#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 2.83 -0.57 1.61 0.15 -1.26 -5.07 113.70 111.39 2dmf s SER 2 Ca 0.00 -0.71 0.04 0.00 0.70 0.00 0.00 55.95 55.98 2dmf s SER 2 Cb 0.00 -0.78 0.15 0.00 -1.71 0.00 0.00 66.02 63.68 2dmf s SER 2 CO 0.00 -0.23 0.36 -0.55 1.20 0.00 0.00 173.24 174.01 2dmf s SER 3 N 1.72 4.15 -0.98 5.45 0.15 -1.26 -4.17 113.70 118.77 2dmf s SER 3 Ca -0.00 -3.29 -0.28 0.00 0.70 0.00 0.00 55.95 53.08 2dmf s SER 3 Cb -0.16 -1.42 0.04 0.00 -1.71 0.00 0.00 66.02 62.77 2dmf s SER 3 CO -0.07 -0.17 0.55 0.61 1.20 0.00 0.00 173.24 175.35 2dmf n GLY 4 N 2.71 -0.69 0.06 9.45 0.00 -1.26 -4.87 105.19 110.58 2dmf n GLY 4 Ca 0.14 0.28 -0.05 0.00 0.00 0.00 0.00 46.02 46.38 2dmf n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dmf h SER 5 N -1.55 0.00 -0.15 1.61 4.64 -1.99 -3.38 113.55 112.74 2dmf h SER 5 Ca -0.58 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 60.55 2dmf h SER 5 Cb 1.15 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.17 2dmf h SER 5 CO 0.42 0.72 -0.29 0.28 -0.87 0.00 0.00 176.83 177.09 2dmf h SER 6 N -1.00 -0.90 -4.32 4.97 0.02 -2.02 -3.48 113.55 106.81 2dmf h SER 6 Ca -0.02 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2dmf h SER 6 Cb 0.39 0.39 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2dmf h SER 6 CO -0.02 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 175.96 2dmf n GLY 7 N -1.39 -1.17 3.54 -3.77 0.00 -1.26 -5.08 105.19 96.05 2dmf n GLY 7 Ca -0.03 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.88 1.80 -0.20 1.61 2.02 -1.26 -5.09 118.70 113.71 2dmf s GLU 8 Ca 0.00 -1.99 -0.16 0.00 0.02 0.00 0.00 54.97 52.84 2dmf s GLU 8 Cb 0.00 -1.38 -0.08 0.00 0.10 0.00 0.00 34.13 32.77 2dmf s GLU 8 CO 0.00 -0.05 -0.29 -1.91 0.02 0.00 0.00 175.26 173.03 2dmf n GLU 9 N -0.82 0.53 -4.21 1.61 4.07 -1.26 -5.02 120.64 115.54 2dmf n GLU 9 Ca -0.04 0.29 -0.24 0.00 -0.06 0.00 0.00 57.16 57.11 2dmf n GLU 9 Cb 0.66 -1.50 -0.07 0.00 -0.06 0.00 0.00 31.44 30.47 2dmf n GLU 9 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2dmf s ASP 10 N -6.27 4.91 -0.30 4.31 2.15 -1.26 -5.12 116.67 115.09 2dmf s ASP 10 Ca -0.29 -0.44 -0.14 0.00 0.43 0.00 0.00 52.55 52.11 2dmf s ASP 10 Cb 0.06 -1.07 0.17 0.00 -0.30 0.00 0.00 42.92 41.78 2dmf s ASP 10 CO 0.42 0.02 0.95 0.86 -0.17 0.00 0.00 175.17 177.25 2dmf s TRP 11 N -2.07 -0.76 -0.09 -5.34 -0.00 -1.26 -5.03 118.94 104.39 2dmf s TRP 11 Ca 0.31 1.21 0.14 0.00 -0.00 0.00 0.00 56.10 57.76 2dmf s TRP 11 Cb -0.08 0.42 -0.06 0.00 -0.00 0.00 0.00 33.47 33.75 2dmf s TRP 11 CO 0.21 -0.39 1.21 -0.39 -0.00 0.00 0.00 176.95 177.59 2dmf h VAL 12 N 5.54 0.93 -0.77 5.86 -1.51 -1.95 -3.34 116.25 121.02 2dmf h VAL 12 Ca -0.16 -2.42 0.16 0.00 -1.23 0.00 0.00 66.70 63.05 2dmf h VAL 12 Cb 1.12 2.40 -0.14 0.00 -2.13 0.00 0.00 31.29 32.54 2dmf h VAL 12 CO 0.07 0.53 -0.17 0.25 -1.23 0.00 0.00 177.57 177.02 2dmf h LEU 13 N 0.00 -0.68 0.01 4.19 6.46 -1.96 -1.68 115.31 121.66 2dmf h LEU 13 Ca -0.06 0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2dmf h LEU 13 Cb 1.54 0.46 0.00 0.00 -0.73 0.00 0.00 40.66 41.94 2dmf h LEU 13 CO 0.07 -0.25 -0.01 1.55 -0.62 0.00 0.00 178.44 179.19 2dmf h PRO 14 N 0.01 -0.01 -0.93 5.25 0.13 -2.00 -3.07 132.00 131.37 2dmf h PRO 14 Ca 0.37 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.75 2dmf h PRO 14 Cb 0.58 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.55 2dmf h PRO 14 CO -0.78 0.47 0.06 0.77 -0.23 0.00 0.00 178.00 178.29 2dmf h SER 15 N -0.50 -0.37 0.12 1.44 0.02 -1.45 0.16 113.55 112.98 2dmf h SER 15 Ca -0.00 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 2dmf h SER 15 Cb 0.49 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2dmf h SER 15 CO 0.00 -0.29 -0.06 -0.08 -1.14 0.00 0.00 176.83 175.26 2dmf h GLU 16 N 0.06 -0.16 -1.02 3.45 4.57 -1.39 -2.90 114.58 117.19 2dmf h GLU 16 Ca 0.56 0.01 0.31 0.00 -1.18 0.00 0.00 59.36 59.06 2dmf h GLU 16 Cb 1.13 0.04 -0.14 0.00 -0.16 0.00 0.00 28.75 29.61 2dmf h GLU 16 CO -0.83 0.05 0.59 0.28 -1.18 0.00 0.00 179.01 177.92 2dmf h VAL 17 N -0.36 0.34 -0.36 0.32 2.07 -0.61 0.12 116.25 117.78 2dmf h VAL 17 Ca -0.02 -0.13 0.08 0.00 0.82 0.00 0.00 66.70 67.46 2dmf h VAL 17 Cb 0.29 -0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 2dmf h VAL 17 CO 0.03 0.07 -0.21 -0.33 0.02 0.00 0.00 177.57 177.15 2dmf h GLU 18 N 0.37 -0.15 0.00 1.57 4.39 -1.13 0.49 114.58 120.12 2dmf h GLU 18 Ca 0.72 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 60.30 2dmf h GLU 18 Cb 1.62 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.29 2dmf h GLU 18 CO -0.56 -0.10 -0.59 -0.24 -1.16 0.00 0.00 179.01 176.35 2dmf h VAL 19 N -0.15 1.32 -0.03 3.13 3.04 -0.93 -3.01 116.25 119.62 2dmf h VAL 19 Ca 0.18 -2.11 -0.12 0.00 -1.01 0.00 0.00 66.70 63.64 2dmf h VAL 19 Cb 0.43 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 2dmf h VAL 19 CO -0.45 0.58 -0.52 -0.07 -1.01 0.00 0.00 177.57 176.10 2dmf h LEU 20 N 0.00 0.08 -0.29 3.16 3.38 0.41 -2.54 115.31 119.51 2dmf h LEU 20 Ca -0.01 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 2dmf h LEU 20 Cb 1.