12 0.43 -0.02 0.00 -0.43 0.00 0.00 46.19 46.29 2dmf s LEU 28 CO 0.40 -0.30 -0.24 -1.10 -0.29 0.00 0.00 176.35 174.83 2dmf s GLN 29 N -1.21 2.45 0.03 1.98 -0.21 0.31 -4.50 119.66 118.51 2dmf s GLN 29 Ca -0.13 -0.88 0.06 0.00 0.02 0.00 0.00 55.36 54.42 2dmf s GLN 29 Cb -0.07 -2.17 -0.03 0.00 1.00 0.00 0.00 33.01 31.74 2dmf s GLN 29 CO 0.00 0.45 -0.14 0.08 -2.12 0.00 0.00 175.29 173.57 2dmf s VAL 30 N -0.33 3.09 -0.02 1.09 1.01 -1.26 -0.22 120.40 123.75 2dmf s VAL 30 Ca 0.02 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.00 2dmf s VAL 30 Cb -0.12 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 2dmf s VAL 30 CO 0.02 0.36 -0.13 -0.63 0.00 0.00 0.00 175.10 174.73 2dmf s ILE 31 N -0.94 1.03 0.29 2.22 -1.09 0.29 -4.97 121.20 118.03 2dmf s ILE 31 Ca 0.15 -0.52 0.06 0.00 -2.23 0.00 0.00 60.65 58.11 2dmf s ILE 31 Cb -0.11 -0.89 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 2dmf s ILE 31 CO 0.06 0.30 0.39 -0.54 -1.23 0.00 0.00 174.94 173.92 2dmf s LYS 32 N -0.04 3.18 0.00 2.79 1.02 -1.26 -1.73 119.74 123.70 2dmf s LYS 32 Ca -0.00 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2dmf s LYS 32 Cb -0.08 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2dmf s LYS 32 CO 0.00 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.07 2dmf n GLY 33 N -1.49 4.87 3.34 -3.33 0.00 -1.25 -4.87 105.19 102.46 2dmf n GLY 33 Ca -0.04 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 2dmf n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmf s ASN 34 N -0.50 -0.35 0.00 1.61 2.47 -1.26 -4.90 114.94 112.00 2dmf s ASN 34 Ca 0.00 0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.60 2dmf s ASN 34 Cb 0.00 0.40 0.00 0.00 -1.45 0.00 0.00 41.25 40.20 2dmf s ASN 34 CO 0.00 -0.50 0.00 0.61 -3.72 0.00 0.00 177.10 173.49 2dmf n GLY 35 N 1.19 0.27 0.06 1.21 0.00 -1.26 -4.04 105.19 102.62 2dmf n GLY 35 Ca -0.21 -1.84 -0.01 0.00 0.00 0.00 0.00 46.02 43.97 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 0.00 -0.05 -0.59 1.61 -0.00 -2.06 -3.37 114.38 109.93 2dmf h ARG 36 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.49 2dmf h ARG 36 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 29.95 2dmf h ARG 36 CO 0.00 -0.03 0.38 1.79 0.00 0.00 0.00 179.97 182.11 2dmf h THR 37 N -0.79 1.13 -6.72 2.04 1.35 -2.00 -3.46 112.91 104.45 2dmf h THR 37 Ca -0.01 -0.27 -0.46 0.00 -0.55 0.00 0.00 66.41 65.13 2dmf h THR 37 Cb 0.04 0.29 -0.11 0.00 -1.73 0.00 0.00 68.15 66.63 2dmf h THR 37 CO 0.01 0.14 -0.73 -1.20 -0.25 0.00 0.00 175.52 173.49 2dmf n SER 38 N -4.69 -0.44 -4.74 5.36 7.64 -1.26 -3.70 113.62 111.79 2dmf n SER 38 Ca 0.04 -0.96 -0.41 0.00 1.01 0.00 0.00 58.87 58.55 2dmf n SER 38 Cb 0.03 -1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 62.02 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 -6.46 4.39 -0.37 1.43 0.04 -1.26 -4.46 135.00 128.31 2dmf s PRO 39 Ca 0.11 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 2dmf s PRO 39 Cb -0.06 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2dmf s PRO 39 CO 0.74 -0.24 0.42 -1.58 0.04 0.00 0.00 177.00 176.38 2dmf s TRP 40 N 0.08 3.19 -0.16 0.56 0.52 0.51 -3.79 118.94 119.85 2dmf s TRP 40 Ca 0.56 -0.10 -0.16 0.00 0.02 0.00 0.00 56.10 56.42 2dmf s TRP 40 Cb -0.36 -2.81 -0.04 0.00 -1.15 0.00 0.00 33.47 29.10 2dmf s TRP 40 CO 0.38 -0.55 0.41 -2.00 0.02 0.00 0.00 176.95 175.20 2dmf s GLU 41 N 2.15 4.27 0.02 4.98 2.56 -0.71 -0.70 118.70 131.28 2dmf s GLU 41 Ca 0.14 0.28 0.05 0.00 0.00 0.00 0.00 54.97 55.44 2dmf s GLU 41 Cb -0.16 -3.46 -0.02 0.00 2.00 0.00 0.00 34.13 32.48 2dmf s GLU 41 CO 0.13 0.12 -0.16 0.42 -0.56 0.00 0.00 175.26 175.21 2dmf s ILE 42 N 0.80 1.25 0.17 -3.70 1.01 0.08 