#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf n SER 2 N 0.00 3.19 -4.92 1.61 7.64 -1.26 -4.95 113.62 114.92 2dmf n SER 2 Ca 0.00 0.62 -0.26 0.00 1.01 0.00 0.00 58.87 60.24 2dmf n SER 2 Cb 0.00 -1.42 0.01 0.00 -1.01 0.00 0.00 64.21 61.80 2dmf n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmf s SER 3 N 6.05 5.93 0.00 6.43 1.04 -1.26 -4.93 113.70 126.96 2dmf s SER 3 Ca 0.98 0.66 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2dmf s SER 3 Cb -0.60 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2dmf s SER 3 CO 0.45 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.53 2dmf n GLY 4 N -2.29 -1.15 3.03 7.32 0.00 -1.26 -5.12 105.19 105.73 2dmf n GLY 4 Ca 0.02 0.43 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 2dmf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmf s SER 5 N -4.00 -0.24 -0.00 1.61 0.15 -1.26 -5.16 113.70 104.80 2dmf s SER 5 Ca 0.00 0.48 -0.28 0.00 0.70 0.00 0.00 55.95 56.85 2dmf s SER 5 Cb 0.00 0.37 0.10 0.00 -1.71 0.00 0.00 66.02 64.78 2dmf s SER 5 CO 0.00 -0.16 0.85 -0.55 1.20 0.00 0.00 173.24 174.58 2dmf s SER 6 N 1.22 -0.41 0.00 5.45 0.15 -1.26 -5.15 113.70 113.70 2dmf s SER 6 Ca -0.09 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2dmf s SER 6 Cb -0.10 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2dmf s SER 6 CO -0.08 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2dmf n GLY 7 N -0.08 -1.53 3.50 9.45 0.00 -1.26 -4.98 105.19 110.30 2dmf n GLY 7 Ca -0.11 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 1.76 -0.13 1.61 2.02 -1.26 -5.09 118.70 117.61 2dmf s GLU 8 Ca 0.00 -2.01 -0.08 0.00 0.02 0.00 0.00 54.97 52.90 2dmf s GLU 8 Cb 0.00 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 33.20 2dmf s GLU 8 CO 0.00 -0.22 0.02 0.93 0.02 0.00 0.00 175.26 176.01 2dmf h GLU 9 N 1.98 0.00 -4.57 1.61 5.08 -2.08 -3.44 114.58 113.16 2dmf h GLU 9 Ca -0.41 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.25 2dmf h GLU 9 Cb 1.25 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 2dmf h GLU 9 CO 0.70 0.18 -0.45 0.16 -1.00 0.00 0.00 179.01 178.60 2dmf s ASP 10 N -5.80 6.09 -0.30 1.42 -4.77 -1.26 -5.00 116.67 107.05 2dmf s ASP 10 Ca -0.10 -0.75 -0.15 0.00 -3.30 0.00 0.00 52.55 48.26 2dmf s ASP 10 Cb 0.01 -2.15 0.18 0.00 -1.09 0.00 0.00 42.92 39.86 2dmf s ASP 10 CO 0.20 -0.38 1.06 0.86 0.70 0.00 0.00 175.17 177.61 2dmf s TRP 11 N 1.69 -0.53 -0.23 2.11 -0.00 -1.26 -5.03 118.94 115.69 2dmf s TRP 11 Ca 0.05 0.76 0.18 0.00 -0.00 0.00 0.00 56.10 57.09 2dmf s TRP 11 Cb -0.18 0.26 0.11 0.00 -0.00 0.00 0.00 33.47 33.65 2dmf s TRP 11 CO 0.10 -0.27 1.39 -0.39 -0.00 0.00 0.00 176.95 177.78 2dmf h VAL 12 N 5.36 0.53 -0.55 5.86 -1.51 -1.94 -3.32 116.25 120.69 2dmf h VAL 12 Ca -0.15 -1.78 0.11 0.00 -1.23 0.00 0.00 66.70 63.65 2dmf h VAL 12 Cb 1.14 2.20 -0.11 0.00 -2.13 0.00 0.00 31.29 32.39 2dmf h VAL 12 CO 0.01 0.30 -0.25 0.25 -1.23 0.00 0.00 177.57 176.65 2dmf h LEU 13 N 0.00 -0.88 -0.15 4.19 7.12 -1.95 0.15 115.31 123.80 2dmf h LEU 13 Ca -0.02 0.20 -0.06 0.00 0.13 0.00 0.00 57.88 58.13 2dmf h LEU 13 Cb 1.28 0.47 -0.00 0.00 -0.53 0.00 0.00 40.66 41.88 2dmf h LEU 13 CO 0.04 -0.27 -0.14 1.55 -0.13 0.00 0.00 178.44 179.49 2dmf h PRO 14 N -0.12 0.35 -0.28 5.25 0.13 -2.00 -2.85 132.00 132.48 2dmf h PRO 14 Ca 0.24 -0.19 0.06 0.00 -0.87 0.00 0.00 66.00 65.25 2dmf h PRO 14 Cb 0.51 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.58 2dmf h PRO 14 CO -0.62 0.74 -0.12 0.77 -0.23 0.00 0.00 178.00 178.54 2dmf h SER 15 N -0.02 -0.40 -0.98 1.44 0.02 -1.50 -1.24 113.55 110.87 2dmf h SER 15 Ca 0.02 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2dmf h SER 15 Cb 0.67 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 2dmf h SER 15 CO 0.04 -0.15 0.64 -0.08 -1.14 0.00 0.00 176.83 176.14 2dmf h GLU 16 N -0.07 1.22 -0.67 3.45 4.22 -0.77 -1.80 114.58 120.15 2dmf h GLU 16 Ca 0.15 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.52 2dmf h GLU 16 Cb 0.29 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2dmf h GLU 16 CO -0.33 0.81 0.45 0.28 -2.18 0.00 0.00 179.01 178.03 2dmf h VAL 17 N 1.25 1.17 -0.83 0.32 2.07 -1.01 -1.82 116.25 117.40 2dmf h VAL 17 Ca 0.39 -0.31 0.11 0.00 0.82 0.00 0.00 66.70 67.70 2dmf h VAL 17 Cb -0.02 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 29.87 2dmf h VAL 17 CO -0.12 0.17 0.54 -0.33 0.02 0.00 0.00 177.57 177.85 2dmf h GLU 18 N 0.91 0.72 -0.02 1.57 4.39 -0.39 0.25 114.58 122.02 2dmf h GLU 18 Ca 0.25 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.68 2dmf h GLU 18 Cb -0.10 -0.16 0.02 0.00 -0.10 0.00 0.00 28.75 