#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 5.80 -4.39 1.61 7.64 -1.26 -5.01 113.62 118.02 2dmf n SER 2 Ca 0.00 -3.76 -0.26 0.00 1.01 0.00 0.00 58.87 55.85 2dmf n SER 2 Cb 0.00 -0.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 2dmf n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmf s SER 3 N -2.99 3.19 0.00 6.43 0.15 -1.26 -4.95 113.70 114.28 2dmf s SER 3 Ca 0.55 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dmf s SER 3 Cb 0.44 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 2dmf s SER 3 CO -0.02 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dmf n GLY 4 N 0.53 0.53 2.80 9.45 0.00 -1.26 -4.74 105.19 112.50 2dmf n GLY 4 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2dmf n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dmf n SER 5 N 0.00 -4.49 -4.29 1.61 2.88 -1.26 -4.98 113.62 103.09 2dmf n SER 5 Ca 0.00 -0.35 -0.45 0.00 -1.33 0.00 0.00 58.87 56.74 2dmf n SER 5 Cb 0.00 -3.38 -0.04 0.00 -0.75 0.00 0.00 64.21 60.04 2dmf n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmf s SER 6 N -3.27 6.32 0.00 -3.46 0.01 -1.26 -4.80 113.70 107.24 2dmf s SER 6 Ca 0.33 -2.30 0.00 0.00 1.31 0.00 0.00 55.95 55.29 2dmf s SER 6 Cb -0.15 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2dmf s SER 6 CO 0.46 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dmf n GLY 7 N 4.48 -1.11 3.68 3.44 0.00 -1.26 -4.93 105.19 109.49 2dmf n GLY 7 Ca 0.01 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 2dmf n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmf s GLU 8 N 0.47 1.80 0.27 1.61 2.56 -1.26 -5.05 118.70 119.09 2dmf s GLU 8 Ca 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 54.97 53.72 2dmf s GLU 8 Cb 0.00 0.53 0.35 0.00 2.00 0.00 0.00 34.13 37.01 2dmf s GLU 8 CO 0.00 -0.79 1.62 1.05 -0.56 0.00 0.00 175.26 176.59 2dmf h GLU 9 N 2.12 0.21 -5.91 4.30 4.11 -2.03 -3.43 114.58 113.95 2dmf h GLU 9 Ca -0.26 -0.12 -0.63 0.00 0.07 0.00 0.00 59.36 58.42 2dmf h GLU 9 Cb 1.25 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2dmf h GLU 9 CO 0.34 0.69 -0.51 0.34 0.07 0.00 0.00 179.01 179.93 2dmf s ASP 10 N -6.89 6.24 -0.30 3.06 -1.08 -1.26 -5.09 116.67 111.36 2dmf s ASP 10 Ca -0.04 0.26 -0.13 0.00 -0.52 0.00 0.00 52.55 52.12 2dmf s ASP 10 Cb 0.13 -1.91 0.18 0.00 -1.46 0.00 0.00 42.92 39.85 2dmf s ASP 10 CO 0.78 0.21 1.01 0.86 0.52 0.00 0.00 175.17 178.55 2dmf s TRP 11 N -1.42 -0.63 -0.81 -5.34 -0.00 -1.26 -5.02 118.94 104.47 2dmf s TRP 11 Ca 0.31 0.82 0.26 0.00 -0.00 0.00 0.00 56.10 57.49 2dmf s TRP 11 Cb -0.13 0.28 0.66 0.00 -0.00 0.00 0.00 33.47 34.29 2dmf s TRP 11 CO 0.23 -0.33 1.57 1.33 -0.00 0.00 0.00 176.95 179.75 2dmf n VAL 12 N 5.24 0.27 -0.04 5.86 0.24 -1.26 -3.98 118.33 124.66 2dmf n VAL 12 Ca -0.07 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 2dmf n VAL 12 Cb 0.53 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 2dmf n VAL 12 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2dmf h LEU 13 N 0.00 -0.02 0.03 1.34 6.46 -1.95 -2.43 115.31 118.74 2dmf h LEU 13 Ca 0.00 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2dmf h LEU 13 Cb 0.65 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2dmf h LEU 13 CO 0.00 0.02 -0.01 1.55 -0.62 0.00 0.00 178.44 179.38 2dmf h PRO 14 N 0.10 -0.03 -0.97 5.25 0.13 -2.00 -2.91 132.00 131.57 2dmf h PRO 14 Ca 0.09 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.51 2dmf h PRO 14 Cb 0.10 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.10 2dmf h PRO 14 CO -0.14 0.44 0.49 0.77 -0.23 0.00 0.00 178.00 179.33 2dmf h SER 15 N -0.52 0.42 -0.17 1.44 0.02 -1.67 0.19 113.55 113.26 2dmf h SER 15 Ca -0.00 0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 2dmf h SER 15 Cb 0.49 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2dmf h SER 15 CO 0.01 -0.10 -0.11 -0.08 -1.14 0.00 0.00 176.83 175.41 2dmf h GLU 16 N 0.34 0.37 -0.63 3.45 4.57 -1.44 -3.19 114.58 118.06 2dmf h GLU 16 Ca 0.67 -0.18 0.11 0.00 -1.18 0.00 0.00 59.36 58.79 2dmf h GLU 16 Cb 1.45 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.95 2dmf h GLU 16 CO -0.59 0.71 0.18 0.28 -1.18 0.00 0.00 179.01 178.40 2dmf h VAL 17 N 0.04 0.67 -0.74 0.32 2.07 -0.46 0.74 116.25 118.89 2dmf h VAL 17 Ca 0.03 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.59 2dmf h VAL 17 Cb 0.61 0.32 -0.14 0.00 -1.52 0.00 0.00 31.29 30.57 2dmf h VAL 17 CO 0.03 0.06 -0.17 -0.33 0.02 0.00 0.00 177.57 177.17 2dmf h GLU 18 N 0.32 0.00 -0.07 1.57 4.39 -1.25 0.41 114.58 119.95 2dmf h GLU 18 Ca 0.33 -0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.81 2dmf h GLU 18 Cb 0.48 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2dmf h GLU 18 CO -0.38 0.00 -0.80 0.28 -1.16 0.00 0.00 179.01 176.95 2dmf h VAL 19 N 0.00 1.31 -0.22 3.13 2.07 -1.39 -3.00 116.25 118.16 2dmf h VAL 19 Ca 0.36 -2.06 0.06 0.00 0.82 0.00 0.00 66.70 65.88 2dmf h VAL 19 Cb 0.55 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 2dmf h VAL 19 CO -0.76 0.63 0.16 -0.07 0.02 0.00 0.00 177.57 177.56 2dmf h LEU 20 N 0.33 0.00 -0.05 2.57 3.38 0.76 -0.79 115.31 121.51 2dmf h LEU 20 Ca -0.08 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.64 2dmf h LEU 20 Cb 1.