0.10 121.20 120.91 2dmf s ILE 42 Ca 0.21 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 60.04 2dmf s ILE 42 Cb -0.14 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 2dmf s ILE 42 CO 0.08 0.18 -0.15 -0.31 0.00 0.00 0.00 174.94 174.74 2dmf s TYR 43 N -0.64 1.61 -0.29 3.97 2.02 0.70 -0.23 117.35 124.49 2dmf s TYR 43 Ca 0.04 -0.57 -0.25 0.00 -0.37 0.00 0.00 57.07 55.92 2dmf s TYR 43 Cb -0.07 -0.78 0.14 0.00 -0.40 0.00 0.00 41.96 40.84 2dmf s TYR 43 CO 0.01 0.27 1.13 -1.50 -1.57 0.00 0.00 175.55 173.89 2dmf s ILE 44 N -2.67 0.00 -0.37 2.71 2.07 -0.93 -0.53 121.20 121.48 2dmf s ILE 44 Ca 0.18 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.37 2dmf s ILE 44 Cb -0.02 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.64 2dmf s ILE 44 CO 0.05 0.00 0.16 -0.89 -1.91 0.00 0.00 174.94 172.35 2dmf s THR 45 N 0.20 3.55 0.57 4.00 2.01 -1.25 0.21 115.64 124.93 2dmf s THR 45 Ca 0.04 -1.58 -0.08 0.00 0.31 0.00 0.00 61.69 60.39 2dmf s THR 45 Cb -0.05 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 2dmf s THR 45 CO -0.09 -0.42 0.92 -0.76 -0.69 0.00 0.00 174.62 173.58 2dmf s LEU 46 N 1.28 3.37 -0.03 4.42 1.43 -1.12 -4.92 118.68 123.11 2dmf s LEU 46 Ca 0.02 1.08 -0.07 0.00 -1.03 0.00 0.00 54.13 54.13 2dmf s LEU 46 Cb -0.22 -4.03 0.01 0.00 0.03 0.00 0.00 46.19 41.98 2dmf s LEU 46 CO -0.01 -0.82 0.16 -1.00 0.23 0.00 0.00 176.35 174.91 2dmf s HIS 47 N -2.99 -0.06 0.80 0.29 3.76 -1.26 -3.88 115.29 111.95 2dmf s HIS 47 Ca 0.52 0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 55.44 2dmf s HIS 47 Cb -0.11 0.00 0.07 0.00 1.11 0.00 0.00 32.58 33.66 2dmf s HIS 47 CO 0.49 -0.22 1.09 -1.25 -0.85 0.00 0.00 174.74 174.00 2dmf s PRO 48 N -0.81 2.01 -0.09 8.40 0.04 -1.26 -4.92 135.00 138.38 2dmf s PRO 48 Ca -0.09 1.09 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2dmf s PRO 48 Cb -0.05 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.78 2dmf s PRO 48 CO 0.01 -1.80 1.09 0.00 0.04 0.00 0.00 177.00 176.34 2dmf n ALA 49 N -3.62 3.09 -1.14 8.56 0.00 -1.26 -4.92 120.51 121.22 2dmf n ALA 49 Ca 0.09 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 2dmf n ALA 49 Cb 0.54 -1.08 0.11 0.00 0.00 0.00 0.00 19.45 19.02 2dmf n ALA 49 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dmf s THR 50 N -0.92 2.44 -0.00 0.00 -4.23 -1.26 -4.98 115.64 106.69 2dmf s THR 50 Ca 0.13 0.18 -0.22 0.00 -1.18 0.00 0.00 61.69 60.59 2dmf s THR 50 Cb 0.10 -2.56 -0.12 0.00 1.34 0.00 0.00 72.50 71.26 2dmf s THR 50 CO 0.03 -0.15 0.95 0.00 -0.54 0.00 0.00 174.62 174.91 2dmf h ALA 51 N -0.90 -0.84 -1.68 3.99 0.00 -1.98 -3.08 119.26 114.77 2dmf h ALA 51 Ca -0.45 -0.18 0.50 0.00 0.00 0.00 0.00 54.91 54.78 2dmf h ALA 51 Cb 1.27 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 2dmf h ALA 51 CO 0.48 -0.78 1.19 0.39 0.00 0.00 0.00 179.25 180.53 2dmf n GLU 52 N -5.16 -0.01 -0.30 0.00 4.71 -1.26 0.25 120.64 118.87 2dmf n GLU 52 Ca -0.10 1.02 0.13 0.00 -0.01 0.00 0.00 57.16 58.20 2dmf n GLU 52 Cb 0.32 -2.27 0.27 0.00 -1.01 0.00 0.00 31.44 28.75 2dmf n GLU 52 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2dmf h ASP 53 N 0.00 -0.20 -1.04 1.62 1.82 -1.45 0.19 116.42 117.35 2dmf h ASP 53 Ca 0.84 0.22 0.35 0.00 -0.39 0.00 0.00 57.03 58.06 2dmf h ASP 53 Cb 3.25 0.35 -0.10 0.00 0.68 0.00 0.00 39.33 43.51 2dmf h ASP 53 CO -0.10 -0.23 0.68 0.00 -1.61 0.00 0.00 179.24 177.97 2dmf n GLN 54 N -5.33 -0.02 -0.04 0.28 10.64 0.14 -2.06 117.38 120.98 2dmf n GLN 54 Ca 0.21 0.91 -0.04 0.00 -1.83 0.00 0.00 57.00 56.24 2dmf n GLN 54 Cb 0.69 -1.81 -0.01 0.00 -0.86 0.00 0.00 30.24 28.24 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2dmf n ASP 55 N -4.09 0.94 -4.12 2.61 9.92 0.62 -5.08 116.55 117.35 2dmf n ASP 55 Ca 0.30 0.16 -0.08 0.00 -0.53 0.00 0.00 54.79 54.63 2dmf n ASP 55 Cb 1.17 -0.60 -0.10 0.00 -0.64 0.00 0.00 41.12 40.95 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 -4.96 0.40 -0.47 -2.24 0.01 -0.87 -5.12 113.70 100.44 2dmf s SER 56 Ca -0.14 -1.10 0.02 0.00 1.31 0.00 0.00 55.95 56.05 2dmf s SER 56 Cb 0.02 0.25 0.12 0.00 0.21 0.00 0.00 66.02 66.62 2dmf s SER 56 CO 0.20 -0.66 0.21 0.00 0.41 0.00 0.00 173.24 173.40 2dmf s GLN 57 N -3.98 1.91 0.15 12.44 0.00 -1.26 -3.05 119.66 125.87 2dmf s GLN 57 Ca 0.15 -2.31 -0.20 0.00 -0.00 0.00 0.00 55.36 53.00 2dmf s GLN 57 Cb 0.08 -3.37 0.04 0.00 0.00 0.00 0.00 33.01 29.76 2dmf s GLN 57 CO -0.04 -1.06 1.65 -0.92 0.00 0.00 0.00 175.29 174.92 2dmf h TYR 58 N 7.05 -0.43 -3.28 9.60 3.20 -1.97 -3.40 116.97 127.74 2dmf h TYR 58 Ca -0.06 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 61.27 2dmf h TYR 58 Cb 0.95 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.40 2dmf h TYR 58 CO 0.53 -0.25 -0.06 0.54 -1.64 0.00 0.00 178.16 177.29 2dmf s VAL 59 N -6.14 4.98 -0.26 1.81 0.11 -1.26 -4.61 120.40 115.02 2dmf s VAL 59 Ca -0.14 1.15 -0.26 0.00 -2.93 0.00 0.00 61.98 59.80 2dmf s VAL 59 Cb 0.13 -3.89 0.11 0.00 -1.53 0.00 0.00 36.38 31.20 2dmf s VAL 59 CO 0.69 0.42 0.95 0.00 -3.33 0.00 0.00 175.10 173.83 2dmf s PHE 61 N 0.11 0.11 -1.24 0.00 -0.71 -1.25 -1.69 117.98 113.31 2dmf s PHE 61 Ca 0.02 0.09 -0.18 0.00 -1.04 0.00 0.00 56.93 55.82 2dmf s PHE 61 Cb -0.04 -0.29 0.09 0.00 -1.21 0.00 0.00 43.02 41.56 2dmf s PHE 61 CO -0.04 -0.10 1.63 0.99 -1.34 0.00 0.00 175.22 176.36 2dmf s THR 62 N 1.08 4.26 -0.33 -4.49 2.01 -0.32 -2.81 115.64 115.03 2dmf s THR 62 Ca -0.09 -1.87 -0.35 0.00 0.31 0.00 0.00 61.69 59.69 2dmf s THR 62 Cb -0.13 -5.12 -0.12 0.00 0.01 0.00 0.00 72.50 67.14 2dmf s THR 62 CO -0.03 -1.94 2.16 -0.11 -0.69 0.00 0.00 174.62 174.01 2dmf n LEU 63 N 7.97 2.19 -4.72 4.42 0.00 0.57 -3.26 117.00 124.17 2dmf n LEU 63 Ca 0.44 0.47 -0.38 0.00 0.00 0.00 0.00 56.01 56.54 2dmf n LEU 63 Cb 0.46 -1.26 -0.06 0.00 0.00 0.00 0.00 43.42 42.56 2dmf n LEU 63 CO 0.72 -0.69 0.17 -0.69 0.00 0.00 0.00 177.39 176.90 2dmf s VAL 64 N 7.01 5.19 -0.29 1.96 1.01 -0.70 -2.18 120.40 132.40 2dmf s VAL 64 Ca 1.08 0.94 0.01 0.00 0.00 0.00 0.00 61.98 64.02 2dmf s VAL 64 Cb -0.86 -3.81 0.09 0.00 0.00 0.00 0.00 36.38 31.79 2dmf s VAL 64 CO 0.50 0.33 0.04 -0.76 0.00 0.00 0.00 175.10 175.20 2dmf s LEU 65 N 0.62 2.93 -0.49 3.92 1.43 0.68 -2.79 118.68 124.98 2dmf s LEU 65 Ca 0.26 -1.58 -0.17 0.00 -1.03 0.00 0.00 54.13 51.61 2dmf s LEU 65 Cb -0.15 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.00 2dmf s LEU 65 CO 0.10 -0.34 0.47 -1.58 0.23 0.00 0.00 176.35 175.23 2dmf s GLN 66 N 1.38 3.02 -0.46 1.70 0.74 -0.96 -0.74 119.66 124.34 2dmf s GLN 66 Ca 0.05 -1.27 -0.23 0.00 0.05 0.00 0.00 55.36 53.96 2dmf s GLN 66 Cb -0.18 -4.14 0.03 0.00 1.10 0.00 0.00 33.01 29.81 2dmf s GLN 66 CO -0.14 -1.12 0.78 0.08 -0.55 0.00 0.00 175.29 174.35 2dmf s VAL 67 N 1.92 4.64 0.00 1.34 1.01 0.12 -0.68 120.40 128.76 2dmf s VAL 67 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2dmf s VAL 67 Cb -0.23 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.81 2dmf s VAL 67 CO 0.08 -0.76 0.00 -0.81 0.00 0.00 0.00 175.10 173.61 2dmf n PRO 68 N 6.74 -0.68 0.08 2.72 -0.04 -1.26 -0.36 135.00 142.20 2dmf n PRO 68 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.35 2dmf n PRO 68 Cb 0.48 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 0.25 -0.59 0.55 0.00 -1.87 -3.32 119.26 112.29 2dmf h ALA 69 Ca 0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 54.91 53.87 2dmf h ALA 69 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2dmf