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2dmf h LEU 20 CO 0.08 0.59 -0.79 -0.33 0.09 0.00 0.00 178.44 178.07 2dmf h GLU 21 N 0.06 0.50 -0.37 1.13 5.08 0.02 0.59 114.58 121.59 2dmf h GLU 21 Ca -0.00 -0.44 -0.13 0.00 -1.00 0.00 0.00 59.36 57.79 2dmf h GLU 21 Cb 0.94 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 2dmf h GLU 21 CO 0.07 1.07 -0.29 0.77 -1.00 0.00 0.00 179.01 179.63 2dmf h SER 22 N 0.33 0.84 0.01 1.42 0.02 -1.41 0.28 113.55 115.02 2dmf h SER 22 Ca -0.05 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.40 2dmf h SER 22 Cb 1.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2dmf h SER 22 CO 0.14 1.07 -0.88 0.40 -1.14 0.00 0.00 176.83 176.42 2dmf h ILE 23 N 0.68 1.19 -1.56 3.27 2.04 -1.47 -3.38 117.51 118.28 2dmf h ILE 23 Ca 0.08 -2.24 -0.68 0.00 1.00 0.00 0.00 64.86 63.02 2dmf h ILE 23 Cb 0.83 2.60 -0.34 0.00 -0.74 0.00 0.00 36.82 39.18 2dmf h ILE 23 CO 0.07 0.42 0.27 -1.22 0.00 0.00 0.00 178.15 177.69 2dmf n TYR 24 N -4.46 3.13 -0.28 1.37 4.01 0.21 -4.80 117.16 116.34 2dmf n TYR 24 Ca -0.25 -2.67 0.10 0.00 -0.16 0.00 0.00 57.90 54.92 2dmf n TYR 24 Cb 0.63 -0.79 0.25 0.00 -0.31 0.00 0.00 39.34 39.12 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 2.63 0.07 0.00 7.72 -0.00 -0.53 -2.61 115.31 122.60 2dmf h LEU 25 Ca 0.47 0.17 -0.16 0.00 -0.00 0.00 0.00 57.88 58.35 2dmf h LEU 25 Cb 0.59 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.43 2dmf h LEU 25 CO 1.21 -0.07 -1.56 -0.67 -0.00 0.00 0.00 178.44 177.34 2dmf n ASP 26 N -5.16 1.17 -0.12 0.17 -0.08 -1.26 -4.58 116.55 106.69 2dmf n ASP 26 Ca 0.18 0.09 0.24 0.00 -1.51 0.00 0.00 54.79 53.79 2dmf n ASP 26 Cb 0.58 -0.27 0.40 0.00 2.34 0.00 0.00 41.12 44.17 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2dmf h GLU 27 N -0.30 0.00 -4.29 -0.67 5.08 -1.89 -3.37 114.58 109.14 2dmf h GLU 27 Ca -0.25 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.85 2dmf h GLU 27 Cb 1.24 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.26 2dmf h GLU 27 CO -0.13 0.00 -0.73 -1.17 -1.00 0.00 0.00 179.01 175.98 2dmf s LEU 28 N -6.34 2.17 0.12 1.33 0.20 -0.98 -3.46 118.68 111.71 2dmf s LEU 28 Ca -0.02 -0.38 0.08 0.00 0.69 0.00 0.00 54.13 54.50 2dmf s LEU 28 Cb 0.12 -0.11 -0.04 0.00 -0.43 0.00 0.00 46.19 45.73 2dmf s LEU 28 CO 0.41 -0.14 -0.12 -1.10 -0.29 0.00 0.00 176.35 175.11 2dmf s GLN 29 N -1.05 2.03 -0.01 1.98 -1.52 -0.68 -4.62 119.66 115.79 2dmf s GLN 29 Ca -0.08 -1.10 0.02 0.00 -1.95 0.00 0.00 55.36 52.26 2dmf s GLN 29 Cb -0.07 -2.24 -0.00 0.00 -0.22 0.00 0.00 33.01 30.48 2dmf s GLN 29 CO -0.00 0.49 -0.07 0.08 -0.25 0.00 0.00 175.29 175.54 2dmf s VAL 30 N -1.26 0.54 0.07 1.09 1.01 -1.26 -0.44 120.40 120.15 2dmf s VAL 30 Ca 0.21 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2dmf s VAL 30 Cb -0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2dmf s VAL 30 CO 0.13 0.15 -0.25 -0.63 0.00 0.00 0.00 175.10 174.50 2dmf s ILE 31 N -0.14 2.28 -0.24 2.22 -1.09 0.19 -4.95 121.20 119.46 2dmf s ILE 31 Ca 0.02 -1.47 -0.00 0.00 -2.23 0.00 0.00 60.65 56.98 2dmf s ILE 31 Cb -0.03 -1.93 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 2dmf s ILE 31 CO -0.00 0.28 -0.09 -0.54 -1.23 0.00 0.00 174.94 173.36 2dmf s LYS 32 N -1.51 2.71 -0.03 2.79 1.02 -1.26 -2.88 119.74 120.57 2dmf s LYS 32 Ca 0.13 -1.05 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 2dmf s LYS 32 Cb -0.10 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2dmf s LYS 32 CO 0.04 -0.42 0.06 0.41 -0.92 0.00 0.00 175.35 174.51 2dmf n GLY 33 N 4.61 -4.55 0.13 -3.33 0.00 -0.57 -5.00 105.19 96.48 2dmf n GLY 33 Ca -0.16 0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 1.08 1.94 0.00 1.61 5.15 -1.11 -4.83 115.26 119.10 2dmf n ASN 34 Ca -0.10 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 2dmf n ASN 34 Cb 0.15 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 2dmf n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dmf n GLY 35 N 1.44 -1.67 0.00 8.20 0.00 -1.26 -4.89 105.19 107.01 2dmf n GLY 35 Ca -0.45 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.00 -0.55 1.61 0.00 -1.26 -1.82 116.66 114.64 2dmf n ARG 36 Ca 0.00 0.40 