#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmf h SER 2 N 0.00 0.17 -2.71 1.61 0.87 -2.07 -3.36 113.55 108.05 2dmf h SER 2 Ca 0.00 -0.08 -0.70 0.00 -1.23 0.00 0.00 61.79 59.79 2dmf h SER 2 Cb 0.00 -0.04 -0.19 0.00 -0.44 0.00 0.00 62.40 61.73 2dmf h SER 2 CO 0.00 0.20 0.59 -0.55 -0.53 0.00 0.00 176.83 176.54 2dmf s SER 3 N -5.41 6.53 0.00 6.23 0.15 -1.26 -4.91 113.70 115.04 2dmf s SER 3 Ca -0.13 -1.93 0.00 0.00 0.70 0.00 0.00 55.95 54.58 2dmf s SER 3 Cb 0.07 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2dmf s SER 3 CO 0.69 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2dmf n GLY 4 N 5.22 0.26 4.11 9.45 0.00 -1.26 -5.02 105.19 117.96 2dmf n GLY 4 Ca 0.15 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2dmf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmf n SER 5 N 3.00 -1.36 0.18 1.61 3.41 -1.26 -4.79 113.62 114.41 2dmf n SER 5 Ca 0.00 -1.07 -0.15 0.00 -0.26 0.00 0.00 58.87 57.39 2dmf n SER 5 Cb 0.00 -1.37 -0.08 0.00 -0.26 0.00 0.00 64.21 62.50 2dmf n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmf h SER 6 N -0.80 -0.34 0.00 4.04 0.02 -1.93 -3.49 113.55 111.05 2dmf h SER 6 Ca -0.52 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2dmf h SER 6 Cb 1.19 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2dmf h SER 6 CO 0.76 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 2dmf n GLY 7 N -1.13 2.55 3.63 -3.77 0.00 -1.26 -5.19 105.19 100.02 2dmf n GLY 7 Ca -0.10 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 1.82 2.02 -0.92 1.61 0.41 -1.26 -5.09 118.70 117.28 2dmf s GLU 8 Ca 0.00 -2.23 -0.10 0.00 -0.41 0.00 0.00 54.97 52.23 2dmf s GLU 8 Cb 0.00 -1.23 0.24 0.00 -1.78 0.00 0.00 34.13 31.36 2dmf s GLU 8 CO 0.00 -0.32 0.87 -1.21 -0.49 0.00 0.00 175.26 174.12 2dmf s GLU 9 N -3.81 3.72 -0.70 1.61 2.02 -1.26 -4.98 118.70 115.30 2dmf s GLU 9 Ca 0.19 -2.82 -0.06 0.00 0.02 0.00 0.00 54.97 52.30 2dmf s GLU 9 Cb 0.04 -4.38 0.18 0.00 0.10 0.00 0.00 34.13 30.07 2dmf s GLU 9 CO 0.10 -1.26 0.56 0.16 0.02 0.00 0.00 175.26 174.84 2dmf s ASP 10 N 1.53 5.73 -0.30 -0.19 -4.77 -1.26 -4.99 116.67 112.42 2dmf s ASP 10 Ca 0.23 -2.86 -0.06 0.00 -3.30 0.00 0.00 52.55 46.56 2dmf s ASP 10 Cb -0.11 -1.97 0.16 0.00 -1.09 0.00 0.00 42.92 39.92 2dmf s ASP 10 CO -0.08 -0.42 0.63 0.86 0.70 0.00 0.00 175.17 176.86 2dmf s TRP 11 N -0.08 -1.46 -0.21 2.11 -0.00 -1.26 -5.02 118.94 113.01 2dmf s TRP 11 Ca 0.18 2.00 0.17 0.00 -0.00 0.00 0.00 56.10 58.45 2dmf s TRP 11 Cb -0.17 0.68 0.09 0.00 -0.00 0.00 0.00 33.47 34.08 2dmf s TRP 11 CO -0.05 -0.77 1.38 -0.39 -0.00 0.00 0.00 176.95 177.13 2dmf h VAL 12 N 5.99 0.61 -0.48 5.86 -1.51 -1.94 -3.31 116.25 121.46 2dmf h VAL 12 Ca -0.20 -1.89 0.10 0.00 -1.23 0.00 0.00 66.70 63.47 2dmf h VAL 12 Cb 1.13 2.25 -0.10 0.00 -2.13 0.00 0.00 31.29 32.44 2dmf h VAL 12 CO 0.18 0.35 -0.18 0.25 -1.23 0.00 0.00 177.57 176.93 2dmf h LEU 13 N 0.00 -0.64 -0.45 4.19 7.12 -1.95 0.14 115.31 123.73 2dmf h LEU 13 Ca -0.02 0.16 -0.16 0.00 0.13 0.00 0.00 57.88 58.00 2dmf h LEU 13 Cb 1.31 0.37 -0.01 0.00 -0.53 0.00 0.00 40.66 41.80 2dmf h LEU 13 CO 0.05 -0.21 -0.40 1.55 -0.13 0.00 0.00 178.44 179.29 2dmf h PRO 14 N -0.07 0.85 0.00 5.25 0.13 -2.01 -2.71 132.00 133.44 2dmf h PRO 14 Ca 0.23 -0.45 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 2dmf h PRO 14 Cb 0.43 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 2dmf h PRO 14 CO -0.53 1.10 -0.16 0.77 -0.23 0.00 0.00 178.00 178.94 2dmf h SER 15 N 0.69 0.00 0.00 1.44 0.02 -1.42 -2.86 113.55 111.43 2dmf h SER 15 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2dmf h SER 15 Cb 0.98 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.53 2dmf h SER 15 CO 0.09 0.16 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.33 2dmf h GLU 16 N 0.00 0.19 -0.73 3.45 4.39 -0.61 -3.31 114.58 117.95 2dmf h GLU 16 Ca -0.00 -0.21 0.16 0.00 0.34 0.00 0.00 59.36 59.65 2dmf h GLU 16 Cb 0.30 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 28.90 2dmf h GLU 16 CO 0.02 0.95 0.12 0.28 -1.16 0.00 0.00 179.01 179.22 2dmf h VAL 17 N -0.48 0.46 -1.02 3.13 2.07 -1.26 0.13 116.25 119.27 2dmf h VAL 17 Ca -0.04 -0.07 0.35 0.00 0.82 0.00 0.00 66.70 67.76 2dmf h VAL 17 Cb 1.05 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 30.90 2dmf h VAL 17 CO 0.06 0.04 0.59 -0.33 0.02 0.00 0.00 177.57 177.94 2dmf h GLU 18 N 0.20 0.23 0.01 1.57 4.39 -1.61 0.23 114.58 119.60 2dmf h GLU 18 Ca 0.41 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.08 2dmf h GLU 18 Cb 0.72 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2dmf h GLU 18 CO -0.56 0.15 -0.07 0.28 -1.16 0.00 0.00 179.01 177.65 2dmf h VAL 19 N 0.23 1.77 -0.32 3.13 2.07 -0.93 -3.15 116.25 119.05 2dmf h VAL 19 Ca 0.77 -2.35 0.09 0.00 0.82 0.00 0.00 66.70 66.03 2dmf h VAL 19 Cb 1.87 3.36 -0.01 0.00 -1.52 0.00 0.00 31.29 34.99 2dmf h VAL 19 CO -0.62 0.61 0.40 -0.07 0.02 0.00 0.00 177.57 177.91 2dmf h LEU 20 N -0.94 0.00 0.03 2.57 3.38 -0.25 -0.49 115.31 119.62 2dmf h LEU 20 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2dmf h LEU 20 Cb 1.