h ALA 69 CO 0.00 1.13 0.04 0.93 0.00 0.00 0.00 179.25 181.35 2dmf h GLU 70 N 0.04 1.01 -3.56 0.00 4.39 -1.90 -3.46 114.58 111.10 2dmf h GLU 70 Ca -0.11 -0.30 -0.39 0.00 0.34 0.00 0.00 59.36 58.90 2dmf h GLU 70 Cb 1.91 -0.10 0.07 0.00 -0.10 0.00 0.00 28.75 30.53 2dmf h GLU 70 CO 0.16 0.98 -0.38 0.98 -1.16 0.00 0.00 179.01 179.59 2dmf n TYR 71 N -4.26 -0.54 0.20 4.33 4.19 -1.24 -2.03 117.16 117.81 2dmf n TYR 71 Ca 0.03 0.52 0.07 0.00 3.31 0.00 0.00 57.90 61.83 2dmf n TYR 71 Cb 0.31 -1.14 0.43 0.00 0.49 0.00 0.00 39.34 39.43 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 0.49 0.00 -0.49 2.98 0.13 -1.88 -3.44 132.00 129.79 2dmf h PRO 72 Ca -0.18 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.15 2dmf h PRO 72 Cb 0.86 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.90 2dmf h PRO 72 CO 0.32 0.32 0.25 0.72 -0.23 0.00 0.00 178.00 179.37 2dmf n HIS 73 N -3.65 0.55 -4.56 1.56 8.25 -0.86 -3.68 115.22 112.83 2dmf n HIS 73 Ca -0.01 0.57 -0.33 0.00 -0.26 0.00 0.00 57.72 57.69 2dmf n HIS 73 Cb 0.43 -1.01 -0.14 0.00 1.12 0.00 0.00 29.99 30.39 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 -4.78 3.43 0.45 -0.41 2.12 -1.25 -4.74 118.70 113.54 2dmf s GLU 74 Ca -0.05 -0.65 -0.25 0.00 0.36 0.00 0.00 54.97 54.39 2dmf s GLU 74 Cb 0.16 -2.74 -0.08 0.00 0.26 0.00 0.00 34.13 31.74 2dmf s GLU 74 CO 0.38 0.15 1.34 0.14 -0.54 0.00 0.00 175.26 176.73 2dmf s VAL 75 N 0.54 2.37 0.17 3.70 -7.23 -1.24 -3.68 120.40 115.02 2dmf s VAL 75 Ca -0.07 0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 2dmf s VAL 75 Cb -0.15 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.53 2dmf s VAL 75 CO 0.03 0.03 1.32 -2.16 -0.31 0.00 0.00 175.10 174.02 2dmf s PRO 76 N -2.49 4.37 -0.35 4.82 0.04 -1.26 -4.79 135.00 135.35 2dmf s PRO 76 Ca 0.62 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2dmf s PRO 76 Cb -0.40 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 2dmf s PRO 76 CO 0.50 -0.30 2.30 0.94 0.04 0.00 0.00 177.00 180.47 2dmf n GLN 77 N 3.08 1.49 -3.23 4.56 7.27 0.15 -4.63 117.38 126.06 2dmf n GLN 77 Ca 0.08 0.31 -0.39 0.00 0.07 0.00 0.00 57.00 57.08 2dmf n GLN 77 Cb 0.43 -3.13 -0.06 0.00 2.41 0.00 0.00 30.24 29.89 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 9.42 5.14 -0.16 1.69 1.01 -1.26 -2.25 121.20 134.79 2dmf s ILE 78 Ca 1.03 1.09 -0.13 0.00 0.00 0.00 0.00 60.65 62.64 2dmf s ILE 78 Cb -0.39 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.24 2dmf s ILE 78 CO 0.35 0.29 0.40 -0.44 0.00 0.00 0.00 174.94 175.54 2dmf s SER 79 N 0.73 -0.44 -0.20 3.58 0.01 -1.12 -5.02 113.70 111.24 2dmf s SER 79 Ca 0.29 0.83 -0.24 0.00 1.31 0.00 0.00 55.95 58.14 2dmf s SER 79 Cb -0.16 0.81 -0.01 0.00 0.21 0.00 0.00 66.02 66.87 2dmf s SER 79 CO 0.12 -0.15 0.79 -0.63 0.41 0.00 0.00 173.24 173.78 2dmf s ILE 80 N 0.51 4.89 -0.09 1.44 -1.09 -1.26 -1.72 121.20 123.88 2dmf s ILE 80 Ca -0.02 1.51 0.02 0.00 -2.23 0.00 0.00 60.65 59.93 2dmf s ILE 80 Cb -0.04 -4.09 -0.02 0.00 -1.58 0.00 0.00 42.46 36.73 2dmf s ILE 80 CO -0.03 0.01 -0.16 -0.60 -1.23 0.00 0.00 174.94 172.93 2dmf s ARG 81 N 2.37 2.98 -1.19 2.79 3.52 -1.20 -4.68 118.95 123.54 2dmf s ARG 81 Ca 0.35 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2dmf s ARG 81 Cb -0.16 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 2dmf s ARG 81 CO 0.10 0.36 0.92 0.09 -0.81 0.00 0.00 175.30 175.96 2dmf n ASN 82 N 3.07 -2.83 -4.59 -2.12 5.03 -1.26 -1.18 115.26 111.38 2dmf n ASN 82 Ca -0.18 -0.69 -0.42 0.00 0.87 0.00 0.00 54.58 54.17 2dmf n ASN 82 Cb 0.52 -4.88 -0.03 0.00 -1.02 0.00 0.00 39.78 34.38 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2dmf s PRO 83 N -5.32 3.18 -0.16 