#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 3.21 0.04 1.61 3.41 -1.26 -4.82 113.62 115.81 2dmf n SER 2 Ca 0.00 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 2dmf n SER 2 Cb 0.00 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2dmf n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmf n SER 3 N -0.58 0.26 -3.65 4.04 2.88 -1.26 -5.04 113.62 110.27 2dmf n SER 3 Ca 0.25 0.11 -0.26 0.00 -1.33 0.00 0.00 58.87 57.65 2dmf n SER 3 Cb 0.86 -0.02 -0.17 0.00 -0.75 0.00 0.00 64.21 64.13 2dmf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmf s GLY 4 N -4.75 0.43 -0.24 0.46 0.00 -1.26 -4.65 107.32 97.31 2dmf s GLY 4 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.34 2dmf s GLY 4 CO 0.00 1.62 0.05 -1.35 0.00 0.00 0.00 173.10 173.41 2dmf s SER 5 N 2.07 3.40 0.15 1.64 1.04 -1.26 -5.08 113.70 115.66 2dmf s SER 5 Ca 0.02 -1.14 0.10 0.00 0.48 0.00 0.00 55.95 55.41 2dmf s SER 5 Cb -0.16 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.17 2dmf s SER 5 CO -0.08 -0.33 -0.21 -0.44 0.98 0.00 0.00 173.24 173.15 2dmf s SER 6 N 1.73 3.64 -0.34 7.02 0.01 -1.26 -5.06 113.70 119.45 2dmf s SER 6 Ca 0.02 -0.70 0.15 0.00 1.31 0.00 0.00 55.95 56.73 2dmf s SER 6 Cb -0.17 -0.39 0.43 0.00 0.21 0.00 0.00 66.02 66.10 2dmf s SER 6 CO -0.14 0.16 1.23 0.61 0.41 0.00 0.00 173.24 175.51 2dmf n GLY 7 N 0.61 1.58 3.17 3.44 0.00 -1.26 -5.12 105.19 107.61 2dmf n GLY 7 Ca -0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.41 0.87 0.07 1.61 8.01 -1.26 -5.08 118.70 121.51 2dmf s GLU 8 Ca 0.22 -1.37 -0.36 0.00 0.01 0.00 0.00 54.97 53.47 2dmf s GLU 8 Cb 0.42 -0.14 -0.19 0.00 -4.31 0.00 0.00 34.13 29.90 2dmf s GLU 8 CO -0.05 -0.07 1.59 1.49 0.01 0.00 0.00 175.26 178.23 2dmf h GLU 9 N 2.92 -1.08 -2.70 1.61 4.57 -2.07 -3.47 114.58 114.36 2dmf h GLU 9 Ca -0.35 0.07 0.09 0.00 -1.18 0.00 0.00 59.36 57.99 2dmf h GLU 9 Cb 1.17 0.25 -0.09 0.00 -0.16 0.00 0.00 28.75 29.92 2dmf h GLU 9 CO 0.64 -0.72 0.34 0.34 -1.18 0.00 0.00 179.01 178.43 2dmf s ASP 10 N -4.22 -0.31 -0.20 1.04 2.15 -1.26 -5.15 116.67 108.73 2dmf s ASP 10 Ca -0.19 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.46 2dmf s ASP 10 Cb 0.03 0.58 0.03 0.00 -0.30 0.00 0.00 42.92 43.27 2dmf s ASP 10 CO 0.61 -1.04 -0.16 0.86 -0.17 0.00 0.00 175.17 175.27 2dmf s TRP 11 N -3.58 2.77 -0.23 -5.34 -0.00 -1.26 -4.98 118.94 106.32 2dmf s TRP 11 Ca 0.09 -1.73 0.17 0.00 -0.00 0.00 0.00 56.10 54.62 2dmf s TRP 11 Cb -0.03 -1.85 0.12 0.00 -0.00 0.00 0.00 33.47 31.71 2dmf s TRP 11 CO -0.00 -0.80 1.46 -0.39 -0.00 0.00 0.00 176.95 177.21 2dmf h VAL 12 N 6.18 0.63 -0.44 5.86 -1.51 -1.99 -3.29 116.25 121.69 2dmf h VAL 12 Ca -0.37 -1.90 0.09 0.00 -1.23 0.00 0.00 66.70 63.29 2dmf h VAL 12 Cb 1.11 2.30 -0.09 0.00 -2.13 0.00 0.00 31.29 32.48 2dmf h VAL 12 CO 0.57 0.36 -0.19 0.25 -1.23 0.00 0.00 177.57 177.33 2dmf h LEU 13 N 0.00 -0.67 -0.06 4.19 7.12 -1.94 0.13 115.31 124.09 2dmf h LEU 13 Ca -0.01 0.16 -0.02 0.00 0.13 0.00 0.00 57.88 58.14 2dmf h LEU 13 Cb 1.29 0.37 -0.00 0.00 -0.53 0.00 0.00 40.66 41.79 2dmf h LEU 13 CO 0.05 -0.23 -0.06 1.55 -0.13 0.00 0.00 178.44 179.62 2dmf h PRO 14 N -0.10 0.15 -0.50 5.25 0.13 -2.01 -2.81 132.00 132.11 2dmf h PRO 14 Ca 0.21 -0.08 0.09 0.00 -0.87 0.00 0.00 66.00 65.35 2dmf h PRO 14 Cb 0.43 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.49 2dmf h PRO 14 CO -0.51 0.59 0.06 0.77 -0.23 0.00 0.00 178.00 178.68 2dmf h SER 15 N -0.29 -0.08 -0.35 1.44 0.02 -1.54 -0.03 113.55 112.71 2dmf h SER 15 Ca 0.01 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2dmf h SER 15 Cb 0.56 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2dmf h SER 15 CO 0.01 -0.01 0.16 -0.08 -1.14 0.00 0.00 176.83 175.77 2dmf h GLU 16 N 0.18 0.57 -0.75 3.45 4.22 -0.79 -2.43 114.58 119.04 2dmf h GLU 16 Ca 0.25 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.58 2dmf h GLU 16 Cb 0.36 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2dmf h GLU 16 CO -0.36 0.47 0.33 0.28 -2.18 0.00 0.00 179.01 177.55 2dmf h VAL 17 N 0.57 1.25 -0.59 0.32 2.07 -0.75 -2.39 116.25 116.72 2dmf h VAL 17 Ca 0.14 -0.73 0.12 0.00 0.82 0.00 0.00 66.70 67.05 2dmf h VAL 17 Cb 0.11 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.11 2dmf h VAL 17 CO -0.01 0.30 -0.15 -0.33 0.02 0.00 0.00 177.57 177.39 2dmf h GLU 18 N 1.06 -0.01 -0.03 1.57 5.08 -0.84 0.45 114.58 121.86 2dmf h GLU 18 Ca 0.25 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2dmf h GLU 18 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2dmf h GLU 18 CO -0.03 -0.01 -0.48 -0.24 -1.00 0.00 0.00 179.01 177.25 2dmf h VAL 19 N -0.01 1.35 -0.23 3.13 3.04 -1.58 -2.96 116.25 118.99 2dmf h VAL 19 Ca 0.28 -1.67 -0.14 0.00 -1.01 0.00 0.00 66.70 64.16 2dmf h VAL 19 Cb 0.44 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2dmf h VAL 19 CO -0.61 0.48 -0.44 -0.07 -1.01 0.00 0.00 177.57 175.93 2dmf h LEU 20 N 0.05 0.62 -1.24 3.16 3.38 -0.16 -2.87 115.31 118.25 2dmf h LEU 20 Ca -0.00 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2dmf h LEU 20 Cb 0.88 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2dmf h LEU 20 CO 0.07 0.97 -0.32 -0.33 0.09 0.00 0.00 178.44 178.92 2dmf h GLU 21 N 0.47 0.10 -0.20 1.13 5.08 -0.11 0.65 114.58 121.70 2dmf h GLU 21 Ca 0.03 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2dmf h GLU 21 Cb 0.95 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2dmf h GLU 21 CO 0.09 0.42 -0.56 1.03 -1.00 0.00 0.00 179.01 178.98 2dmf h SER 22 N 0.09 0.68 0.00 1.42 0.87 -1.40 -0.90 113.55 114.31 2dmf h SER 22 Ca 0.01 -0.37 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 2dmf h SER 22 Cb 0.62 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 2dmf h SER 22 CO 0.04 1.10 -0.53 0.40 -0.53 0.00 0.00 176.83 177.32 2dmf h ILE 23 N 0.47 0.22 -1.33 2.23 2.04 -1.29 -3.39 117.51 116.46 2dmf h ILE 23 Ca 0.01 -1.24 -0.66 0.00 1.00 0.00 0.00 64.86 63.96 2dmf h ILE 23 Cb 1.12 0.49 -0.26 0.00 -0.74 0.00 0.00 36.82 37.43 2dmf h ILE 23 CO 0.11 0.07 0.87 -1.22 0.00 0.00 0.00 178.15 177.98 2dmf n TYR 24 N -4.61 2.85 -0.30 1.37 4.01 0.23 -4.75 117.16 115.95 2dmf n TYR 24 Ca -0.10 -2.58 0.01 0.00 -0.16 0.00 0.00 57.90 55.06 2dmf n TYR 24 Cb 0.30 -1.31 0.07 0.00 -0.31 0.00 0.00 39.34 38.09 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 2.58 -1.02 0.00 7.72 -0.00 -1.24 -1.95 115.31 121.40 2dmf h LEU 25 Ca 0.55 0.26 -0.34 0.00 -0.00 0.00 0.00 57.88 58.35 2dmf h LEU 25 Cb 0.52 0.59 -0.05 0.00 -0.00 0.00 0.00 40.66 41.72 2dmf h LEU 25 CO 1.40 -0.29 -2.14 -0.67 -0.00 0.00 0.00 178.44 176.74 2dmf n ASP 26 N -5.51 1.48 -0.23 0.17 -0.08 -1.26 -4.47 116.55 106.65 2dmf n ASP 26 Ca 0.10 0.24 0.29 0.00 -1.51 0.00 0.00 54.79 53.91 2dmf n ASP 26 Cb 0.41 -0.59 0.44 0.00 2.34 0.00 0.00 41.12 43.72 2dmf n ASP 26 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dmf n GLU 27 N -3.89 0.01 -4.28 -0.67 1.02 -1.23 -4.10 120.64 107.50 2dmf n GLU 27 Ca -0.40 1.01 -0.18 0.00 -0.02 0.00 0.00 57.16 57.56 2dmf n GLU 27 Cb 0.79 -2.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.57 2dmf n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2dmf s LEU 28 N -6.46 1.92 -0.14 -4.62 0.20 -0.73 -3.93 118.68 104.91 2dmf s LEU 28 Ca -0.03 -0.14 -0.05 0.00 0.69 0.00 0.00 54.13 54.60 2dmf s LEU 28 Cb 0.14 -0.41 -0.04 0.00 -0.43 0.00 0.00 46.19 45.46 2dmf s LEU 28 CO 0.48 0.07 0.04 -1.58 -0.29 0.00 0.00 176.35 175.08 2dmf s GLN 29 N -0.03 3.60 -0.15 1.98 2.00 -0.60 -4.63 119.66 121.83 2dmf s GLN 29 Ca 0.01 -0.35 0.01 0.00 -2.00 0.00 0.00 55.36 53.03 2dmf s GLN 29 Cb -0.05 -3.06 0.01 0.00 0.80 0.00 0.00 33.01 30.71 2dmf s GLN 29 CO -0.00 0.46 -0.19 0.08 -0.50 0.00 0.00 175.29 175.14 2dmf s VAL 30 N -0.17 2.31 0.01 1.34 1.01 -1.26 -1.21 120.40 122.43 2dmf s VAL 30 Ca 0.07 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2dmf s VAL 30 Cb -0.12 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2dmf s VAL 30 CO 0.01 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 174.81 2dmf s ILE 31 N 0.91 2.53 0.19 2.22 1.01 -0.36 -5.02 121.20 122.68 2dmf s ILE 31 Ca -0.04 -1.11 0.05 0.00 0.00 0.00 0.00 60.65 59.55 2dmf s ILE 31 Cb -0.15 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2dmf s ILE 31 CO -0.03 0.46 0.17 -0.54 0.00 0.00 0.00 174.94 175.00 2dmf s LYS 32 N -1.04 2.96 0.47 2.79 1.02 -1.26 -2.83 119.74 121.85 2dmf s LYS 32 Ca 0.12 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.26 2dmf s LYS 32 Cb -0.10 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2dmf s LYS 32 CO 0.02 0.46 0.13 0.20 -0.92 0.00 0.00 175.35 175.24 2dmf s GLY 33 N -3.34 2.63 -0.04 -3.33 0.00 -1.26 -4.91 107.32 97.07 2dmf s GLY 33 Ca 0.32 -1.35 -0.02 0.00 0.00 0.00 0.00 44.72 43.67 2dmf s GLY 33 CO 0.24 -2.06 0.09 0.21 0.00 0.00 0.00 173.10 171.59 2dmf s ASN 34 N -3.93 -0.07 0.00 1.64 2.47 -1.26 -4.86 114.94 108.93 2dmf s ASN 34 Ca 0.26 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.72 2dmf s ASN 34 Cb 0.03 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.96 2dmf s ASN 34 CO 0.14 -0.08 0.00 0.61 -3.72 0.00 0.00 177.10 174.05 2dmf n GLY 35 N 3.61 0.08 0.00 1.21 0.00 -1.26 -4.48 105.19 104.35 2dmf n GLY 35 Ca -0.20 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2dmf