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.81 2dmf h LEU 20 CO 0.01 0.00 -0.42 -0.33 0.09 0.00 0.00 178.44 177.80 2dmf h GLU 21 N 0.00 0.22 0.00 1.13 4.39 -0.71 0.22 114.58 119.83 2dmf h GLU 21 Ca 0.15 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2dmf h GLU 21 Cb 0.95 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2dmf h GLU 21 CO -0.00 1.04 -0.01 0.77 -1.16 0.00 0.00 179.01 179.65 2dmf h SER 22 N -0.46 0.00 0.00 1.42 0.02 -1.07 1.78 113.55 115.24 2dmf h SER 22 Ca -0.06 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 2dmf h SER 22 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 2dmf h SER 22 CO 0.08 0.01 -1.32 -0.38 -1.14 0.00 0.00 176.83 174.08 2dmf n ILE 23 N -3.93 1.50 -1.40 3.27 5.41 -0.84 -4.50 119.36 118.86 2dmf n ILE 23 Ca -0.03 -0.02 -0.27 0.00 1.00 0.00 0.00 62.75 63.44 2dmf n ILE 23 Cb 0.10 -2.16 0.12 0.00 -0.71 0.00 0.00 39.64 36.99 2dmf n ILE 23 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2dmf n TYR 24 N -4.44 2.86 -0.25 1.39 4.01 0.77 -4.76 117.16 116.75 2dmf n TYR 24 Ca -0.28 -2.43 0.25 0.00 -0.16 0.00 0.00 57.90 55.28 2dmf n TYR 24 Cb 0.59 -1.06 0.45 0.00 -0.31 0.00 0.00 39.34 39.02 2dmf n TYR 24 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2dmf n LEU 25 N -0.99 0.27 0.00 7.72 -0.00 0.61 -1.44 117.00 123.17 2dmf n LEU 25 Ca 0.56 1.28 0.00 0.00 -0.00 0.00 0.00 56.01 57.85 2dmf n LEU 25 Cb 1.03 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 2dmf n LEU 25 CO 0.62 -1.43 -0.49 -0.67 -0.00 0.00 0.00 177.39 175.42 2dmf n ASP 26 N -4.75 3.59 -0.04 1.45 2.03 -1.26 -4.67 116.55 112.91 2dmf n ASP 26 Ca 0.29 0.00 0.23 0.00 0.52 0.00 0.00 54.79 55.84 2dmf n ASP 26 Cb 0.99 0.00 0.58 0.00 -0.72 0.00 0.00 41.12 41.97 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 0.00 0.00 -4.16 -0.67 5.08 -1.81 -3.40 114.58 109.63 2dmf h GLU 27 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2dmf h GLU 27 Cb 0.98 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.06 2dmf h GLU 27 CO 0.00 0.00 -0.67 -1.17 -1.00 0.00 0.00 179.01 176.17 2dmf s LEU 28 N -6.79 2.39 -0.00 1.33 0.20 -0.52 -4.58 118.68 110.69 2dmf s LEU 28 Ca -0.03 -0.87 0.07 0.00 0.69 0.00 0.00 54.13 53.98 2dmf s LEU 28 Cb 0.14 0.22 -0.03 0.00 -0.43 0.00 0.00 46.19 46.09 2dmf s LEU 28 CO 0.48 -0.54 -0.21 -1.10 -0.29 0.00 0.00 176.35 174.69 2dmf s GLN 29 N -3.37 2.15 -0.04 1.98 1.11 -1.11 -4.65 119.66 115.74 2dmf s GLN 29 Ca 0.02 -0.91 0.02 0.00 0.01 0.00 0.00 55.36 54.50 2dmf s GLN 29 Cb 0.04 -2.15 0.01 0.00 -1.01 0.00 0.00 33.01 29.91 2dmf s GLN 29 CO -0.08 0.56 -0.07 0.08 0.01 0.00 0.00 175.29 175.79 2dmf s VAL 30 N -0.74 0.70 -0.45 1.09 1.01 -1.26 -1.68 120.40 119.07 2dmf s VAL 30 Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2dmf s VAL 30 Cb -0.10 -0.67 0.12 0.00 0.00 0.00 0.00 36.38 35.73 2dmf s VAL 30 CO 0.01 0.24 0.28 -0.63 0.00 0.00 0.00 175.10 175.00 2dmf s ILE 31 N 0.55 3.63 1.17 2.22 -1.09 0.30 -4.97 121.20 123.02 2dmf s ILE 31 Ca -0.08 -2.07 -0.15 0.00 -2.23 0.00 0.00 60.65 56.11 2dmf s ILE 31 Cb -0.12 -3.44 0.27 0.00 -1.58 0.00 0.00 42.46 37.59 2dmf s ILE 31 CO 0.01 -0.74 1.04 -0.54 -1.23 0.00 0.00 174.94 173.48 2dmf s LYS 32 N 1.08 -0.96 0.06 2.79 1.02 -1.26 -2.64 119.74 119.83 2dmf s LYS 32 Ca 0.08 0.48 -0.12 0.00 0.02 0.00 0.00 55.97 56.44 2dmf s LYS 32 Cb -0.23 -1.58 0.04 0.00 -0.52 0.00 0.00 37.83 35.54 2dmf s LYS 32 CO -0.03 -3.65 0.54 0.41 -0.92 0.00 0.00 175.35 171.70 2dmf n GLY 33 N 0.08 0.82 3.64 -3.33 0.00 -1.26 -4.87 105.19 100.27 2dmf n GLY 33 Ca 0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 2dmf n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dmf s ASN 34 N -2.26 -0.43 0.00 1.61 2.47 -1.26 -5.04 114.94 110.03 2dmf s ASN 34 Ca 0.12 0.83 0.00 0.00 0.42 0.00 0.00 52.86 54.24 2dmf s ASN 34 Cb -0.01 0.85 0.00 0.00 -1.45 0.00 0.00 41.25 40.64 2dmf s ASN 34 CO 0.02 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.87 2dmf n GLY 35 N 2.22 3.20 0.00 1.21 0.00 -1.26 -4.60 105.19 105.95 2dmf n GLY 35 Ca -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.15 0.00 -2.68 1.61 1.74 -1.26 -1.75 116.66 113.17 2dmf n