3.52 0.04 -1.26 -4.43 135.00 130.56 2dmf s PRO 83 Ca 0.10 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2dmf s PRO 83 Cb -0.02 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 2dmf s PRO 83 CO 0.75 -2.06 0.11 0.50 0.04 0.00 0.00 177.00 176.34 2dmf s ARG 84 N 5.93 3.78 0.00 4.56 6.06 -0.68 -4.50 118.95 134.09 2dmf s ARG 84 Ca 0.73 -0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.73 2dmf s ARG 84 Cb -0.18 -3.24 0.00 0.00 0.06 0.00 0.00 34.95 31.59 2dmf s ARG 84 CO 0.30 0.50 0.00 0.41 -2.50 0.00 0.00 175.30 174.00 2dmf n GLY 85 N 2.87 1.15 3.78 8.12 0.00 -1.26 -3.37 105.19 116.47 2dmf n GLY 85 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 3.62 0.29 0.99 1.43 -1.26 -4.36 118.68 119.39 2dmf s LEU 86 Ca 0.00 2.08 0.09 0.00 -1.03 0.00 0.00 54.13 55.27 2dmf s LEU 86 Cb 0.00 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2dmf s LEU 86 CO 0.00 -1.32 0.00 -0.55 0.23 0.00 0.00 176.35 174.71 2dmf s SER 87 N -2.12 4.41 0.34 2.29 0.15 -1.26 -4.90 113.70 112.61 2dmf s SER 87 Ca 0.70 -0.76 0.10 0.00 0.70 0.00 0.00 55.95 56.69 2dmf s SER 87 Cb -0.22 -0.72 1.02 0.00 -1.71 0.00 0.00 66.02 64.39 2dmf s SER 87 CO 0.32 -0.09 1.57 -2.24 1.20 0.00 0.00 173.24 174.00 2dmf h ASP 88 N 1.85 -0.14 0.89 5.45 3.04 -1.98 0.28 116.42 125.81 2dmf h ASP 88 Ca -0.43 0.27 -0.04 0.00 -3.24 0.00 0.00 57.03 53.59 2dmf h ASP 88 Cb 1.25 0.40 0.01 0.00 -1.04 0.00 0.00 39.33 39.95 2dmf h ASP 88 CO 0.62 -0.40 -0.43 -0.08 -2.04 0.00 0.00 179.24 176.92 2dmf h GLU 89 N 0.00 -1.15 -0.18 4.15 4.57 -2.00 -1.49 114.58 118.48 2dmf h GLU 89 Ca 0.71 0.08 0.05 0.00 -1.18 0.00 0.00 59.36 59.02 2dmf h GLU 89 Cb 1.68 0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 30.47 2dmf h GLU 89 CO -0.86 -0.77 -0.20 1.96 -1.18 0.00 0.00 179.01 177.95 2dmf h GLN 90 N -1.32 -0.22 -0.52 1.92 1.08 -1.28 -2.12 115.11 112.64 2dmf h GLN 90 Ca -0.12 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.20 2dmf h GLN 90 Cb 0.92 0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.31 2dmf h GLN 90 CO 0.20 -0.15 -0.05 0.82 -0.95 0.00 0.00 178.83 178.70 2dmf h ILE 91 N -0.23 0.54 -0.68 2.54 2.04 -0.58 -1.18 117.51 119.95 2dmf h ILE 91 Ca 0.12 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.10 2dmf h ILE 91 Cb 0.41 0.47 -0.13 0.00 -0.74 0.00 0.00 36.82 36.83 2dmf h ILE 91 CO -0.32 0.01 -0.11 -0.74 0.00 0.00 0.00 178.15 177.00 2dmf h HIS 92 N 0.06 -0.25 0.28 1.37 2.76 -0.58 -1.24 115.15 117.55 2dmf h HIS 92 Ca 0.26 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.48 2dmf h HIS 92 Cb 0.40 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2dmf h HIS 92 CO -0.37 -0.26 -0.18 1.15 -1.30 0.00 0.00 177.93 176.96 2dmf h THR 93 N 0.03 0.61 -0.82 6.26 2.02 -1.01 -2.24 112.91 117.76 2dmf h THR 93 Ca 0.34 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.70 2dmf h THR 93 Cb 0.55 0.61 -0.15 0.00 -1.74 0.00 0.00 68.15 67.42 2dmf h THR 93 CO -0.67 0.00 -0.13 0.40 0.37 0.00 0.00 175.52 175.50 2dmf h ILE 94 N -0.46 0.20 0.81 3.11 2.04 -0.71 -0.36 117.51 122.14 2dmf h ILE 94 Ca -0.03 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 2dmf h ILE 94 Cb 0.38 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2dmf h ILE 94 CO 0.02 0.00 -0.39 -0.07 0.00 0.00 0.00 178.15 177.72 2dmf h LEU 95 N 0.03 -0.92 -0.87 1.44 3.38 -1.14 -0.41 115.31 116.82 2dmf h LEU 95 Ca 0.42 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.57 2dmf h LEU 95 Cb 0.70 0.24 -0.15 0.00 0.09 0.00 0.00 40.66 41.54 2dmf h LEU 95 CO -0.81 -0.65 -0.35 1.56 0.09 0.00 0.00 178.44 178.29 2dmf h GLN 96 N -1.09 -0.04 0.46 1.13 1.08 -0.73 0.17 115.11 116.08 2dmf h GLN 96 Ca -0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2dmf