n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmf n ARG 36 N 0.00 0.00 -0.28 1.61 5.12 -1.26 -4.36 116.66 117.49 2dmf n ARG 36 Ca 0.00 0.33 0.01 0.00 -1.93 0.00 0.00 57.85 56.26 2dmf n ARG 36 Cb 0.00 -0.82 0.14 0.00 -1.16 0.00 0.00 32.46 30.62 2dmf n ARG 36 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 2dmf h THR 37 N 0.00 0.96 -6.70 0.55 1.35 -2.01 -3.46 112.91 103.60 2dmf h THR 37 Ca 0.00 -0.28 -0.45 0.00 -0.55 0.00 0.00 66.41 65.14 2dmf h THR 37 Cb 0.00 0.08 -0.11 0.00 -1.73 0.00 0.00 68.15 66.39 2dmf h THR 37 CO 0.00 0.15 -0.72 -1.20 -0.25 0.00 0.00 175.52 173.50 2dmf n SER 38 N -4.73 -0.42 -4.73 5.36 7.64 -1.26 -3.93 113.62 111.56 2dmf n SER 38 Ca 0.12 -0.94 -0.41 0.00 1.01 0.00 0.00 58.87 58.64 2dmf n SER 38 Cb 0.22 -1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 62.24 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dmf s PRO 39 N -6.39 4.38 -0.28 1.43 0.04 -1.26 -4.32 135.00 128.61 2dmf s PRO 39 Ca 0.11 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 2dmf s PRO 39 Cb -0.06 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2dmf s PRO 39 CO 0.72 -0.27 0.52 -1.58 0.04 0.00 0.00 177.00 176.43 2dmf s TRP 40 N 0.27 3.25 -0.26 0.56 0.52 -0.14 -4.02 118.94 119.11 2dmf s TRP 40 Ca 0.58 0.56 -0.14 0.00 0.02 0.00 0.00 56.10 57.11 2dmf s TRP 40 Cb -0.36 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 2dmf s TRP 40 CO 0.37 -0.34 0.32 -2.00 0.02 0.00 0.00 176.95 175.32 2dmf s GLU 41 N 2.34 4.02 -0.03 4.98 2.12 -1.13 -0.65 118.70 130.36 2dmf s GLU 41 Ca 0.21 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.57 2dmf s GLU 41 Cb -0.16 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 2dmf s GLU 41 CO 0.10 -0.21 -0.26 0.42 -0.54 0.00 0.00 175.26 174.78 2dmf s ILE 42 N 1.85 2.04 0.29 -3.70 1.01 0.25 -1.22 121.20 121.73 2dmf s ILE 42 Ca 0.13 -1.09 0.12 0.00 0.00 0.00 0.00 60.65 59.80 2dmf s ILE 42 Cb -0.16 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2dmf s ILE 42 CO 0.10 0.57 -0.18 -0.31 0.00 0.00 0.00 174.94 175.12 2dmf s TYR 43 N -0.51 2.32 -0.29 3.97 2.02 -0.35 -0.31 117.35 124.20 2dmf s TYR 43 Ca 0.07 -0.36 -0.22 0.00 -0.37 0.00 0.00 57.07 56.19 2dmf s TYR 43 Cb -0.11 -1.06 0.15 0.00 -0.40 0.00 0.00 41.96 40.54 2dmf s TYR 43 CO 0.00 0.69 1.15 -1.50 -1.57 0.00 0.00 175.55 174.33 2dmf s ILE 44 N -2.52 0.00 -0.35 2.71 2.07 -1.18 -1.56 121.20 120.37 2dmf s ILE 44 Ca 0.30 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.55 2dmf s ILE 44 Cb -0.04 -1.00 0.09 0.00 0.13 0.00 0.00 42.46 41.64 2dmf s ILE 44 CO 0.15 0.00 0.07 -0.89 -1.91 0.00 0.00 174.94 172.37 2dmf s THR 45 N 0.48 2.73 0.44 4.00 2.01 -1.25 0.16 115.64 124.21 2dmf s THR 45 Ca 0.01 -1.99 -0.22 0.00 0.31 0.00 0.00 61.69 59.79 2dmf s THR 45 Cb -0.04 -2.84 -0.09 0.00 0.01 0.00 0.00 72.50 69.54 2dmf s THR 45 CO -0.11 -0.47 1.04 -0.76 -0.69 0.00 0.00 174.62 173.62 2dmf s LEU 46 N 1.07 3.99 0.03 4.42 1.43 -1.21 -4.94 118.68 123.47 2dmf s LEU 46 Ca 0.05 1.96 0.04 0.00 -1.03 0.00 0.00 54.13 55.15 2dmf s LEU 46 Cb -0.21 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 2dmf s LEU 46 CO -0.05 -0.62 -0.12 -1.00 0.23 0.00 0.00 176.35 174.79 2dmf s HIS 47 N -1.85 1.07 0.43 0.29 3.76 -1.26 -3.84 115.29 113.89 2dmf s HIS 47 Ca 0.62 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 55.12 2dmf s HIS 47 Cb -0.18 -0.64 0.11 0.00 1.11 0.00 0.00 32.58 32.97 2dmf s HIS 47 CO 0.23 0.01 0.38 -0.35 -0.85 0.00 0.00 174.74 174.16 2dmf n PRO 48 N 1.99 -1.76 -3.62 8.40 -0.04 -1.26 -4.94 135.00 133.77 2dmf n PRO 48 Ca -0.18 -0.60 -0.28 0.00 -0.04 0.00 0.00 63.50 62.39 2dmf n PRO 48 Cb 0.55 -0.57 -0.12 0.00 -0.04 0.00 0.00 33.50 33.33 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 -2.99 2.13 0.05 0.55 0.00 -1.26 -4.93 121.76 115.30 2dmf s ALA 49 Ca 0.25 -2.74 0.07 0.00 0.00 0.00 0.00 51.96 49.53 2dmf s ALA 49 Cb -0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2dmf s ALA 49 CO 0.19 -2.04 -0.20 0.99 0.00 0.00 0.00 175.76 174.70 2dmf s THR 50 N -0.07 1.58 0.12 0.00 2.01 -1.26 -5.05 115.64 112.97 2dmf s THR 50 Ca 0.25 -1.20 -0.23 0.00 0.31 0.00 0.00 61.69 60.82 2dmf s THR 50 Cb -0.10 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.97 2dmf s THR 50 CO -0.10 0.15 1.18 0.00 -0.69 0.00 0.00 174.62 175.16 2dmf n ALA 51 N 1.79 -0.48 -1.63 7.40 0.00 -1.26 0.21 120.51 126.54 2dmf n ALA 51 Ca -0.18 0.63 -0.32 0.00 0.00 0.00 0.00 53.44 53.58 2dmf n ALA 51 Cb 0.54 -0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2dmf n ALA 51 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dmf n GLU 52 N -4.88 3.33 0.00 0.00 2.13 -1.26 -4.01 120.64 115.95 2dmf n GLU 52 Ca 0.01 -2.66 0.00 0.00 0.66 0.00 0.00 57.16 55.18 2dmf n GLU 52 Cb 0.19 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dmf n ASP 53 N 1.54 1.28 -0.65 4.31 2.03 0.13 -4.65 116.55 120.54 2dmf n ASP 53 Ca 0.56 0.00 0.49 0.00 0.52 0.00 0.00 54.79 56.35 2dmf n ASP 53 Cb 0.44 0.00 0.75 0.00 -0.72 0.00 0.00 41.12 41.59 2dmf n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmf n GLN 54 N -2.18 -0.00 -0.08 -0.67 10.64 -1.24 0.53 117.38 124.38 2dmf n GLN 54 Ca 0.00 0.99 -0.12 0.00 -1.83 0.00 0.00 57.00 56.04 2dmf n GLN 54 Cb 0.23 -2.28 -0.09 0.00 -0.86 0.00 0.00 30.24 27.24 2dmf n GLN 54 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2dmf h ASP 55 N 0.00 0.00 -4.63 2.61 3.32 -1.87 -3.48 116.42 112.37 2dmf h ASP 55 Ca 0.86 -0.55 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 2dmf h ASP 55 Cb 3.44 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 42.77 2dmf h ASP 55 CO -0.01 1.00 -0.66 -0.44 -1.72 0.00 0.00 179.24 177.41 2dmf s SER 56 N -6.20 0.12 -0.68 6.45 0.01 0.19 -5.11 113.70 108.48 2dmf s SER 56 Ca -0.17 -0.28 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 2dmf s SER 56 Cb 0.01 0.11 0.18 0.00 0.21 0.00 0.00 66.02 66.53 2dmf s SER 56 CO 0.47 -0.23 0.55 0.00 0.41 0.00 0.00 173.24 174.44 2dmf s GLN 57 N -1.03 2.93 0.22 12.44 0.00 -1.26 -4.16 119.66 128.80 2dmf s GLN 57 Ca -0.11 -2.43 -0.08 0.00 -0.00 0.00 0.00 55.36 52.74 2dmf s GLN 57 Cb -0.07 -4.00 0.36 0.00 0.00 0.00 0.00 33.01 29.30 2dmf s GLN 57 CO -0.00 -1.22 1.71 -0.92 0.00 0.00 0.00 175.29 174.86 2dmf h TYR 58 N 7.43 0.28 -3.54 9.60 3.20 -1.92 -3.38 116.97 128.64 2dmf h TYR 58 Ca 0.01 0.04 -0.64 0.00 3.14 0.00 0.00 58.73 61.27 2dmf h TYR 58 Cb 0.99 -0.02 -0.21 0.00 1.54 0.00 0.00 36.73 39.03 2dmf h TYR 58 CO 0.82 -0.02 -0.61 0.54 -1.64 0.00 0.00 178.16 177.24 2dmf s VAL 59 N -6.08 4.38 -0.18 1.81 0.11 -1.26 -4.75 120.40 114.44 2dmf s VAL 59 Ca -0.13 -0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 58.49 2dmf s VAL 59 Cb 0.19 -3.02 0.08 0.00 -1.53 0.00 0.00 36.38 32.10 2dmf s VAL 59 CO 0.75 0.38 0.76 0.00 -3.33 0.00 0.00 175.10 173.66 2dmf s PHE 61 N -0.38 1.15 -0.72 0.00 -0.71 -1.25 -2.90 117.98 113.17 2dmf s PHE 61 Ca -0.04 -0.41 -0.26 0.00 -1.04 0.00 0.00 56.93 55.17 2dmf s PHE 61 Cb -0.03 -0.91 0.00 0.00 -1.21 0.00 0.00 43.02 40.87 2dmf s PHE 61 CO 0.04 -0.27 1.61 0.99 -1.34 0.00 0.00 175.22 176.25 2dmf s THR 62 N 0.91 3.54 -0.66 -4.49 2.01 -1.12 -3.32 115.64 112.52 2dmf s THR 62 Ca -0.11 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.80 2dmf s THR 62 Cb -0.15 -4.40 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 2dmf s THR 62 CO 0.01 -1.35 1.85 -0.22 -0.69 0.00 0.00 174.62 174.21 2dmf s LEU 63 N 7.58 3.27 -0.14 4.42 0.20 0.44 -2.63 118.68 131.81 2dmf s LEU 63 Ca 0.53 0.17 -0.29 0.00 0.69 0.00 0.00 54.13 55.23 2dmf s LEU 63 Cb -0.09 -2.53 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 2dmf s LEU 63 CO 0.14 -2.40 1.08 -0.69 -0.29 0.00 0.00 176.35 174.19 2dmf s VAL 64 N 9.04 4.61 -0.31 1.68 1.01 -0.71 -3.09 120.40 132.63 2dmf s VAL 64 Ca 0.66 1.91 0.04 0.00 0.00 0.00 0.00 61.98 64.59 2dmf s VAL 64 Cb -0.12 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.12 2dmf s VAL 64 CO 0.18 -0.06 -0.00 -0.76 0.00 0.00 0.00 175.10 174.45 2dmf s LEU 65 N 2.54 4.32 -0.43 3.92 1.43 0.58 -2.75 118.68 128.29 2dmf s LEU 65 Ca 0.49 -1.91 -0.15 0.00 -1.03 0.00 0.00 54.13 51.53 2dmf s LEU 65 Cb -0.19 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.47 2dmf s LEU 65 CO 0.15 -0.32 0.33 -1.58 0.23 0.00 0.00 176.35 175.16 2dmf s GLN 66 N 0.97 2.96 -0.48 1.70 0.74 -1.07 -0.58 119.66 123.91 2dmf s GLN 66 Ca 0.05 -1.12 -0.21 0.00 0.05 0.00 0.00 55.36 54.12 2dmf s GLN 66 Cb -0.19 -4.02 0.04 0.00 1.10 0.00 0.00 33.01 29.94 2dmf s GLN 66 CO -0.07 -0.83 0.69 0.08 -0.55 0.00 0.00 175.29 174.61 2dmf s VAL 67 N 1.66 4.76 0.35 1.34 1.01 0.18 -1.00 120.40 128.70 2dmf s VAL 67 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 2dmf s VAL 67 Cb -0.21 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 31.97 2dmf s VAL 67 CO 0.09 -0.74 0.31 -0.81 0.00 0.00 0.00 175.10 173.94 2dmf n PRO 68 N 6.45 -1.63 0.07 2.72 -0.04 -1.26 -0.97 135.00 140.35 2dmf n PRO 68 Ca -0.02 -0.50 -0.15 0.00 -0.04 0.00 0.00 63.50 62.79 2dmf n PRO 68 Cb 0.47 -0.46 -0.07 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.27 -0.85 0.55 0.00 -1.88 -3.27 119.26 111.88 2dmf h ALA 69 Ca -0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 2dmf h ALA 69 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2dmf h ALA 69 CO 0.08 