#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 0.64 0.28 1.61 0.01 -1.26 -5.14 113.70 109.84 2dmf s SER 2 Ca 0.00 -1.44 -0.29 0.00 1.31 0.00 0.00 55.95 55.52 2dmf s SER 2 Cb 0.00 0.49 -0.10 0.00 0.21 0.00 0.00 66.02 66.63 2dmf s SER 2 CO 0.00 -1.00 1.35 -0.94 0.41 0.00 0.00 173.24 173.05 2dmf s SER 3 N -3.21 6.76 0.00 2.44 1.04 -1.26 -4.77 113.70 114.71 2dmf s SER 3 Ca 0.36 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.41 2dmf s SER 3 Cb 0.04 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2dmf s SER 3 CO 0.17 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2dmf n GLY 4 N 1.58 -0.03 3.48 7.32 0.00 -1.26 -5.04 105.19 111.24 2dmf n GLY 4 Ca 0.03 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.35 6.86 -0.42 1.61 1.04 -1.26 -4.94 113.70 115.24 2dmf s SER 5 Ca 0.00 -2.50 -0.04 0.00 0.48 0.00 0.00 55.95 53.88 2dmf s SER 5 Cb 0.00 -2.44 0.11 0.00 0.10 0.00 0.00 66.02 63.79 2dmf s SER 5 CO 0.00 -0.97 0.22 -0.55 0.98 0.00 0.00 173.24 172.93 2dmf s SER 6 N 3.45 5.33 -0.50 7.02 0.15 -1.26 -5.02 113.70 122.87 2dmf s SER 6 Ca 0.42 -1.97 0.03 0.00 0.70 0.00 0.00 55.95 55.13 2dmf s SER 6 Cb -0.02 -1.86 0.14 0.00 -1.71 0.00 0.00 66.02 62.57 2dmf s SER 6 CO -0.02 -0.56 0.30 -0.83 1.20 0.00 0.00 173.24 173.33 2dmf s GLY 7 N 1.96 2.01 0.36 9.45 0.00 -1.26 -5.08 107.32 114.76 2dmf s GLY 7 Ca 0.07 -2.95 -0.17 0.00 0.00 0.00 0.00 44.72 41.68 2dmf s GLY 7 CO -0.03 1.42 0.79 -1.83 0.00 0.00 0.00 173.10 173.44 2dmf s GLU 8 N -0.15 2.13 -0.02 2.90 -1.05 -1.26 -5.07 118.70 116.19 2dmf s GLU 8 Ca 0.21 -1.34 -0.20 0.00 -0.15 0.00 0.00 54.97 53.48 2dmf s GLU 8 Cb -0.18 0.61 -0.29 0.00 -0.44 0.00 0.00 34.13 33.83 2dmf s GLU 8 CO -0.05 -0.99 0.98 0.93 0.95 0.00 0.00 175.26 177.07 2dmf h GLU 9 N 2.00 0.38 -4.39 -4.83 5.08 -2.07 -3.46 114.58 107.29 2dmf h GLU 9 Ca -0.30 -0.55 -0.60 0.00 -1.00 0.00 0.00 59.36 56.91 2dmf h GLU 9 Cb 1.25 0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.72 2dmf h GLU 9 CO 0.38 1.23 0.20 -0.25 -1.00 0.00 0.00 179.01 179.57 2dmf n ASP 10 N -4.09 0.29 -3.28 1.42 8.00 -1.26 -4.93 116.55 112.70 2dmf n ASP 10 Ca -0.13 0.86 0.03 0.00 0.71 0.00 0.00 54.79 56.26 2dmf n ASP 10 Cb 0.82 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 2dmf n ASP 10 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2dmf s TRP 11 N 0.72 -0.77 -0.25 1.24 -0.00 -1.26 -5.03 118.94 113.60 2dmf s TRP 11 Ca 0.70 1.07 0.18 0.00 -0.00 0.00 0.00 56.10 58.04 2dmf s TRP 11 Cb -0.98 0.36 0.13 0.00 -0.00 0.00 0.00 33.47 32.98 2dmf s TRP 11 CO 0.48 -0.40 1.43 -0.39 -0.00 0.00 0.00 176.95 178.07 2dmf h VAL 12 N 5.52 0.53 -0.54 5.86 -1.51 -1.92 -3.32 116.25 120.87 2dmf h VAL 12 Ca -0.16 -1.77 0.11 0.00 -1.23 0.00 0.00 66.70 63.65 2dmf h VAL 12 Cb 1.14 2.22 -0.11 0.00 -2.13 0.00 0.00 31.29 32.42 2dmf h VAL 12 CO 0.04 0.30 -0.18 0.25 -1.23 0.00 0.00 177.57 176.76 2dmf h LEU 13 N 0.00 -0.64 -0.38 4.19 7.12 -1.96 0.04 115.31 123.68 2dmf h LEU 13 Ca -0.01 0.18 -0.16 0.00 0.13 0.00 0.00 57.88 58.01 2dmf h LEU 13 Cb 1.26 0.38 -0.01 0.00 -0.53 0.00 0.00 40.66 41.77 2dmf h LEU 13 CO 0.04 -0.21 -0.38 1.55 -0.13 0.00 0.00 178.44 179.30 2dmf h PRO 14 N -0.05 0.94 -0.33 5.25 0.13 -2.00 -2.91 132.00 133.03 2dmf h PRO 14 Ca 0.26 -0.50 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2dmf h PRO 14 Cb 0.44 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 2dmf h PRO 14 CO -0.58 1.15 0.10 0.77 -0.23 0.00 0.00 178.00 179.21 2dmf h SER 15 N 0.76 0.09 -0.88 1.44 0.02 -1.40 -2.05 113.55 111.52 2dmf h SER 15 Ca 0.06 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2dmf h SER 15 Cb 0.98 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 2dmf h SER 15 CO 0.10 0.09 0.47 -0.08 -1.14 0.00 0.00 176.83 176.26 2dmf h GLU 16 N 0.23 1.24 -0.80 3.45 4.57 -1.05 -2.61 114.58 119.61 2dmf h GLU 16 Ca 0.15 -0.16 0.09 0.00 -1.18 0.00 0.00 59.36 58.26 2dmf h GLU 16 Cb 0.14 -0.24 -0.07 0.00 -0.16 0.00 0.00 28.75 28.42 2dmf h GLU 16 CO -0.17 0.92 0.46 0.28 -1.18 0.00 0.00 179.01 179.32 2dmf h VAL 17 N 1.24 0.93 -0.48 0.32 2.07 -1.18 -0.88 116.25 118.27 2dmf h VAL 17 Ca 0.31 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.66 2dmf h VAL 17 Cb 0.05 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 2dmf h VAL 17 CO -0.05 0.14 -0.21 -0.33 0.02 0.00 0.00 177.57 177.15 2dmf h GLU 18 N 0.79 -0.10 0.00 1.57 5.08 -1.03 0.66 114.58 121.54 2dmf h GLU 18 Ca 0.38 0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.65 2dmf h GLU 18 Cb 0.32 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2dmf h GLU 18 CO -0.23 -0.07 -0.45 -0.24 -1.00 0.00 0.00 