ARG 36 Ca 0.00 0.81 -0.41 0.00 -0.77 0.00 0.00 57.85 57.47 2dmf n ARG 36 Cb 0.00 -1.24 0.02 0.00 -1.02 0.00 0.00 32.46 30.22 2dmf n ARG 36 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2dmf n THR 37 N -2.59 6.04 -2.96 0.55 -1.04 -1.26 -4.76 114.28 108.26 2dmf n THR 37 Ca 0.00 -5.98 -0.30 0.00 -2.04 0.00 0.00 64.05 55.72 2dmf n THR 37 Cb 0.00 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 2dmf n THR 37 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dmf n SER 38 N 0.07 5.01 -4.76 8.00 3.41 -0.72 -5.00 113.62 119.63 2dmf n SER 38 Ca 0.45 -3.64 -0.41 0.00 -0.26 0.00 0.00 58.87 55.01 2dmf n SER 38 Cb 0.27 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 2dmf n SER 38 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2dmf s PRO 39 N -3.46 4.46 0.53 4.33 0.04 -1.26 -4.07 135.00 135.57 2dmf s PRO 39 Ca 0.45 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 2dmf s PRO 39 Cb 0.23 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.60 2dmf s PRO 39 CO -0.11 -0.04 0.91 -1.58 0.04 0.00 0.00 177.00 176.22 2dmf s TRP 40 N -1.07 3.57 -0.12 0.56 0.52 -0.73 -4.88 118.94 116.79 2dmf s TRP 40 Ca 0.48 1.11 -0.00 0.00 0.02 0.00 0.00 56.10 57.71 2dmf s TRP 40 Cb -0.37 -2.55 0.02 0.00 -1.15 0.00 0.00 33.47 29.43 2dmf s TRP 40 CO 0.48 -0.44 -0.09 -2.00 0.02 0.00 0.00 176.95 174.92 2dmf s GLU 41 N -4.73 1.64 -0.07 4.98 2.12 -1.08 -1.13 118.70 120.42 2dmf s GLU 41 Ca 0.52 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.60 2dmf s GLU 41 Cb -0.11 -1.66 -0.00 0.00 0.26 0.00 0.00 34.13 32.62 2dmf s GLU 41 CO 0.45 -0.26 -0.21 0.42 -0.54 0.00 0.00 175.26 175.12 2dmf s ILE 42 N 1.66 1.80 0.32 -3.70 1.01 0.39 -0.54 121.20 122.14 2dmf s ILE 42 Ca 0.05 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.90 2dmf s ILE 42 Cb -0.13 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 2dmf s ILE 42 CO -0.08 0.50 -0.01 -0.31 0.00 0.00 0.00 174.94 175.04 2dmf s TYR 43 N 0.17 2.54 -0.29 3.97 1.51 -0.68 -0.44 117.35 124.13 2dmf s TYR 43 Ca -0.11 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.32 2dmf s TYR 43 Cb -0.15 -1.40 0.15 0.00 -0.11 0.00 0.00 41.96 40.45 2dmf s TYR 43 CO 0.05 0.52 1.17 -1.50 -1.11 0.00 0.00 175.55 174.69 2dmf s ILE 44 N -2.49 0.00 -0.32 2.71 2.07 -1.21 -2.76 121.20 119.20 2dmf s ILE 44 Ca 0.34 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.59 2dmf s ILE 44 Cb -0.01 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.66 2dmf s ILE 44 CO 0.19 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.36 2dmf s THR 45 N 0.29 2.60 0.44 4.00 2.01 -1.26 -0.17 115.64 123.56 2dmf s THR 45 Ca 0.03 -1.90 -0.17 0.00 0.31 0.00 0.00 61.69 59.96 2dmf s THR 45 Cb -0.05 -2.70 -0.09 0.00 0.01 0.00 0.00 72.50 69.67 2dmf s THR 45 CO -0.10 -0.37 0.90 -0.76 -0.69 0.00 0.00 174.62 173.60 2dmf s LEU 46 N 1.07 3.81 -0.02 4.42 1.43 -1.24 -4.98 118.68 123.18 2dmf s LEU 46 Ca 0.02 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.56 2dmf s LEU 46 Cb -0.20 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.65 2dmf s LEU 46 CO -0.05 -0.43 0.11 -1.00 0.23 0.00 0.00 176.35 175.21 2dmf s HIS 47 N -2.36 -0.01 1.10 0.29 3.76 -1.26 -3.95 115.29 112.86 2dmf s HIS 47 Ca 0.58 0.02 -0.15 0.00 -0.15 0.00 0.00 55.06 55.35 2dmf s HIS 47 Cb -0.10 -0.03 0.24 0.00 1.11 0.00 0.00 32.58 33.80 2dmf s HIS 47 CO 0.24 -0.18 1.10 -1.25 -0.85 0.00 0.00 174.74 173.80 2dmf s PRO 48 N -0.78 -0.38 -0.50 8.40 0.04 -1.26 -4.81 135.00 135.70 2dmf s PRO 48 Ca -0.09 0.24 0.03 0.00 0.04 0.00 0.00 61.00 61.23 2dmf s PRO 48 Cb -0.05 -1.67 0.14 0.00 0.04 0.00 0.00 34.50 32.96 2dmf s PRO 48 CO 0.01 -3.21 0.29 0.00 0.04 0.00 0.00 177.00 174.12 2dmf s ALA 49 N -2.98 2.75 1.03 8.56 0.00 -1.26 -4.98 121.76 124.88 2dmf s ALA 49 Ca 0.68 -3.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.51 2dmf s ALA 49 Cb -0.15 -2.01 0.15 0.00 0.00 0.00 0.00 23.12 21.12 2dmf s ALA 49 CO 0.57 -2.05 0.71 2.41 0.00 0.00 0.00 175.76 177.40 2dmf n THR 50 N 3.13 0.00 0.00 0.00 -1.04 -1.26 -4.90 114.28 110.21 2dmf n THR 50 Ca 0.10 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2dmf n THR 50 Cb 0.34 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 2dmf n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dmf n ALA 51 N -4.32 0.00 0.00 2.41 0.00 -1.26 -4.28 120.51 113.06 2dmf n ALA 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2dmf n ALA 51 Cb 0.55 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.40 2dmf n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dmf n GLU 52 N -2.28 2.46 -0.34 0.00 -0.58 -1.26 -4.82 120.64 113.82 2dmf n GLU 52 