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.21 2dmf h LEU 20 CO 0.16 0.00 -1.07 -0.33 0.09 0.00 0.00 178.44 177.29 2dmf h GLU 21 N 0.00 0.39 -0.08 1.13 5.08 -0.24 0.46 114.58 121.32 2dmf h GLU 21 Ca 0.10 -0.49 -0.12 0.00 -1.00 0.00 0.00 59.36 57.85 2dmf h GLU 21 Cb 0.42 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2dmf h GLU 21 CO -0.00 1.17 -0.49 1.03 -1.00 0.00 0.00 179.01 179.72 2dmf h SER 22 N 0.18 0.22 0.04 1.42 0.87 -1.06 0.22 113.55 115.45 2dmf h SER 22 Ca -0.11 -0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 60.02 2dmf h SER 22 Cb 1.74 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 63.59 2dmf h SER 22 CO 0.18 0.68 -1.78 -0.38 -0.53 0.00 0.00 176.83 175.00 2dmf n ILE 23 N -3.96 1.60 -1.84 2.23 5.41 -0.47 -4.44 119.36 117.89 2dmf n ILE 23 Ca -0.02 -0.31 -0.32 0.00 1.00 0.00 0.00 62.75 63.11 2dmf n ILE 23 Cb 0.53 -1.88 0.04 0.00 -0.71 0.00 0.00 39.64 37.62 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 -4.04 3.08 -0.29 1.39 4.01 0.16 -4.79 117.16 116.68 2dmf n TYR 24 Ca -0.37 -2.67 0.12 0.00 -0.16 0.00 0.00 57.90 54.81 2dmf n TYR 24 Cb 0.84 -0.86 0.27 0.00 -0.31 0.00 0.00 39.34 39.29 2dmf n TYR 24 CO 0.00 0.00 0.00 1.37 -0.46 0.00 0.00 176.86 177.77 2dmf h LEU 25 N 2.35 -0.01 0.00 7.72 -0.00 -0.65 -1.88 115.31 122.84 2dmf h LEU 25 Ca 0.48 0.19 -0.23 0.00 -0.00 0.00 0.00 57.88 58.32 2dmf h LEU 25 Cb 0.87 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.76 2dmf h LEU 25 CO 1.20 -0.14 -1.79 -0.67 -0.00 0.00 0.00 178.44 177.04 2dmf n ASP 26 N -5.22 1.47 -0.44 0.17 2.03 -1.26 -4.55 116.55 108.75 2dmf n ASP 26 Ca 0.20 0.12 0.41 0.00 0.52 0.00 0.00 54.79 56.03 2dmf n ASP 26 Cb 0.65 -0.37 0.71 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.39 0.00 -5.14 -0.67 5.08 -1.88 -3.38 114.58 108.19 2dmf h GLU 27 Ca -0.35 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.64 2dmf h GLU 27 Cb 1.35 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.39 2dmf h GLU 27 CO -0.18 0.00 -0.77 -1.17 -1.00 0.00 0.00 179.01 175.90 2dmf s LEU 28 N -7.59 2.28 0.01 1.33 0.20 -0.71 -3.68 118.68 110.52 2dmf s LEU 28 Ca -0.04 -0.61 0.08 0.00 0.69 0.00 0.00 54.13 54.25 2dmf s LEU 28 Cb 0.22 -0.42 -0.02 0.00 -0.43 0.00 0.00 46.19 45.53 2dmf s LEU 28 CO 0.74 -0.12 -0.25 -1.10 -0.29 0.00 0.00 176.35 175.33 2dmf s GLN 29 N -1.77 1.91 -0.03 1.98 -1.52 0.29 -4.61 119.66 115.90 2dmf s GLN 29 Ca -0.03 -0.97 0.05 0.00 -1.95 0.00 0.00 55.36 52.45 2dmf s GLN 29 Cb -0.10 -1.94 -0.01 0.00 -0.22 0.00 0.00 33.01 30.74 2dmf s GLN 29 CO 0.02 0.52 -0.18 0.08 -0.25 0.00 0.00 175.29 175.47 2dmf s VAL 30 N -0.68 1.50 -0.31 1.09 1.01 -1.26 0.12 120.40 121.87 2dmf s VAL 30 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2dmf s VAL 30 Cb -0.10 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.11 2dmf s VAL 30 CO 0.00 0.43 0.11 -0.63 0.00 0.00 0.00 175.10 175.01 2dmf s ILE 31 N -0.17 0.80 1.01 2.22 -1.09 0.27 -4.99 121.20 119.25 2dmf s ILE 31 Ca 0.01 -1.39 -0.14 0.00 -2.23 0.00 0.00 60.65 56.90 2dmf s ILE 31 Cb -0.10 -1.61 0.10 0.00 -1.58 0.00 0.00 42.46 39.27 2dmf s ILE 31 CO 0.01 -0.70 0.48 0.29 -1.23 0.00 0.00 174.94 173.79 2dmf n LYS 32 N 4.82 -0.89 -3.81 2.79 5.02 -1.26 -1.56 118.16 123.28 2dmf n LYS 32 Ca -0.02 -0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 55.79 2dmf n LYS 32 Cb 0.42 -1.93 0.01 0.00 -0.02 0.00 0.00 35.03 33.51 2dmf n LYS 32 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dmf s GLY 33 N -2.11 2.32 -0.06 0.72 0.00 -1.08 -4.76 107.32 102.35 2dmf s GLY 33 Ca 0.59 -1.27 -0.12 0.00 0.00 0.00 0.00 44.72 43.92 2dmf s GLY 33 CO 0.65 -1.93 0.29 -1.31 0.00 0.00 0.00 173.10 170.80 2dmf s ASN 34 N -4.36 -0.24 0.00 1.64 0.01 -1.26 -4.83 114.94 105.91 2dmf s ASN 34 Ca 0.36 0.33 0.00 0.00 -0.71 0.00 0.00 52.86 52.84 2dmf s ASN 34 Cb -0.03 0.47 0.00 0.00 0.41 0.00 0.00 41.25 42.10 2dmf s ASN 34 CO 0.23 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 176.16 2dmf n GLY 35 N 2.14 0.56 0.06 0.66 0.00 -1.26 -3.91 105.19 103.43 2dmf n GLY 35 Ca -0.17 -1.