28.40 2dmf h GLU 18 CO -0.05 0.48 -0.86 0.28 -1.16 0.00 0.00 179.01 177.70 2dmf h VAL 19 N 0.75 1.33 -0.19 3.13 2.07 -1.35 -3.30 116.25 118.68 2dmf h VAL 19 Ca 0.39 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 2dmf h VAL 19 Cb 0.50 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2dmf h VAL 19 CO -0.16 0.65 0.04 -0.07 0.02 0.00 0.00 177.57 178.05 2dmf h LEU 20 N 0.25 0.30 -1.16 2.57 3.38 -0.91 -2.27 115.31 117.46 2dmf h LEU 20 Ca -0.10 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2dmf h LEU 20 Cb 1.52 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2dmf h LEU 20 CO 0.17 0.47 0.33 -0.33 0.09 0.00 0.00 178.44 179.17 2dmf h GLU 21 N 0.11 0.00 0.07 1.13 4.39 -0.63 0.54 114.58 120.20 2dmf h GLU 21 Ca 0.06 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.42 2dmf h GLU 21 Cb 0.29 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 2dmf h GLU 21 CO 0.00 0.00 -1.87 0.45 -1.16 0.00 0.00 179.01 176.43 2dmf n SER 22 N -2.30 2.03 -0.04 1.42 2.88 -0.88 -2.62 113.62 114.11 2dmf n SER 22 Ca -0.01 0.24 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 2dmf n SER 22 Cb 0.36 -0.85 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 2dmf n SER 22 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2dmf h ILE 23 N -0.29 1.34 -0.85 2.46 2.04 -0.54 -3.34 117.51 118.34 2dmf h ILE 23 Ca -0.43 -1.80 -0.47 0.00 1.00 0.00 0.00 64.86 63.16 2dmf h ILE 23 Cb 1.80 2.44 -0.27 0.00 -0.74 0.00 0.00 36.82 40.05 2dmf h ILE 23 CO -0.04 0.42 0.47 -1.22 0.00 0.00 0.00 178.15 177.79 2dmf n TYR 24 N -4.72 2.65 -0.22 1.37 4.01 0.16 -4.75 117.16 115.67 2dmf n TYR 24 Ca -0.08 -2.01 0.15 0.00 -0.16 0.00 0.00 57.90 55.80 2dmf n TYR 24 Cb 0.35 -0.91 0.29 0.00 -0.31 0.00 0.00 39.34 38.75 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 -1.09 0.07 -0.07 7.72 -0.00 -1.08 -0.85 117.00 121.70 2dmf n LEU 25 Ca 0.54 1.10 -0.15 0.00 -0.00 0.00 0.00 56.01 57.50 2dmf n LEU 25 Cb 1.34 -0.47 -0.05 0.00 -0.00 0.00 0.00 43.42 44.24 2dmf n LEU 25 CO 0.54 -1.17 -0.97 0.47 -0.00 0.00 0.00 177.39 176.26 2dmf n ASP 26 N -4.68 1.03 -0.30 1.45 8.00 -1.26 -4.61 116.55 116.18 2dmf n ASP 26 Ca 0.20 0.18 0.29 0.00 0.71 0.00 0.00 54.79 56.17 2dmf n ASP 26 Cb 0.67 -0.43 0.54 0.00 -0.02 0.00 0.00 41.12 41.88 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dmf n GLU 27 N -3.66 -0.05 -4.36 -1.24 -0.58 -0.98 -4.32 120.64 105.45 2dmf n GLU 27 Ca -0.27 1.26 -0.26 0.00 -0.42 0.00 0.00 57.16 57.47 2dmf n GLU 27 Cb 0.68 -2.26 -0.12 0.00 -0.57 0.00 0.00 31.44 29.17 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2dmf s LEU 28 N -10.10 2.37 -0.04 -4.62 0.20 -0.03 -4.20 118.68 102.25 2dmf s LEU 28 Ca -0.08 -0.79 0.06 0.00 0.69 0.00 0.00 54.13 54.01 2dmf s LEU 28 Cb 0.31 -1.03 -0.02 0.00 -0.43 0.00 0.00 46.19 45.02 2dmf s LEU 28 CO 0.71 0.09 -0.21 -1.10 -0.29 0.00 0.00 176.35 175.55 2dmf s GLN 29 N -2.32 2.41 -0.04 1.98 1.11 -0.88 -4.61 119.66 117.30 2dmf s GLN 29 Ca 0.14 -0.84 0.06 0.00 0.01 0.00 0.00 55.36 54.73 2dmf s GLN 29 Cb -0.09 -2.21 -0.01 0.00 -1.01 0.00 0.00 33.01 29.70 2dmf s GLN 29 CO 0.07 0.52 -0.23 0.08 0.01 0.00 0.00 175.29 175.73 2dmf s VAL 30 N -0.49 1.90 -0.04 1.09 1.01 -1.26 -1.44 120.40 121.17 2dmf s VAL 30 Ca 0.06 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.11 2dmf s VAL 30 Cb -0.11 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 2dmf s VAL 30 CO 0.01 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.81 2dmf s ILE 31 N -0.24 2.53 0.04 2.22 -1.09 0.15 -5.00 121.20 119.81 2dmf s ILE 31 Ca -0.00 -0.92 0.01 0.00 -2.23 0.00 0.00 60.65 57.51 2dmf s ILE 31 Cb -0.12 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 2dmf s ILE 31 CO 0.02 0.58 0.10 -0.54 -1.23 0.00 0.00 174.94 173.88 2dmf s LYS 32 N -0.64 3.05 0.00 2.79 1.02 -1.26 -2.97 119.74 121.73 2dmf s LYS 32 Ca 0.10 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.52 2dmf s LYS 32 Cb -0.10 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2dmf s LYS 32 CO -0.00 0.61 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 2dmf n GLY 33 N 0.74 5.93 3.62 -3.33 0.00 -1.26 -4.94 105.19 105.94 2dmf n GLY 33 Ca -0.10 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 0.26 -0.40 0.00 1.61 3.84 -1.26 -4.96 114.94 114.02 2dmf s ASN 34 Ca 0.00 0.70 0.00 0.00 0.21 0.00 0.00 52.86 53.77 2dmf s ASN 34 Cb 0.00 0.68 0.00 0.00 -0.55 0.00 0.00 41.25 41.38 2dmf s ASN 34 CO 0.00 -0.19 0.00 0.61 -2.79 0.00 0.00 177.10 174.73 2dmf n GLY 35 N 1.77 1.55 0.24 1.21 0.00 -1.26 -4.24 105.19 104.45 2dmf n GLY 35 Ca -0.12 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.59 