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2dmf n GLU 52 Cb 0.00 -0.90 -0.08 0.00 -0.57 0.00 0.00 31.44 29.89 2dmf n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dmf n ASP 53 N -1.85 -0.85 -3.35 1.62 2.03 -1.26 -4.66 116.55 108.22 2dmf n ASP 53 Ca 0.00 1.46 -0.25 0.00 0.52 0.00 0.00 54.79 56.52 2dmf n ASP 53 Cb 0.40 -0.20 -0.05 0.00 -0.72 0.00 0.00 41.12 40.56 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 -5.04 -1.09 0.08 -0.67 6.02 -1.26 -4.60 117.38 110.81 2dmf n GLN 54 Ca 0.02 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2dmf n GLN 54 Cb 0.22 -3.34 0.00 0.00 1.02 0.00 0.00 30.24 28.14 2dmf n GLN 54 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2dmf n ASP 55 N -1.44 0.67 -4.76 1.08 2.03 -1.26 -5.03 116.55 107.83 2dmf n ASP 55 Ca 0.07 0.25 -0.39 0.00 0.52 0.00 0.00 54.79 55.24 2dmf n ASP 55 Cb 0.33 -0.09 -0.06 0.00 -0.72 0.00 0.00 41.12 40.58 2dmf n ASP 55 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2dmf s SER 56 N -5.63 7.52 -0.42 1.67 0.01 -1.26 -4.99 113.70 110.60 2dmf s SER 56 Ca 0.00 1.91 0.07 0.00 1.31 0.00 0.00 55.95 59.24 2dmf s SER 56 Cb 0.00 -2.60 0.43 0.00 0.21 0.00 0.00 66.02 64.06 2dmf s SER 56 CO 0.00 0.06 1.09 0.00 0.41 0.00 0.00 173.24 174.81 2dmf n GLN 57 N 1.11 3.16 -0.18 12.44 -0.00 -1.26 -4.93 117.38 127.71 2dmf n GLN 57 Ca -0.00 -4.34 -0.05 0.00 -0.00 0.00 0.00 57.00 52.61 2dmf n GLN 57 Cb 0.48 -2.13 -0.04 0.00 -0.00 0.00 0.00 30.24 28.55 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 -0.44 -0.19 -2.87 2.61 9.36 -1.26 -4.16 117.16 120.21 2dmf n TYR 58 Ca 0.35 0.54 -0.40 0.00 3.32 0.00 0.00 57.90 61.71 2dmf n TYR 58 Cb 0.69 -0.48 -0.05 0.00 -0.63 0.00 0.00 39.34 38.88 2dmf n TYR 58 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2dmf s VAL 59 N -4.36 4.64 0.08 2.97 0.11 -1.26 -4.68 120.40 117.90 2dmf s VAL 59 Ca -0.05 1.82 -0.26 0.00 -2.93 0.00 0.00 61.98 60.57 2dmf s VAL 59 Cb 0.05 -4.21 0.07 0.00 -1.53 0.00 0.00 36.38 30.77 2dmf s VAL 59 CO 0.27 0.34 0.66 0.00 -3.33 0.00 0.00 175.10 173.04 2dmf s PHE 61 N -3.00 -0.88 -0.55 0.00 -0.71 -1.25 -2.61 117.98 108.98 2dmf s PHE 61 Ca -0.02 1.39 -0.28 0.00 -1.04 0.00 0.00 56.93 56.98 2dmf s PHE 61 Cb -0.01 0.27 0.02 0.00 -1.21 0.00 0.00 43.02 42.08 2dmf s PHE 61 CO -0.07 -0.58 1.38 0.99 -1.34 0.00 0.00 175.22 175.61 2dmf s THR 62 N 2.62 3.83 -0.75 -4.49 2.01 -1.17 -3.64 115.64 114.05 2dmf s THR 62 Ca 0.03 0.72 -0.26 0.00 0.31 0.00 0.00 61.69 62.49 2dmf s THR 62 Cb -0.13 -4.47 0.01 0.00 0.01 0.00 0.00 72.50 67.92 2dmf s THR 62 CO -0.14 -1.17 1.53 -0.22 -0.69 0.00 0.00 174.62 173.93 2dmf s LEU 63 N 5.85 3.24 -0.60 4.42 2.96 0.76 -2.17 118.68 133.14 2dmf s LEU 63 Ca 0.51 -0.34 -0.28 0.00 -0.22 0.00 0.00 54.13 53.80 2dmf s LEU 63 Cb -0.10 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2dmf s LEU 63 CO 0.26 -2.04 1.29 -0.69 -1.32 0.00 0.00 176.35 173.85 2dmf s VAL 64 N 7.03 3.87 -0.50 1.68 1.01 0.11 -3.29 120.40 130.32 2dmf s VAL 64 Ca 0.49 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 2dmf s VAL 64 Cb -0.08 -4.65 0.09 0.00 0.00 0.00 0.00 36.38 31.73 2dmf s VAL 64 CO 0.13 -1.37 0.45 -0.76 0.00 0.00 0.00 175.10 173.55 2dmf s LEU 65 N 5.54 5.76 -0.40 3.92 1.43 0.41 -2.44 118.68 132.89 2dmf s LEU 65 Ca 0.45 -1.45 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 2dmf s LEU 65 Cb -0.09 -2.21 0.05 0.00 0.03 0.00 0.00 46.19 43.97 2dmf s LEU 65 CO 0.23 -0.75 0.25 -1.58 0.23 0.00 0.00 176.35 174.74 2dmf s GLN 66 N 1.72 2.76 -0.41 1.70 0.74 -0.58 -0.46 119.66 125.13 2dmf s GLN 66 Ca 0.05 -1.25 -0.25 0.00 0.05 0.00 0.00 55.36 53.95 2dmf s GLN 66 Cb -0.26 -3.80 0.02 0.00 1.10 0.00 0.00 33.01 30.07 2dmf s GLN 66 CO 0.06 -0.83 0.92 0.08 -0.55 0.00 0.00 175.29 174.96 2dmf s VAL 67 N 1.52 4.55 1.12 1.34 1.01 -0.28 0.79 120.40 130.44 2dmf s VAL 67 Ca 0.02 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 62.83 2dmf s VAL 67 Cb -0.21 -4.37 0.25 0.00 0.00 0.00 0.00 36.38 32.05 2dmf s VAL 67 CO 0.05 -0.65 1.10 -2.16 0.00 0.00 0.00 175.10 173.44 2dmf s PRO 68 N 3.57 -0.54 0.39 2.72 0.04 -1.26 -1.77 135.00 138.14 2dmf s PRO 68 Ca 0.37 0.18 0.19 0.00 0.04 0.00 0.00 61.00 61.78 2dmf s PRO 68 Cb -0.11 -1.65 0.74 0.00 0.04 0.00 0.00 34.50 33.51 2dmf s PRO 68 CO 0.22 -3.31 1.76 0.00 0.04 0.00 0.00 177.00 175.71 2dmf h ALA 69 N -2.30 1.04 0.01 8.56 0.00 -1.90 -3.02 119.26 121.65 2dmf h ALA 69 Ca -0.50 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 2dmf h ALA 69 Cb 1.