0.04 0.00 -0.00 0.00 0.00 57.85 58.28 2dmf n ARG 36 Cb 0.00 -0.64 0.20 0.00 0.00 0.00 0.00 32.46 32.02 2dmf n ARG 36 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 2dmf n THR 37 N -1.86 2.28 -4.27 5.15 5.66 -1.26 -4.03 114.28 115.95 2dmf n THR 37 Ca 0.00 -2.69 -0.32 0.00 -3.05 0.00 0.00 64.05 57.99 2dmf n THR 37 Cb 0.00 -0.27 -0.07 0.00 -1.55 0.00 0.00 70.33 68.44 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 -1.10 -0.09 -3.99 1.09 7.64 -0.75 -4.59 113.62 111.83 2dmf n SER 38 Ca 0.24 -1.19 -0.30 0.00 1.01 0.00 0.00 58.87 58.63 2dmf n SER 38 Cb 0.83 -2.00 0.23 0.00 -1.01 0.00 0.00 64.21 62.25 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 -7.15 -0.92 -0.32 1.43 0.04 -1.26 -3.35 135.00 123.47 2dmf s PRO 39 Ca 0.19 0.04 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 2dmf s PRO 39 Cb -0.11 -1.62 0.04 0.00 0.04 0.00 0.00 34.50 32.85 2dmf s PRO 39 CO 0.97 -3.53 0.07 -1.58 0.04 0.00 0.00 177.00 172.97 2dmf s TRP 40 N -3.00 3.23 -0.33 0.56 0.52 0.94 -1.51 118.94 119.35 2dmf s TRP 40 Ca 0.70 -1.47 -0.20 0.00 0.02 0.00 0.00 56.10 55.16 2dmf s TRP 40 Cb -0.11 -2.22 -0.00 0.00 -1.15 0.00 0.00 33.47 29.98 2dmf s TRP 40 CO 0.56 -0.73 0.59 -2.00 0.02 0.00 0.00 176.95 175.40 2dmf s GLU 41 N 1.38 3.76 -0.06 4.98 2.12 -1.14 -0.64 118.70 129.10 2dmf s GLU 41 Ca -0.02 0.09 0.05 0.00 0.36 0.00 0.00 54.97 55.45 2dmf s GLU 41 Cb -0.19 -3.77 -0.02 0.00 0.26 0.00 0.00 34.13 30.41 2dmf s GLU 41 CO 0.02 -0.63 -0.22 0.42 -0.54 0.00 0.00 175.26 174.31 2dmf s ILE 42 N 2.56 2.38 0.39 -3.70 1.01 -0.29 0.55 121.20 124.11 2dmf s ILE 42 Ca 0.23 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 59.99 2dmf s ILE 42 Cb -0.15 -1.89 -0.08 0.00 0.01 0.00 0.00 42.46 40.35 2dmf s ILE 42 CO 0.13 0.57 0.01 -0.31 0.00 0.00 0.00 174.94 175.34 2dmf s TYR 43 N -0.29 2.40 -0.17 3.97 2.02 0.42 -0.36 117.35 125.34 2dmf s TYR 43 Ca 0.01 -0.71 -0.30 0.00 -0.37 0.00 0.00 57.07 55.70 2dmf s TYR 43 Cb -0.13 -1.65 0.14 0.00 -0.40 0.00 0.00 41.96 39.92 2dmf s TYR 43 CO 0.03 0.38 1.09 -1.50 -1.57 0.00 0.00 175.55 173.97 2dmf s ILE 44 N -2.81 0.00 -0.43 2.71 2.07 -1.06 -1.68 121.20 119.99 2dmf s ILE 44 Ca 0.35 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 2dmf s ILE 44 Cb 0.09 -1.00 0.12 0.00 0.13 0.00 0.00 42.46 41.80 2dmf s ILE 44 CO 0.17 0.00 0.20 -0.89 -1.91 0.00 0.00 174.94 172.51 2dmf s THR 45 N -1.49 2.91 0.30 4.00 2.01 -1.22 -0.75 115.64 121.39 2dmf s THR 45 Ca 0.03 -2.48 -0.29 0.00 0.31 0.00 0.00 61.69 59.25 2dmf s THR 45 Cb -0.01 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.38 2dmf s THR 45 CO -0.02 -0.71 1.17 -0.76 -0.69 0.00 0.00 174.62 173.61 2dmf s LEU 46 N 0.66 4.51 -0.02 4.42 1.02 -1.25 -4.99 118.68 123.03 2dmf s LEU 46 Ca 0.12 2.42 0.01 0.00 0.02 0.00 0.00 54.13 56.69 2dmf s LEU 46 Cb -0.22 -3.63 0.02 0.00 0.02 0.00 0.00 46.19 42.38 2dmf s LEU 46 CO -0.05 -0.28 -0.02 -1.00 0.02 0.00 0.00 176.35 175.02 2dmf s HIS 47 N -1.14 0.44 0.31 0.29 3.76 -1.26 -4.14 115.29 113.54 2dmf s HIS 47 Ca 0.46 -0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 55.25 2dmf s HIS 47 Cb -0.35 -0.41 0.08 0.00 1.11 0.00 0.00 32.58 33.01 2dmf s HIS 47 CO 0.45 -0.10 0.27 -0.35 -0.85 0.00 0.00 174.74 174.16 2dmf n PRO 48 N 3.72 -1.56 -3.93 8.40 -0.04 -1.26 -4.96 135.00 135.36 2dmf n PRO 48 Ca -0.22 -0.43 -0.31 0.00 -0.04 0.00 0.00 63.50 62.50 2dmf n PRO 48 Cb 0.53 -0.41 -0.15 0.00 -0.04 0.00 0.00 33.50 33.44 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 2.64 0.51 0.55 0.00 -1.26 -4.90 121.76 116.31 2dmf s ALA 49 Ca 0.18 -2.48 -0.10 0.00 0.00 0.00 0.00 51.96 49.55 2dmf s ALA 49 Cb -0.02 -1.92 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2dmf s ALA 49 CO 0.14 -1.76 0.90 0.95 0.00 0.00 0.00 175.76 175.98 2dmf s THR 50 N 0.82 4.74 -0.44 0.00 -4.23 -1.26 -5.06 115.64 110.22 2dmf s THR 50 Ca 0.12 0.71 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 2dmf s THR 50 Cb -0.20 -3.81 0.15 0.00 1.34 0.00 0.00 72.50 69.99 2dmf s THR 50 CO -0.10 -0.83 0.30 0.00 -0.54 0.00 0.00 174.62 173.45 2dmf s ALA 51 N -2.77 1.77 -0.25 3.99 0.00 -1.26 -4.88 121.76 118.36 2dmf s ALA 51 Ca 0.53 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2dmf s ALA 51 Cb -0.10 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2dmf s ALA 51 CO 0.42 -2.04 0.00 -0.85 0.00 0.00 0.00 175.76 173.28 2dmf n GLU 52 N 3.20 -1.95 -0.02 0.00 0.28 -1.26 -4.61 120.64 116.28 2dmf n GLU 52 Ca 0.19 0.14 -0.03 0.00 -0.16 0.00 0.00 57.16 57.30 2dmf n GLU 52 Cb 0.40 -4.43 -0.02 0.00 1.43 0.00 0.00 31.44 28.82 2dmf n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dmf n ASP 53 N -0.44 