0.81 0.53 0.93 0.00 0.00 0.00 179.25 181.59 2dmf h GLU 70 N 0.23 1.14 -3.98 0.00 4.39 -1.91 -3.45 114.58 111.00 2dmf h GLU 70 Ca -0.10 -0.09 -0.44 0.00 0.34 0.00 0.00 59.36 59.06 2dmf h GLU 70 Cb 1.67 -0.24 0.08 0.00 -0.10 0.00 0.00 28.75 30.15 2dmf h GLU 70 CO 0.18 0.79 -0.38 0.98 -1.16 0.00 0.00 179.01 179.42 2dmf n TYR 71 N -4.45 -0.41 0.19 4.33 4.19 -1.23 -1.76 117.16 118.02 2dmf n TYR 71 Ca 0.09 0.63 0.05 0.00 3.31 0.00 0.00 57.90 61.97 2dmf n TYR 71 Cb 0.04 -1.29 0.38 0.00 0.49 0.00 0.00 39.34 38.96 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 0.63 0.00 -0.53 2.98 0.13 -1.86 -3.44 132.00 129.90 2dmf h PRO 72 Ca -0.19 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.13 2dmf h PRO 72 Cb 0.96 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.99 2dmf h PRO 72 CO 0.37 0.37 0.17 0.72 -0.23 0.00 0.00 178.00 179.41 2dmf n HIS 73 N -3.75 0.51 -4.27 1.56 8.25 -0.72 -3.70 115.22 113.09 2dmf n HIS 73 Ca -0.01 0.63 -0.34 0.00 -0.26 0.00 0.00 57.72 57.74 2dmf n HIS 73 Cb 0.45 -1.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.44 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 -5.04 3.60 0.48 -0.41 2.12 -1.23 -4.66 118.70 113.56 2dmf s GLU 74 Ca -0.06 -0.54 -0.23 0.00 0.36 0.00 0.00 54.97 54.50 2dmf s GLU 74 Cb 0.17 -2.96 -0.07 0.00 0.26 0.00 0.00 34.13 31.53 2dmf s GLU 74 CO 0.41 0.12 1.31 0.14 -0.54 0.00 0.00 175.26 176.71 2dmf s VAL 75 N 0.69 2.43 0.09 3.70 -7.23 -1.24 -3.49 120.40 115.34 2dmf s VAL 75 Ca -0.02 0.34 -0.31 0.00 -1.81 0.00 0.00 61.98 60.19 2dmf s VAL 75 Cb -0.14 -3.19 -0.07 0.00 0.56 0.00 0.00 36.38 33.54 2dmf s VAL 75 CO 0.02 0.02 1.38 -2.16 -0.31 0.00 0.00 175.10 174.05 2dmf s PRO 76 N -2.64 4.32 -0.30 4.82 0.04 -1.26 -4.78 135.00 135.21 2dmf s PRO 76 Ca 0.65 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.44 2dmf s PRO 76 Cb -0.38 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 30.79 2dmf s PRO 76 CO 0.46 -0.45 2.28 1.04 0.04 0.00 0.00 177.00 180.38 2dmf n GLN 77 N 4.19 1.68 -3.27 4.56 3.00 -0.17 -4.67 117.38 122.70 2dmf n GLN 77 Ca 0.12 0.38 -0.38 0.00 -0.01 0.00 0.00 57.00 57.11 2dmf n GLN 77 Cb 0.43 -3.26 -0.06 0.00 0.00 0.00 0.00 30.24 27.36 2dmf n GLN 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2dmf s ILE 78 N 9.31 5.15 -0.12 5.09 1.01 -1.26 -2.59 121.20 137.79 2dmf s ILE 78 Ca 1.01 1.05 -0.15 0.00 0.00 0.00 0.00 60.65 62.56 2dmf s ILE 78 Cb -0.32 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.33 2dmf s ILE 78 CO 0.33 0.32 0.40 -0.44 0.00 0.00 0.00 174.94 175.56 2dmf s SER 79 N 0.58 -0.38 -0.30 3.58 0.01 -1.11 -5.00 113.70 111.08 2dmf s SER 79 Ca 0.28 0.65 -0.20 0.00 1.31 0.00 0.00 55.95 57.99 2dmf s SER 79 Cb -0.16 0.70 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 2dmf s SER 79 CO 0.12 -0.24 0.61 -0.63 0.41 0.00 0.00 173.24 173.51 2dmf s ILE 80 N -0.22 4.96 0.01 1.44 -1.09 -1.26 -1.74 121.20 123.30 2dmf s ILE 80 Ca -0.04 0.84 0.06 0.00 -2.23 0.00 0.00 60.65 59.29 2dmf s ILE 80 Cb -0.03 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2dmf s ILE 80 CO 0.02 -0.11 -0.18 0.00 -1.23 0.00 0.00 174.94 173.44 2dmf s ARG 81 N 2.55 2.19 -1.30 2.79 1.70 -1.08 -4.69 118.95 121.11 2dmf s ARG 81 Ca 0.24 -0.90 -0.01 0.00 -0.47 0.00 0.00 55.73 54.59 2dmf s ARG 81 Cb -0.15 -2.22 0.01 0.00 -0.57 0.00 0.00 34.95 32.02 2dmf s ARG 81 CO 0.11 0.57 0.80 0.09 -1.08 0.00 0.00 175.30 175.79 2dmf n ASN 82 N 1.89 -1.80 -4.67 -2.89 3.02 -1.26 -2.79 115.26 106.75 2dmf n ASN 82 Ca -0.16 -0.76 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 2dmf n ASN 82 Cb 0.52 -4.31 -0.03 0.00 -0.61 0.00 0.00 39.78 35.35 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 -5.90 4.23 -0.17 3.52 0.04 -1.26 -4.45 135.00 131.01 2dmf s PRO 83 Ca 0.07 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.12 2dmf s PRO 83 Cb -0.03 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.75 2dmf s PRO 83 CO 0.79 -0.70 -0.11 0.50 0.04 0.00 0.00 177.00 177.52 2dmf s ARG 84 N 3.17 3.33 0.00 4.56 6.06 -1.14 -4.68 118.95 130.25 2dmf s ARG 84 Ca 0.66 -0.69 0.00 0.00 -2.50 0.00 0.00 55.73 53.21 2dmf s ARG 84 Cb -0.31 -2.74 0.00 0.00 0.06 0.00 0.00 34.95 31.96 2dmf s ARG 84 CO 0.26 0.02 0.00 0.41 -2.50 0.00 0.00 175.30 173.49 2dmf n GLY 85 N 4.08 1.65 3.78 8.12 0.00 -1.26 -3.74 105.19 117.82 2dmf n GLY 85 Ca -0.19 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 2.74 0.45 0.99 1.43 -1.26 -3.80 118.68 119.23 2dmf s LEU 86 Ca 0.00 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2dmf s LEU 86 Cb 0.00 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 2dmf s LEU 86 CO 0.00 -2.04 