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 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 0.00 -0.11 1.61 -0.00 -1.96 -3.37 114.38 110.55 2dmf h ARG 36 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.98 59.39 2dmf h ARG 36 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 2dmf h ARG 36 CO 0.00 0.14 -0.35 0.00 0.00 0.00 0.00 179.97 179.75 2dmf h THR 37 N -1.00 1.28 -6.64 2.04 1.03 -1.92 -3.43 112.91 104.28 2dmf h THR 37 Ca -0.01 -1.36 -0.32 0.00 -0.01 0.00 0.00 66.41 64.72 2dmf h THR 37 Cb 0.21 1.59 -0.06 0.00 -1.07 0.00 0.00 68.15 68.82 2dmf h THR 37 CO -0.00 0.41 -0.51 -1.20 -0.01 0.00 0.00 175.52 174.20 2dmf n SER 38 N -4.08 -0.80 -4.77 0.00 7.64 -1.25 -3.84 113.62 106.52 2dmf n SER 38 Ca -0.01 -0.67 -0.39 0.00 1.01 0.00 0.00 58.87 58.81 2dmf n SER 38 Cb 0.43 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.80 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 -5.77 4.21 -0.33 1.43 0.04 -1.26 -4.14 135.00 129.18 2dmf s PRO 39 Ca 0.13 1.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 2dmf s PRO 39 Cb -0.07 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 2dmf s PRO 39 CO 0.51 -0.22 0.28 -1.58 0.04 0.00 0.00 177.00 176.03 2dmf s TRP 40 N -1.30 3.22 -0.40 0.56 0.52 0.28 -2.64 118.94 119.19 2dmf s TRP 40 Ca 0.53 -0.05 -0.16 0.00 0.02 0.00 0.00 56.10 56.44 2dmf s TRP 40 Cb -0.34 -2.53 0.01 0.00 -1.15 0.00 0.00 33.47 29.46 2dmf s TRP 40 CO 0.43 -0.34 0.38 -2.00 0.02 0.00 0.00 176.95 175.45 2dmf s GLU 41 N 1.85 3.16 -0.13 4.98 2.12 -0.60 0.22 118.70 130.30 2dmf s GLU 41 Ca 0.09 -0.76 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 2dmf s GLU 41 Cb -0.17 -3.94 -0.02 0.00 0.26 0.00 0.00 34.13 30.27 2dmf s GLU 41 CO 0.11 -0.76 -0.12 0.42 -0.54 0.00 0.00 175.26 174.37 2dmf s ILE 42 N 1.99 3.15 0.29 -3.70 1.01 0.67 -0.57 121.20 124.05 2dmf s ILE 42 Ca 0.10 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 60.22 2dmf s ILE 42 Cb -0.17 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 2dmf s ILE 42 CO 0.12 0.52 -0.01 -0.31 0.00 0.00 0.00 174.94 175.27 2dmf s TYR 43 N 0.31 2.61 -0.29 3.97 2.02 0.12 -0.20 117.35 125.89 2dmf s TYR 43 Ca -0.09 -0.30 -0.24 0.00 -0.37 0.00 0.00 57.07 56.06 2dmf s TYR 43 Cb -0.16 -1.28 0.14 0.00 -0.40 0.00 0.00 41.96 40.26 2dmf s TYR 43 CO 0.05 0.57 1.13 -1.50 -1.57 0.00 0.00 175.55 174.23 2dmf s ILE 44 N -2.41 0.00 -0.55 2.71 2.07 -0.94 -0.55 121.20 121.53 2dmf s ILE 44 Ca 0.33 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.49 2dmf s ILE 44 Cb -0.04 -1.00 0.14 0.00 0.13 0.00 0.00 42.46 41.69 2dmf s ILE 44 CO 0.19 0.00 0.40 -0.89 -1.91 0.00 0.00 174.94 172.74 2dmf s THR 45 N 0.26 4.14 0.61 4.00 2.01 -1.24 0.10 115.64 125.52 2dmf s THR 45 Ca 0.03 -2.20 -0.18 0.00 0.31 0.00 0.00 61.69 59.65 2dmf s THR 45 Cb -0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2dmf s THR 45 CO -0.09 -0.82 1.16 -0.76 -0.69 0.00 0.00 174.62 173.42 2dmf s LEU 46 N 0.83 3.60 -0.02 4.42 1.43 -1.26 -4.94 118.68 122.74 2dmf s LEU 46 Ca 0.10 2.24 -0.01 0.00 -1.03 0.00 0.00 54.13 55.44 2dmf s LEU 46 Cb -0.22 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.43 2dmf s LEU 46 CO -0.03 -1.56 0.04 -1.00 0.23 0.00 0.00 176.35 174.03 2dmf s HIS 47 N -1.84 -0.02 0.07 0.29 3.76 -1.26 -4.09 115.29 112.19 2dmf s HIS 47 Ca 0.74 0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.79 2dmf s HIS 47 Cb -0.26 -0.11 0.02 0.00 1.11 0.00 0.00 32.58 33.34 2dmf s HIS 47 CO 0.34 -0.07 0.06 -0.35 -0.85 0.00 0.00 174.74 173.88 2dmf n PRO 48 N 3.69 -1.15 -3.92 8.40 -0.04 -1.26 -4.89 135.00 135.83 2dmf n PRO 48 Ca -0.21 -0.10 -0.30 0.00 -0.04 0.00 0.00 63.50 62.86 2dmf n PRO 48 Cb 0.55 -0.09 -0.16 0.00 -0.04 0.00 0.00 33.50 33.76 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 -2.97 1.94 0.72 0.55 0.00 -1.26 -4.98 121.76 115.76 2dmf s ALA 49 Ca 0.04 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 2dmf s ALA 49 Cb -0.00 -1.48 0.02 0.00 0.00 0.00 0.00 23.12 21.66 2dmf s ALA 49 CO 0.03 -1.27 1.10 0.95 0.00 0.00 0.00 175.76 176.57 2dmf s THR 50 N 1.40 3.45 0.15 0.00 -4.23 -1.26 -5.03 115.64 110.13 2dmf s THR 50 Ca -0.03 0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2dmf s THR 50 Cb -0.19 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2dmf s THR 50 CO -0.08 -0.62 0.00 0.00 -0.54 0.00 0.00 174.62 173.38 2dmf n ALA 51 N -3.07 3.00 0.08 3.99 0.00 -1.26 -4.80 120.51 118.44 2dmf n ALA 51 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 2dmf n ALA 51 Cb 0.57 0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 2dmf n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dmf