3.48 -2.00 -1.84 8.00 -1.26 -5.11 116.55 117.38 2dmf n ASP 53 Ca -0.03 -0.02 -0.07 0.00 0.71 0.00 0.00 54.79 55.38 2dmf n ASP 53 Cb 0.31 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dmf n GLN 54 N -2.66 0.44 -4.25 -1.24 10.64 -1.26 -5.18 117.38 113.86 2dmf n GLN 54 Ca -0.08 -1.35 -0.26 0.00 -1.83 0.00 0.00 57.00 53.48 2dmf n GLN 54 Cb 0.59 1.41 -0.08 0.00 -0.86 0.00 0.00 30.24 31.29 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2dmf s ASP 55 N -2.10 4.56 -0.17 2.61 1.01 -1.26 -4.55 116.67 116.77 2dmf s ASP 55 Ca 0.13 -0.52 -0.15 0.00 0.71 0.00 0.00 52.55 52.72 2dmf s ASP 55 Cb -0.01 -0.88 -0.22 0.00 1.01 0.00 0.00 42.92 42.81 2dmf s ASP 55 CO 0.09 0.07 0.28 -1.20 0.21 0.00 0.00 175.17 174.62 2dmf n SER 56 N -0.29 1.98 -0.15 0.27 7.64 -1.26 -4.05 113.62 117.77 2dmf n SER 56 Ca -0.09 0.33 0.27 0.00 1.01 0.00 0.00 58.87 60.39 2dmf n SER 56 Cb 0.56 -0.93 0.57 0.00 -1.01 0.00 0.00 64.21 63.41 2dmf n SER 56 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2dmf h GLN 57 N -0.53 0.00 0.25 1.43 4.20 -1.97 0.22 115.11 118.71 2dmf h GLN 57 Ca -0.38 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 2dmf h GLN 57 Cb 1.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.41 2dmf h GLN 57 CO -0.08 0.00 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.04 2dmf h TYR 58 N 0.00 -0.31 -3.53 2.96 3.20 -2.00 -3.41 116.97 113.88 2dmf h TYR 58 Ca 0.42 -0.01 -0.64 0.00 3.14 0.00 0.00 58.73 61.64 2dmf h TYR 58 Cb 2.35 0.10 -0.21 0.00 1.54 0.00 0.00 36.73 40.51 2dmf h TYR 58 CO 0.00 -0.13 -0.62 0.54 -1.64 0.00 0.00 178.16 176.31 2dmf s VAL 59 N -5.80 4.33 -0.28 1.81 0.11 0.76 -4.16 120.40 117.16 2dmf s VAL 59 Ca -0.15 -0.18 -0.21 0.00 -2.93 0.00 0.00 61.98 58.51 2dmf s VAL 59 Cb 0.04 -2.99 0.12 0.00 -1.53 0.00 0.00 36.38 32.03 2dmf s VAL 59 CO 0.63 0.38 0.97 0.00 -3.33 0.00 0.00 175.10 173.75 2dmf s PHE 61 N 0.74 1.95 -0.94 0.00 -0.71 -1.26 -2.73 117.98 115.04 2dmf s PHE 61 Ca -0.02 -1.26 -0.26 0.00 -1.04 0.00 0.00 56.93 54.34 2dmf s PHE 61 Cb -0.05 -1.43 -0.16 0.00 -1.21 0.00 0.00 43.02 40.17 2dmf s PHE 61 CO -0.10 -0.66 2.23 0.99 -1.34 0.00 0.00 175.22 176.34 2dmf s THR 62 N 1.55 3.08 -0.43 -4.49 2.01 -1.05 -3.96 115.64 112.35 2dmf s THR 62 Ca 0.00 -0.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.62 2dmf s THR 62 Cb -0.16 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 2dmf s THR 62 CO -0.08 -0.16 2.36 -0.11 -0.69 0.00 0.00 174.62 175.94 2dmf n LEU 63 N 18.54 2.45 -4.50 4.42 0.00 0.07 -3.18 117.00 134.81 2dmf n LEU 63 Ca 0.44 -0.18 -0.43 0.00 0.00 0.00 0.00 56.01 55.84 2dmf n LEU 63 Cb 0.45 -1.51 -0.06 0.00 0.00 0.00 0.00 43.42 42.30 2dmf n LEU 63 CO 0.57 -1.19 0.41 -0.69 0.00 0.00 0.00 177.39 176.49 2dmf s VAL 64 N 10.49 4.79 -0.39 1.96 1.01 -0.42 -2.57 120.40 135.26 2dmf s VAL 64 Ca 1.02 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 2dmf s VAL 64 Cb -0.35 -4.28 0.07 0.00 0.00 0.00 0.00 36.38 31.82 2dmf s VAL 64 CO 0.32 -0.73 0.21 -0.76 0.00 0.00 0.00 175.10 174.15 2dmf s LEU 65 N 2.91 4.92 -0.40 3.92 1.43 0.52 -1.30 118.68 130.67 2dmf s LEU 65 Ca 0.21 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.73 2dmf s LEU 65 Cb -0.15 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2dmf s LEU 65 CO 0.17 -0.47 0.46 -1.58 0.23 0.00 0.00 176.35 175.16 2dmf s GLN 66 N 1.41 3.25 -0.35 1.70 -0.44 -0.89 -1.13 119.66 123.21 2dmf s GLN 66 Ca 0.02 -0.59 -0.18 0.00 -2.50 0.00 0.00 55.36 52.11 2dmf s GLN 66 Cb -0.22 -3.92 -0.01 0.00 -1.64 0.00 0.00 33.01 27.22 2dmf s GLN 66 CO 0.02 -0.80 0.49 0.08 0.50 0.00 0.00 175.29 175.58 2dmf s VAL 67 N 2.24 5.04 0.00 1.34 1.01 0.18 -0.40 120.40 129.82 2dmf s VAL 67 Ca 0.14 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2dmf s VAL 67 Cb -0.16 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2dmf s VAL 67 CO 0.14 -0.19 0.00 -0.81 0.00 0.00 0.00 175.10 174.24 2dmf n PRO 68 N 5.68 0.07 -0.01 2.72 -0.04 -1.26 -0.04 135.00 142.12 2dmf n PRO 68 Ca -0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.30 2dmf n PRO 68 Cb 0.49 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.81 2dmf n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dmf h ALA 69 N -2.00 0.71 -0.67 0.55 0.00 -1.92 -3.37 119.26 112.57 2dmf h ALA 69 Ca 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 54.91 53.40 2dmf h ALA 69 Cb 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2dmf h ALA 69 CO 0.00 1.53 0.12 0.93 0.00 0.00 0.00 179.25 181.83 2dmf h GLU 70 N 0.01 1.09 -3.88 0.00 3.07 -1.94 -3.45 114.58 109.48 2dmf h GLU 70 Ca -0.29 -0.29 -0.42 0.00 -0.50 0.00 0.00 59.36 57.86 2dmf h GLU 70 Cb 2.01 -0.13 0.08 0.00 -0.84 0.00 0.00 28.75 29.87 2dmf h GLU 70 CO 0.08 1.00 -0.45 0.98 -1.40 0.00 0.00 179.01 179.22 2dmf n TYR 71 N -4.24 -0.73 0.17 4.33 4.19 -1.23 -2.24 117.16 117.41 2dmf n TYR 71 Ca 0.04 0.54 0.02 0.00 3.31 0.00 0.00 57.90 61.81 2dmf n TYR 71 Cb 0.28 -1.22 0.30 0.00 0.49 0.00 0.00 39.34 39.19 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 0.47 0.00 -0.61 2.98 0.13 -1.87 -3.44 132.00 129.66 2dmf h PRO 72 Ca -0.20 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.17 2dmf h PRO 72 Cb 0.93 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.97 2dmf h PRO 72 CO 0.34 0.45 0.36 0.72 -0.23 0.00 0.00 178.00 179.64 2dmf n HIS 73 N -3.89 0.55 -4.70 1.56 8.25 -0.95 -3.81 115.22 112.23 2dmf n HIS 73 Ca -0.01 0.55 -0.33 0.00 -0.26 0.00 0.00 57.72 57.67 2dmf n HIS 73 Cb 0.49 -0.98 -0.13 0.00 1.12 0.00 0.00 29.99 30.49 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 -4.72 3.21 0.31 -0.41 2.12 -1.24 -4.84 118.70 113.14 2dmf s GLU 74 Ca -0.05 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 2dmf s GLU 74 Cb 0.18 -2.64 -0.10 0.00 0.26 0.00 0.00 34.13 31.83 2dmf s GLU 74 CO 0.43 0.35 1.17 0.14 -0.54 0.00 0.00 175.26 176.81 2dmf s VAL 75 N 0.00 3.22 0.31 3.70 -7.23 -1.25 -3.48 120.40 115.67 2dmf s VAL 75 Ca -0.02 1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 61.05 2dmf s VAL 75 Cb -0.14 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 32.95 2dmf s VAL 75 CO 0.04 0.26 1.23 -2.16 -0.31 0.00 0.00 175.10 174.15 2dmf s PRO 76 N -1.69 4.46 -0.52 4.82 0.04 -1.26 -4.79 135.00 136.07 2dmf s PRO 76 Ca 0.48 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 2dmf s PRO 76 Cb -0.34 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.09 2dmf s PRO 76 CO 0.44 -0.04 1.55 -1.14 0.04 0.00 0.00 177.00 177.85 2dmf s GLN 77 N -1.63 3.22 0.09 4.56 0.74 0.46 -4.76 119.66 122.33 2dmf s GLN 77 Ca 0.47 0.68 -0.25 0.00 0.05 0.00 0.00 55.36 56.31 2dmf s GLN 77 Cb -0.37 -4.17 -0.06 0.00 1.10 0.00 0.00 33.01 29.51 2dmf s GLN 77 CO 0.48 -2.03 0.76 0.42 -0.55 0.00 0.00 175.29 174.38 2dmf s ILE 78 N 6.64 4.60 -0.12 -2.34 1.01 -1.26 -2.09 121.20 127.64 2dmf s ILE 78 Ca 0.60 1.65 -0.10 0.00 0.00 0.00 0.00 60.65 62.79 2dmf s ILE 78 Cb -0.13 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.25 2dmf s ILE 78 CO 0.26 0.43 0.31 -0.44 0.00 0.00 0.00 174.94 175.50 2dmf s SER 79 N -0.49 -0.32 -0.12 3.58 0.01 -0.42 -5.03 113.70 110.92 2dmf s SER 79 Ca 0.37 0.62 -0.18 0.00 1.31 0.00 0.00 55.95 58.08 2dmf s SER 79 Cb -0.21 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.59 2dmf s SER 79 CO 0.24 -0.11 0.47 -0.63 0.41 0.00 0.00 173.24 173.62 2dmf s ILE 80 N 0.30 5.19 0.14 1.44 -1.09 -1.26 -1.30 121.20 124.62 2dmf s ILE 80 Ca -0.01 0.94 0.10 0.00 -2.23 0.00 0.00 60.65 59.45 2dmf s ILE 80 Cb -0.03 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 2dmf s ILE 80 CO -0.01 0.33 -0.25 -0.60 -1.23 0.00 0.00 174.94 173.18 2dmf s ARG 81 N 0.60 1.36 -1.16 2.79 6.06 -1.19 -4.77 118.95 122.64 2dmf s ARG 81 Ca 0.26 -1.35 -0.07 0.00 -2.50 0.00 0.00 55.73 52.07 2dmf s ARG 81 Cb -0.15 -1.77 0.01 0.00 0.06 0.00 0.00 34.95 33.10 2dmf s ARG 81 CO 0.10 0.41 0.13 0.09 -2.50 0.00 0.00 175.30 173.53 2dmf n ASN 82 N 0.79 -0.19 -4.64 -2.12 4.13 -1.26 -2.53 115.26 109.45 2dmf n ASN 82 Ca -0.17 -1.02 -0.43 0.00 1.68 0.00 0.00 54.58 54.64 2dmf n ASN 82 Cb 0.54 -1.25 -0.03 0.00 -1.54 0.00 0.00 39.78 37.50 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dmf s PRO 83 N -6.59 3.90 0.25 3.52 0.04 -1.26 -4.49 135.00 130.37 2dmf s PRO 83 Ca 0.09 1.75 0.11 0.00 0.04 0.00 0.00 61.00 62.99 2dmf s PRO 83 Cb -0.05 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.44 2dmf s PRO 83 CO 0.79 -1.17 -0.20 1.03 0.04 0.00 0.00 177.00 177.49 2dmf s ARG 84 N 4.46 1.60 0.00 4.56 1.81 -1.10 -4.76 118.95 125.53 2dmf s ARG 84 Ca 0.70 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 2dmf s ARG 84 Cb -0.26 -1.70 0.00 0.00 -0.45 0.00 0.00 34.95 32.54 2dmf s ARG 84 CO 0.28 0.32 0.00 0.41 -0.68 0.00 0.00 175.30 175.63 2dmf n GLY 85 N -0.42 1.02 3.91 -3.53 0.00 -1.26 -3.41 105.19 101.50 2dmf n GLY 85 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 2.84 0.29 0.99 1.43 -1.26 -4.68 118.68 118.30 2dmf s LEU 86 Ca 0.00 0.67 0.10 0.00 -1.03 0.00 0.00 54.13 53.88 2dmf s LEU 86 Cb 0.00 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 2dmf s LEU 86 CO 0.00 -1.52 -0.06 -0.94 0.23 0.00 0.00 176.35 174.06 2dmf s SER 87 N -4.46 4.12 0.38 2.29 1.04 -1.26 -4.93 113.70 110.88 2dmf s SER 87 Ca 0.59 -0.88 0.23 0.00 0.48 0.00 0.00 55.95 56.37 2dmf s SER 87 Cb -0.11 -0.57 1.36 0.00 0.10 0.00 