0.04 -0.94 0.23 0.00 0.00 176.35 173.65 2dmf s SER 87 N -3.63 3.57 0.25 2.29 1.04 -1.26 -4.84 113.70 111.11 2dmf s SER 87 Ca 0.61 -1.60 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 2dmf s SER 87 Cb -0.16 0.36 0.44 0.00 0.10 0.00 0.00 66.02 66.76 2dmf s SER 87 CO 0.56 -0.81 1.78 -0.78 0.98 0.00 0.00 173.24 174.97 2dmf h ASP 88 N 1.59 0.57 0.54 7.02 1.82 -1.99 -0.73 116.42 125.26 2dmf h ASP 88 Ca -0.41 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.27 2dmf h ASP 88 Cb 1.29 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 2dmf h ASP 88 CO 0.70 0.29 -0.31 -0.08 -1.61 0.00 0.00 179.24 178.24 2dmf h GLU 89 N 0.69 -0.76 -0.11 0.28 4.81 -1.99 -0.25 114.58 117.23 2dmf h GLU 89 Ca 0.41 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.74 2dmf h GLU 89 Cb 0.48 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 2dmf h GLU 89 CO -0.30 -0.51 -0.19 1.96 -0.73 0.00 0.00 179.01 179.24 2dmf h GLN 90 N -0.79 -0.24 -0.87 1.92 1.08 -1.85 -1.80 115.11 112.56 2dmf h GLN 90 Ca -0.07 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.26 2dmf h GLN 90 Cb 0.63 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 28.04 2dmf h GLN 90 CO 0.09 -0.16 0.50 0.82 -0.95 0.00 0.00 178.83 179.13 2dmf h ILE 91 N -0.25 0.88 -0.65 2.54 2.04 -1.06 -1.43 117.51 119.59 2dmf h ILE 91 Ca 0.09 -0.28 0.12 0.00 1.00 0.00 0.00 64.86 65.80 2dmf h ILE 91 Cb 0.38 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.38 2dmf h ILE 91 CO -0.26 0.15 0.19 -0.74 0.00 0.00 0.00 178.15 177.49 2dmf h HIS 92 N 0.81 0.32 0.10 1.37 2.76 -0.16 -1.06 115.15 119.29 2dmf h HIS 92 Ca 0.43 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.63 2dmf h HIS 92 Cb 0.44 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.36 2dmf h HIS 92 CO -0.05 0.01 -0.05 1.15 -1.30 0.00 0.00 177.93 177.69 2dmf h THR 93 N 0.33 1.09 -0.61 6.26 2.02 -1.01 -3.12 112.91 117.89 2dmf h THR 93 Ca 0.34 -0.78 0.12 0.00 0.77 0.00 0.00 66.41 66.87 2dmf h THR 93 Cb 0.50 1.58 -0.12 0.00 -1.74 0.00 0.00 68.15 68.38 2dmf h THR 93 CO -0.39 0.19 -0.19 0.40 0.37 0.00 0.00 175.52 175.90 2dmf h ILE 94 N -0.50 0.34 -0.04 3.11 2.04 -0.84 -2.11 117.51 119.51 2dmf h ILE 94 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2dmf h ILE 94 Cb 0.41 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2dmf h ILE 94 CO 0.02 0.00 -0.41 -0.07 0.00 0.00 0.00 178.15 177.70 2dmf h LEU 95 N -0.04 -1.27 -0.87 1.44 3.38 -1.22 -1.04 115.31 115.69 2dmf h LEU 95 Ca 0.29 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.55 2dmf h LEU 95 Cb 0.48 0.49 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 2dmf h LEU 95 CO -0.64 -0.38 -0.32 1.56 0.09 0.00 0.00 178.44 178.75 2dmf h GLN 96 N -0.48 -0.04 0.02 1.13 1.08 -1.33 0.17 115.11 115.66 2dmf h GLN 96 Ca 0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2dmf h GLN 96 Cb 0.53 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 2dmf h GLN 96 CO -0.29 -0.02 -0.03 0.28 -0.95 0.00 0.00 178.83 177.82 2dmf h VAL 97 N -0.04 0.00 -0.98 -0.54 2.07 -0.88 0.15 116.25 116.03 2dmf h VAL 97 Ca 0.35 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.20 2dmf h VAL 97 Cb 0.61 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.22 2dmf h VAL 97 CO -0.90 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 177.11 2dmf h LEU 98 N -0.05 0.33 -0.27 2.57 3.38 -0.63 0.31 115.31 120.95 2dmf h LEU 98 Ca -0.00 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2dmf h LEU 98 Cb 0.04 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2dmf h LEU 98 CO -0.01 -0.23 0.03 1.23 0.09 0.00 0.00 178.44 179.55 2dmf h GLY 99 N 0.20 0.49 0.22 0.83 0.00 -0.26 -2.91 103.07 101.64 2dmf h GLY 99 Ca 0.73 -0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.82 2dmf h GLY 99 CO -0.68 0.31 0.02 0.84 0.00 0.00 0.00 176.54 177.03 2dmf h HIS 100 N 0.26 0.00 -0.78 5.60 -0.00 0.25 -0.83 115.15 119.65 2dmf h HIS 100 Ca 0.08 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.55 2dmf h HIS 100 Cb 0.37 0.07 -0.06 0.00 -0.00 0.00 0.00 27.41 27.79 2dmf h HIS 100 CO 0.03 -0.09 0.45 0.28 -0.00 0.00 0.00 177.93 178.60 2dmf h VAL 101 N 0.13 0.98 0.67 5.26 2.07 -1.38 -0.85 116.25 123.13 2dmf h VAL 101 Ca 0.25 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2dmf h VAL 101 Cb 0.36 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2dmf h VAL 101 CO -0.39 0.15 -0.32 0.00 0.02 0.00 0.00 177.57 177.02 2dmf h ALA 102 N 1.40 -1.14 -0.90 1.67 0.00 -1.01 0.20 119.26 119.48 2dmf h ALA 102 Ca 0.35 -0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.29 2dmf h ALA 102 Cb 0.23 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 