h GLU 52 N 0.00 0.33 -1.70 0.00 3.07 -2.08 -3.35 114.58 110.84 2dmf h GLU 52 Ca 0.00 -0.56 -0.74 0.00 -0.50 0.00 0.00 59.36 57.56 2dmf h GLU 52 Cb 0.00 0.21 -0.28 0.00 -0.84 0.00 0.00 28.75 27.84 2dmf h GLU 52 CO 0.00 1.21 0.97 -3.47 -1.40 0.00 0.00 179.01 176.32 2dmf n ASP 53 N -3.52 7.51 -4.57 1.42 2.03 -1.26 -4.91 116.55 113.24 2dmf n ASP 53 Ca -0.19 -3.82 -0.39 0.00 0.52 0.00 0.00 54.79 50.91 2dmf n ASP 53 Cb 1.06 -1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 40.41 2dmf n ASP 53 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2dmf s GLN 54 N -4.00 3.53 0.11 -0.67 -0.21 -1.26 -4.50 119.66 112.67 2dmf s GLN 54 Ca 0.56 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.47 2dmf s GLN 54 Cb 0.46 -5.40 0.00 0.00 1.00 0.00 0.00 33.01 29.07 2dmf s GLN 54 CO -0.30 -2.58 0.00 -3.47 -2.12 0.00 0.00 175.29 166.82 2dmf n ASP 55 N 9.87 0.80 -3.51 5.90 -0.08 -1.26 -5.07 116.55 123.20 2dmf n ASP 55 Ca 0.43 0.16 -0.14 0.00 -1.51 0.00 0.00 54.79 53.73 2dmf n ASP 55 Cb 0.48 -0.20 -0.04 0.00 2.34 0.00 0.00 41.12 43.69 2dmf n ASP 55 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2dmf s SER 56 N -5.71 -0.53 0.15 1.67 0.01 -1.26 -5.14 113.70 102.89 2dmf s SER 56 Ca 0.00 0.39 -0.32 0.00 1.31 0.00 0.00 55.95 57.32 2dmf s SER 56 Cb 0.00 0.48 -0.17 0.00 0.21 0.00 0.00 66.02 66.54 2dmf s SER 56 CO 0.00 -0.63 0.89 0.00 0.41 0.00 0.00 173.24 173.90 2dmf n GLN 57 N 0.41 0.46 0.04 12.44 0.00 -1.26 -4.90 117.38 124.57 2dmf n GLN 57 Ca -0.15 0.16 0.00 0.00 0.00 0.00 0.00 57.00 57.01 2dmf n GLN 57 Cb 0.60 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.37 2dmf n GLN 57 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2dmf n TYR 58 N 0.82 -0.06 -4.43 2.61 4.19 -1.26 -5.06 117.16 113.97 2dmf n TYR 58 Ca 0.17 0.01 -0.34 0.00 3.31 0.00 0.00 57.90 61.05 2dmf n TYR 58 Cb 0.21 0.02 -0.11 0.00 0.49 0.00 0.00 39.34 39.95 2dmf n TYR 58 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2dmf s VAL 59 N -2.00 4.02 -0.20 2.97 0.11 -1.26 -4.85 120.40 119.18 2dmf s VAL 59 Ca 0.00 -0.34 -0.28 0.00 -2.93 0.00 0.00 61.98 58.43 2dmf s VAL 59 Cb 0.00 -2.71 0.12 0.00 -1.53 0.00 0.00 36.38 32.26 2dmf s VAL 59 CO 0.00 0.55 0.98 0.00 -3.33 0.00 0.00 175.10 173.31 2dmf s PHE 61 N -0.62 1.34 -0.76 0.00 -0.71 -1.26 -3.06 117.98 112.91 2dmf s PHE 61 Ca -0.01 -0.82 -0.25 0.00 -1.04 0.00 0.00 56.93 54.81 2dmf s PHE 61 Cb -0.02 -1.15 -0.14 0.00 -1.21 0.00 0.00 43.02 40.50 2dmf s PHE 61 CO -0.01 -0.55 2.41 2.41 -1.34 0.00 0.00 175.22 178.15 2dmf n THR 62 N 4.97 -0.01 -1.74 -4.49 -1.04 -0.97 -3.99 114.28 107.01 2dmf n THR 62 Ca -0.10 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.05 60.95 2dmf n THR 62 Cb 0.48 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 2dmf n THR 62 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2dmf s LEU 63 N 13.80 3.44 -0.58 -4.42 0.20 0.28 -2.96 118.68 128.45 2dmf s LEU 63 Ca 0.96 1.53 -0.22 0.00 0.69 0.00 0.00 54.13 57.09 2dmf s LEU 63 Cb -0.18 -3.34 0.06 0.00 -0.43 0.00 0.00 46.19 42.30 2dmf s LEU 63 CO 0.13 -2.02 0.85 -0.69 -0.29 0.00 0.00 176.35 174.33 2dmf s VAL 64 N 8.41 4.52 -0.47 1.68 1.01 -0.36 -2.23 120.40 132.96 2dmf s VAL 64 Ca 0.92 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 62.54 2dmf s VAL 64 Cb -0.27 -4.53 0.08 0.00 0.00 0.00 0.00 36.38 31.66 2dmf s VAL 64 CO 0.33 -1.15 0.39 -0.76 0.00 0.00 0.00 175.10 173.91 2dmf s LEU 65 N 3.57 5.63 -0.63 3.92 1.43 0.72 -2.03 118.68 131.29 2dmf s LEU 65 Ca 0.23 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.78 2dmf s LEU 65 Cb -0.16 -2.17 0.13 0.00 0.03 0.00 0.00 46.19 44.01 2dmf s LEU 65 CO 0.13 -0.65 0.68 -1.58 0.23 0.00 0.00 176.35 175.17 2dmf s GLN 66 N 1.62 3.13 -0.37 1.70 0.74 -1.04 -0.24 119.66 125.20 2dmf s GLN 66 Ca 0.04 -1.59 -0.25 0.00 0.05 0.00 0.00 55.36 53.61 2dmf s GLN 66 Cb -0.25 -4.34 0.01 0.00 1.10 0.00 0.00 33.01 29.54 2dmf s GLN 66 CO 0.06 -1.47 0.89 0.08 -0.55 0.00 0.00 175.29 174.30 2dmf s VAL 67 N 2.10 4.62 0.00 1.34 1.01 0.13 -1.18 120.40 128.42 2dmf s VAL 67 Ca 0.11 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.19 2dmf s VAL 67 Cb -0.23 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2dmf s VAL 67 CO 0.03 -0.52 0.00 -0.81 0.00 0.00 0.00 175.10 173.80 2dmf n PRO 68 N 6.69 0.20 -0.03 2.72 -0.04 -1.26 1.00 135.00 144.27 2dmf n PRO 68 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2dmf n PRO 68 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 2dmf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf n ALA 69 N -3.00 1.50 -0.03 0.55 0.00 -1.25 -4.14 120.51 114.14 2dmf n ALA 69 