179.01 177.02 2dmf h VAL 19 N -0.10 1.10 0.00 3.13 3.04 -1.48 -2.90 116.25 119.04 2dmf h VAL 19 Ca 0.23 -1.68 -0.13 0.00 -1.01 0.00 0.00 66.70 64.11 2dmf h VAL 19 Cb 0.46 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.68 2dmf h VAL 19 CO -0.55 0.44 -0.62 -0.07 -1.01 0.00 0.00 177.57 175.77 2dmf h LEU 20 N 0.00 0.00 -0.35 3.16 3.38 0.58 -3.04 115.31 119.04 2dmf h LEU 20 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2dmf h LEU 20 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2dmf h LEU 20 CO 0.06 0.62 -0.82 -0.33 0.09 0.00 0.00 178.44 178.06 2dmf h GLU 21 N 0.00 0.23 -0.00 1.13 5.08 0.38 0.34 114.58 121.73 2dmf h GLU 21 Ca -0.01 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 2dmf h GLU 21 Cb 1.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2dmf h GLU 21 CO 0.08 0.93 -0.50 0.77 -1.00 0.00 0.00 179.01 179.29 2dmf h SER 22 N 0.14 0.01 0.00 1.42 0.02 -1.47 0.19 113.55 113.86 2dmf h SER 22 Ca -0.04 -0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.71 2dmf h SER 22 Cb 1.42 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.93 2dmf h SER 22 CO 0.13 0.51 -1.36 -0.38 -1.14 0.00 0.00 176.83 174.58 2dmf n ILE 23 N -3.95 1.50 -1.48 3.27 5.41 -1.16 -4.48 119.36 118.48 2dmf n ILE 23 Ca -0.02 -0.03 -0.36 0.00 1.00 0.00 0.00 62.75 63.35 2dmf n ILE 23 Cb 0.52 -2.13 0.07 0.00 -0.71 0.00 0.00 39.64 37.38 2dmf n ILE 23 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2dmf n TYR 24 N -4.44 3.17 -0.32 1.39 4.01 0.12 -4.77 117.16 116.32 2dmf n TYR 24 Ca -0.29 -2.87 0.02 0.00 -0.16 0.00 0.00 57.90 54.60 2dmf n TYR 24 Cb 0.61 -1.37 0.07 0.00 -0.31 0.00 0.00 39.34 38.34 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 -0.83 -0.46 -0.08 7.72 -0.00 0.05 -1.76 117.00 121.64 2dmf n LEU 25 Ca 0.61 1.50 -0.16 0.00 -0.00 0.00 0.00 56.01 57.95 2dmf n LEU 25 Cb 0.57 -0.39 -0.06 0.00 -0.00 0.00 0.00 43.42 43.54 2dmf n LEU 25 CO 0.73 -1.38 -1.04 -0.67 -0.00 0.00 0.00 177.39 175.02 2dmf n ASP 26 N -5.33 1.55 -0.56 1.45 -0.08 -1.26 -4.55 116.55 107.77 2dmf n ASP 26 Ca 0.11 0.13 0.43 0.00 -1.51 0.00 0.00 54.79 53.95 2dmf n ASP 26 Cb 0.38 -0.42 0.68 0.00 2.34 0.00 0.00 41.12 44.10 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dmf n GLU 27 N -3.54 -0.01 -4.57 -0.67 1.02 -1.21 -4.06 120.64 107.61 2dmf n GLU 27 Ca -0.31 0.97 -0.22 0.00 -0.02 0.00 0.00 57.16 57.59 2dmf n GLU 27 Cb 0.74 -2.15 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dmf s LEU 28 N -7.72 1.94 0.18 -4.62 0.20 -0.73 -3.87 118.68 104.06 2dmf s LEU 28 Ca -0.05 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.56 2dmf s LEU 28 Cb 0.24 -0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 45.28 2dmf s LEU 28 CO 0.76 0.13 0.31 -1.58 -0.29 0.00 0.00 176.35 175.68 2dmf s GLN 29 N -0.10 3.44 -0.02 1.98 2.00 0.60 -4.66 119.66 122.91 2dmf s GLN 29 Ca 0.01 -0.63 0.02 0.00 -2.00 0.00 0.00 55.36 52.76 2dmf s GLN 29 Cb -0.07 -2.94 0.01 0.00 0.80 0.00 0.00 33.01 30.81 2dmf s GLN 29 CO 0.00 0.49 -0.06 0.08 -0.50 0.00 0.00 175.29 175.30 2dmf s VAL 30 N -1.82 0.56 -0.11 1.34 1.01 -1.26 -2.55 120.40 117.57 2dmf s VAL 30 Ca 0.35 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2dmf s VAL 30 Cb -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.77 2dmf s VAL 30 CO 0.29 0.19 -0.15 -0.63 0.00 0.00 0.00 175.10 174.80 2dmf s ILE 31 N 0.32 1.50 -0.06 2.22 -1.09 0.21 -4.98 121.20 119.32 2dmf s ILE 31 Ca -0.04 -0.63 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 2dmf s ILE 31 Cb -0.08 -1.38 -0.05 0.00 -1.58 0.00 0.00 42.46 39.37 2dmf s ILE 31 CO 0.00 0.44 0.27 -0.54 -1.23 0.00 0.00 174.94 173.88 2dmf s LYS 32 N 1.07 3.66 0.00 2.79 1.02 -1.26 -2.23 119.74 124.79 2dmf s LYS 32 Ca -0.05 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.06 2dmf s LYS 32 Cb -0.15 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2dmf s LYS 32 CO -0.03 0.73 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 2dmf n GLY 33 N 1.86 0.88 1.83 -3.33 0.00 -1.05 -4.90 105.19 100.48 2dmf n GLY 33 Ca -0.17 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 2dmf n GLY 33 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dmf n ASN 34 N -2.90 -2.33 -3.51 1.61 2.85 -1.26 -4.41 115.26 105.31 2dmf n ASN 34 Ca 0.00 -0.20 -0.02 0.00 -0.11 0.00 0.00 54.58 54.25 2dmf n ASN 34 Cb 0.00 -1.96 0.01 0.00 1.24 0.00 0.00 39.78 39.07 2dmf n ASN 34 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2dmf s GLY 35 N -3.36 -0.02 0.48 8.20 0.00 -1.26 -4.86 107.32 106.49 2dmf s GLY 35 Ca 0.03 -0.12 0.15 0.00 0.00 0.00 0.00 44.72 44.78 2dmf s GLY 35 CO 0.23 2.29 2.07 0.07 