0.00 66.02 66.80 2dmf s SER 87 CO 0.47 -0.06 1.58 -0.78 0.98 0.00 0.00 173.24 175.43 2dmf h ASP 88 N 1.99 0.31 0.13 7.02 3.58 -1.99 0.12 116.42 127.58 2dmf h ASP 88 Ca -0.42 0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2dmf h ASP 88 Cb 1.25 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2dmf h ASP 88 CO 0.62 -0.39 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.20 2dmf h GLU 89 N 0.02 -0.16 -0.83 0.28 5.08 -2.00 -2.30 114.58 114.67 2dmf h GLU 89 Ca 0.85 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 59.42 2dmf h GLU 89 Cb 2.33 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 31.47 2dmf h GLU 89 CO -0.70 -0.11 -0.02 1.96 -1.00 0.00 0.00 179.01 179.14 2dmf h GLN 90 N -0.24 0.07 0.27 2.33 1.08 -1.62 -0.85 115.11 116.14 2dmf h GLN 90 Ca -0.02 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 2dmf h GLN 90 Cb 0.13 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 2dmf h GLN 90 CO 0.03 0.05 -0.44 0.82 -0.95 0.00 0.00 178.83 178.33 2dmf h ILE 91 N 0.07 0.12 -0.99 2.54 2.04 -0.89 -2.51 117.51 117.89 2dmf h ILE 91 Ca 0.46 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.41 2dmf h ILE 91 Cb 0.83 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.91 2dmf h ILE 91 CO -0.76 0.00 -0.57 -0.74 0.00 0.00 0.00 178.15 176.08 2dmf h HIS 92 N -0.78 -1.82 -0.42 1.37 2.76 -0.55 0.33 115.15 116.04 2dmf h HIS 92 Ca -0.01 0.13 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 2dmf h HIS 92 Cb 0.74 0.93 -0.09 0.00 1.55 0.00 0.00 27.41 30.53 2dmf h HIS 92 CO -0.32 -0.37 -0.37 1.15 -1.30 0.00 0.00 177.93 176.72 2dmf h THR 93 N -0.00 0.17 -0.88 6.26 2.02 -1.27 -1.71 112.91 117.50 2dmf h THR 93 Ca 0.18 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.48 2dmf h THR 93 Cb 0.43 0.17 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 2dmf h THR 93 CO -0.94 0.00 -0.39 -0.38 0.37 0.00 0.00 175.52 174.18 2dmf n ILE 94 N -5.42 -0.50 0.18 3.11 5.41 0.08 -0.88 119.36 121.34 2dmf n ILE 94 Ca 0.01 2.09 -0.15 0.00 1.00 0.00 0.00 62.75 65.70 2dmf n ILE 94 Cb 0.35 -2.71 -0.08 0.00 -0.71 0.00 0.00 39.64 36.48 2dmf n ILE 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2dmf h LEU 95 N 0.00 -1.26 -0.50 1.39 3.38 -1.07 -1.65 115.31 115.60 2dmf h LEU 95 Ca 0.26 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.39 2dmf h LEU 95 Cb 0.48 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 2dmf h LEU 95 CO -0.86 -0.52 -0.29 0.00 0.09 0.00 0.00 178.44 176.85 2dmf n GLN 96 N -5.02 -0.22 0.05 1.13 6.02 -0.06 -0.23 117.38 119.06 2dmf n GLN 96 Ca -0.09 1.04 -0.07 0.00 -0.01 0.00 0.00 57.00 57.87 2dmf n GLN 96 Cb 0.37 -1.53 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 2dmf n GLN 96 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dmf h VAL 97 N 0.00 0.00 -0.98 5.09 2.07 -1.27 -1.27 116.25 119.89 2dmf h VAL 97 Ca 0.08 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.93 2dmf h VAL 97 Cb 0.20 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.79 2dmf h VAL 97 CO -0.47 0.00 0.24 0.18 0.02 0.00 0.00 177.57 177.55 2dmf n LEU 98 N -3.69 0.09 -0.05 2.57 4.77 -0.55 0.52 117.00 120.64 2dmf n LEU 98 Ca -0.04 1.65 -0.11 0.00 -0.03 0.00 0.00 56.01 57.49 2dmf n LEU 98 Cb 0.17 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 2dmf n LEU 98 CO 0.07 -1.75 0.87 1.23 -1.33 0.00 0.00 177.39 176.48 2dmf h GLY 99 N 0.00 0.31 0.37 -0.72 0.00 0.19 -2.94 103.07 100.27 2dmf h GLY 99 Ca 0.70 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.98 2dmf h GLY 99 CO -0.85 0.15 0.34 0.84 0.00 0.00 0.00 176.54 177.02 2dmf h HIS 100 N 0.18 0.60 -0.70 5.60 -0.00 0.12 -1.37 115.15 119.58 2dmf h HIS 100 Ca 0.07 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.59 2dmf h HIS 100 Cb 0.14 -0.16 -0.09 0.00 -0.00 0.00 0.00 27.41 27.31 2dmf h HIS 100 CO -0.02 0.18 0.25 0.28 -0.00 0.00 0.00 177.93 178.62 2dmf h VAL 101 N 0.55 0.67 0.77 5.26 2.07 -1.19 0.25 116.25 124.63 2dmf h VAL 101 Ca 0.37 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.72 2dmf h VAL 101 Cb 0.45 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2dmf h VAL 101 CO -0.31 0.07 -0.37 0.00 0.02 0.00 0.00 177.57 176.98 2dmf h ALA 102 N 1.51 -1.03 -0.92 1.67 0.00 -1.20 0.16 119.26 119.45 2dmf h ALA 102 Ca 0.37 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2dmf h ALA 102 Cb 0.55 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 2dmf h ALA 102 CO -0.39 -1.05 0.55 0.87 0.00 0.00 0.00 179.25 179.24 2dmf h LYS 103 N -1.10 0.86 0.00 0.00 1.57 -1.05 0.15 116.57 117.00 2dmf h LYS 103 Ca -0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2dmf h LYS 103 Cb 0.80 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2dmf h LYS 103 CO 0.17 0.57 -0.18 0.00 -0.57 0.00 0.00 179.45 179.45 2dmf h ALA 104 N 1.51 1.02 -0.84 3.86 0.00 -0.37 -3.13 119.26 121.30 2dmf h ALA 104 Ca 0.45 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 54.61 2dmf h ALA 104 Cb 0.45 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.83 2dmf h ALA 104 CO -0.26 0.22 -0.25 0.41 0.00 0.00 0.00 179.25 179.37 2dmf n GLY 105 N 0.16 6.22 3.78 0.00 0.00 0.55 -5.05 105.19 110.86 2dmf n GLY 105 Ca 0.00 -2.