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 53.44 52.54 2dmf n ALA 69 Cb 0.00 -0.75 0.15 0.00 0.00 0.00 0.00 19.45 18.85 2dmf n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2dmf h GLU 70 N 0.00 0.61 -4.36 0.00 5.08 -1.90 -3.46 114.58 110.56 2dmf h GLU 70 Ca -0.32 -0.24 -0.47 0.00 -1.00 0.00 0.00 59.36 57.32 2dmf h GLU 70 Cb 2.05 -0.03 0.09 0.00 0.50 0.00 0.00 28.75 31.36 2dmf h GLU 70 CO 0.07 0.80 -0.51 0.98 -1.00 0.00 0.00 179.01 179.35 2dmf n TYR 71 N -4.12 -0.82 0.20 4.33 4.19 -1.24 -1.93 117.16 117.77 2dmf n TYR 71 Ca -0.00 0.61 0.06 0.00 3.31 0.00 0.00 57.90 61.87 2dmf n TYR 71 Cb 0.42 -1.37 0.41 0.00 0.49 0.00 0.00 39.34 39.28 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 0.53 0.00 -0.52 2.98 0.13 -1.88 -3.44 132.00 129.80 2dmf h PRO 72 Ca -0.23 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.11 2dmf h PRO 72 Cb 1.05 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.08 2dmf h PRO 72 CO 0.39 0.34 0.23 0.72 -0.23 0.00 0.00 178.00 179.44 2dmf n HIS 73 N -3.69 0.56 -4.63 1.56 8.25 -0.81 -3.90 115.22 112.56 2dmf n HIS 73 Ca -0.01 0.62 -0.34 0.00 -0.26 0.00 0.00 57.72 57.73 2dmf n HIS 73 Cb 0.44 -1.03 -0.12 0.00 1.12 0.00 0.00 29.99 30.40 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 -4.90 2.95 0.27 -0.41 2.56 -1.24 -4.75 118.70 113.18 2dmf s GLU 74 Ca -0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 54.97 54.06 2dmf s GLU 74 Cb 0.17 -2.63 -0.09 0.00 2.00 0.00 0.00 34.13 33.58 2dmf s GLU 74 CO 0.41 0.54 1.04 0.14 -0.56 0.00 0.00 175.26 176.83 2dmf s VAL 75 N -0.48 3.70 0.16 3.70 -7.23 -1.25 -3.66 120.40 115.33 2dmf s VAL 75 Ca 0.07 1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 61.63 2dmf s VAL 75 Cb -0.12 -4.07 -0.08 0.00 0.56 0.00 0.00 36.38 32.67 2dmf s VAL 75 CO 0.02 0.39 1.33 -2.16 -0.31 0.00 0.00 175.10 174.38 2dmf s PRO 76 N -1.39 4.37 -0.49 4.82 0.04 -1.26 -4.78 135.00 136.30 2dmf s PRO 76 Ca 0.44 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.25 2dmf s PRO 76 Cb -0.29 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 2dmf s PRO 76 CO 0.37 -0.32 2.06 -0.65 0.04 0.00 0.00 177.00 178.50 2dmf s GLN 77 N 0.44 2.61 0.09 4.56 -0.21 -0.32 -4.69 119.66 122.14 2dmf s GLN 77 Ca 0.60 1.13 -0.25 0.00 0.02 0.00 0.00 55.36 56.85 2dmf s GLN 77 Cb -0.36 -4.42 -0.06 0.00 1.00 0.00 0.00 33.01 29.17 2dmf s GLN 77 CO 0.34 -2.71 0.78 0.42 -2.12 0.00 0.00 175.29 172.01 2dmf s ILE 78 N 9.68 4.59 -0.03 1.08 1.01 -1.26 -2.49 121.20 133.78 2dmf s ILE 78 Ca 0.82 1.69 -0.13 0.00 0.00 0.00 0.00 60.65 63.03 2dmf s ILE 78 Cb -0.17 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.18 2dmf s ILE 78 CO 0.26 0.42 0.29 -0.44 0.00 0.00 0.00 174.94 175.46 2dmf s SER 79 N -0.43 -0.19 -0.12 3.58 0.01 -0.86 -5.01 113.70 110.69 2dmf s SER 79 Ca 0.38 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.63 2dmf s SER 79 Cb -0.22 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.31 2dmf s SER 79 CO 0.25 -0.39 0.33 -0.63 0.41 0.00 0.00 173.24 173.21 2dmf s ILE 80 N -1.12 5.25 0.08 1.44 -1.09 -1.26 -1.22 121.20 123.27 2dmf s ILE 80 Ca -0.12 0.64 0.06 0.00 -2.23 0.00 0.00 60.65 59.00 2dmf s ILE 80 Cb -0.05 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 2dmf s ILE 80 CO 0.03 0.44 -0.17 -0.60 -1.23 0.00 0.00 174.94 173.42 2dmf s ARG 81 N 0.03 0.97 -1.39 2.79 6.06 -1.15 -4.82 118.95 121.42 2dmf s ARG 81 Ca 0.19 -1.01 -0.13 0.00 -2.50 0.00 0.00 55.73 52.28 2dmf s ARG 81 Cb -0.14 -1.07 0.02 0.00 0.06 0.00 0.00 34.95 33.81 2dmf s ARG 81 CO 0.07 0.25 0.33 0.09 -2.50 0.00 0.00 175.30 173.54 2dmf n ASN 82 N 1.29 -1.30 -4.58 -2.12 3.02 -1.26 -2.28 115.26 108.03 2dmf n ASN 82 Ca -0.20 -1.24 -0.41 0.00 -0.03 0.00 0.00 54.58 52.70 2dmf n ASN 82 Cb 0.54 -1.90 -0.03 0.00 -0.61 0.00 0.00 39.78 37.79 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 -7.23 3.07 -0.22 3.52 0.04 -1.26 -4.47 135.00 128.44 2dmf s PRO 83 Ca 0.20 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 2dmf s PRO 83 Cb -0.10 -4.