2dmf h ALA 102 CO -0.20 -1.07 0.40 0.87 0.00 0.00 0.00 179.25 179.25 2dmf h LYS 103 N -0.98 0.39 0.00 0.00 1.57 -1.10 0.74 116.57 117.19 2dmf h LYS 103 Ca -0.09 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2dmf h LYS 103 Cb 0.69 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2dmf h LYS 103 CO 0.15 0.26 -0.33 0.00 -0.57 0.00 0.00 179.45 178.96 2dmf h ALA 104 N 1.71 1.14 -0.92 3.86 0.00 -1.06 -3.08 119.26 120.91 2dmf h ALA 104 Ca 0.56 -0.30 -0.63 0.00 0.00 0.00 0.00 54.91 54.54 2dmf h ALA 104 Cb 1.07 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 18.46 2dmf h ALA 104 CO -0.53 0.41 0.19 0.41 0.00 0.00 0.00 179.25 179.73 2dmf n GLY 105 N -0.10 6.07 3.72 0.00 0.00 0.25 -5.03 105.19 110.10 2dmf n GLY 105 Ca -0.01 -2.47 -0.29 0.00 0.00 0.00 0.00 46.02 43.25 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 -3.74 2.00 -0.67 0.99 1.43 -0.72 -3.32 118.68 114.65 2dmf s LEU 106 Ca 0.59 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 2dmf s LEU 106 Cb 0.47 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 43.08 2dmf s LEU 106 CO -0.01 -2.75 0.00 0.61 0.23 0.00 0.00 176.35 174.43 2dmf n GLY 107 N -1.38 0.60 2.35 -3.19 0.00 -1.25 -4.84 105.19 97.47 2dmf n GLY 107 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.63 0.00 -2.75 2.61 -2.24 -1.21 -4.92 114.28 104.14 2dmf n THR 108 Ca -0.06 -1.31 -0.42 0.00 -2.27 0.00 0.00 64.05 59.99 2dmf n THR 108 Cb 0.40 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 -2.49 3.46 0.00 6.98 0.00 -1.26 -4.76 121.76 123.68 2dmf s ALA 109 Ca 0.21 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.43 2dmf s ALA 109 Cb -0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2dmf s ALA 109 CO 0.15 -0.64 0.00 0.00 0.00 0.00 0.00 175.76 175.28 2dmf n MET 110 N 5.13 1.25 -0.24 0.00 3.85 -1.26 -4.79 117.12 121.06 2dmf n MET 110 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 57.70 56.71 2dmf n MET 110 Cb 0.49 -0.82 -0.06 0.00 -1.05 0.00 0.00 33.22 31.78 2dmf n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2dmf n LEU 111 N -1.79 -0.61 -0.07 3.17 4.77 -1.26 0.69 117.00 121.89 2dmf n LEU 111 Ca 0.00 1.09 -0.08 0.00 -0.03 0.00 0.00 56.01 56.99 2dmf n LEU 111 Cb 0.32 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2dmf n LEU 111 CO 0.00 -0.87 0.67 0.22 -1.33 0.00 0.00 177.39 176.08 2dmf h TYR 112 N 0.00 -0.74 0.63 -1.77 3.20 -1.95 -2.40 116.97 113.94 2dmf h TYR 112 Ca 0.09 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 2dmf h TYR 112 Cb 0.24 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2dmf h TYR 112 CO -0.66 -0.35 -0.46 0.93 -1.64 0.00 0.00 178.16 175.98 2dmf h GLU 113 N -0.26 -1.01 -0.80 1.82 4.39 -0.05 -2.55 114.58 116.12 2dmf h GLU 113 Ca 0.15 0.07 0.27 0.00 0.34 0.00 0.00 59.36 60.18 2dmf h GLU 113 Cb 0.50 0.23 -0.15 0.00 -0.10 0.00 0.00 28.75 29.23 2dmf h GLU 113 CO -0.44 -0.67 0.18 1.28 -1.16 0.00 0.00 179.01 178.21 2dmf n LEU 114 N -5.30 0.06 0.20 1.33 4.77 0.13 0.88 117.00 119.07 2dmf n LEU 114 Ca -0.13 1.34 -0.15 0.00 -0.03 0.00 0.00 56.01 57.05 2dmf n LEU 114 Cb 0.45 -0.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 2dmf n LEU 114 CO 0.29 -1.41 0.71 0.40 -1.33 0.00 0.00 177.39 176.04 2dmf h ILE 115 N 0.00 0.50 0.10 -0.08 2.04 -1.01 -2.69 117.51 116.37 2dmf h ILE 115 Ca 0.56 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.43 2dmf h ILE 115 Cb 1.31 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2dmf h ILE 115 CO -0.69 0.00 -0.53 -0.33 0.00 0.00 0.00 178.15 176.60 2dmf h GLU 116 N -0.56 -0.71 -1.00 2.37 4.39 0.63 -2.61 114.58 117.09 2dmf h GLU 116 Ca -0.03 0.05 0.10 0.00 0.34 0.00 0.00 59.36 59.83 2dmf h GLU 116 Cb 0.48 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 29.17 2dmf h GLU 116 CO -0.00 -0.47 -0.54 1.17 -1.16 0.00 0.00 179.01 178.00 2dmf n LYS 117 N -5.48 -0.39 -0.32 2.33 3.00 -0.86 0.11 118.16 116.54 2dmf n LYS 117 Ca -0.08 1.51 0.14 0.00 -0.00 0.00 0.00 58.31 59.88 2dmf n LYS 117 Cb 0.41 -2.23 0.29 0.00 0.00 0.00 0.00 35.03 33.50 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 1.26 0.62 3.14 0.00 -1.12 -0.41 103.07 106.57 2dmf h GLY 118 Ca 0.20 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 2dmf h GLY 118 CO -0.95 -0.48 -0.50 0.50 0.00 0.00 0.00 176.54 175.11 2dmf h LYS 119 N 0.05 -1.05 -0.92 4.80 1.57 -0.20 -1.79 116.57 119.04 2dmf h LYS 119 Ca 0.58 0.07 0.25 0.00 -1.87 0.00 0.00 60.65 59.68 2dmf h LYS 119 Cb 1.20 0.24 -0.14 0.00 0.08 0.00 0.00 32.23 33.62 2dmf h LYS 119 CO -0.84 -0.70 0.38 0.93 -0.57 0.00 0.00 179.45 178.65 2dmf h GLU 120 N -1.09 0.32 0.15 