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.68 3.25 0.00 0.99 1.43 -0.66 -3.43 118.68 116.59 2dmf s LEU 106 Ca 0.56 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.51 2dmf s LEU 106 Cb 0.44 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 42.13 2dmf s LEU 106 CO 0.02 -1.66 0.00 0.61 0.23 0.00 0.00 176.35 175.54 2dmf n GLY 107 N -1.04 1.86 3.92 -3.19 0.00 -1.26 -4.93 105.19 100.55 2dmf n GLY 107 Ca 0.09 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2dmf n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmf s THR 108 N -0.16 1.60 -0.16 2.61 -4.23 -1.22 -4.78 115.64 109.30 2dmf s THR 108 Ca 0.00 -1.45 -0.29 0.00 -1.18 0.00 0.00 61.69 58.77 2dmf s THR 108 Cb 0.00 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.77 2dmf s THR 108 CO 0.00 0.00 1.36 0.00 -0.54 0.00 0.00 174.62 175.44 2dmf s ALA 109 N -2.79 3.61 -0.12 3.99 0.00 -1.26 -4.81 121.76 120.38 2dmf s ALA 109 Ca 0.35 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.89 2dmf s ALA 109 Cb -0.03 -3.67 -0.12 0.00 0.00 0.00 0.00 23.12 19.31 2dmf s ALA 109 CO 0.22 -1.31 -0.02 0.00 0.00 0.00 0.00 175.76 174.65 2dmf n MET 110 N 6.83 1.57 -0.00 0.00 3.85 -1.26 -4.68 117.12 123.43 2dmf n MET 110 Ca 0.15 0.03 -0.00 0.00 -1.00 0.00 0.00 57.70 56.87 2dmf n MET 110 Cb 0.45 -1.27 -0.00 0.00 -1.05 0.00 0.00 33.22 31.34 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 -2.58 -0.01 -0.29 3.17 4.77 -1.26 0.10 117.00 120.91 2dmf n LEU 111 Ca -0.20 0.60 0.05 0.00 -0.03 0.00 0.00 56.01 56.44 2dmf n LEU 111 Cb 0.81 -0.30 0.14 0.00 -2.33 0.00 0.00 43.42 41.74 2dmf n LEU 111 CO 0.19 -0.31 0.73 0.22 -1.33 0.00 0.00 177.39 176.90 2dmf h TYR 112 N 0.00 -0.31 0.81 -1.77 3.20 -1.97 -0.93 116.97 116.00 2dmf h TYR 112 Ca 0.00 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 2dmf h TYR 112 Cb 0.00 0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 2dmf h TYR 112 CO -0.56 -0.35 -0.46 0.93 -1.64 0.00 0.00 178.16 176.08 2dmf h GLU 113 N 0.02 -1.14 -0.92 1.82 5.08 0.43 -2.62 114.58 117.25 2dmf h GLU 113 Ca 0.43 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 59.03 2dmf h GLU 113 Cb 0.72 0.26 -0.16 0.00 0.50 0.00 0.00 28.75 30.06 2dmf h GLU 113 CO -0.83 -0.76 -0.31 -0.07 -1.00 0.00 0.00 179.01 176.03 2dmf h LEU 114 N -1.19 -1.16 0.07 1.33 3.38 0.93 -0.72 115.31 117.96 2dmf h LEU 114 Ca -0.11 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dmf h LEU 114 Cb 0.94 0.66 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2dmf h LEU 114 CO 0.13 -0.30 -0.21 0.40 0.09 0.00 0.00 178.44 178.55 2dmf h ILE 115 N -0.02 0.00 -0.73 1.22 2.04 -1.16 -2.79 117.51 116.07 2dmf h ILE 115 Ca 0.38 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.34 2dmf h ILE 115 Cb 0.63 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 2dmf h ILE 115 CO -0.94 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 176.40 2dmf h GLU 116 N -0.32 -0.15 -0.82 2.37 4.39 -0.91 -0.92 114.58 118.22 2dmf h GLU 116 Ca -0.01 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.79 2dmf h GLU 116 Cb 0.31 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.89 2dmf h GLU 116 CO -0.10 -0.10 -0.44 1.17 -1.16 0.00 0.00 179.01 178.38 2dmf n LYS 117 N -5.38 -0.31 -0.32 2.33 3.00 -0.37 0.16 118.16 117.26 2dmf n LYS 117 Ca 0.03 1.24 0.12 0.00 -0.00 0.00 0.00 58.31 59.69 2dmf n LYS 117 Cb 0.34 -1.82 0.33 0.00 0.00 0.00 0.00 35.03 33.88 2dmf n LYS 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2dmf h GLY 118 N 0.00 1.50 0.85 3.14 0.00 -0.92 -0.24 103.07 107.40 2dmf h GLY 118 Ca 0.17 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.19 2dmf h GLY 118 CO -0.78 0.05 0.61 0.50 0.00 0.00 0.00 176.54 176.92 2dmf h LYS 119 N 0.78 1.13 -0.03 4.80 1.79 0.18 -2.12 116.57 123.10 2dmf h LYS 119 Ca 0.51 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.89 2dmf h LYS 119 Cb 0.76 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2dmf h LYS 119 CO -0.28 0.75 -0.07 0.93 -1.08 0.00 0.00 179.45 179.69 2dmf h GLU 120 N 1.16 0.10 -0.07 3.15 4.39 -0.41 -2.99 114.58 119.91 2dmf h GLU 120 Ca 0.38 