0.00 0.00 0.00 173.10 177.75 2dmf h ARG 36 N 2.00 0.22 0.00 2.90 -0.00 -1.99 -2.52 114.38 114.99 2dmf h ARG 36 Ca -0.27 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.98 59.67 2dmf h ARG 36 Cb 1.21 -0.05 -0.07 0.00 -0.00 0.00 0.00 29.97 31.07 2dmf h ARG 36 CO 0.33 0.15 -0.44 -2.37 -0.00 0.00 0.00 179.97 177.63 2dmf n THR 37 N -4.48 1.48 -4.18 0.08 5.66 -1.26 -4.99 114.28 106.59 2dmf n THR 37 Ca 0.03 -2.19 -0.31 0.00 -3.05 0.00 0.00 64.05 58.54 2dmf n THR 37 Cb 0.22 0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.00 2dmf n THR 37 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dmf n SER 38 N -0.81 -0.36 -4.55 1.09 7.64 -0.95 -4.56 113.62 111.13 2dmf n SER 38 Ca 0.14 -1.13 -0.29 0.00 1.01 0.00 0.00 58.87 58.60 2dmf n SER 38 Cb 0.75 -2.32 0.19 0.00 -1.01 0.00 0.00 64.21 61.82 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 -6.99 0.08 -0.33 1.43 0.04 -1.26 -3.78 135.00 124.19 2dmf s PRO 39 Ca 0.17 0.40 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 2dmf s PRO 39 Cb -0.10 -1.71 0.06 0.00 0.04 0.00 0.00 34.50 32.79 2dmf s PRO 39 CO 0.95 -2.94 0.06 -1.58 0.04 0.00 0.00 177.00 173.53 2dmf s TRP 40 N -2.97 3.33 -0.16 0.56 0.52 0.73 -2.53 118.94 118.41 2dmf s TRP 40 Ca 0.66 -1.90 -0.14 0.00 0.02 0.00 0.00 56.10 54.74 2dmf s TRP 40 Cb -0.17 -2.35 -0.05 0.00 -1.15 0.00 0.00 33.47 29.75 2dmf s TRP 40 CO 0.57 -0.82 0.32 -2.00 0.02 0.00 0.00 176.95 175.04 2dmf s GLU 41 N 1.26 4.26 -0.06 4.98 2.56 -0.95 -0.68 118.70 130.06 2dmf s GLU 41 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 54.97 55.10 2dmf s GLU 41 Cb -0.20 -3.44 0.02 0.00 2.00 0.00 0.00 34.13 32.50 2dmf s GLU 41 CO -0.01 0.20 -0.10 0.42 -0.56 0.00 0.00 175.26 175.21 2dmf s ILE 42 N 0.58 0.96 0.29 -3.70 1.01 -0.42 0.66 121.20 120.59 2dmf s ILE 42 Ca 0.17 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.54 2dmf s ILE 42 Cb -0.13 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2dmf s ILE 42 CO 0.05 0.32 0.10 -0.31 0.00 0.00 0.00 174.94 175.10 2dmf s TYR 43 N 0.78 2.79 -0.18 3.97 2.02 -1.05 -0.34 117.35 125.34 2dmf s TYR 43 Ca -0.13 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 2dmf s TYR 43 Cb -0.15 -1.43 0.14 0.00 -0.40 0.00 0.00 41.96 40.12 2dmf s TYR 43 CO 0.02 0.47 1.09 -1.50 -1.57 0.00 0.00 175.55 174.06 2dmf s ILE 44 N -2.32 0.00 -0.34 2.71 2.07 -1.08 -0.29 121.20 121.94 2dmf s ILE 44 Ca 0.35 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.62 2dmf s ILE 44 Cb -0.05 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.64 2dmf s ILE 44 CO 0.22 0.00 0.05 -0.89 -1.91 0.00 0.00 174.94 172.41 2dmf s THR 45 N -1.39 2.32 -0.21 4.00 2.01 -1.25 -0.11 115.64 121.02 2dmf s THR 45 Ca 0.02 -2.31 -0.24 0.00 0.31 0.00 0.00 61.69 59.47 2dmf s THR 45 Cb -0.01 -2.70 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2dmf s THR 45 CO -0.02 -0.58 0.77 -0.76 -0.69 0.00 0.00 174.62 173.34 2dmf s LEU 46 N 0.92 4.13 0.05 4.42 1.43 -1.25 -4.97 118.68 123.41 2dmf s LEU 46 Ca 0.10 1.02 0.09 0.00 -1.03 0.00 0.00 54.13 54.30 2dmf s LEU 46 Cb -0.19 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 2dmf s LEU 46 CO -0.08 -0.41 -0.24 -1.38 0.23 0.00 0.00 176.35 174.48 2dmf s HIS 47 N 2.35 2.40 1.09 0.29 -3.43 -1.26 -4.06 115.29 112.67 2dmf s HIS 47 Ca 0.34 -0.36 -0.18 0.00 -0.80 0.00 0.00 55.06 54.06 2dmf s HIS 47 Cb -0.16 -1.41 0.27 0.00 -1.43 0.00 0.00 32.58 29.85 2dmf s HIS 47 CO 0.10 0.18 0.96 -0.35 -2.00 0.00 0.00 174.74 173.63 2dmf n PRO 48 N 1.66 -2.90 -3.59 -0.38 -0.04 -1.26 -4.98 135.00 123.51 2dmf n PRO 48 Ca -0.17 -1.54 -0.28 0.00 -0.04 0.00 0.00 63.50 61.48 2dmf n PRO 48 Cb 0.52 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.01 2.28 0.15 0.55 0.00 -1.26 -4.91 121.76 115.56 2dmf s ALA 49 Ca 0.63 -2.93 0.11 0.00 0.00 0.00 0.00 51.96 49.76 2dmf s ALA 49 Cb -0.06 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2dmf s ALA 49 CO 0.48 -2.03 -0.22 0.99 0.00 0.00 0.00 175.76 174.98 2dmf s THR 50 N -0.42 2.51 0.04 0.00 2.01 -1.21 -5.00 115.64 113.57 2dmf s THR 50 Ca 0.29 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.39 2dmf s THR 50 Cb -0.02 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2dmf s THR 50 CO -0.17 -0.00 1.18 0.00 -0.69 0.00 0.00 174.62 174.94 2dmf h ALA 51 N 3.51 -0.50 -0.03 7.40 0.00 -1.99 0.39 119.26 128.03 2dmf h ALA 51 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2dmf h ALA 51 Cb 1.19 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 2dmf h ALA 51 CO 0.45 -0.58 -0.09 1.49 0.00 0.00 0.00 179.25 180.52 2dmf h GLU 52 N -0.15 0.05 -1.56 0.00 4.81 -2.04 -2.59 114.58 113.10 2dmf