2dmf n GLY 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dmf n ARG 36 N -0.92 -0.25 -0.05 1.61 3.00 -1.26 -1.28 116.66 117.51 2dmf n ARG 36 Ca 0.00 1.18 -0.15 0.00 -0.00 0.00 0.00 57.85 58.88 2dmf n ARG 36 Cb 0.00 -1.74 -0.07 0.00 0.00 0.00 0.00 32.46 30.65 2dmf n ARG 36 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2dmf h THR 37 N 0.00 1.35 -6.71 5.15 1.35 -2.01 -3.47 112.91 108.57 2dmf h THR 37 Ca 0.09 -1.61 -0.46 0.00 -0.55 0.00 0.00 66.41 63.88 2dmf h THR 37 Cb 0.23 1.95 -0.11 0.00 -1.73 0.00 0.00 68.15 68.49 2dmf h THR 37 CO -0.53 0.49 -0.73 -0.24 -0.25 0.00 0.00 175.52 174.26 2dmf n SER 38 N -4.31 -0.40 -4.74 5.36 2.88 -0.40 -3.89 113.62 108.12 2dmf n SER 38 Ca -0.06 -0.96 -0.41 0.00 -1.33 0.00 0.00 58.87 56.11 2dmf n SER 38 Cb 0.51 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.77 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dmf s PRO 39 N -6.43 4.39 -0.29 -1.46 0.04 -1.26 -4.62 135.00 125.36 2dmf s PRO 39 Ca 0.11 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 2dmf s PRO 39 Cb -0.06 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2dmf s PRO 39 CO 0.74 -0.25 0.43 -1.58 0.04 0.00 0.00 177.00 176.38 2dmf s TRP 40 N 0.14 3.24 0.06 0.56 0.52 0.17 -4.26 118.94 119.36 2dmf s TRP 40 Ca 0.57 0.39 -0.13 0.00 0.02 0.00 0.00 56.10 56.94 2dmf s TRP 40 Cb -0.36 -2.68 -0.06 0.00 -1.15 0.00 0.00 33.47 29.22 2dmf s TRP 40 CO 0.38 -0.31 0.44 -2.00 0.02 0.00 0.00 176.95 175.48 2dmf s GLU 41 N 2.18 3.89 -0.02 4.98 2.56 -1.16 -0.56 118.70 130.57 2dmf s GLU 41 Ca 0.17 0.37 -0.06 0.00 0.00 0.00 0.00 54.97 55.45 2dmf s GLU 41 Cb -0.16 -3.09 0.01 0.00 2.00 0.00 0.00 34.13 32.88 2dmf s GLU 41 CO 0.10 0.61 0.13 0.42 -0.56 0.00 0.00 175.26 175.96 2dmf s ILE 42 N -1.26 0.05 0.22 -3.70 1.01 -0.39 0.35 121.20 117.47 2dmf s ILE 42 Ca 0.30 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.60 2dmf s ILE 42 Cb -0.16 -0.31 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 2dmf s ILE 42 CO 0.16 -0.21 -0.01 -0.31 0.00 0.00 0.00 174.94 174.57 2dmf s TYR 43 N -0.70 1.50 -0.26 3.97 2.02 -0.52 -0.81 117.35 122.55 2dmf s TYR 43 Ca -0.08 -0.92 -0.27 0.00 -0.37 0.00 0.00 57.07 55.44 2dmf s TYR 43 Cb -0.05 -0.86 0.15 0.00 -0.40 0.00 0.00 41.96 40.81 2dmf s TYR 43 CO 0.01 -0.04 1.16 -1.50 -1.57 0.00 0.00 175.55 173.60 2dmf s ILE 44 N -3.43 0.00 -0.31 2.71 2.07 -1.16 -2.06 121.20 119.01 2dmf s ILE 44 Ca 0.27 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.48 2dmf s ILE 44 Cb 0.05 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.69 2dmf s ILE 44 CO 0.07 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.25 2dmf s THR 45 N -0.26 3.23 0.52 4.00 2.01 -1.26 -0.00 115.64 123.88 2dmf s THR 45 Ca 0.04 -1.31 -0.21 0.00 0.31 0.00 0.00 61.69 60.52 2dmf s THR 45 Cb -0.04 -2.85 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 2dmf s THR 45 CO -0.07 -0.13 1.15 -0.76 -0.69 0.00 0.00 174.62 174.13 2dmf s LEU 46 N 1.30 3.84 -0.12 4.42 2.01 -1.24 -4.96 118.68 123.92 2dmf s LEU 46 Ca -0.04 2.25 -0.04 0.00 0.01 0.00 0.00 54.13 56.31 2dmf s LEU 46 Cb -0.20 -4.46 0.06 0.00 0.01 0.00 0.00 46.19 41.61 2dmf s LEU 46 CO 0.00 -1.15 0.21 -1.00 1.01 0.00 0.00 176.35 175.42 2dmf s HIS 47 N -1.67 -0.29 0.01 0.29 3.76 -1.26 -4.34 115.29 111.80 2dmf s HIS 47 Ca 0.70 0.67 -0.00 0.00 -0.15 0.00 0.00 55.06 56.28 2dmf s HIS 47 Cb -0.26 -0.20 0.00 0.00 1.11 0.00 0.00 32.58 33.23 2dmf s HIS 47 CO 0.31 -0.36 0.01 -0.35 -0.85 0.00 0.00 174.74 173.49 2dmf n PRO 48 N 5.33 -1.04 -1.70 8.40 -0.04 -1.26 -4.83 135.00 139.85 2dmf n PRO 48 Ca -0.05 -0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 2dmf n PRO 48 Cb 0.50 -0.02 -0.04 0.00 -0.04 0.00 0.00 33.50 33.90 2dmf n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf s ALA 49 N -2.98 1.62 0.06 0.55 0.00 -1.26 -4.88 121.76 114.88 2dmf s ALA 49 Ca 0.01 -0.35 -0.37 0.00 0.00 0.00 0.00 51.96 51.26 2dmf s ALA 49 Cb -0.00 -4.38 -0.19 0.00 0.00 0.00 0.00 23.12 18.55 2dmf s ALA 49 CO 0.01 -4.56 0.97 0.25 0.00 0.00 0.00 175.76 172.42 2dmf n THR 50 N 7.91 0.51 -2.07 0.00 -2.24 -1.26 -4.76 114.28 112.37 2dmf n THR 50 Ca 0.34 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.59 2dmf n THR 50 Cb 0.52 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2dmf n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dmf n ALA 51 N 1.22 3.92 -2.14 6.98 0.00 -1.26 -4.44 120.51 124.79 2dmf n ALA 51 Ca 0.19 -3.68 0.00 0.00 0.00 0.00 0.00 53.44 49.95 2dmf n ALA 51 Cb 0.14 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.01 2dmf n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dmf