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 2dmf h ALA 69 CO 0.45 0.44 -0.94 0.93 0.00 0.00 0.00 179.25 180.13 2dmf h GLU 70 N 0.00 0.31 -3.78 0.00 5.08 -1.91 -3.47 114.58 110.82 2dmf h GLU 70 Ca -0.00 -0.35 -0.41 0.00 -1.00 0.00 0.00 59.36 57.59 2dmf h GLU 70 Cb 0.84 0.10 0.08 0.00 0.50 0.00 0.00 28.75 30.27 2dmf h GLU 70 CO 0.05 1.05 -0.40 0.98 -1.00 0.00 0.00 179.01 179.68 2dmf n TYR 71 N -3.69 -0.58 0.22 4.33 4.19 -1.14 -1.88 117.16 118.61 2dmf n TYR 71 Ca -0.05 0.55 0.09 0.00 3.31 0.00 0.00 57.90 61.80 2dmf n TYR 71 Cb 0.84 -1.20 0.48 0.00 0.49 0.00 0.00 39.34 39.95 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 0.52 0.00 -0.47 2.98 0.13 -1.88 -3.44 132.00 129.83 2dmf h PRO 72 Ca -0.19 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.07 2dmf h PRO 72 Cb 0.91 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.95 2dmf h PRO 72 CO 0.34 0.25 0.01 0.72 -0.23 0.00 0.00 178.00 179.09 2dmf n HIS 73 N -3.54 0.30 -3.77 1.56 8.25 -0.79 -3.03 115.22 114.21 2dmf n HIS 73 Ca -0.01 0.57 -0.37 0.00 -0.26 0.00 0.00 57.72 57.65 2dmf n HIS 73 Cb 0.40 -0.85 -0.12 0.00 1.12 0.00 0.00 29.99 30.54 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 -5.30 2.48 0.55 -0.41 2.12 -1.25 -4.78 118.70 112.11 2dmf s GLU 74 Ca -0.06 -1.35 -0.18 0.00 0.36 0.00 0.00 54.97 53.74 2dmf s GLU 74 Cb 0.14 -3.47 -0.12 0.00 0.26 0.00 0.00 34.13 30.94 2dmf s GLU 74 CO 0.37 -0.77 0.12 1.33 -0.54 0.00 0.00 175.26 175.77 2dmf n VAL 75 N 4.75 0.90 -2.20 3.70 0.24 -1.17 -3.67 118.33 120.89 2dmf n VAL 75 Ca -0.11 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 2dmf n VAL 75 Cb 0.44 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 2dmf n VAL 75 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2dmf s PRO 76 N -1.49 4.32 -0.23 7.34 0.04 -1.26 -4.64 135.00 139.08 2dmf s PRO 76 Ca 0.61 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.36 2dmf s PRO 76 Cb -0.47 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.63 2dmf s PRO 76 CO 0.62 -0.47 2.14 0.94 0.04 0.00 0.00 177.00 180.27 2dmf n GLN 77 N 4.39 1.74 -3.57 4.56 -0.06 0.24 -4.60 117.38 120.09 2dmf n GLN 77 Ca 0.12 0.52 -0.37 0.00 -2.00 0.00 0.00 57.00 55.27 2dmf n GLN 77 Cb 0.43 -2.85 -0.08 0.00 -4.06 0.00 0.00 30.24 23.67 2dmf n GLN 77 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2dmf s ILE 78 N 7.02 5.31 -0.06 1.69 1.01 -1.25 -1.52 121.20 133.39 2dmf s ILE 78 Ca 1.02 0.39 -0.10 0.00 0.00 0.00 0.00 60.65 61.96 2dmf s ILE 78 Cb -0.59 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.32 2dmf s ILE 78 CO 0.43 0.33 0.24 -0.44 0.00 0.00 0.00 174.94 175.51 2dmf s SER 79 N 0.92 -0.20 -0.19 3.58 0.01 -1.02 -4.98 113.70 111.82 2dmf s SER 79 Ca 0.12 0.31 -0.16 0.00 1.31 0.00 0.00 55.95 57.54 2dmf s SER 79 Cb -0.14 0.43 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 2dmf s SER 79 CO 0.05 -0.20 0.38 -0.63 0.41 0.00 0.00 173.24 173.25 2dmf s ILE 80 N -0.38 5.22 0.12 1.44 -1.09 -1.26 -0.71 121.20 124.54 2dmf s ILE 80 Ca -0.05 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.12 2dmf s ILE 80 Cb -0.03 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2dmf s ILE 80 CO 0.01 0.28 -0.04 -0.60 -1.23 0.00 0.00 174.94 173.36 2dmf s ARG 81 N 1.13 2.34 -1.22 2.79 6.06 -0.92 -4.67 118.95 124.45 2dmf s ARG 81 Ca 0.19 -0.99 -0.09 0.00 -2.50 0.00 0.00 55.73 52.34 2dmf s ARG 81 Cb -0.14 -2.39 0.01 0.00 0.06 0.00 0.00 34.95 32.48 2dmf s ARG 81 CO 0.07 0.50 0.16 0.09 -2.50 0.00 0.00 175.30 173.63 2dmf n ASN 82 N 0.42 -0.41 -4.65 -2.12 5.03 -1.26 -3.07 115.26 109.19 2dmf n ASN 82 Ca -0.11 -1.08 -0.43 0.00 0.87 0.00 0.00 54.58 53.83 2dmf n ASN 82 Cb 0.53 -1.33 -0.03 0.00 -1.02 0.00 0.00 39.78 37.93 2dmf n ASN 82 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2dmf s PRO 83 N -6.81 4.11 -0.05 3.52 0.04 -1.26 -4.69 135.00 129.85 2dmf s PRO 83 Ca 0.12 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2dmf s PRO 83 Cb -0.07 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.55 2dmf s PRO 83 CO 0.83 -0.91 -0.09 0.50 0.04 0.00 0.00 177.00 177.37 2dmf s ARG 84 N 4.04 1.24 0.00 4.56 3.00 -1.07 -4.82 118.95 125.89 2dmf s ARG 84 Ca 0.68 -0.28 0.00 0.00 -1.00 0.00 0.00 55.73 55.13 2dmf s ARG 84 Cb -0.28 -1.10 0.00 0.00 0.00 0.00 0.00 34.95 33.57 2dmf s ARG 84 CO 0.25 0.01 0.00 0.41 0.00 0.00 0.00 175.30 175.97 2dmf n GLY 85 N 3.79 3.05 3.90 8.12 0.00 -1.26 -1.75 105.19 121.03 2dmf n GLY 85 Ca -0.23 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 2dmf n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmf s LEU 86 N 0.00 3.57 0.32 0.99 1.02 -1.26 -4.31 118.68 119.01 2dmf s LEU 86 Ca 0.00 1.05 0.10 0.00 0.02 0.00 0.00 54.13 55.30 2dmf s LEU 86 Cb 0.00 -4.02 -0.06 0.00 0.02 0.00 0.00 46.19 42.14 