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 2dmf s PRO 83 CO 0.97 -2.19 0.14 0.50 0.04 0.00 0.00 177.00 176.46 2dmf s ARG 84 N 6.15 4.09 0.00 4.56 3.00 -1.17 -4.50 118.95 131.08 2dmf s ARG 84 Ca 0.72 -0.26 0.00 0.00 -1.00 0.00 0.00 55.73 55.18 2dmf s ARG 84 Cb -0.17 -3.47 0.00 0.00 0.00 0.00 0.00 34.95 31.31 2dmf s ARG 84 CO 0.28 0.15 0.00 0.41 0.00 0.00 0.00 175.30 176.14 2dmf n GLY 85 N 3.99 1.51 3.61 8.12 0.00 -1.26 -3.76 105.19 117.39 2dmf n GLY 85 Ca -0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 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 2.12 0.11 0.99 1.43 -1.26 -4.72 118.68 117.36 2dmf s LEU 86 Ca 0.00 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.06 2dmf s LEU 86 Cb 0.00 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2dmf s LEU 86 CO 0.00 -3.52 0.03 -0.94 0.23 0.00 0.00 176.35 172.15 2dmf s SER 87 N -2.60 0.43 0.35 2.29 1.04 -1.26 -4.93 113.70 109.01 2dmf s SER 87 Ca 0.67 -1.15 0.16 0.00 0.48 0.00 0.00 55.95 56.11 2dmf s SER 87 Cb -0.24 0.26 1.18 0.00 0.10 0.00 0.00 66.02 67.32 2dmf s SER 87 CO 0.60 -0.68 1.55 -0.90 0.98 0.00 0.00 173.24 174.79 2dmf n ASP 88 N -0.05 0.23 0.23 7.02 5.75 -1.26 -0.10 116.55 128.36 2dmf n ASP 88 Ca -0.08 1.64 -0.09 0.00 -0.01 0.00 0.00 54.79 56.25 2dmf n ASP 88 Cb 0.63 -0.75 -0.04 0.00 -1.03 0.00 0.00 41.12 39.93 2dmf n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2dmf h GLU 89 N 0.00 -0.56 0.11 0.11 4.81 -2.00 -1.36 114.58 115.69 2dmf h GLU 89 Ca 0.77 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 60.06 2dmf h GLU 89 Cb 1.96 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 31.43 2dmf h GLU 89 CO -0.80 -0.37 -0.41 1.96 -0.73 0.00 0.00 179.01 178.66 2dmf h GLN 90 N -0.65 -0.61 -0.73 1.92 4.20 -1.46 -2.26 115.11 115.52 2dmf h GLN 90 Ca -0.06 0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.85 2dmf h GLN 90 Cb 0.45 0.14 -0.13 0.00 0.30 0.00 0.00 27.48 28.23 2dmf h GLN 90 CO 0.10 -0.41 -0.10 0.82 -0.67 0.00 0.00 178.83 178.58 2dmf h ILE 91 N -0.63 0.31 -0.77 2.54 2.04 -0.59 -0.49 117.51 119.92 2dmf h ILE 91 Ca 0.03 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 66.00 2dmf h ILE 91 Cb 0.67 0.27 -0.14 0.00 -0.74 0.00 0.00 36.82 36.88 2dmf h ILE 91 CO -0.25 0.01 -0.35 -0.74 0.00 0.00 0.00 178.15 176.83 2dmf h HIS 92 N 0.04 -0.95 0.04 1.37 2.76 -0.63 -0.01 115.15 117.77 2dmf h HIS 92 Ca 0.37 0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.64 2dmf h HIS 92 Cb 0.61 0.53 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 2dmf h HIS 92 CO -0.50 -0.39 -0.07 1.15 -1.30 0.00 0.00 177.93 176.82 2dmf h THR 93 N -0.08 0.82 -0.26 6.26 2.02 -1.01 -1.99 112.91 118.67 2dmf h THR 93 Ca 0.29 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 2dmf h THR 93 Cb 0.57 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 2dmf h THR 93 CO -0.82 0.00 -0.40 0.40 0.37 0.00 0.00 175.52 175.07 2dmf h ILE 94 N -0.15 0.00 0.04 3.11 2.04 -0.57 -1.89 117.51 120.09 2dmf h ILE 94 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 2dmf h ILE 94 Cb 0.16 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.20 2dmf h ILE 94 CO -0.05 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.57 2dmf h LEU 95 N -0.31 -1.41 -0.55 1.44 3.38 -1.19 -1.68 115.31 114.99 2dmf h LEU 95 Ca 0.05 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.22 2dmf h LEU 95 Cb 0.44 0.53 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2dmf h LEU 95 CO -0.41 -0.46 -0.32 0.00 0.09 0.00 0.00 178.44 177.34 2dmf n GLN 96 N -5.04 -0.24 0.06 1.13 1.13 -0.75 -0.35 117.38 113.32 2dmf n GLN 96 Ca -0.07 1.04 -0.06 0.00 -1.94 0.00 0.00 57.00 55.97 2dmf n GLN 96 Cb 0.35 -1.53 -0.04 0.00 0.11 0.00 0.00 30.24 29.13 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2dmf h VAL 97 N 0.00 0.00 -1.68 5.09 2.07 -1.06 -0.70 116.25 119.97 2dmf h VAL 97 Ca 0.09 0.00 0.49 0.00 0.82 0.00 0.00 66.70 68.09 2dmf h VAL 97 Cb 0.22 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2dmf h VAL 97 CO -0.52 0.00 1.29 -0.07 0.02 0.00 0.00 177.57 178.30 2dmf h LEU 98 N -0.31 0.00 -0.02 2.57 3.38 -0.29 0.65 115.31 121.29 2dmf h LEU 98 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2dmf h LEU 98 Cb 0.29 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2dmf h LEU 98 CO -0.08 0.00 -0.30 1.23 0.09 0.00 0.00 178.44 179.38 2dmf h GLY 99 N 0.00 0.26 0.87 0.83 0.00 0.77 -3.06 103.07 102.74 2dmf h GLY 99 Ca 0.80 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 2dmf h GLY 99 CO -0.01 0.37 0.05 0.45 0.00 0.00 0.00 176.54 177.40 2dmf h HIS 100 N -0.37 0.44 -0.60 5.60 3.86 0.11 -2.68 115.15 121.52 2dmf h HIS 100 Ca -0.03 -0.06 0.14 0.00 -1.16 0.00 0.00 60.37 59.26 2dmf h HIS 100 Cb 1.01 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.33 2dmf h HIS 100 CO 0.16 0.52 0.41 0.28 0.86 0.00 0.00 177.93 180.16 2dmf h VAL 101 N 0.22 0.79 0.46 2.45 2.07 -1.27 0.74 116.25 121.71 2dmf h VAL 101 Ca 0.08 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2dmf h VAL 101 Cb 0.32 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2dmf h VAL 101 CO 0.00 0.04 -0.22 0.00 0.02 0.00 0.00 177.57 177.41 2dmf h ALA 102 N 1.71 -0.62 -0.78 1.67 0.00 -1.37 -2.06 119.26 117.80 2dmf h ALA 102 Ca 0.29 