h GLU 52 Ca 0.02 -0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.53 2dmf h GLU 52 Cb 0.20 -0.01 -0.30 0.00 0.63 0.00 0.00 28.75 29.27 2dmf h GLU 52 CO -0.17 0.15 0.69 -3.47 -0.73 0.00 0.00 179.01 175.48 2dmf n ASP 53 N -4.40 7.12 -0.03 1.04 2.03 -0.39 -4.55 116.55 117.37 2dmf n ASP 53 Ca -0.02 -3.81 -0.15 0.00 0.52 0.00 0.00 54.79 51.33 2dmf n ASP 53 Cb 0.18 -0.93 -0.10 0.00 -0.72 0.00 0.00 41.12 39.55 2dmf n ASP 53 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2dmf h GLN 54 N 2.59 0.27 0.00 -0.67 4.20 0.13 -3.20 115.11 118.42 2dmf h GLN 54 Ca 0.54 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2dmf h GLN 54 Cb 0.46 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2dmf h GLN 54 CO 1.38 0.90 -0.60 -3.47 -0.67 0.00 0.00 178.83 176.37 2dmf n ASP 55 N -4.46 2.92 -0.35 1.46 2.03 -1.26 -4.77 116.55 112.11 2dmf n ASP 55 Ca -0.09 0.00 0.26 0.00 0.52 0.00 0.00 54.79 55.48 2dmf n ASP 55 Cb 0.50 0.26 0.51 0.00 -0.72 0.00 0.00 41.12 41.67 2dmf n ASP 55 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2dmf h SER 56 N 0.00 0.46 -5.78 1.67 0.87 -1.82 -3.45 113.55 105.51 2dmf h SER 56 Ca 0.00 0.17 -0.36 0.00 -1.23 0.00 0.00 61.79 60.38 2dmf h SER 56 Cb 0.60 0.13 0.14 0.00 -0.44 0.00 0.00 62.40 62.82 2dmf h SER 56 CO 0.00 -0.13 -0.78 0.00 -0.53 0.00 0.00 176.83 175.39 2dmf n GLN 57 N -4.95 -6.23 -0.02 2.24 6.02 -1.26 -4.92 117.38 108.25 2dmf n GLN 57 Ca 0.32 0.79 -0.06 0.00 -0.01 0.00 0.00 57.00 58.04 2dmf n GLN 57 Cb 1.06 -5.69 -0.04 0.00 1.02 0.00 0.00 30.24 26.59 2dmf n GLN 57 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2dmf h TYR 58 N -1.93 -0.70 -3.20 1.08 3.20 -1.89 -3.40 116.97 110.13 2dmf h TYR 58 Ca -0.59 0.03 -0.58 0.00 3.14 0.00 0.00 58.73 60.73 2dmf h TYR 58 Cb 1.35 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 39.89 2dmf h TYR 58 CO 0.45 -0.22 -0.14 0.54 -1.64 0.00 0.00 178.16 177.15 2dmf s VAL 59 N -4.13 4.93 0.03 1.81 0.11 -1.26 -4.83 120.40 117.06 2dmf s VAL 59 Ca -0.06 0.79 -0.27 0.00 -2.93 0.00 0.00 61.98 59.50 2dmf s VAL 59 Cb 0.03 -3.73 0.09 0.00 -1.53 0.00 0.00 36.38 31.24 2dmf s VAL 59 CO 0.26 0.35 0.79 0.00 -3.33 0.00 0.00 175.10 173.17 2dmf s PHE 61 N -3.03 -1.12 -0.89 0.00 -0.71 -1.26 -2.23 117.98 108.75 2dmf s PHE 61 Ca 0.02 1.58 -0.25 0.00 -1.04 0.00 0.00 56.93 57.25 2dmf s PHE 61 Cb -0.01 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 2dmf s PHE 61 CO -0.08 -0.68 1.98 0.99 -1.34 0.00 0.00 175.22 176.09 2dmf s THR 62 N 2.72 3.41 -0.25 -4.49 2.01 -0.72 -3.75 115.64 114.57 2dmf s THR 62 Ca 0.06 -0.33 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 2dmf s THR 62 Cb -0.14 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2dmf s THR 62 CO -0.17 -0.88 2.01 -0.22 -0.69 0.00 0.00 174.62 174.67 2dmf s LEU 63 N 10.38 3.52 -0.23 4.42 0.20 0.85 -1.95 118.68 135.88 2dmf s LEU 63 Ca 0.72 1.67 -0.16 0.00 0.69 0.00 0.00 54.13 57.05 2dmf s LEU 63 Cb -0.07 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.13 2dmf s LEU 63 CO 0.00 -1.79 0.40 -0.69 -0.29 0.00 0.00 176.35 173.98 2dmf s VAL 64 N 7.44 5.18 -0.38 1.68 1.01 -0.21 -2.65 120.40 132.47 2dmf s VAL 64 Ca 0.90 0.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.53 2dmf s VAL 64 Cb -0.29 -3.73 0.09 0.00 0.00 0.00 0.00 36.38 32.46 2dmf s VAL 64 CO 0.34 0.21 0.15 -0.76 0.00 0.00 0.00 175.10 175.05 2dmf s LEU 65 N 1.61 4.90 -0.75 3.92 1.43 0.54 -1.93 118.68 128.40 2dmf s LEU 65 Ca 0.18 -1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 51.28 2dmf s LEU 65 Cb -0.15 -1.81 0.12 0.00 0.03 0.00 0.00 46.19 44.38 2dmf s LEU 65 CO 0.08 -0.47 0.90 -1.58 0.23 0.00 0.00 176.35 175.51 2dmf s GLN 66 N 1.18 3.31 -0.44 1.70 0.74 -0.86 -1.31 119.66 123.99 2dmf s GLN 66 Ca 0.05 -1.53 -0.26 0.00 0.05 0.00 0.00 55.36 53.67 2dmf s GLN 66 Cb -0.22 -4.49 0.02 0.00 1.10 0.00 0.00 33.01 29.42 2dmf s GLN 66 CO -0.03 -1.63 0.96 0.08 -0.55 0.00 0.00 175.29 174.11 2dmf s VAL 67 N 2.59 4.46 0.87 1.34 1.01 0.14 -0.29 120.40 130.53 2dmf s VAL 67 Ca 0.21 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 2dmf s VAL 67 Cb -0.15 -4.43 0.22 0.00 0.00 0.00 0.00 36.38 32.02 2dmf s VAL 67 CO -0.00 -0.78 0.77 -0.81 0.00 0.00 0.00 175.10 174.28 2dmf n PRO 68 N 7.16 -2.53 0.21 2.72 -0.04 -1.26 -0.19 135.00 141.06 2dmf n PRO 68 Ca 0.07 -1.24 0.11 0.00 -0.04 0.00 0.00 63.50 62.41 2dmf n PRO 68 Cb 0.48 -1.16 0.15 0.00 -0.04 0.00 0.00 33.50 32.94 2dmf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf h ALA 69 N -2.53 0.96 0.12 0.55 0.00 -1.90 -3.26 119.26 113.20 2dmf h ALA 69 Ca -0.29 -0.05 -0.28 0.00 0.00 0.00 0.00 54.91 54.30 2dmf