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.02 2dmf h GLU 120 Cb 0.03 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2dmf h GLU 120 CO -0.13 0.67 -0.22 0.82 -1.16 0.00 0.00 179.01 178.99 2dmf h ILE 121 N -0.46 0.00 -0.54 3.13 2.04 -0.98 -2.47 117.51 118.23 2dmf h ILE 121 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 2dmf h ILE 121 Cb 0.68 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.65 2dmf h ILE 121 CO 0.02 0.00 -0.40 0.25 0.00 0.00 0.00 178.15 178.02 2dmf h LEU 122 N -0.23 -1.37 -0.93 1.44 6.46 -1.52 0.59 115.31 119.75 2dmf h LEU 122 Ca 0.01 0.23 0.29 0.00 -0.12 0.00 0.00 57.88 58.30 2dmf h LEU 122 Cb 0.27 0.63 -0.17 0.00 -0.73 0.00 0.00 40.66 40.66 2dmf h LEU 122 CO -0.19 -0.33 0.13 0.41 -0.62 0.00 0.00 178.44 177.84 2dmf n THR 123 N -5.42 -0.39 0.15 1.05 -1.04 -0.97 0.12 114.28 107.78 2dmf n THR 123 Ca 0.02 2.02 -0.14 0.00 -2.04 0.00 0.00 64.05 63.91 2dmf n THR 123 Cb 0.35 -3.02 -0.08 0.00 -1.82 0.00 0.00 70.33 65.76 2dmf n THR 123 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2dmf h ASP 124 N 0.00 -0.30 -0.93 8.00 3.58 -0.46 -3.12 116.42 123.19 2dmf h ASP 124 Ca 0.62 -0.14 -0.63 0.00 0.42 0.00 0.00 57.03 57.30 2dmf h ASP 124 Cb 1.39 0.08 -0.27 0.00 1.72 0.00 0.00 39.33 42.24 2dmf h ASP 124 CO -0.84 -0.03 0.81 0.59 -2.88 0.00 0.00 179.24 176.90 2dmf n ASN 125 N -5.15 7.44 -0.17 2.28 3.02 0.13 -4.57 115.26 118.25 2dmf n ASN 125 Ca -0.10 -3.69 -0.10 0.00 -0.03 0.00 0.00 54.58 50.67 2dmf n ASN 125 Cb 0.23 -0.99 0.03 0.00 -0.61 0.00 0.00 39.78 38.44 2dmf n ASN 125 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 2dmf h ASN 126 N 1.90 0.99 -3.40 6.41 -1.24 0.97 -3.44 115.58 117.77 2dmf h ASN 126 Ca 0.57 -0.33 -0.53 0.00 0.71 0.00 0.00 56.30 56.72 2dmf h ASN 126 Cb 0.88 -0.27 0.07 0.00 0.73 0.00 0.00 38.32 39.73 2dmf h ASN 126 CO 1.48 1.11 0.80 -0.63 -1.29 0.00 0.00 177.43 178.90 2dmf s ILE 127 N -4.81 2.41 -0.24 2.57 1.09 -1.26 -4.92 121.20 116.04 2dmf s ILE 127 Ca -0.11 0.35 -0.29 0.00 -1.10 0.00 0.00 60.65 59.50 2dmf s ILE 127 Cb 0.13 -3.22 -0.02 0.00 -1.06 0.00 0.00 42.46 38.28 2dmf s ILE 127 CO 0.86 0.06 1.62 -2.16 -0.10 0.00 0.00 174.94 175.22 2dmf s PRO 128 N -0.55 3.75 -0.03 2.79 0.04 -1.26 -5.00 135.00 134.73 2dmf s PRO 128 Ca 0.60 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.27 2dmf s PRO 128 Cb -0.44 -4.05 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 2dmf s PRO 128 CO 0.46 -1.35 -0.06 -1.01 0.04 0.00 0.00 177.00 175.08 2dmf s HIS 129 N 5.36 2.94 -0.10 0.56 3.76 -1.26 -4.89 115.29 121.66 2dmf s HIS 129 Ca 0.72 0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 55.61 2dmf s HIS 129 Cb -0.24 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 31.79 2dmf s HIS 129 CO 0.30 0.37 0.06 0.41 -0.85 0.00 0.00 174.74 175.03 2dmf n GLY 130 N 1.86 -3.73 3.73 -2.22 0.00 -1.26 -4.90 105.19 98.67 2dmf n GLY 130 Ca -0.17 0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2dmf n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dmf s GLN 131 N -0.79 3.95 0.51 1.61 -0.21 -1.26 -5.07 119.66 118.40 2dmf s GLN 131 Ca -0.07 -0.24 0.08 0.00 0.02 0.00 0.00 55.36 55.15 2dmf s GLN 131 Cb 0.00 -3.30 0.04 0.00 1.00 0.00 0.00 33.01 30.76 2dmf s GLN 131 CO 0.33 0.40 0.61 -1.12 -2.12 0.00 0.00 175.29 173.38 2dmf s SER 132 N 0.05 5.14 -0.29 5.90 0.01 -1.26 -5.14 113.70 118.12 2dmf s SER 132 Ca 0.08 -0.80 -0.10 0.00 1.31 0.00 0.00 55.95 56.44 2dmf s SER 132 Cb -0.12 -0.04 0.12 0.00 0.21 0.00 0.00 66.02 66.20 2dmf s SER 132 CO -0.00 -1.06 0.63 -0.83 0.41 0.00 0.00 173.24 172.39 2dmf s GLY 133 N -4.44 -0.68 -0.30 3.44 0.00 -1.26 -5.12 107.32 98.96 2dmf s GLY 133 Ca 0.53 2.26 -0.29 0.00 0.00 0.00 0.00 44.72 47.23 2dmf s GLY 133 CO 0.33 2.95 1.67 2.56 0.00 0.00 0.00 173.10 180.61 2dmf s PRO 134 N 2.78 3.56 -0.65 2.90 0.04 -1.26 -4.95 135.00 137.42 2dmf s PRO 134 Ca -0.06 1.45 0.05 0.00 0.04 0.00 0.00 61.00 62.48 2dmf s PRO 134 Cb -0.12 -4.11 0.16 0.00 0.04 0.00 0.00 34.50 30.48 2dmf s PRO 134 CO -0.18 -1.58 0.44 -1.12 0.04 0.00 0.00 177.00 174.60 2dmf s SER 135 N 5.00 4.49 -0.13 6.66 0.01 -1.26 -5.04 113.70 123.42 2dmf s SER 135 Ca 0.74 -3.65 -0.06 0.00 1.31 0.00 0.00 55.95 54.28 2dmf s SER 135 Cb -0.22 -1.54 0.06 0.00 0.21 0.00 0.00 66.02 64.53 2dmf s SER 135 CO 0.32 -0.11 0.30 -0.94 0.41 0.00 0.00 173.24 173.22 2dmf s SER 136 N -1.14 -0.15 0.00 2.44 1.04 -1.26 -5.37 113.70 109.26 2dmf s SER 136 Ca 0.24 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2dmf s SER 136 Cb -0.07 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2dmf s SER 136 CO -0.14 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.49