2dmf s LEU 86 CO 0.00 -0.62 -0.08 -0.94 0.02 0.00 0.00 176.35 174.73 2dmf s SER 87 N -4.03 3.94 0.29 2.29 1.04 -1.26 -4.87 113.70 111.11 2dmf s SER 87 Ca 0.49 -1.03 0.11 0.00 0.48 0.00 0.00 55.95 56.01 2dmf s SER 87 Cb -0.10 -0.45 0.94 0.00 0.10 0.00 0.00 66.02 66.51 2dmf s SER 87 CO 0.45 -0.13 1.34 -0.90 0.98 0.00 0.00 173.24 174.98 2dmf n ASP 88 N -0.82 0.13 0.14 7.02 5.68 -1.26 -0.00 116.55 127.45 2dmf n ASP 88 Ca -0.05 1.42 -0.06 0.00 -0.50 0.00 0.00 54.79 55.61 2dmf n ASP 88 Cb 0.62 -0.62 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2dmf n ASP 88 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2dmf h GLU 89 N 0.00 -0.35 -0.21 0.11 5.08 -2.00 -1.82 114.58 115.40 2dmf h GLU 89 Ca 0.64 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 59.08 2dmf h GLU 89 Cb 1.56 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.82 2dmf h GLU 89 CO -0.71 -0.23 -0.35 1.96 -1.00 0.00 0.00 179.01 178.67 2dmf h GLN 90 N -0.43 -0.37 -0.66 2.33 4.20 -1.39 -1.76 115.11 117.03 2dmf h GLN 90 Ca -0.04 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.83 2dmf h GLN 90 Cb 0.28 0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.02 2dmf h GLN 90 CO 0.06 -0.25 -0.18 0.82 -0.67 0.00 0.00 178.83 178.62 2dmf h ILE 91 N -0.38 0.33 -0.70 2.54 2.04 -0.51 -1.02 117.51 119.79 2dmf h ILE 91 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.08 2dmf h ILE 91 Cb 0.57 0.33 -0.12 0.00 -0.74 0.00 0.00 36.82 36.85 2dmf h ILE 91 CO -0.42 0.00 -0.38 -0.74 0.00 0.00 0.00 178.15 176.61 2dmf h HIS 92 N -0.01 -1.08 -0.61 1.37 2.76 -0.41 0.29 115.15 117.45 2dmf h HIS 92 Ca 0.31 0.08 0.12 0.00 -2.20 0.00 0.00 60.37 58.69 2dmf h HIS 92 Cb 0.49 0.58 -0.12 0.00 1.55 0.00 0.00 27.41 29.91 2dmf h HIS 92 CO -0.54 -0.40 -0.21 1.15 -1.30 0.00 0.00 177.93 176.63 2dmf h THR 93 N -0.13 0.31 -0.29 6.26 2.02 -1.05 -1.27 112.91 118.76 2dmf h THR 93 Ca 0.25 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.46 2dmf h THR 93 Cb 0.56 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 2dmf h THR 93 CO -0.77 0.00 -0.29 0.40 0.37 0.00 0.00 175.52 175.23 2dmf h ILE 94 N -0.05 0.00 0.21 3.11 2.04 -0.83 -0.63 117.51 121.36 2dmf h ILE 94 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2dmf h ILE 94 Cb 0.49 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2dmf h ILE 94 CO -0.65 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 176.96 2dmf h LEU 95 N -0.15 -1.35 -1.18 1.44 3.38 -1.27 0.19 115.31 116.36 2dmf h LEU 95 Ca 0.05 0.13 0.43 0.00 0.09 0.00 0.00 57.88 58.58 2dmf h LEU 95 Cb 0.28 0.48 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 2dmf h LEU 95 CO -0.35 -0.52 0.73 0.00 0.09 0.00 0.00 178.44 178.39 2dmf n GLN 96 N -5.12 -0.04 -0.01 1.13 1.13 -0.53 -0.55 117.38 113.40 2dmf n GLN 96 Ca -0.08 1.21 -0.00 0.00 -1.94 0.00 0.00 57.00 56.19 2dmf n GLN 96 Cb 0.38 -2.32 -0.00 0.00 0.11 0.00 0.00 30.24 28.41 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 -0.80 5.09 2.07 0.16 -2.96 116.25 119.81 2dmf h VAL 97 Ca 0.82 -0.11 0.17 0.00 0.82 0.00 0.00 66.70 68.40 2dmf h VAL 97 Cb 2.49 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 32.11 2dmf h VAL 97 CO -0.52 0.00 -0.16 0.18 0.02 0.00 0.00 177.57 177.09 2dmf n LEU 98 N -2.35 -0.25 -0.12 2.57 4.77 0.54 0.11 117.00 122.28 2dmf n LEU 98 Ca -0.00 1.38 -0.10 0.00 -0.03 0.00 0.00 56.01 57.26 2dmf n LEU 98 Cb 0.00 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.64 2dmf n LEU 98 CO 0.00 -1.34 0.86 1.23 -1.33 0.00 0.00 177.39 176.81 2dmf h GLY 99 N 0.00 0.60 0.23 -0.72 0.00 -0.99 -2.94 103.07 99.24 2dmf h GLY 99 Ca 0.41 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.46 2dmf h GLY 99 CO -0.81 0.34 -0.02 0.84 0.00 0.00 0.00 176.54 176.89 2dmf h HIS 100 N 0.41 -0.07 -0.99 5.60 -0.00 0.98 0.84 115.15 121.93 2dmf h HIS 100 Ca 0.11 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.61 2dmf h HIS 100 Cb 0.29 0.10 -0.07 0.00 -0.00 0.00 0.00 27.41 27.72 2dmf h HIS 100 CO 0.01 -0.12 0.63 0.28 -0.00 0.00 0.00 177.93 178.74 2dmf h VAL 101 N 0.09 1.00 0.37 5.26 2.07 -1.18 0.11 116.25 123.97 2dmf h VAL 101 Ca 0.23 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2dmf h VAL 101 Cb 0.34 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2dmf h VAL 101 CO -0.39 0.19 -0.18 0.00 0.02 0.00 0.00 177.57 177.21 2dmf h ALA 102 N 1.51 -0.49 -0.94 1.67 0.00 -0.96 -2.11 119.26 117.93 2dmf h ALA 102 Ca 0.46 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.32 2dmf h ALA 102 Cb 0.35 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 2dmf h ALA 102 CO -0.21 -0.55 0.60 0.87 0.00 0.00 0.00 179.25 