n GLU 52 N 7.49 -2.60 -2.80 0.00 1.02 -1.26 0.14 120.64 122.63 2dmf n GLU 52 Ca 0.49 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.54 2dmf n GLU 52 Cb 0.43 -3.91 0.05 0.00 -0.02 0.00 0.00 31.44 27.99 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dmf n ASP 53 N -1.13 -2.44 -0.12 1.62 2.03 -1.26 -4.98 116.55 110.27 2dmf n ASP 53 Ca 0.00 -0.38 -0.18 0.00 0.52 0.00 0.00 54.79 54.75 2dmf n ASP 53 Cb 0.40 -3.25 -0.10 0.00 -0.72 0.00 0.00 41.12 37.45 2dmf n ASP 53 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2dmf n GLN 54 N -2.80 0.56 -4.00 -0.67 7.27 0.38 -5.03 117.38 113.08 2dmf n GLN 54 Ca -0.15 0.15 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 2dmf n GLN 54 Cb 0.60 -1.44 -0.03 0.00 2.41 0.00 0.00 30.24 31.78 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2dmf s ASP 55 N -6.45 4.58 -0.70 1.69 1.11 -1.26 -5.05 116.67 110.59 2dmf s ASP 55 Ca -0.32 -1.23 -0.00 0.00 0.18 0.00 0.00 52.55 51.18 2dmf s ASP 55 Cb 0.09 0.22 0.39 0.00 1.07 0.00 0.00 42.92 44.70 2dmf s ASP 55 CO 0.51 -0.96 1.83 -1.54 1.18 0.00 0.00 175.17 176.19 2dmf n SER 56 N -1.61 6.96 -3.56 0.27 3.41 -1.26 -4.85 113.62 112.98 2dmf n SER 56 Ca -0.03 -3.80 -0.21 0.00 -0.26 0.00 0.00 58.87 54.57 2dmf n SER 56 Cb 0.64 -0.90 0.07 0.00 -0.26 0.00 0.00 64.21 63.77 2dmf n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmf n GLN 57 N -0.64 -6.72 -0.33 4.33 1.13 -1.26 -4.89 117.38 108.99 2dmf n GLN 57 Ca 0.53 0.79 -0.11 0.00 -1.94 0.00 0.00 57.00 56.27 2dmf n GLN 57 Cb 0.46 -5.75 -0.09 0.00 0.11 0.00 0.00 30.24 24.98 2dmf n GLN 57 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2dmf h TYR 58 N -2.16 -1.77 -3.03 1.08 3.20 -1.99 -3.36 116.97 108.93 2dmf h TYR 58 Ca -0.59 0.11 -0.57 0.00 3.14 0.00 0.00 58.73 60.83 2dmf h TYR 58 Cb 1.35 0.88 -0.04 0.00 1.54 0.00 0.00 36.73 40.46 2dmf h TYR 58 CO 0.47 -0.41 0.80 0.54 -1.64 0.00 0.00 178.16 177.92 2dmf s VAL 59 N -5.58 4.46 -0.24 1.81 0.11 -1.26 -4.68 120.40 115.01 2dmf s VAL 59 Ca -0.13 1.76 -0.27 0.00 -2.93 0.00 0.00 61.98 60.42 2dmf s VAL 59 Cb 0.11 -4.14 0.12 0.00 -1.53 0.00 0.00 36.38 30.94 2dmf s VAL 59 CO 0.63 -0.11 1.00 0.00 -3.33 0.00 0.00 175.10 173.29 2dmf s PHE 61 N -0.17 0.82 -0.83 0.00 -0.71 -1.26 -2.65 117.98 113.17 2dmf s PHE 61 Ca 0.01 -0.47 -0.25 0.00 -1.04 0.00 0.00 56.93 55.18 2dmf s PHE 61 Cb -0.04 -0.90 -0.06 0.00 -1.21 0.00 0.00 43.02 40.81 2dmf s PHE 61 CO -0.03 -0.46 2.03 0.99 -1.34 0.00 0.00 175.22 176.41 2dmf s THR 62 N 1.93 3.35 -0.39 -4.49 2.01 -0.52 -3.61 115.64 113.92 2dmf s THR 62 Ca 0.02 -0.22 -0.27 0.00 0.31 0.00 0.00 61.69 61.53 2dmf s THR 62 Cb -0.14 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2dmf s THR 62 CO -0.07 -0.76 2.10 -0.22 -0.69 0.00 0.00 174.62 174.99 2dmf s LEU 63 N 10.81 3.42 -0.27 4.42 0.20 1.00 -2.62 118.68 135.64 2dmf s LEU 63 Ca 0.74 1.24 -0.25 0.00 0.69 0.00 0.00 54.13 56.56 2dmf s LEU 63 Cb -0.09 -3.06 -0.00 0.00 -0.43 0.00 0.00 46.19 42.61 2dmf s LEU 63 CO 0.04 -2.23 0.84 -0.69 -0.29 0.00 0.00 176.35 174.02 2dmf s VAL 64 N 9.20 4.80 -0.35 1.68 1.01 -0.61 -3.00 120.40 133.13 2dmf s VAL 64 Ca 0.89 1.48 0.00 0.00 0.00 0.00 0.00 61.98 64.35 2dmf s VAL 64 Cb -0.22 -4.15 0.09 0.00 0.00 0.00 0.00 36.38 32.09 2dmf s VAL 64 CO 0.30 -0.16 0.08 -0.76 0.00 0.00 0.00 175.10 174.56 2dmf s LEU 65 N 2.95 4.62 -0.41 3.92 1.43 0.01 -2.47 118.68 128.72 2dmf s LEU 65 Ca 0.35 -1.83 -0.16 0.00 -1.03 0.00 0.00 54.13 51.46 2dmf s LEU 65 Cb -0.15 -1.71 0.02 0.00 0.03 0.00 0.00 46.19 44.38 2dmf s LEU 65 CO 0.09 -0.39 0.35 -1.58 0.23 0.00 0.00 176.35 175.05 2dmf s GLN 66 N 1.09 3.04 -0.49 1.70 0.74 -1.11 -1.26 119.66 123.36 2dmf s GLN 66 Ca 0.04 -0.90 -0.21 0.00 0.05 0.00 0.00 55.36 54.34 2dmf s GLN 66 Cb -0.21 -3.97 0.04 0.00 1.10 0.00 0.00 33.01 29.97 2dmf s GLN 66 CO -0.05 -0.78 0.73 0.08 -0.55 0.00 0.00 175.29 174.72 2dmf s VAL 67 N 1.87 4.71 0.34 1.34 1.01 0.27 -1.56 120.40 128.38 2dmf s VAL 67 Ca 0.08 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2dmf s VAL 67 Cb -0.18 -4.33 0.08 0.00 0.00 0.00 0.00 36.38 31.95 2dmf s VAL 67 CO 0.11 -0.80 0.30 -0.81 0.00 0.00 0.00 175.10 173.90 2dmf n PRO 68 N 6.59 -1.62 0.10 2.72 -0.04 -1.26 -0.66 135.00 140.83 2dmf n PRO 68 Ca -0.02 -0.48 -0.20 0.00 -0.04 0.00 0.00 63.50 62.76 2dmf n PRO 68 Cb 0.47 -0.45 -0.12 0.00 -0.04 0.00 0.00 33.50 33.36 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 -2.21 0.05 -0.95 0.55 0.00 -1.88 -3.29 119.26 111.54 2dmf h ALA 69 Ca -0.11 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2dmf h ALA 69 Cb 0.34 