h GLN 96 Cb 0.83 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2dmf h GLN 96 CO 0.18 -0.03 -0.25 0.28 -0.95 0.00 0.00 178.83 178.06 2dmf h VAL 97 N -0.05 0.00 -0.96 -0.54 2.07 -1.03 -1.75 116.25 113.99 2dmf h VAL 97 Ca 0.33 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.16 2dmf h VAL 97 Cb 0.60 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.20 2dmf h VAL 97 CO -0.89 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 176.92 2dmf h LEU 98 N -0.66 -0.01 -0.22 2.57 3.38 -0.35 0.32 115.31 120.33 2dmf h LEU 98 Ca -0.06 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2dmf h LEU 98 Cb 0.52 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2dmf h LEU 98 CO 0.08 -0.30 0.12 1.23 0.09 0.00 0.00 178.44 179.66 2dmf h GLY 99 N 0.10 0.34 -0.13 0.83 0.00 -0.46 -2.89 103.07 100.86 2dmf h GLY 99 Ca 0.67 -0.16 0.17 0.00 0.00 0.00 0.00 47.33 48.01 2dmf h GLY 99 CO -0.77 0.15 0.16 0.84 0.00 0.00 0.00 176.54 176.92 2dmf h HIS 100 N 0.24 0.23 -0.64 5.60 -0.00 0.55 0.49 115.15 121.63 2dmf h HIS 100 Ca 0.08 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.58 2dmf h HIS 100 Cb 0.08 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.44 2dmf h HIS 100 CO -0.03 -0.11 0.29 0.28 -0.00 0.00 0.00 177.93 178.35 2dmf h VAL 101 N 0.24 0.84 0.82 5.26 2.07 -1.27 -1.41 116.25 122.79 2dmf h VAL 101 Ca 0.42 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2dmf h VAL 101 Cb 0.73 0.28 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2dmf h VAL 101 CO -0.54 0.09 -0.39 0.00 0.02 0.00 0.00 177.57 176.75 2dmf h ALA 102 N 1.40 -1.25 -1.01 1.67 0.00 -0.86 -0.10 119.26 119.11 2dmf h ALA 102 Ca 0.31 -0.24 0.30 0.00 0.00 0.00 0.00 54.91 55.28 2dmf h ALA 102 Cb 0.32 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 2dmf h ALA 102 CO -0.26 -1.17 0.59 0.87 0.00 0.00 0.00 179.25 179.28 2dmf h LYS 103 N -1.14 0.39 0.00 0.00 1.57 -1.19 1.15 116.57 117.34 2dmf h LYS 103 Ca -0.11 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 2dmf h LYS 103 Cb 0.84 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2dmf h LYS 103 CO 0.18 0.26 -0.49 0.00 -0.57 0.00 0.00 179.45 178.84 2dmf h ALA 104 N 1.80 0.93 -0.85 3.86 0.00 -1.05 -3.18 119.26 120.76 2dmf h ALA 104 Ca 0.71 -0.44 -0.58 0.00 0.00 0.00 0.00 54.91 54.59 2dmf h ALA 104 Cb 1.56 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 18.95 2dmf h ALA 104 CO -0.55 0.61 0.19 0.41 0.00 0.00 0.00 179.25 179.90 2dmf n GLY 105 N 0.38 5.90 3.78 0.00 0.00 0.38 -5.03 105.19 110.60 2dmf n GLY 105 Ca -0.00 -2.27 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.67 3.54 0.00 0.99 1.43 -0.51 -3.35 118.68 117.12 2dmf s LEU 106 Ca 0.58 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2dmf s LEU 106 Cb 0.46 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 42.13 2dmf s LEU 106 CO 0.01 -1.33 0.00 0.61 0.23 0.00 0.00 176.35 175.88 2dmf n GLY 107 N -0.49 2.00 3.69 -3.19 0.00 -1.25 -4.94 105.19 101.01 2dmf n GLY 107 Ca 0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.21 2.96 0.19 2.61 -4.23 -1.21 -4.69 115.64 111.06 2dmf s THR 108 Ca 0.00 -1.82 -0.32 0.00 -1.18 0.00 0.00 61.69 58.37 2dmf s THR 108 Cb 0.00 -2.90 -0.15 0.00 1.34 0.00 0.00 72.50 70.79 2dmf s THR 108 CO 0.00 -0.22 1.24 0.00 -0.54 0.00 0.00 174.62 175.10 2dmf n ALA 109 N -1.05 -0.19 0.00 3.99 0.00 -1.26 -4.86 120.51 117.14 2dmf n ALA 109 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2dmf n ALA 109 Cb 0.61 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2dmf n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dmf n MET 110 N 1.85 0.19 -0.05 0.00 3.85 -1.26 -4.87 117.12 116.83 2dmf n MET 110 