h ALA 69 Cb 0.89 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dmf h ALA 69 CO 0.19 0.06 -1.22 0.93 0.00 0.00 0.00 179.25 179.21 2dmf h GLU 70 N 0.00 0.38 -4.00 0.00 3.07 -1.92 -3.47 114.58 108.64 2dmf h GLU 70 Ca -0.00 -0.57 -0.43 0.00 -0.50 0.00 0.00 59.36 57.86 2dmf h GLU 70 Cb 1.04 0.20 0.09 0.00 -0.84 0.00 0.00 28.75 29.24 2dmf h GLU 70 CO 0.01 1.25 -0.51 0.98 -1.40 0.00 0.00 179.01 179.34 2dmf n TYR 71 N -3.63 -0.92 0.20 4.33 4.19 -1.23 -2.21 117.16 117.89 2dmf n TYR 71 Ca -0.10 0.52 0.06 0.00 3.31 0.00 0.00 57.90 61.69 2dmf n TYR 71 Cb 0.99 -1.24 0.40 0.00 0.49 0.00 0.00 39.34 39.99 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 0.42 0.00 -0.49 2.98 0.13 -1.86 -3.44 132.00 129.73 2dmf h PRO 72 Ca -0.22 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2dmf h PRO 72 Cb 0.96 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.00 2dmf h PRO 72 CO 0.34 0.34 0.24 0.72 -0.23 0.00 0.00 178.00 179.41 2dmf n HIS 73 N -3.70 0.55 -3.95 1.56 8.25 -0.94 -3.19 115.22 113.80 2dmf n HIS 73 Ca -0.01 0.58 -0.34 0.00 -0.26 0.00 0.00 57.72 57.69 2dmf n HIS 73 Cb 0.44 -1.02 -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 -4.81 2.61 0.44 -0.41 2.56 -1.25 -4.84 118.70 113.01 2dmf s GLU 74 Ca -0.05 -1.13 -0.23 0.00 0.00 0.00 0.00 54.97 53.56 2dmf s GLU 74 Cb 0.17 -3.06 -0.10 0.00 2.00 0.00 0.00 34.13 33.13 2dmf s GLU 74 CO 0.38 -0.51 0.97 1.33 -0.56 0.00 0.00 175.26 176.88 2dmf n VAL 75 N 4.63 2.53 -2.23 3.70 0.24 -1.19 -3.58 118.33 122.42 2dmf n VAL 75 Ca -0.15 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.24 2dmf n VAL 75 Cb 0.45 -1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 31.67 2dmf n VAL 75 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dmf s PRO 76 N -2.07 4.41 -0.51 7.34 0.04 -1.26 -4.75 135.00 138.20 2dmf s PRO 76 Ca 0.65 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 2dmf s PRO 76 Cb -0.54 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.78 2dmf s PRO 76 CO 0.56 -0.20 2.02 -1.14 0.04 0.00 0.00 177.00 178.28 2dmf s GLN 77 N -0.46 2.63 -0.04 4.56 0.74 0.61 -4.65 119.66 123.06 2dmf s GLN 77 Ca 0.54 1.05 -0.27 0.00 0.05 0.00 0.00 55.36 56.73 2dmf s GLN 77 Cb -0.36 -4.41 -0.03 0.00 1.10 0.00 0.00 33.01 29.31 2dmf s GLN 77 CO 0.40 -2.69 0.85 0.42 -0.55 0.00 0.00 175.29 173.72 2dmf s ILE 78 N 9.50 4.94 -0.08 -2.34 1.01 -1.26 -2.03 121.20 130.95 2dmf s ILE 78 Ca 0.79 1.78 -0.09 0.00 0.00 0.00 0.00 60.65 63.13 2dmf s ILE 78 Cb -0.17 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.13 2dmf s ILE 78 CO 0.25 0.19 0.23 -0.44 0.00 0.00 0.00 174.94 175.18 2dmf s SER 79 N 0.93 -0.22 -0.17 3.58 0.01 -0.82 -5.00 113.70 112.01 2dmf s SER 79 Ca 0.45 0.39 -0.22 0.00 1.31 0.00 0.00 55.95 57.88 2dmf s SER 79 Cb -0.19 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 2dmf s SER 79 CO 0.23 -0.14 0.67 -0.63 0.41 0.00 0.00 173.24 173.78 2dmf s ILE 80 N -0.12 5.00 -0.10 1.44 -1.09 -1.26 -1.04 121.20 124.03 2dmf s ILE 80 Ca -0.02 1.30 0.01 0.00 -2.23 0.00 0.00 60.65 59.71 2dmf s ILE 80 Cb -0.02 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 2dmf s ILE 80 CO 0.01 0.12 -0.14 -0.60 -1.23 0.00 0.00 174.94 173.10 2dmf s ARG 81 N 1.73 3.10 -1.21 2.79 3.52 -0.82 -4.68 118.95 123.37 2dmf s ARG 81 Ca 0.32 -0.70 -0.05 0.00 -0.13 0.00 0.00 55.73 55.17 2dmf s ARG 81 Cb -0.16 -2.54 -0.02 0.00 -1.56 0.00 0.00 34.95 30.68 2dmf s ARG 81 CO 0.12 0.34 0.81 0.09 -0.81 0.00 0.00 175.30 175.84 2dmf n ASN 82 N 3.15 -3.06 -4.64 -2.12 5.03 -1.26 -1.76 115.26 110.59 2dmf n ASN 82 Ca -0.18 -0.80 -0.43 0.00 0.87 0.00 0.00 54.58 54.05 2dmf n ASN 82 Cb 0.53 -4.36 -0.03 0.00 -1.02 0.00 0.00 39.78 34.91 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 -5.56 3.99 -0.11 3.52 0.04 -1.26 -4.46 135.00 131.17 2dmf s PRO 83 Ca 0.17 1.83 0.03 0.00 0.04 0.00 0.00 61.00 63.07 2dmf s PRO 83 Cb -0.04 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.52 2dmf s PRO 83 CO 0.79 -1.05 -0.22 0.50 0.04 0.00 0.00 177.00 177.06 2dmf s ARG 84 N 4.27 3.12 0.00 4.56 3.00 -0.95 -4.75 118.95 128.21 2dmf s ARG 84 Ca 0.69 -0.84 0.00 0.00 -1.00 0.00 0.00 55.73 54.58 2dmf s ARG 84 Cb -0.27 -2.37 0.00 0.00 0.00 0.00 0.00 34.95 32.31 2dmf s ARG 84 CO 0.27 0.18 0.00 0.41 0.00 0.00 0.00 175.30 176.16 2dmf n GLY 85 N 3.53 2.08 3.74 8.12 0.00 -1.26 -3.14 105.19 118.26 2dmf n GLY 85 Ca -0.19 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 4.43 0.28 0.99 1.43 -1.26 -5.03 118.68 119.52 2dmf s LEU 86 Ca 0.00 2.37 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 2dmf s LEU 86 Cb 0.00 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2dmf