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2dmf h ALA 69 CO 0.07 0.77 0.59 0.93 0.00 0.00 0.00 179.25 181.61 2dmf h GLU 70 N 0.21 1.27 -4.30 0.00 5.08 -1.91 -3.45 114.58 111.49 2dmf h GLU 70 Ca -0.17 -0.10 -0.48 0.00 -1.00 0.00 0.00 59.36 57.61 2dmf h GLU 70 Cb 1.92 -0.27 0.08 0.00 0.50 0.00 0.00 28.75 30.98 2dmf h GLU 70 CO 0.23 0.87 -0.42 0.98 -1.00 0.00 0.00 179.01 179.67 2dmf n TYR 71 N -4.37 -0.51 0.19 4.33 4.19 -1.23 -1.72 117.16 118.04 2dmf n TYR 71 Ca 0.11 0.66 0.04 0.00 3.31 0.00 0.00 57.90 62.02 2dmf n TYR 71 Cb 0.04 -1.39 0.37 0.00 0.49 0.00 0.00 39.34 38.85 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 0.65 0.00 -0.56 2.98 0.13 -1.86 -3.44 132.00 129.89 2dmf h PRO 72 Ca -0.21 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.15 2dmf h PRO 72 Cb 1.03 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.07 2dmf h PRO 72 CO 0.40 0.38 0.32 0.72 -0.23 0.00 0.00 178.00 179.59 2dmf n HIS 73 N -3.78 0.58 -4.65 1.56 8.25 -0.70 -3.76 115.22 112.72 2dmf n HIS 73 Ca -0.01 0.58 -0.33 0.00 -0.26 0.00 0.00 57.72 57.70 2dmf n HIS 73 Cb 0.46 -1.02 -0.13 0.00 1.12 0.00 0.00 29.99 30.42 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 -4.75 3.41 0.39 -0.41 2.56 -1.23 -4.76 118.70 113.91 2dmf s GLU 74 Ca -0.05 -0.62 -0.26 0.00 0.00 0.00 0.00 54.97 54.04 2dmf s GLU 74 Cb 0.18 -2.71 -0.09 0.00 2.00 0.00 0.00 34.13 33.51 2dmf s GLU 74 CO 0.42 0.27 1.23 0.14 -0.56 0.00 0.00 175.26 176.75 2dmf s VAL 75 N 0.24 2.93 0.22 3.70 -7.23 -1.25 -3.58 120.40 115.44 2dmf s VAL 75 Ca -0.07 0.82 -0.30 0.00 -1.81 0.00 0.00 61.98 60.63 2dmf s VAL 75 Cb -0.15 -3.48 -0.09 0.00 0.56 0.00 0.00 36.38 33.22 2dmf s VAL 75 CO 0.04 0.11 1.29 -2.16 -0.31 0.00 0.00 175.10 174.07 2dmf s PRO 76 N -2.19 4.41 -0.35 4.82 0.04 -1.26 -4.80 135.00 135.67 2dmf s PRO 76 Ca 0.56 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.36 2dmf s PRO 76 Cb -0.34 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 2dmf s PRO 76 CO 0.44 -0.20 2.00 -1.14 0.04 0.00 0.00 177.00 178.14 2dmf s GLN 77 N -0.46 3.04 -0.23 4.56 2.00 -0.60 -4.72 119.66 123.25 2dmf s GLN 77 Ca 0.54 1.50 -0.20 0.00 -2.00 0.00 0.00 55.36 55.21 2dmf s GLN 77 Cb -0.36 -4.32 -0.02 0.00 0.80 0.00 0.00 33.01 29.10 2dmf s GLN 77 CO 0.40 -2.21 0.59 0.42 -0.50 0.00 0.00 175.29 173.99 2dmf s ILE 78 N 8.20 5.03 0.01 -2.34 1.01 -1.26 -2.77 121.20 129.09 2dmf s ILE 78 Ca 0.86 1.07 0.01 0.00 0.00 0.00 0.00 60.65 62.59 2dmf s ILE 78 Cb -0.24 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 2dmf s ILE 78 CO 0.32 0.09 -0.05 -0.44 0.00 0.00 0.00 174.94 174.86 2dmf s SER 79 N 1.34 0.54 -0.28 3.58 0.01 -1.03 -4.96 113.70 112.90 2dmf s SER 79 Ca 0.26 -0.19 -0.20 0.00 1.31 0.00 0.00 55.95 57.12 2dmf s SER 79 Cb -0.16 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2dmf s SER 79 CO 0.09 -0.02 0.63 -0.63 0.41 0.00 0.00 173.24 173.72 2dmf s ILE 80 N -0.42 4.96 0.09 1.44 -1.09 -1.26 -1.57 121.20 123.34 2dmf s ILE 80 Ca -0.02 0.99 0.09 0.00 -2.23 0.00 0.00 60.65 59.48 2dmf s ILE 80 Cb -0.04 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2dmf s ILE 80 CO -0.00 -0.06 -0.20 -0.60 -1.23 0.00 0.00 174.94 172.86 2dmf s ARG 81 N 2.55 1.84 -1.29 2.79 3.52 -1.08 -4.72 118.95 122.56 2dmf s ARG 81 Ca 0.26 -1.13 -0.07 0.00 -0.13 0.00 0.00 55.73 54.66 2dmf s ARG 81 Cb -0.15 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.13 2dmf s ARG 81 CO 0.10 0.50 0.61 0.09 -0.81 0.00 0.00 175.30 175.79 2dmf n ASN 82 N 1.14 -2.17 -4.72 -2.12 3.02 -1.26 -1.43 115.26 107.72 2dmf n ASN 82 Ca -0.16 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.01 2dmf n ASN 82 Cb 0.52 -3.42 -0.03 0.00 -0.61 0.00 0.00 39.78 36.24 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dmf s PRO 83 N -6.21 4.34 -0.02 3.52 0.04 -1.26 -4.32 135.00 131.09 2dmf s PRO 83 Ca 0.16 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.24 2dmf s PRO 83 Cb -0.06 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2dmf s PRO 83 CO 0.86 -0.39 -0.03 0.50 0.04 0.00 0.00 177.00 177.97 2dmf s ARG 84 N 0.95 0.45 0.00 4.56 6.06 -1.09 -4.85 118.95 125.03 2dmf s ARG 84 Ca 0.63 -0.10 0.00 0.00 -2.50 0.00 0.00 55.73 53.76 2dmf s ARG 84 Cb -0.36 -0.48 0.00 0.00 0.06 0.00 0.00 34.95 34.17 2dmf s ARG 84 CO 0.31 0.01 0.00 0.41 -2.50 0.00 0.00 175.30 173.53 2dmf n GLY 85 N 3.45 1.31 3.85 8.12 0.00 -1.26 -3.52 105.19 117.14 2dmf n GLY 85 Ca -0.19 -0.09 -0.31 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 3.14 0.32 0.99 1.43 -1.26 -4.87 118.68 118.43 2dmf s LEU 86 Ca 0.00 1.48 0.09 0.00 -1.03 0.00 0.00 54.13 54.67 2dmf s LEU 86 Cb 0.00 -4.42 -0.05 0.00 0.03 