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 57.70 56.83 2dmf n MET 110 Cb 0.27 -0.63 -0.01 0.00 -1.05 0.00 0.00 33.22 31.80 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 -1.59 -0.12 -0.37 3.17 4.77 -1.26 0.48 117.00 122.08 2dmf n LEU 111 Ca 0.00 0.75 0.01 0.00 -0.03 0.00 0.00 56.01 56.73 2dmf n LEU 111 Cb 0.13 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 40.98 2dmf n LEU 111 CO 0.00 -0.44 0.61 0.22 -1.33 0.00 0.00 177.39 176.45 2dmf h TYR 112 N 0.00 -0.95 0.85 -1.77 5.03 -1.96 -1.00 116.97 117.17 2dmf h TYR 112 Ca 0.02 0.10 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 2dmf h TYR 112 Cb 0.05 0.56 0.01 0.00 1.55 0.00 0.00 36.73 38.90 2dmf h TYR 112 CO -0.63 -0.41 -0.41 0.93 -1.32 0.00 0.00 178.16 176.32 2dmf h GLU 113 N -0.00 -1.10 -0.80 1.82 3.07 -0.31 -2.83 114.58 114.43 2dmf h GLU 113 Ca 0.38 0.08 0.30 0.00 -0.50 0.00 0.00 59.36 59.61 2dmf h GLU 113 Cb 0.63 0.25 -0.15 0.00 -0.84 0.00 0.00 28.75 28.64 2dmf h GLU 113 CO -0.99 -0.73 0.29 1.28 -1.40 0.00 0.00 179.01 177.46 2dmf n LEU 114 N -5.14 0.16 0.08 1.33 4.77 0.11 0.13 117.00 118.45 2dmf n LEU 114 Ca -0.14 1.34 -0.13 0.00 -0.03 0.00 0.00 56.01 57.04 2dmf n LEU 114 Cb 0.45 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 2dmf n LEU 114 CO 0.34 -1.45 0.76 0.40 -1.33 0.00 0.00 177.39 176.11 2dmf h ILE 115 N 0.00 0.96 -0.34 -0.08 2.04 -1.05 -3.05 117.51 116.00 2dmf h ILE 115 Ca 0.61 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 66.25 2dmf h ILE 115 Cb 1.53 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 38.67 2dmf h ILE 115 CO -0.66 0.07 -0.36 -0.33 0.00 0.00 0.00 178.15 176.87 2dmf h GLU 116 N -0.29 -0.31 -0.70 2.37 4.39 0.13 -1.74 114.58 118.43 2dmf h GLU 116 Ca -0.02 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.82 2dmf h GLU 116 Cb 0.24 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 28.83 2dmf h GLU 116 CO 0.03 -0.20 -0.35 -0.22 -1.16 0.00 0.00 179.01 177.10 2dmf h LYS 117 N -0.32 -0.11 -0.94 2.33 1.63 -1.40 0.95 116.57 118.71 2dmf h LYS 117 Ca 0.14 0.01 0.25 0.00 -0.85 0.00 0.00 60.65 60.20 2dmf h LYS 117 Cb 0.56 0.03 -0.17 0.00 -0.60 0.00 0.00 32.23 32.05 2dmf h LYS 117 CO -0.51 -0.08 0.07 0.78 -3.45 0.00 0.00 179.45 176.27 2dmf h GLY 118 N -0.12 1.23 0.74 5.01 0.00 -1.20 0.51 103.07 109.24 2dmf h GLY 118 Ca 0.26 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2dmf h GLY 118 CO -0.77 -0.47 -0.35 0.50 0.00 0.00 0.00 176.54 175.46 2dmf h LYS 119 N 0.05 -0.77 0.38 4.80 1.57 -0.74 -2.53 116.57 119.32 2dmf h LYS 119 Ca 0.57 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2dmf h LYS 119 Cb 1.16 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 2dmf h LYS 119 CO -0.84 -0.52 -0.46 0.93 -0.57 0.00 0.00 179.45 177.99 2dmf h GLU 120 N -0.80 -0.84 -0.80 3.15 4.39 -0.82 -1.69 114.58 117.16 2dmf h GLU 120 Ca -0.05 0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.78 2dmf h GLU 120 Cb 0.69 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.43 2dmf h GLU 120 CO 0.00 -0.56 -0.47 -0.89 -1.16 0.00 0.00 179.01 175.93 2dmf n ILE 121 N -5.52 -0.55 0.01 3.13 5.41 -0.06 -0.46 119.36 121.31 2dmf n ILE 121 Ca -0.10 2.08 -0.10 0.00 1.00 0.00 0.00 62.75 65.63 2dmf n ILE 121 Cb 0.43 -2.58 -0.03 0.00 -0.71 0.00 0.00 39.64 36.74 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 -0.69 -0.91 1.39 6.46 -1.29 -1.47 115.31 118.81 2dmf h LEU 122 Ca 0.13 0.11 0.36 0.00 -0.12 0.00 0.00 57.88 58.36 2dmf h LEU 122 Cb 0.33 0.31 -0.14 0.00 -0.73 0.00 0.00 40.66 40.43 2dmf h LEU 122 CO -0.75 -0.28 0.52 0.41 -0.62 0.00 0.00 178.44 177.72 2dmf n THR 123 N -5.36 -0.31 0.05 1.05 -1.04 0.39 0.17 114.28 109.24 2dmf n THR 123 Ca -0.03 1.63 -0.07 0.00 -2.04 