s LEU 86 CO 0.00 -0.47 0.34 -0.94 0.23 0.00 0.00 176.35 175.51 2dmf s SER 87 N 0.16 5.91 0.27 2.29 1.04 -1.26 -4.83 113.70 117.28 2dmf s SER 87 Ca 0.54 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.89 2dmf s SER 87 Cb -0.35 -1.49 0.76 0.00 0.10 0.00 0.00 66.02 65.03 2dmf s SER 87 CO 0.39 -0.18 1.30 -0.90 0.98 0.00 0.00 173.24 174.83 2dmf n ASP 88 N -1.40 0.00 0.27 7.02 5.75 -1.26 -0.43 116.55 126.50 2dmf n ASP 88 Ca -0.06 1.40 -0.12 0.00 -0.01 0.00 0.00 54.79 56.00 2dmf n ASP 88 Cb 0.58 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 40.05 2dmf n ASP 88 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2dmf h GLU 89 N 0.00 -0.73 -0.10 0.11 5.08 -2.00 -0.09 114.58 116.85 2dmf h GLU 89 Ca 0.55 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 59.01 2dmf h GLU 89 Cb 1.25 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.60 2dmf h GLU 89 CO -0.74 -0.48 -0.35 1.96 -1.00 0.00 0.00 179.01 178.39 2dmf h GLN 90 N -0.75 -0.43 -0.42 2.33 4.20 -1.12 -2.42 115.11 116.50 2dmf h GLN 90 Ca -0.07 0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.75 2dmf h GLN 90 Cb 0.60 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 28.39 2dmf h GLN 90 CO 0.07 -0.29 -0.33 0.82 -0.67 0.00 0.00 178.83 178.43 2dmf h ILE 91 N -0.45 0.22 -0.87 2.54 2.04 -0.92 -1.07 117.51 119.00 2dmf h ILE 91 Ca 0.08 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.12 2dmf h ILE 91 Cb 0.58 0.22 -0.16 0.00 -0.74 0.00 0.00 36.82 36.71 2dmf h ILE 91 CO -0.35 0.00 -0.22 1.57 0.00 0.00 0.00 178.15 179.15 2dmf n HIS 92 N -5.42 0.30 0.01 1.37 -0.00 -0.05 0.68 115.22 112.11 2dmf n HIS 92 Ca 0.01 1.06 -0.11 0.00 0.46 0.00 0.00 57.72 59.14 2dmf n HIS 92 Cb 0.34 -1.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.15 2dmf n HIS 92 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dmf h THR 93 N 0.00 1.02 -0.21 3.57 2.02 -1.12 -2.34 112.91 115.85 2dmf h THR 93 Ca 0.42 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.61 2dmf h THR 93 Cb 0.63 0.90 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 2dmf h THR 93 CO -0.90 0.02 -0.35 0.40 0.37 0.00 0.00 175.52 175.06 2dmf h ILE 94 N 0.11 0.23 0.17 3.11 2.04 0.53 -1.21 117.51 122.48 2dmf h ILE 94 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2dmf h ILE 94 Cb -0.01 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 2dmf h ILE 94 CO -0.01 0.00 -0.35 -0.07 0.00 0.00 0.00 178.15 177.73 2dmf h LEU 95 N -0.38 -1.01 -0.93 1.44 3.38 -1.15 -0.11 115.31 116.55 2dmf h LEU 95 Ca 0.11 0.10 0.15 0.00 0.09 0.00 0.00 57.88 58.33 2dmf h LEU 95 Cb 0.56 0.36 -0.16 0.00 0.09 0.00 0.00 40.66 41.52 2dmf h LEU 95 CO -0.42 -0.39 -0.36 1.56 0.09 0.00 0.00 178.44 178.92 2dmf h GLN 96 N -0.56 -0.03 0.16 1.13 1.08 -1.19 0.21 115.11 115.92 2dmf h GLN 96 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2dmf h GLN 96 Cb 0.53 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2dmf h GLN 96 CO -0.14 -0.02 -0.12 0.28 -0.95 0.00 0.00 178.83 177.89 2dmf h VAL 97 N -0.03 0.00 -0.96 -0.54 2.07 -0.85 0.95 116.25 116.89 2dmf h VAL 97 Ca 0.35 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.17 2dmf h VAL 97 Cb 0.61 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.21 2dmf h VAL 97 CO -0.94 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 176.86 2dmf h LEU 98 N -0.27 -0.04 -0.23 2.57 3.38 -0.33 0.33 115.31 120.72 2dmf h LEU 98 Ca -0.02 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2dmf h LEU 98 Cb 0.22 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dmf h LEU 98 CO 0.01 -0.30 0.02 1.23 0.09 0.00 0.00 178.44 179.49 2dmf h GLY 99 N 0.09 0.42 0.47 0.83 0.00 -0.36 -2.93 103.07 101.60 2dmf h GLY 99 Ca 0.67 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.77 2dmf h GLY 99 CO -0.78 0.27 0.08 0.84 0.00 0.00 0.00 176.54 176.96 2dmf h HIS 100 N 0.18 0.14 -0.92 5.60 -0.00 0.22 -1.07 115.15 119.30 2dmf h HIS 100 Ca 0.07 0.03 0.11 0.00 -0.00 0.00 0.00 60.37 60.58 2dmf h HIS 100 Cb 0.36 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.70 2dmf h HIS 100 CO 0.03 0.01 0.59 0.28 -0.00 0.00 0.00 177.93 178.83 2dmf h VAL 101 N 0.22 0.92 0.57 5.26 2.07 -1.22 -0.06 116.25 124.01 2dmf h VAL 101 Ca 0.21 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2dmf h VAL 101 Cb 0.26 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2dmf h VAL 101 CO -0.27 0.16 -0.27 0.00 0.02 0.00 0.00 177.57 177.20 2dmf h ALA 102 N 1.56 -0.92 -0.87 1.67 0.00 -1.04 0.51 119.26 120.17 2dmf h ALA 102 Ca 0.44 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.40 2dmf h ALA 102 Cb 0.50 