0.00 0.00 46.19 41.75 2dmf s LEU 86 CO 0.00 -1.20 0.07 -0.44 0.23 0.00 0.00 176.35 175.01 2dmf s SER 87 N -4.01 4.49 0.31 2.29 0.01 -1.26 -4.92 113.70 110.61 2dmf s SER 87 Ca 0.57 -0.81 0.07 0.00 1.31 0.00 0.00 55.95 57.09 2dmf s SER 87 Cb -0.12 -0.69 0.88 0.00 0.21 0.00 0.00 66.02 66.29 2dmf s SER 87 CO 0.54 -0.21 1.63 -2.24 0.41 0.00 0.00 173.24 173.37 2dmf h ASP 88 N 1.71 0.07 0.02 2.44 3.04 -1.97 0.11 116.42 121.83 2dmf h ASP 88 Ca -0.43 0.22 -0.00 0.00 -3.24 0.00 0.00 57.03 53.57 2dmf h ASP 88 Cb 1.25 0.28 0.00 0.00 -1.04 0.00 0.00 39.33 39.82 2dmf h ASP 88 CO 0.64 -0.22 -0.01 -0.08 -2.04 0.00 0.00 179.24 177.52 2dmf h GLU 89 N 0.17 -0.03 -0.93 4.15 4.81 -1.95 -2.41 114.58 118.40 2dmf h GLU 89 Ca 0.64 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 60.01 2dmf h GLU 89 Cb 1.40 0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.64 2dmf h GLU 89 CO -0.71 -0.02 -0.41 1.96 -0.73 0.00 0.00 179.01 179.11 2dmf h GLN 90 N -0.03 -0.03 -0.07 1.92 4.20 -1.84 -1.30 115.11 117.96 2dmf h GLN 90 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 2dmf h GLN 90 Cb 0.02 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 2dmf h GLN 90 CO 0.00 -0.02 -0.32 0.82 -0.67 0.00 0.00 178.83 178.65 2dmf h ILE 91 N -0.03 0.00 -0.72 2.54 2.04 -0.89 -1.87 117.51 118.58 2dmf h ILE 91 Ca 0.31 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.30 2dmf h ILE 91 Cb 0.57 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 2dmf h ILE 91 CO -0.94 0.00 -0.22 1.57 0.00 0.00 0.00 178.15 178.57 2dmf n HIS 92 N -4.22 0.17 -0.13 1.37 -0.00 -0.52 0.15 115.22 112.04 2dmf n HIS 92 Ca -0.04 0.89 -0.04 0.00 0.46 0.00 0.00 57.72 58.99 2dmf n HIS 92 Cb 0.22 -0.87 0.04 0.00 -0.12 0.00 0.00 29.99 29.26 2dmf n HIS 92 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dmf h THR 93 N 0.00 0.67 -0.59 3.57 2.02 -1.03 -1.96 112.91 115.58 2dmf h THR 93 Ca 0.31 -0.04 0.12 0.00 0.77 0.00 0.00 66.41 67.57 2dmf h THR 93 Cb 0.49 0.55 -0.11 0.00 -1.74 0.00 0.00 68.15 67.34 2dmf h THR 93 CO -0.74 0.02 -0.15 0.40 0.37 0.00 0.00 175.52 175.42 2dmf h ILE 94 N 0.11 0.40 0.00 3.11 2.04 0.17 -1.85 117.51 121.50 2dmf h ILE 94 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2dmf h ILE 94 Cb 0.31 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2dmf h ILE 94 CO -0.36 0.00 0.00 0.18 0.00 0.00 0.00 178.15 177.97 2dmf n LEU 95 N -5.41 0.00 -0.29 1.44 4.32 -0.77 -1.56 117.00 114.73 2dmf n LEU 95 Ca 0.07 0.99 -0.02 0.00 -0.02 0.00 0.00 56.01 57.02 2dmf n LEU 95 Cb 0.31 -0.49 0.01 0.00 -1.62 0.00 0.00 43.42 41.63 2dmf n LEU 95 CO 0.06 -0.49 0.42 0.00 -1.22 0.00 0.00 177.39 176.17 2dmf n GLN 96 N -2.18 -0.21 0.00 3.23 1.13 -1.03 -1.10 117.38 117.23 2dmf n GLN 96 Ca 0.00 1.15 0.00 0.00 -1.94 0.00 0.00 57.00 56.21 2dmf n GLN 96 Cb 0.00 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 28.65 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2dmf n VAL 97 N -5.07 0.00 -0.29 5.09 0.31 -0.71 -1.65 118.33 116.01 2dmf n VAL 97 Ca 0.06 1.46 0.24 0.00 -0.01 0.00 0.00 64.34 66.09 2dmf n VAL 97 Cb 0.28 -2.27 0.44 0.00 -0.91 0.00 0.00 33.84 31.38 2dmf n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2dmf n LEU 98 N -2.24 0.18 -0.14 7.52 4.77 -0.44 0.13 117.00 126.78 2dmf n LEU 98 Ca 0.00 1.49 -0.08 0.00 -0.03 0.00 0.00 56.01 57.39 2dmf n LEU 98 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 2dmf n LEU 98 CO 0.00 -1.62 1.00 1.23 -1.33 0.00 0.00 177.39 176.67 2dmf h GLY 99 N 0.00 0.64 0.20 -0.72 0.00 -0.50 -2.74 103.07 99.96 2dmf h GLY 99 Ca 0.69 -0.29 0.15 0.00 0.00 0.00 0.00 47.33 47.88 2dmf h GLY 99 CO -0.73 0.28 0.41 0.84 0.00 0.00 0.00 176.54 177.34 2dmf h HIS 100 N 0.56 0.72 -0.68 5.60 -0.00 0.21 0.70 115.15 122.25 2dmf h HIS 100 Ca 0.15 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.57 2dmf h HIS 100 Cb 0.05 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.23 2dmf h HIS 100 CO -0.02 0.16 0.45 0.28 -0.00 0.00 0.00 177.93 178.80 2dmf h VAL 101 N 0.59 1.17 0.55 5.26 2.07 -1.25 -1.85 116.25 122.80 2dmf h VAL 101 Ca 0.46 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2dmf h VAL 101 Cb 0.66 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2dmf h VAL 101 CO -0.37 0.17 -0.27 0.00 0.02 0.00 0.00 177.57 177.12 2dmf h ALA 102 N 1.58 -0.88 -0.99 1.67 0.00 -0.76 -1.47 119.26 118.41 2dmf h ALA 102 Ca 0.25 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.25 2dmf h ALA 102 Cb -0.09 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 2dmf h ALA 102 CO -0.06 -0.83 0.56 0.87 0.00 0.00 0.00 179.25 179.79 2dmf h LYS 103 N -0.99 0.50 