179.95 2dmf h LYS 103 N -0.94 0.79 0.00 0.00 6.56 -0.67 0.32 116.57 122.62 2dmf h LYS 103 Ca -0.05 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 2dmf h LYS 103 Cb 0.53 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.02 2dmf h LYS 103 CO 0.08 0.52 -0.01 0.00 -2.06 0.00 0.00 179.45 177.99 2dmf h ALA 104 N 1.58 1.00 -0.96 3.86 0.00 -0.79 -3.17 119.26 120.78 2dmf h ALA 104 Ca 0.48 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.81 2dmf h ALA 104 Cb 0.65 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.02 2dmf h ALA 104 CO -0.24 0.01 -0.63 0.41 0.00 0.00 0.00 179.25 178.79 2dmf n GLY 105 N 0.24 6.25 3.80 0.00 0.00 0.11 -5.06 105.19 110.53 2dmf n GLY 105 Ca 0.01 -2.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.05 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 -3.61 3.32 0.00 0.99 1.43 -0.83 -3.36 118.68 116.62 2dmf s LEU 106 Ca 0.51 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 2dmf s LEU 106 Cb 0.42 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 42.11 2dmf s LEU 106 CO -0.03 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 175.74 2dmf n GLY 107 N -1.23 2.99 1.68 -3.19 0.00 -1.26 -4.94 105.19 99.25 2dmf n GLY 107 Ca 0.09 0.00 -0.13 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 -2.00 0.00 -2.24 2.61 -2.24 -1.22 -4.83 114.28 104.37 2dmf n THR 108 Ca 0.00 -1.17 -0.42 0.00 -2.27 0.00 0.00 64.05 60.19 2dmf n THR 108 Cb 0.00 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.52 3.53 0.00 6.98 0.00 -1.26 -4.79 121.76 123.70 2dmf s ALA 109 Ca 0.08 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2dmf s ALA 109 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2dmf s ALA 109 CO 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 175.76 175.27 2dmf n MET 110 N 3.57 0.81 -0.01 0.00 3.85 -1.26 -4.83 117.12 119.24 2dmf n MET 110 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 57.70 56.79 2dmf n MET 110 Cb 0.43 -0.63 -0.00 0.00 -1.05 0.00 0.00 33.22 31.97 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 -1.06 -0.03 -0.20 3.17 4.77 -1.26 0.81 117.00 123.21 2dmf n LEU 111 Ca 0.00 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 2dmf n LEU 111 Cb 0.13 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2dmf n LEU 111 CO 0.00 -0.32 0.78 0.22 -1.33 0.00 0.00 177.39 176.73 2dmf h TYR 112 N 0.00 -0.22 -0.95 -1.77 5.03 -1.98 0.18 116.97 117.26 2dmf h TYR 112 Ca 0.01 0.05 0.14 0.00 2.58 0.00 0.00 58.73 61.50 2dmf h TYR 112 Cb 0.01 0.19 -0.08 0.00 1.55 0.00 0.00 36.73 38.40 2dmf h TYR 112 CO -0.56 -0.22 0.60 0.93 -1.32 0.00 0.00 178.16 177.59 2dmf h GLU 113 N 0.04 0.79 -0.22 1.82 5.08 0.08 0.20 114.58 122.38 2dmf h GLU 113 Ca 0.29 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 2dmf h GLU 113 Cb 0.46 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2dmf h GLU 113 CO -0.57 0.52 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.58 2dmf h LEU 114 N 0.82 0.46 0.20 1.33 3.38 0.27 -2.43 115.31 119.34 2dmf h LEU 114 Ca 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dmf h LEU 114 Cb 0.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dmf h LEU 114 CO -0.25 0.76 -0.10 0.40 0.09 0.00 0.00 178.44 179.34 2dmf h ILE 115 N 0.39 0.00 -1.16 1.22 2.04 0.08 -2.61 117.51 117.47 2dmf h ILE 115 Ca 0.05 -0.71 0.33 0.00 1.00 0.00 0.00 64.86 65.53 2dmf h ILE 115 Cb 0.74 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.74 2dmf h ILE 115 CO 0.06 0.00 0.78 1.05 0.00 0.00 0.00 178.15 180.04 2dmf h GLU 116 N -0.98 0.20 0.35 2.37 4.11 -0.79 -0.93 114.58 118.90 2dmf h GLU 116 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 2dmf h GLU 116 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2dmf h GLU 116 CO 0.05 0.13 -0.17 -0.22 0.07 0.00 0.00 179.01 178.87 2dmf h LYS 117 N 0.21 -0.45 -1.61 1.06 1.63 -1.51 -3.16 116.57 112.75 2dmf h LYS 117 Ca 0.64 0.03 0.47 0.00 -0.85 0.00 0.00 60.65 60.93 2dmf h LYS 117 Cb 1.99 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 33.66 2dmf h LYS 117 CO -0.22 -0.15 1.20 0.78 -3.45 0.00 0.00 179.45 177.60 2dmf h GLY 118 N -0.99 0.00 0.89 5.01 0.00 -0.76 0.31 103.07 107.52 2dmf h GLY 118 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 2dmf h GLY 118 CO 0.08 0.00 -0.45 0.50 0.00 0.00 0.00 176.54 176.66 2dmf h LYS 119 N 0.00 -1.13 -0.18 4.80 1.57 -1.44 -2.30 116.57 117.89 2dmf h LYS 119 Ca 0.76 0.08 0.02 0.00 -1.87 0.00 0.00 60.65 59.64 2dmf h LYS 119 Cb 3.15 0.26 -0.02 0.00 0.08 0.00 0.00 32.23 35.69 2dmf h LYS 119 CO -0.01 -0.75 0.03 0.93 -0.57 0.00 0.00 179.45 179.08 2dmf h GLU 120 N -1.17 0.10 -1.14 3.15 