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 2dmf h ALA 102 CO -0.20 -0.86 0.59 0.87 0.00 0.00 0.00 179.25 179.65 2dmf h LYS 103 N -1.00 0.26 0.00 0.00 1.57 -1.14 0.38 116.57 116.65 2dmf h LYS 103 Ca -0.08 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 2dmf h LYS 103 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2dmf h LYS 103 CO 0.13 0.17 -0.70 0.00 -0.57 0.00 0.00 179.45 178.48 2dmf h ALA 104 N 1.61 0.65 -1.15 3.86 0.00 -0.94 -3.30 119.26 119.99 2dmf h ALA 104 Ca 0.44 -0.64 -0.68 0.00 0.00 0.00 0.00 54.91 54.04 2dmf h ALA 104 Cb 1.30 -0.11 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 2dmf h ALA 104 CO -0.12 0.87 0.30 0.41 0.00 0.00 0.00 179.25 180.72 2dmf n GLY 105 N 0.96 5.80 3.83 0.00 0.00 0.13 -5.03 105.19 110.87 2dmf n GLY 105 Ca 0.00 -2.57 -0.32 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 3.48 0.00 0.99 1.43 -1.01 -3.75 118.68 115.99 2dmf s LEU 106 Ca 0.52 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2dmf s LEU 106 Cb 0.43 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 42.14 2dmf s LEU 106 CO -0.26 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.04 2dmf n GLY 107 N -1.61 1.54 3.28 -3.19 0.00 -1.26 -4.93 105.19 99.02 2dmf n GLY 107 Ca 0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2dmf n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmf n THR 108 N 0.00 0.00 -2.46 2.61 -2.24 -1.25 -4.75 114.28 106.20 2dmf n THR 108 Ca 0.00 -1.71 -0.43 0.00 -2.27 0.00 0.00 64.05 59.64 2dmf n THR 108 Cb 0.00 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 2dmf n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmf s ALA 109 N -2.62 3.64 -0.13 6.98 0.00 -1.26 -4.79 121.76 123.58 2dmf s ALA 109 Ca 0.43 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.82 2dmf s ALA 109 Cb -0.03 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 2dmf s ALA 109 CO 0.27 -1.21 -0.06 0.00 0.00 0.00 0.00 175.76 174.76 2dmf n MET 110 N 6.63 1.04 -0.02 0.00 3.85 -1.26 -4.63 117.12 122.72 2dmf n MET 110 Ca 0.14 0.05 -0.01 0.00 -1.00 0.00 0.00 57.70 56.88 2dmf n MET 110 Cb 0.45 -1.28 -0.01 0.00 -1.05 0.00 0.00 33.22 31.33 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 -2.73 -0.06 -0.30 3.17 4.77 -1.26 0.16 117.00 120.74 2dmf n LEU 111 Ca -0.22 0.68 0.15 0.00 -0.03 0.00 0.00 56.01 56.58 2dmf n LEU 111 Cb 0.80 -0.30 0.32 0.00 -2.33 0.00 0.00 43.42 41.91 2dmf n LEU 111 CO 0.18 -0.37 0.98 0.22 -1.33 0.00 0.00 177.39 177.06 2dmf h TYR 112 N 0.00 0.47 0.38 -1.77 3.20 -1.97 -1.88 116.97 115.39 2dmf h TYR 112 Ca 0.01 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2dmf h TYR 112 Cb 0.02 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2dmf h TYR 112 CO -0.60 -0.19 -0.18 0.93 -1.64 0.00 0.00 178.16 176.48 2dmf h GLU 113 N 0.25 -0.49 -0.80 1.82 5.08 0.12 -2.75 114.58 117.82 2dmf h GLU 113 Ca 0.58 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 59.27 2dmf h GLU 113 Cb 1.19 0.11 -0.15 0.00 0.50 0.00 0.00 28.75 30.41 2dmf h GLU 113 CO -0.63 -0.32 0.31 1.28 -1.00 0.00 0.00 179.01 178.64 2dmf n LEU 114 N -3.67 0.17 0.44 1.33 4.77 0.16 0.10 117.00 120.29 2dmf n LEU 114 Ca -0.06 1.33 -0.17 0.00 -0.03 0.00 0.00 56.01 57.08 2dmf n LEU 114 Cb 0.20 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 2dmf n LEU 114 CO 0.15 -1.45 0.47 0.40 -1.33 0.00 0.00 177.39 175.63 2dmf h ILE 115 N 0.00 0.00 -0.97 -0.08 2.04 -1.30 -2.59 117.51 114.61 2dmf h ILE 115 Ca 0.62 -0.11 0.25 0.00 1.00 0.00 0.00 64.86 66.61 2dmf h ILE 115 Cb 1.56 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.46 2dmf h ILE 115 CO -0.65 0.00 -0.03 -0.33 0.00 0.00 0.00 178.15 177.13 2dmf h GLU 116 N -1.23 0.02 0.27 2.37 4.39 -0.03 -1.21 114.58 119.16 2dmf h GLU 116 Ca -0.11 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2dmf h GLU 116 Cb 0.86 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2dmf h GLU 116 CO 0.19 0.01 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.63 2dmf h LYS 117 N 0.02 -0.43 -0.74 2.33 1.63 -1.34 -1.33 116.57 116.71 2dmf h LYS 117 Ca 0.55 0.03 0.28 0.00 -0.85 0.00 0.00 60.65 60.66 2dmf h LYS 117 Cb 1.07 0.10 -0.14 0.00 -0.60 0.00 0.00 32.23 32.66 2dmf h LYS 117 CO -0.92 -0.29 0.29 0.41 -3.45 0.00 0.00 179.45 175.49 2dmf n GLY 118 N -1.24 -0.69 0.08 5.01 0.00 -0.49 0.13 105.19 107.99 2dmf n GLY 118 Ca -0.05 0.64 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.12 0.00 1.61 1.57 -1.12 -2.90 116.57 115.85 2dmf h LYS 119 Ca 0.58 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2dmf h LYS 119 Cb 1.45 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 2dmf h LYS 119 