0.00 0.00 1.57 -1.32 0.89 116.57 117.21 2dmf h LYS 103 Ca -0.08 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2dmf h LYS 103 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2dmf h LYS 103 CO 0.12 0.33 -0.30 0.00 -0.57 0.00 0.00 179.45 179.03 2dmf h ALA 104 N 1.75 1.07 -0.87 3.86 0.00 -1.32 -3.10 119.26 120.65 2dmf h ALA 104 Ca 0.64 -0.27 -0.61 0.00 0.00 0.00 0.00 54.91 54.67 2dmf h ALA 104 Cb 1.26 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.65 2dmf h ALA 104 CO -0.50 0.38 0.05 0.41 0.00 0.00 0.00 179.25 179.58 2dmf n GLY 105 N 0.03 6.12 3.79 0.00 0.00 0.30 -5.03 105.19 110.39 2dmf n GLY 105 Ca -0.00 -2.46 -0.33 0.00 0.00 0.00 0.00 46.02 43.22 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 -3.71 3.52 -0.19 0.99 1.43 -0.76 -3.21 118.68 116.75 2dmf s LEU 106 Ca 0.58 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 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 -1.30 0.00 0.61 0.23 0.00 0.00 176.35 175.90 2dmf n GLY 107 N -0.61 0.39 2.07 -3.19 0.00 -1.26 -4.94 105.19 97.65 2dmf n GLY 107 Ca 0.10 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2dmf n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dmf n THR 108 N -2.49 0.00 -2.53 2.61 -2.24 -1.20 -4.95 114.28 103.48 2dmf n THR 108 Ca -0.02 -1.21 -0.43 0.00 -2.27 0.00 0.00 64.05 60.13 2dmf n THR 108 Cb 0.29 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 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 -2.45 3.58 -0.03 6.98 0.00 -1.26 -4.78 121.76 123.80 2dmf s ALA 109 Ca 0.20 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.38 2dmf s ALA 109 Cb -0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2dmf s ALA 109 CO 0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 175.76 174.59 2dmf n MET 110 N 6.70 1.97 0.00 0.00 3.85 -1.26 -4.70 117.12 123.69 2dmf n MET 110 Ca 0.13 0.01 0.00 0.00 -1.00 0.00 0.00 57.70 56.84 2dmf n MET 110 Cb 0.46 -1.06 0.00 0.00 -1.05 0.00 0.00 33.22 31.57 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 -2.32 0.00 -0.28 3.17 4.77 -1.26 0.11 117.00 121.18 2dmf n LEU 111 Ca -0.05 0.67 0.10 0.00 -0.03 0.00 0.00 56.01 56.71 2dmf n LEU 111 Cb 0.57 -0.34 0.25 0.00 -2.33 0.00 0.00 43.42 41.57 2dmf n LEU 111 CO 0.04 -0.34 0.95 0.22 -1.33 0.00 0.00 177.39 176.93 2dmf h TYR 112 N 0.00 0.35 0.32 -1.77 5.03 -1.96 -2.14 116.97 116.79 2dmf h TYR 112 Ca 0.00 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 2dmf h TYR 112 Cb 0.00 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.26 2dmf h TYR 112 CO -0.63 -0.14 -0.15 0.93 -1.32 0.00 0.00 178.16 176.84 2dmf h GLU 113 N 0.26 -0.41 -0.80 1.82 5.08 0.44 -2.39 114.58 118.58 2dmf h GLU 113 Ca 0.50 0.03 0.27 0.00 -1.00 0.00 0.00 59.36 59.16 2dmf h GLU 113 Cb 0.94 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.14 2dmf h GLU 113 CO -0.59 -0.27 0.20 1.28 -1.00 0.00 0.00 179.01 178.63 2dmf n LEU 114 N -3.16 0.07 0.06 1.33 4.77 0.16 0.13 117.00 120.37 2dmf n LEU 114 Ca -0.05 1.34 -0.13 0.00 -0.03 0.00 0.00 56.01 57.14 2dmf n LEU 114 Cb 0.17 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 2dmf n LEU 114 CO 0.13 -1.42 0.80 0.40 -1.33 0.00 0.00 177.39 175.97 2dmf h ILE 115 N 0.00 0.99 -0.18 -0.08 2.04 -1.24 -3.03 117.51 116.01 2dmf h ILE 115 Ca 0.57 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 66.28 2dmf h ILE 115 Cb 1.35 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 2dmf h ILE 115 CO -0.69 0.05 -0.37 -0.33 0.00 0.00 0.00 178.15 176.81 2dmf h GLU 116 N -0.18 -0.40 -0.65 2.37 5.08 0.17 -2.54 114.58 118.43 2dmf h GLU 116 Ca -0.01 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2dmf h GLU 116 Cb 0.15 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.40 2dmf h GLU 116 CO 0.01 -0.27 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.03 2dmf h LYS 117 N -0.42 -0.15 -0.86 2.33 1.63 -1.35 0.10 116.57 117.85 2dmf h LYS 117 Ca 0.10 0.01 0.22 0.00 -0.85 0.00 0.00 60.65 60.13 2dmf h LYS 117 Cb 0.58 0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 32.10 2dmf h LYS 117 CO -0.41 -0.10 0.10 0.78 -3.45 0.00 0.00 179.45 176.37 2dmf h GLY 118 N -0.15 1.13 -0.11 5.01 0.00 -1.34 0.30 103.07 107.91 2dmf h GLY 118 Ca 0.11 0.07 0.20 0.00 0.00 0.00 0.00 47.33 47.71 2dmf h GLY 118 CO -0.69 -0.37 0.37 0.50 0.00 0.00 0.00 176.54 176.34 2dmf h LYS 119 N 0.12 0.41 0.29 4.80 1.57 -0.48 -1.67 116.57 121.61 2dmf h LYS 119 Ca 0.51 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.25 2dmf h LYS 119 Cb 0.99 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2dmf h LYS 119 CO -0.73 0.27 -0.14 0.93 -0.57 0.00 0.00 179.45 