4.39 -1.06 0.84 114.58 119.69 2dmf h GLU 120 Ca -0.11 -0.01 0.32 0.00 0.34 0.00 0.00 59.36 59.90 2dmf h GLU 120 Cb 0.93 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.47 2dmf h GLU 120 CO 0.14 0.07 0.76 0.82 -1.16 0.00 0.00 179.01 179.63 2dmf h ILE 121 N 0.10 0.42 0.00 3.13 2.04 -1.41 0.64 117.51 122.44 2dmf h ILE 121 Ca 0.08 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2dmf h ILE 121 Cb 0.07 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 2dmf h ILE 121 CO -0.11 0.04 0.00 -0.11 0.00 0.00 0.00 178.15 177.98 2dmf n LEU 122 N -4.52 0.03 -0.32 1.44 7.94 -0.70 -3.13 117.00 117.74 2dmf n LEU 122 Ca 0.28 0.32 0.32 0.00 -1.11 0.00 0.00 56.01 55.81 2dmf n LEU 122 Cb 1.08 -0.49 0.49 0.00 0.53 0.00 0.00 43.42 45.03 2dmf n LEU 122 CO 0.29 -0.49 1.20 0.35 -1.11 0.00 0.00 177.39 177.63 2dmf n THR 123 N -2.15 0.00 0.07 1.96 -2.24 0.21 0.23 114.28 112.35 2dmf n THR 123 Ca 0.00 1.20 -0.22 0.00 -2.27 0.00 0.00 64.05 62.77 2dmf n THR 123 Cb 0.00 -2.11 -0.15 0.00 -2.10 0.00 0.00 70.33 65.97 2dmf n THR 123 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2dmf h ASP 124 N 0.00 0.55 -1.89 3.42 3.58 -1.02 -3.36 116.42 117.70 2dmf h ASP 124 Ca 0.56 -0.92 -0.72 0.00 0.42 0.00 0.00 57.03 56.37 2dmf h ASP 124 Cb 2.89 -0.18 -0.31 0.00 1.72 0.00 0.00 39.33 43.45 2dmf h ASP 124 CO -0.01 1.54 0.57 0.59 -2.88 0.00 0.00 179.24 179.05 2dmf n ASN 125 N -3.95 6.73 -1.09 2.28 3.02 0.64 -4.74 115.26 118.15 2dmf n ASN 125 Ca -0.18 -3.80 -0.03 0.00 -0.03 0.00 0.00 54.58 50.55 2dmf n ASN 125 Cb 0.92 -0.91 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 2dmf n ASN 125 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2dmf n ASN 126 N -0.50 2.77 -4.37 6.41 6.94 -0.68 -4.80 115.26 121.02 2dmf n ASN 126 Ca 0.49 -2.27 -0.33 0.00 -0.02 0.00 0.00 54.58 52.45 2dmf n ASN 126 Cb 0.35 -0.56 -0.14 0.00 -2.36 0.00 0.00 39.78 37.07 2dmf n ASN 126 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2dmf s ILE 127 N -0.87 3.15 0.86 1.53 -1.09 -1.26 -5.00 121.20 118.52 2dmf s ILE 127 Ca 0.11 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 2dmf s ILE 127 Cb 0.09 -2.34 0.11 0.00 -1.58 0.00 0.00 42.46 38.74 2dmf s ILE 127 CO 0.02 0.51 1.09 -2.16 -1.23 0.00 0.00 174.94 173.18 2dmf s PRO 128 N 0.48 1.52 -0.06 2.79 0.04 -1.26 -4.92 135.00 133.58 2dmf s PRO 128 Ca -0.08 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.57 2dmf s PRO 128 Cb -0.16 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2dmf s PRO 128 CO 0.04 -2.08 1.94 -1.58 0.04 0.00 0.00 177.00 175.36 2dmf s HIS 129 N -2.93 1.44 0.00 0.56 5.65 -1.26 -4.86 115.29 113.89 2dmf s HIS 129 Ca 0.63 -0.04 0.00 0.00 0.25 0.00 0.00 55.06 55.90 2dmf s HIS 129 Cb -0.18 -4.10 0.00 0.00 -1.18 0.00 0.00 32.58 27.12 2dmf s HIS 129 CO 0.57 -4.71 0.00 0.41 -0.65 0.00 0.00 174.74 170.36 2dmf n GLY 130 N 4.77 1.61 3.08 1.59 0.00 -1.26 -5.13 105.19 109.84 2dmf n GLY 130 Ca 0.22 0.43 -0.32 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 2.19 -0.70 1.61 -0.44 -1.26 -5.05 119.66 116.01 2dmf s GLN 131 Ca 0.00 -1.39 -0.01 0.00 -2.50 0.00 0.00 55.36 51.46 2dmf s GLN 131 Cb 0.00 -2.96 0.17 0.00 -1.64 0.00 0.00 33.01 28.58 2dmf s GLN 131 CO 0.00 -0.62 0.52 -1.12 0.50 0.00 0.00 175.29 174.57 2dmf s SER 132 N 1.11 5.29 0.00 6.67 0.01 -1.26 -4.90 113.70 120.62 2dmf s SER 132 Ca -0.07 -3.21 0.00 0.00 1.31 0.00 0.00 55.95 53.98 2dmf s SER 132 Cb -0.20 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dmf s SER 132 CO -0.05 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2dmf n GLY 133 N 2.98 -1.93 0.18 3.44 0.00 -1.26 -5.01 105.19 103.57 2dmf n GLY 133 Ca 0.12 1.01 0.14 0.00 0.00 0.00 0.00 46.02 47.29 2dmf n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmf h PRO 134 N 0.00 0.00 -5.97 1.61 0.13 -2.07 -3.44 132.00 122.26 2dmf h PRO 134 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dmf h PRO 134 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2dmf h PRO 134 CO 0.00 0.00 -0.75 0.45 -0.23 0.00 0.00 178.00 177.47 2dmf s SER 135 N -4.67 3.24 0.24 1.44 0.15 -1.26 -5.15 113.70 107.69 2dmf s SER 135 Ca 0.03 -1.04 -0.01 0.00 0.70 0.00 0.00 55.95 55.63 2dmf s SER 135 Cb 0.09 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 2dmf s SER 135 CO 0.43 -0.05 0.44 -0.55 1.20 0.00 0.00 173.24 174.71 2dmf s SER 136 N -3.45 6.38 0.00 5.45 0.15 -1.26 -5.18 113.70 115.79 2dmf s SER 136 Ca 0.28 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2dmf s SER 136 Cb -0.03 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.25 2dmf s SER 136 CO 0.12 -0.10 0.04 0.61 1.20 0.00 0.00 173.24 175.11