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2dmf h ALA 102 Cb 0.84 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2dmf h ALA 102 CO -0.05 -0.63 0.52 0.87 0.00 0.00 0.00 179.25 179.96 2dmf h LYS 103 N -1.06 0.92 0.00 0.00 1.57 -1.21 -0.64 116.57 116.16 2dmf h LYS 103 Ca -0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2dmf h LYS 103 Cb 0.56 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2dmf h LYS 103 CO 0.10 0.61 -0.24 0.00 -0.57 0.00 0.00 179.45 179.36 2dmf h ALA 104 N 1.55 1.28 -0.98 3.86 0.00 -0.89 -2.99 119.26 121.08 2dmf h ALA 104 Ca 0.31 -0.22 -0.64 0.00 0.00 0.00 0.00 54.91 54.36 2dmf h ALA 104 Cb 0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 17.79 17.47 2dmf h ALA 104 CO -0.09 0.30 0.20 0.41 0.00 0.00 0.00 179.25 180.07 2dmf n GLY 105 N -0.45 6.00 3.83 0.00 0.00 -0.26 -5.03 105.19 109.28 2dmf n GLY 105 Ca -0.01 -2.50 -0.32 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.77 3.29 0.00 0.99 1.43 -1.13 -3.41 118.68 116.08 2dmf s LEU 106 Ca 0.57 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2dmf s LEU 106 Cb 0.46 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2dmf s LEU 106 CO -0.08 -1.18 0.00 0.61 0.23 0.00 0.00 176.35 175.93 2dmf n GLY 107 N -1.83 0.09 2.36 -3.19 0.00 -1.25 -4.90 105.19 96.46 2dmf n GLY 107 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.14 0.00 -2.66 2.61 -2.24 -1.22 -4.95 114.28 103.67 2dmf n THR 108 Ca 0.00 -1.65 -0.43 0.00 -2.27 0.00 0.00 64.05 59.70 2dmf n THR 108 Cb 0.38 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.85 3.07 -0.16 6.98 0.00 -1.26 -4.74 121.76 122.80 2dmf s ALA 109 Ca 0.27 -0.88 0.10 0.00 0.00 0.00 0.00 51.96 51.46 2dmf s ALA 109 Cb 0.01 -3.92 -0.17 0.00 0.00 0.00 0.00 23.12 19.04 2dmf s ALA 109 CO 0.19 -2.50 -0.01 0.00 0.00 0.00 0.00 175.76 173.45 2dmf n MET 110 N 8.04 1.26 0.00 0.00 3.85 -1.26 -4.62 117.12 124.39 2dmf n MET 110 Ca 0.07 0.02 0.00 0.00 -1.00 0.00 0.00 57.70 56.79 2dmf n MET 110 Cb 0.49 -1.39 0.00 0.00 -1.05 0.00 0.00 33.22 31.27 2dmf n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2dmf n LEU 111 N -2.69 0.00 -0.30 3.17 4.77 -1.26 0.47 117.00 121.16 2dmf n LEU 111 Ca -0.27 0.71 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 2dmf n LEU 111 Cb 0.96 -0.35 0.17 0.00 -2.33 0.00 0.00 43.42 41.88 2dmf n LEU 111 CO 0.29 -0.35 0.76 0.22 -1.33 0.00 0.00 177.39 176.98 2dmf h TYR 112 N 0.00 -0.23 0.33 -1.77 3.20 -1.97 -1.62 116.97 114.90 2dmf h TYR 112 Ca 0.00 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2dmf h TYR 112 Cb 0.00 0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.51 2dmf h TYR 112 CO -0.65 -0.35 -0.16 0.93 -1.64 0.00 0.00 178.16 176.29 2dmf h GLU 113 N 0.03 -0.42 -0.97 1.82 5.08 -0.23 -1.99 114.58 117.89 2dmf h GLU 113 Ca 0.47 0.03 0.36 0.00 -1.00 0.00 0.00 59.36 59.22 2dmf h GLU 113 Cb 0.82 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.04 2dmf h GLU 113 CO -0.84 -0.28 0.59 1.28 -1.00 0.00 0.00 179.01 178.75 2dmf n LEU 114 N -3.18 0.22 0.20 1.33 4.77 0.14 0.52 117.00 121.00 2dmf n LEU 114 Ca -0.05 1.22 -0.12 0.00 -0.03 0.00 0.00 56.01 57.03 2dmf n LEU 114 Cb 0.17 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2dmf n LEU 114 CO 0.13 -1.35 0.39 0.40 -1.33 0.00 0.00 177.39 175.64 2dmf h ILE 115 N 0.00 0.36 -0.44 -0.08 2.04 -1.05 -2.88 117.51 115.46 2dmf h ILE 115 Ca 0.70 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 66.05 2dmf h ILE 115 Cb 2.07 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 38.61 2dmf h ILE 115 CO -0.49 0.07 -0.12 -0.33 0.00 0.00 0.00 178.15 177.28 2dmf h GLU 116 N -1.01 -0.01 -0.04 2.37 4.39 0.83 -2.78 114.58 118.33 2dmf h GLU 116 Ca -0.06 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2dmf h GLU 116 Cb 0.55 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2dmf h GLU 116 CO 0.09 -0.01 -0.23 -0.22 -1.16 0.00 0.00 179.01 177.48 2dmf h LYS 117 N -0.01 -0.25 -0.75 2.33 1.63 -1.16 -2.09 116.57 116.27 2dmf h LYS 117 Ca 0.21 0.02 0.14 0.00 -0.85 0.00 0.00 60.65 60.17 2dmf h LYS 117 Cb 0.33 0.06 -0.14 0.00 -0.60 0.00 0.00 32.23 31.88 2dmf h LYS 117 CO -0.46 -0.17 -0.20 0.41 -3.45 0.00 0.00 179.45 175.58 2dmf n GLY 118 N -1.19 -1.30 0.15 5.01 0.00 -1.06 -0.82 105.19 105.99 2dmf n GLY 118 Ca -0.03 0.80 -0.05 0.00 0.00 0.00 0.00 46.02 46.75 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 -0.22 -0.90 1.61 1.57 -1.24 0.61 116.57 118.00 2dmf h LYS 119 Ca 0.34 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.39 2dmf h LYS 119 Cb 0.53 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 32.74 2dmf h LYS 119 CO -0.77 -0.15 0.20 0.93 -0.57 0.00 0.00 179.45 179.10 2dmf h GLU 120 N -0.23 0.15 -0.68 3.15 5.08 -0.77 0.44 114.58 121.72 2dmf h GLU 120 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dmf h GLU 120 Cb 0.