0.00 0.00 64.05 63.54 2dmf n THR 123 Cb 0.27 -2.66 -0.05 0.00 -1.82 0.00 0.00 70.33 66.07 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 -0.20 -1.09 8.00 3.58 -0.91 -3.33 116.42 122.48 2dmf h ASP 124 Ca 0.71 -0.21 -0.53 0.00 0.42 0.00 0.00 57.03 57.42 2dmf h ASP 124 Cb 1.98 0.05 -0.20 0.00 1.72 0.00 0.00 39.33 42.88 2dmf h ASP 124 CO -0.57 0.35 0.57 -0.46 -2.88 0.00 0.00 179.24 176.25 2dmf n ASN 125 N -4.92 6.81 -0.01 2.28 0.23 0.11 -4.58 115.26 115.17 2dmf n ASN 125 Ca -0.06 -3.35 -0.13 0.00 -0.53 0.00 0.00 54.58 50.51 2dmf n ASN 125 Cb 0.20 -1.14 -0.09 0.00 -2.08 0.00 0.00 39.78 36.67 2dmf n ASN 125 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 2dmf h ASN 126 N 2.54 0.03 -3.55 0.53 -0.73 -0.39 -3.44 115.58 110.57 2dmf h ASN 126 Ca 0.43 -0.41 -0.54 0.00 1.87 0.00 0.00 56.30 57.65 2dmf h ASN 126 Cb 0.65 -0.01 0.10 0.00 0.27 0.00 0.00 38.32 39.33 2dmf h ASN 126 CO 1.03 0.43 0.84 -0.38 -0.37 0.00 0.00 177.43 178.99 2dmf n ILE 127 N -4.87 1.43 -1.67 2.57 5.41 -1.26 -4.93 119.36 116.04 2dmf n ILE 127 Ca -0.08 -0.36 -0.33 0.00 1.00 0.00 0.00 62.75 62.98 2dmf n ILE 127 Cb 0.22 -1.97 0.05 0.00 -0.71 0.00 0.00 39.64 37.23 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 -1.18 2.71 0.16 0.38 0.04 -1.26 -4.95 135.00 130.91 2dmf s PRO 128 Ca 0.59 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 2dmf s PRO 128 Cb -0.49 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.00 2dmf s PRO 128 CO 0.55 -1.32 1.79 -3.38 0.04 0.00 0.00 177.00 174.68 2dmf s HIS 129 N -2.43 2.48 0.00 0.56 -3.43 -1.26 -4.97 115.29 106.24 2dmf s HIS 129 Ca 0.66 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 2dmf s HIS 129 Cb -0.20 -4.17 0.00 0.00 -1.43 0.00 0.00 32.58 26.78 2dmf s HIS 129 CO 0.44 -4.66 0.00 0.41 -2.00 0.00 0.00 174.74 168.93 2dmf n GLY 130 N 4.13 0.33 3.73 -1.38 0.00 -1.26 -5.01 105.19 105.72 2dmf n GLY 130 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2dmf n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmf n GLN 131 N 0.00 2.42 -2.24 1.61 10.64 -1.26 -4.90 117.38 123.65 2dmf n GLN 131 Ca 0.00 0.86 -0.43 0.00 -1.83 0.00 0.00 57.00 55.60 2dmf n GLN 131 Cb 0.00 -2.55 -0.02 0.00 -0.86 0.00 0.00 30.24 26.81 2dmf n GLN 131 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2dmf s SER 132 N 0.08 6.80 0.00 2.61 1.04 -1.26 -4.79 113.70 118.18 2dmf s SER 132 Ca 0.60 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.92 2dmf s SER 132 Cb -0.54 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.05 2dmf s SER 132 CO 0.56 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2dmf n GLY 133 N 3.89 3.80 3.61 7.32 0.00 -1.26 -5.04 105.19 117.51 2dmf n GLY 133 Ca 0.15 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2dmf n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmf s PRO 134 N -5.51 3.47 0.25 1.61 0.04 -1.26 -4.89 135.00 128.71 2dmf s PRO 134 Ca 0.00 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 62.33 2dmf s PRO 134 Cb 0.00 -4.13 0.42 0.00 0.04 0.00 0.00 34.50 30.83 2dmf s PRO 134 CO 0.00 -1.69 1.62 0.77 0.04 0.00 0.00 177.00 177.74 2dmf h SER 135 N 12.00 -0.49 -3.34 6.66 0.02 -1.96 -3.38 113.55 123.06 2dmf h SER 135 Ca -0.32 0.22 -0.56 0.00 -0.84 0.00 0.00 61.79 60.29 2dmf h SER 135 Cb 1.15 0.40 -0.04 0.00 0.14 0.00 0.00 62.40 64.06 2dmf h SER 135 CO 1.04 -0.22 -0.02 -0.94 -1.14 0.00 0.00 176.83 175.55 2dmf s SER 136 N -5.19 6.99 0.00 3.07 1.04 -1.26 -5.31 113.70 113.03 2dmf s SER 136 Ca -0.14 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2dmf s SER 136 Cb 0.23 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 64.00 2dmf s SER 136 CO 0.76 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.75