3.15 4.39 -0.83 0.10 114.58 120.76 2dmf h GLU 120 Ca -0.08 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 2dmf h GLU 120 Cb 0.92 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2dmf h GLU 120 CO 0.00 0.21 -0.11 0.82 -1.16 0.00 0.00 179.01 178.77 2dmf h ILE 121 N 0.33 0.75 -0.12 3.13 2.04 -0.86 0.27 117.51 123.06 2dmf h ILE 121 Ca 0.60 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.46 2dmf h ILE 121 Cb 1.21 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 2dmf h ILE 121 CO -0.59 0.00 0.08 0.25 0.00 0.00 0.00 178.15 177.89 2dmf h LEU 122 N -0.27 0.14 -0.96 1.44 6.46 -0.13 -2.48 115.31 119.51 2dmf h LEU 122 Ca -0.01 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2dmf h LEU 122 Cb 0.24 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 2dmf h LEU 122 CO -0.01 0.11 0.60 0.71 -0.62 0.00 0.00 178.44 179.24 2dmf h THR 123 N 0.15 1.26 0.39 1.05 1.35 -0.76 0.48 112.91 116.82 2dmf h THR 123 Ca 0.04 -0.52 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2dmf h THR 123 Cb -0.00 -0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.27 2dmf h THR 123 CO -0.01 0.26 -0.43 -0.78 -0.25 0.00 0.00 175.52 174.31 2dmf h ASP 124 N 1.31 -1.18 0.00 5.36 1.82 -0.13 -3.36 116.42 120.25 2dmf h ASP 124 Ca 0.35 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 57.09 2dmf h ASP 124 Cb -0.10 0.40 0.00 0.00 0.68 0.00 0.00 39.33 40.31 2dmf h ASP 124 CO -0.07 -0.57 0.00 0.59 -1.61 0.00 0.00 179.24 177.58 2dmf n ASN 125 N -5.51 0.00 -2.05 2.28 3.02 -0.96 -4.92 115.26 107.12 2dmf n ASN 125 Ca -0.10 0.43 -0.16 0.00 -0.03 0.00 0.00 54.58 54.72 2dmf n ASN 125 Cb 0.41 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2dmf n ASN 125 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2dmf n ASN 126 N -1.82 -4.58 -4.32 6.41 2.85 0.17 -4.94 115.26 109.01 2dmf n ASN 126 Ca 0.00 0.22 -0.33 0.00 -0.11 0.00 0.00 54.58 54.35 2dmf n ASN 126 Cb 0.00 -3.97 -0.15 0.00 1.24 0.00 0.00 39.78 36.91 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2dmf s ILE 127 N -2.63 2.97 -0.78 -1.44 1.01 -1.26 -5.06 121.20 114.01 2dmf s ILE 127 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.73 2dmf s ILE 127 Cb 0.00 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2dmf s ILE 127 CO 0.00 0.50 1.91 -2.16 0.00 0.00 0.00 174.94 175.19 2dmf s PRO 128 N 0.76 2.58 0.14 2.79 0.04 -1.26 -4.87 135.00 135.18 2dmf s PRO 128 Ca -0.05 0.09 -0.33 0.00 0.04 0.00 0.00 61.00 60.75 2dmf s PRO 128 Cb -0.15 -4.78 -0.10 0.00 0.04 0.00 0.00 34.50 29.51 2dmf s PRO 128 CO 0.01 -3.11 1.55 1.25 0.04 0.00 0.00 177.00 176.74 2dmf h HIS 129 N 12.85 -1.75 0.00 0.56 2.76 -1.95 -3.48 115.15 124.14 2dmf h HIS 129 Ca -0.05 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2dmf h HIS 129 Cb 1.07 0.83 0.00 0.00 1.55 0.00 0.00 27.41 30.86 2dmf h HIS 129 CO 1.14 -0.47 0.00 0.41 -1.30 0.00 0.00 177.93 177.72 2dmf n GLY 130 N -1.35 -0.60 3.62 5.26 0.00 -1.25 -5.10 105.19 105.77 2dmf n GLY 130 Ca -0.02 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.63 2.91 0.37 1.61 2.00 -1.26 -4.71 119.66 119.95 2dmf s GLN 131 Ca 0.00 -0.49 -0.25 0.00 -2.00 0.00 0.00 55.36 52.63 2dmf s GLN 131 Cb 0.00 -2.70 -0.09 0.00 0.80 0.00 0.00 33.01 31.02 2dmf s GLN 131 CO 0.00 0.65 1.01 0.45 -0.50 0.00 0.00 175.29 176.90 2dmf s SER 132 N -0.76 6.99 0.00 6.67 0.15 -1.26 -5.01 113.70 120.49 2dmf s SER 132 Ca 0.12 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2dmf s SER 132 Cb -0.11 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dmf s SER 132 CO 0.02 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.75 2dmf n GLY 133 N 0.39 -1.63 3.66 9.45 0.00 -1.26 -5.17 105.19 110.63 2dmf n GLY 133 Ca 0.04 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.56 0.11 -0.70 1.61 0.04 -1.26 -4.98 135.00 128.26 2dmf s PRO 134 Ca 0.00 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.28 2dmf s PRO 134 Cb 0.00 -1.71 0.15 0.00 0.04 0.00 0.00 34.50 32.98 2dmf s PRO 134 CO 0.00 -2.92 0.75 -1.12 0.04 0.00 0.00 177.00 173.75 2dmf s SER 135 N -3.51 6.42 -1.39 6.66 0.01 -1.26 -4.43 113.70 116.20 2dmf s SER 135 Ca 0.66 -1.95 -0.09 0.00 1.31 0.00 0.00 55.95 55.89 2dmf s SER 135 Cb -0.18 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.81 2dmf s SER 135 CO 0.57 -0.91 1.07 -1.20 0.41 0.00 0.00 173.24 173.18 2dmf n SER 136 N 5.50 -4.97 0.00 2.44 7.64 -1.26 -5.37 113.62 117.60 2dmf n SER 136 Ca 0.01 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2dmf n SER 136 Cb 0.44 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 59.01 2dmf n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64