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2dmf h GLU 120 CO -0.10 0.10 0.44 0.82 -1.00 0.00 0.00 179.01 179.27 2dmf h ILE 121 N 0.15 1.16 0.00 3.13 2.04 -0.57 -2.70 117.51 120.72 2dmf h ILE 121 Ca 0.57 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2dmf h ILE 121 Cb 1.18 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2dmf h ILE 121 CO -0.71 0.17 0.00 -0.11 0.00 0.00 0.00 178.15 177.49 2dmf n LEU 122 N -4.62 0.01 -0.62 1.44 0.00 0.15 -0.81 117.00 112.54 2dmf n LEU 122 Ca 0.06 0.95 0.47 0.00 0.00 0.00 0.00 56.01 57.49 2dmf n LEU 122 Cb 0.03 -0.48 0.73 0.00 0.00 0.00 0.00 43.42 43.69 2dmf n LEU 122 CO 0.35 -0.48 1.31 1.07 0.00 0.00 0.00 177.39 179.64 2dmf n THR 123 N -1.95 -0.02 0.09 1.96 5.66 -0.70 0.22 114.28 119.55 2dmf n THR 123 Ca 0.00 1.36 -0.22 0.00 -3.05 0.00 0.00 64.05 62.14 2dmf n THR 123 Cb 0.00 -2.27 -0.15 0.00 -1.55 0.00 0.00 70.33 66.36 2dmf n THR 123 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2dmf h ASP 124 N 0.00 0.63 -0.68 1.09 5.19 -1.22 -3.35 116.42 118.08 2dmf h ASP 124 Ca 0.84 -0.94 -0.45 0.00 -0.62 0.00 0.00 57.03 55.87 2dmf h ASP 124 Cb 3.32 -0.20 -0.27 0.00 0.18 0.00 0.00 39.33 42.35 2dmf h ASP 124 CO -0.05 1.55 -0.07 -0.46 -3.12 0.00 0.00 179.24 177.09 2dmf n ASN 125 N -3.94 4.67 -0.07 6.45 0.23 0.61 -4.67 115.26 118.54 2dmf n ASN 125 Ca -0.16 -3.77 -0.12 0.00 -0.53 0.00 0.00 54.58 49.99 2dmf n ASN 125 Cb 0.95 -0.63 -0.10 0.00 -2.08 0.00 0.00 39.78 37.92 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2dmf h ASN 126 N 1.66 0.00 -1.04 0.53 -1.07 0.14 -3.47 115.58 112.33 2dmf h ASN 126 Ca 0.39 -0.65 -0.79 0.00 0.07 0.00 0.00 56.30 55.32 2dmf h ASN 126 Cb 1.46 0.00 0.05 0.00 -2.07 0.00 0.00 38.32 37.76 2dmf h ASN 126 CO 0.85 0.99 0.15 -0.38 0.07 0.00 0.00 177.43 179.10 2dmf n ILE 127 N -4.61 0.00 -2.07 6.14 2.08 -1.26 -4.79 119.36 114.86 2dmf n ILE 127 Ca -0.12 -0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.77 2dmf n ILE 127 Cb 0.42 -0.10 -0.03 0.00 -0.75 0.00 0.00 39.64 39.18 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 0.33 3.18 -0.26 0.38 0.04 -1.26 -4.84 135.00 132.56 2dmf s PRO 128 Ca 0.92 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.93 2dmf s PRO 128 Cb -1.27 -4.22 -0.11 0.00 0.04 0.00 0.00 34.50 28.93 2dmf s PRO 128 CO 0.59 -2.05 -0.34 1.58 0.04 0.00 0.00 177.00 176.81 2dmf n HIS 129 N 10.71 0.03 -0.78 0.56 -0.00 -1.26 -5.03 115.22 119.45 2dmf n HIS 129 Ca 0.21 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.40 2dmf n HIS 129 Cb 0.48 -0.94 0.00 0.00 -0.12 0.00 0.00 29.99 29.42 2dmf n HIS 129 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2dmf n GLY 130 N 1.28 0.80 3.89 1.57 0.00 -1.26 -5.08 105.19 106.39 2dmf n GLY 130 Ca -0.49 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 2dmf n GLY 130 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmf s GLN 131 N 1.57 3.71 -0.30 1.61 0.74 -1.26 -5.09 119.66 120.64 2dmf s GLN 131 Ca 0.00 0.23 -0.09 0.00 0.05 0.00 0.00 55.36 55.54 2dmf s GLN 131 Cb 0.00 -2.54 0.14 0.00 1.10 0.00 0.00 33.01 31.72 2dmf s GLN 131 CO 0.00 0.12 0.68 -1.54 -0.55 0.00 0.00 175.29 174.00 2dmf s SER 132 N -3.09 -1.12 0.00 6.67 1.04 -1.26 -4.82 113.70 111.12 2dmf s SER 132 Ca 0.47 1.36 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2dmf s SER 132 Cb -0.11 2.20 0.00 0.00 0.10 0.00 0.00 66.02 68.22 2dmf s SER 132 CO 0.30 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.91 2dmf n GLY 133 N 5.40 1.29 3.61 7.32 0.00 -1.26 -4.94 105.19 116.61 2dmf n GLY 133 Ca -0.10 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 3.56 -0.29 1.61 0.04 -1.26 -4.95 135.00 133.72 2dmf s PRO 134 Ca 0.00 1.45 -0.20 0.00 0.04 0.00 0.00 61.00 62.28 2dmf s PRO 134 Cb 0.00 -4.10 0.14 0.00 0.04 0.00 0.00 34.50 30.57 2dmf s PRO 134 CO 0.00 -1.58 1.02 0.45 0.04 0.00 0.00 177.00 176.93 2dmf s SER 135 N 4.99 -0.46 -0.07 6.66 0.15 -1.26 -5.14 113.70 118.56 2dmf s SER 135 Ca 0.74 0.81 0.03 0.00 0.70 0.00 0.00 55.95 58.23 2dmf s SER 135 Cb -0.22 1.01 -0.02 0.00 -1.71 0.00 0.00 66.02 65.08 2dmf s SER 135 CO 0.32 -0.13 -0.18 -0.55 1.20 0.00 0.00 173.24 173.90 2dmf s SER 136 N 0.78 3.67 0.00 5.45 0.15 -1.26 -5.22 113.70 117.27 2dmf s SER 136 Ca -0.03 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2dmf s SER 136 Cb -0.04 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 2dmf s SER 136 CO -0.11 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.20