CO -0.61 0.61 -0.09 1.05 -0.57 0.00 0.00 179.45 179.84 2dmf h GLU 120 N -0.37 0.00 0.29 3.15 4.11 0.22 -1.09 114.58 120.90 2dmf h GLU 120 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2dmf h GLU 120 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2dmf h GLU 120 CO 0.01 0.09 -0.14 0.82 0.07 0.00 0.00 179.01 179.87 2dmf h ILE 121 N 0.00 0.00 -0.75 -1.06 2.04 -0.28 -3.27 117.51 114.18 2dmf h ILE 121 Ca -0.00 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.84 2dmf h ILE 121 Cb 0.17 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.18 2dmf h ILE 121 CO 0.01 0.00 0.42 0.25 0.00 0.00 0.00 178.15 178.83 2dmf h LEU 122 N -0.49 0.60 -1.84 1.44 6.46 -1.48 -1.49 115.31 118.50 2dmf h LEU 122 Ca -0.04 0.04 0.55 0.00 -0.12 0.00 0.00 57.88 58.32 2dmf h LEU 122 Cb 0.30 -0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.07 2dmf h LEU 122 CO 0.07 0.36 1.30 0.41 -0.62 0.00 0.00 178.44 179.96 2dmf n THR 123 N -4.78 -0.05 0.02 1.05 -1.04 -0.42 0.12 114.28 109.19 2dmf n THR 123 Ca 0.11 1.55 -0.20 0.00 -2.04 0.00 0.00 64.05 63.47 2dmf n THR 123 Cb 0.24 -2.57 -0.14 0.00 -1.82 0.00 0.00 70.33 66.04 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 0.39 -0.94 8.00 5.19 -1.32 -3.34 116.42 124.41 2dmf h ASP 124 Ca 0.92 -0.90 -0.53 0.00 -0.62 0.00 0.00 57.03 55.91 2dmf h ASP 124 Cb 3.57 -0.13 -0.29 0.00 0.18 0.00 0.00 39.33 42.66 2dmf h ASP 124 CO -0.11 1.48 0.67 0.59 -3.12 0.00 0.00 179.24 178.75 2dmf n ASN 125 N -4.07 4.72 -0.13 6.45 3.02 0.33 -4.56 115.26 121.03 2dmf n ASN 125 Ca -0.19 -3.56 -0.09 0.00 -0.03 0.00 0.00 54.58 50.70 2dmf n ASN 125 Cb 0.84 -0.86 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2dmf h ASN 126 N 1.20 0.54 -3.31 6.41 7.08 0.37 -3.41 115.58 124.45 2dmf h ASN 126 Ca 0.59 -0.16 -0.56 0.00 -3.08 0.00 0.00 56.30 53.10 2dmf h ASN 126 Cb 2.26 -0.14 -0.04 0.00 -2.08 0.00 0.00 38.32 38.31 2dmf h ASN 126 CO 1.16 0.55 0.44 -0.63 -2.08 0.00 0.00 177.43 176.88 2dmf s ILE 127 N -5.58 4.85 -2.00 6.14 1.01 -1.26 -4.83 121.20 119.52 2dmf s ILE 127 Ca -0.13 1.91 0.04 0.00 0.00 0.00 0.00 60.65 62.47 2dmf s ILE 127 Cb 0.10 -4.25 0.12 0.00 0.01 0.00 0.00 42.46 38.43 2dmf s ILE 127 CO 0.75 0.07 0.71 -0.81 0.00 0.00 0.00 174.94 175.66 2dmf n PRO 128 N 4.69 0.49 -4.50 2.79 -0.04 -1.26 -4.69 135.00 132.48 2dmf n PRO 128 Ca 0.06 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.21 2dmf n PRO 128 Cb 0.49 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.71 2dmf n PRO 128 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2dmf s HIS 129 N -2.00 2.68 0.00 0.54 2.46 -1.26 -4.98 115.29 112.73 2dmf s HIS 129 Ca 0.06 -0.18 0.00 0.00 0.47 0.00 0.00 55.06 55.41 2dmf s HIS 129 Cb 0.03 -1.49 0.00 0.00 -0.13 0.00 0.00 32.58 30.99 2dmf s HIS 129 CO 0.05 0.33 0.00 0.41 -2.47 0.00 0.00 174.74 173.05 2dmf n GLY 130 N 1.35 -2.06 3.61 1.59 0.00 -1.26 -5.06 105.19 103.35 2dmf n GLY 130 Ca -0.15 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.61 2dmf n GLY 130 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dmf s GLN 131 N 0.00 0.53 -0.32 1.61 1.03 -1.26 -5.14 119.66 116.10 2dmf s GLN 131 Ca 0.00 1.06 -0.09 0.00 0.04 0.00 0.00 55.36 56.37 2dmf s GLN 131 Cb 0.00 0.35 0.01 0.00 0.03 0.00 0.00 33.01 33.40 2dmf s GLN 131 CO 0.00 -0.14 0.13 -1.12 -2.54 0.00 0.00 175.29 171.63 2dmf s SER 132 N 2.00 5.42 0.00 12.60 0.01 -1.26 -4.98 113.70 127.48 2dmf s SER 132 Ca -0.08 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2dmf s SER 132 Cb -0.06 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dmf s SER 132 CO -0.18 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dmf n GLY 133 N 4.93 0.13 3.76 3.44 0.00 -1.26 -4.95 105.19 111.24 2dmf n GLY 133 Ca -0.13 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 2.07 0.98 1.61 0.04 -1.26 -5.04 135.00 133.40 2dmf s PRO 134 Ca 0.00 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.01 2dmf s PRO 134 Cb 0.00 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.84 2dmf s PRO 134 CO 0.00 -1.76 1.14 0.45 0.04 0.00 0.00 177.00 176.87 2dmf s SER 135 N -3.40 2.90 0.31 6.66 0.15 -1.26 -4.95 113.70 114.12 2dmf s SER 135 Ca 0.62 0.89 -0.27 0.00 0.70 0.00 0.00 55.95 57.88 2dmf s SER 135 Cb -0.17 -1.39 -0.14 0.00 -1.71 0.00 0.00 66.02 62.61 2dmf s SER 135 CO 0.56 -2.92 1.00 -0.24 1.20 0.00 0.00 173.24 172.84 2dmf n SER 136 N -4.00 1.28 -0.29 5.45 2.88 -1.26 -5.18 113.62 112.51 2dmf n SER 136 Ca 0.08 1.16 0.04 0.00 -1.33 0.00 0.00 58.87 58.81 2dmf n SER 136 Cb 0.59 -1.30 0.03 0.00 -0.75 0.00 0.00 64.21 62.78 2dmf n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42