179.21 2dmf h GLU 120 N 0.42 -0.38 -0.74 3.15 5.08 -0.22 -3.02 114.58 118.87 2dmf h GLU 120 Ca 0.52 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 59.02 2dmf h GLU 120 Cb 0.94 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 2dmf h GLU 120 CO -0.50 -0.25 -0.30 -0.89 -1.00 0.00 0.00 179.01 176.07 2dmf n ILE 121 N -3.92 -0.40 0.12 3.13 5.41 -0.82 0.21 119.36 123.09 2dmf n ILE 121 Ca -0.05 1.74 -0.14 0.00 1.00 0.00 0.00 62.75 65.29 2dmf n ILE 121 Cb 0.15 -2.28 -0.07 0.00 -0.71 0.00 0.00 39.64 36.73 2dmf n ILE 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dmf h LEU 122 N 0.00 -1.21 -0.81 1.39 6.46 -1.41 -1.96 115.31 117.76 2dmf h LEU 122 Ca 0.25 0.13 0.25 0.00 -0.12 0.00 0.00 57.88 58.39 2dmf h LEU 122 Cb 0.44 0.45 -0.15 0.00 -0.73 0.00 0.00 40.66 40.67 2dmf h LEU 122 CO -0.73 -0.49 0.09 0.41 -0.62 0.00 0.00 178.44 177.10 2dmf n THR 123 N -5.46 -0.34 0.22 1.05 -1.04 0.13 0.62 114.28 109.46 2dmf n THR 123 Ca -0.07 1.77 -0.15 0.00 -2.04 0.00 0.00 64.05 63.55 2dmf n THR 123 Cb 0.38 -2.63 -0.08 0.00 -1.82 0.00 0.00 70.33 66.17 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 -0.45 -3.33 8.00 3.32 -1.10 -3.35 116.42 119.51 2dmf h ASP 124 Ca 0.53 -0.05 -0.70 0.00 0.02 0.00 0.00 57.03 56.84 2dmf h ASP 124 Cb 1.17 0.12 -0.36 0.00 0.22 0.00 0.00 39.33 40.48 2dmf h ASP 124 CO -0.74 -0.23 -0.15 0.20 -1.72 0.00 0.00 179.24 176.59 2dmf s ASN 125 N -4.81 5.85 -0.01 6.45 0.01 0.20 -4.79 114.94 117.85 2dmf s ASN 125 Ca -0.15 -3.72 -0.03 0.00 -0.71 0.00 0.00 52.86 48.24 2dmf s ASN 125 Cb 0.04 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 2dmf s ASN 125 CO 0.61 -0.18 -0.07 -0.46 -1.51 0.00 0.00 177.10 175.49 2dmf n ASN 126 N 2.31 0.81 -4.60 -1.22 6.94 -0.84 -4.73 115.26 113.93 2dmf n ASN 126 Ca 0.21 0.12 -0.46 0.00 -0.02 0.00 0.00 54.58 54.43 2dmf n ASN 126 Cb 0.37 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.48 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2dmf n ILE 127 N -3.46 1.47 -2.17 1.53 2.08 -1.26 -4.83 119.36 112.72 2dmf n ILE 127 Ca -0.07 -0.37 -0.42 0.00 0.56 0.00 0.00 62.75 62.45 2dmf n ILE 127 Cb 0.36 -1.05 -0.03 0.00 -0.75 0.00 0.00 39.64 38.18 2dmf n ILE 127 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2dmf s PRO 128 N -1.00 4.25 -0.29 0.38 0.04 -1.26 -4.99 135.00 132.13 2dmf s PRO 128 Ca 0.65 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.55 2dmf s PRO 128 Cb -0.74 -3.68 0.12 0.00 0.04 0.00 0.00 34.50 30.25 2dmf s PRO 128 CO 0.56 -0.66 0.83 -1.58 0.04 0.00 0.00 177.00 176.19 2dmf s HIS 129 N 2.86 -0.84 0.00 0.56 2.46 -1.26 -5.16 115.29 113.91 2dmf s HIS 129 Ca 0.66 1.65 0.00 0.00 0.47 0.00 0.00 55.06 57.83 2dmf s HIS 129 Cb -0.32 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2dmf s HIS 129 CO 0.26 -0.42 0.00 0.41 -2.47 0.00 0.00 174.74 172.53 2dmf n GLY 130 N 4.18 -1.03 3.77 1.59 0.00 -1.26 -5.07 105.19 107.37 2dmf n GLY 130 Ca -0.18 -2.21 -0.23 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.42 2.44 0.06 1.61 -2.07 -1.26 -5.13 119.66 114.88 2dmf s GLN 131 Ca 0.00 -1.53 -0.00 0.00 -1.82 0.00 0.00 55.36 52.01 2dmf s GLN 131 Cb 0.00 -2.23 -0.04 0.00 -1.09 0.00 0.00 33.01 29.65 2dmf s GLN 131 CO 0.00 0.06 0.21 0.45 -1.32 0.00 0.00 175.29 174.69 2dmf s SER 132 N -3.90 6.35 -0.50 12.60 0.15 -1.26 -4.94 113.70 122.19 2dmf s SER 132 Ca 0.39 0.27 0.07 0.00 0.70 0.00 0.00 55.95 57.38 2dmf s SER 132 Cb -0.03 -1.95 0.19 0.00 -1.71 0.00 0.00 66.02 62.52 2dmf s SER 132 CO 0.24 0.17 0.68 -0.83 1.20 0.00 0.00 173.24 174.71 2dmf s GLY 133 N -2.48 -1.04 0.00 9.45 0.00 -1.26 -4.98 107.32 107.01 2dmf s GLY 133 Ca 0.35 -0.55 0.15 0.00 0.00 0.00 0.00 44.72 44.66 2dmf s GLY 133 CO 0.27 3.52 1.42 -1.55 0.00 0.00 0.00 173.10 176.77 2dmf n PRO 134 N 3.06 0.15 -1.68 2.90 -0.04 -1.26 -4.48 135.00 133.66 2dmf n PRO 134 Ca 0.18 0.18 -0.21 0.00 -0.04 0.00 0.00 63.50 63.61 2dmf n PRO 134 Cb 0.55 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2dmf n PRO 134 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dmf s SER 135 N -2.70 4.28 0.08 3.54 0.01 -1.26 -4.86 113.70 112.79 2dmf s SER 135 Ca 0.12 0.13 -0.10 0.00 1.31 0.00 0.00 55.95 57.40 2dmf s SER 135 Cb 0.10 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.79 2dmf s SER 135 CO 0.24 -3.42 0.24 -0.94 0.41 0.00 0.00 173.24 169.77 2dmf s SER 136 N 10.48 0.03 0.00 2.44 1.04 -1.26 -5.10 113.70 121.32 2dmf s SER 136 Ca 0.88 -0.51 0.07 0.00 0.48 0.00 0.00 55.95 56.87 2dmf s SER 136 Cb -0.13 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.40 2dmf s SER 136 CO 0.10 -0.71 0.72 0.61 0.98 0.00 0.00 173.24 174.94