#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cfx s LYS 2 N 0.00 3.39 0.43 2.12 0.00 -1.26 -5.05 119.74 119.38 2cfx s LYS 2 Ca 0.00 -0.14 -0.22 0.00 0.00 0.00 0.00 55.97 55.60 2cfx s LYS 2 Cb 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 37.83 33.77 2cfx s LYS 2 CO 0.00 -1.21 1.02 -0.51 0.00 0.00 0.00 175.35 174.65 2cfx s LEU 3 N 3.44 4.01 0.00 2.77 1.02 -1.26 -5.08 118.68 123.58 2cfx s LEU 3 Ca 0.30 1.92 0.01 0.00 0.02 0.00 0.00 54.13 56.38 2cfx s LEU 3 Cb -0.12 -4.37 -0.00 0.00 0.02 0.00 0.00 46.19 41.71 2cfx s LEU 3 CO 0.22 -0.54 0.03 -0.90 0.02 0.00 0.00 176.35 175.18 2cfx n ASP 4 N -0.45 1.30 -0.25 2.29 5.68 -1.26 -5.05 116.55 118.81 2cfx n ASP 4 Ca 0.07 -1.57 -0.07 0.00 -0.50 0.00 0.00 54.79 52.72 2cfx n ASP 4 Cb 0.51 0.23 0.05 0.00 -1.14 0.00 0.00 41.12 40.77 2cfx n ASP 4 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2cfx h GLN 5 N 0.00 1.03 -0.57 0.11 5.75 -1.99 -2.51 115.11 116.93 2cfx h GLN 5 Ca -0.09 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.17 2cfx h GLN 5 Cb 0.32 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2cfx h GLN 5 CO 0.14 0.85 0.13 0.82 -2.65 0.00 0.00 178.83 178.12 2cfx h ILE 6 N 0.98 1.23 0.00 2.39 2.04 -1.99 -1.14 117.51 121.01 2cfx h ILE 6 Ca 0.23 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.26 2cfx h ILE 6 Cb 0.20 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2cfx h ILE 6 CO -0.02 0.32 -0.19 0.44 0.00 0.00 0.00 178.15 178.70 2cfx h ASP 7 N 0.84 -0.57 -0.96 1.72 3.32 -1.94 -1.11 116.42 117.73 2cfx h ASP 7 Ca 0.18 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.46 2cfx h ASP 7 Cb 0.32 0.24 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 2cfx h ASP 7 CO 0.00 -0.26 0.57 -0.07 -1.72 0.00 0.00 179.24 177.76 2cfx h LEU 8 N -0.31 0.78 -0.49 1.55 3.38 -0.91 -1.79 115.31 117.51 2cfx h LEU 8 Ca 0.06 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2cfx h LEU 8 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2cfx h LEU 8 CO -0.18 0.37 -0.50 0.78 0.09 0.00 0.00 178.44 178.99 2cfx h ASN 9 N 0.84 0.72 0.00 -0.43 2.35 -0.93 -0.36 115.58 117.78 2cfx h ASN 9 Ca 0.51 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 2cfx h ASN 9 Cb 0.63 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 2cfx h ASN 9 CO -0.32 1.10 -0.33 0.40 -1.65 0.00 0.00 177.43 176.63 2cfx h ILE 10 N 0.52 0.28 -0.24 2.81 2.04 -0.74 -1.26 117.51 120.91 2cfx h ILE 10 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2cfx h ILE 10 Cb 1.05 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 2cfx h ILE 10 CO 0.10 0.00 -0.21 0.40 0.00 0.00 0.00 178.15 178.44 2cfx h ILE 11 N -0.49 0.45 -0.73 -0.67 2.04 -1.30 0.12 117.51 116.93 2cfx h ILE 11 Ca 0.06 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.08 2cfx h ILE 11 Cb 0.57 0.45 -0.11 0.00 -0.74 0.00 0.00 36.82 36.99 2cfx h ILE 11 CO -0.27 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 177.71 2cfx h GLU 12 N -0.21 0.24 0.06 2.37 5.08 -0.92 0.40 114.58 121.60 2cfx h GLU 12 Ca 0.14 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.21 2cfx h GLU 12 Cb 0.42 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.64 2cfx h GLU 12 CO -0.37 0.16 -1.13 0.93 -1.00 0.00 0.00 179.01 177.60 2cfx h GLU 13 N 0.25 0.60 -0.19 2.33 4.39 -0.44 -1.76 114.58 119.76 2cfx h GLU 13 Ca 0.41 -0.73 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 2cfx h GLU 13 Cb 0.69 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2cfx h GLU 13 CO -0.52 1.31 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.27 2cfx h LEU 14 N 0.30 0.38 -0.20 1.33 3.38 -0.60 -0.86 115.31 119.04 2cfx h LEU 14 Ca -0.15 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2cfx h LEU 14 Cb 1.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 2cfx h LEU 14 CO 0.21 0.67 0.08 0.11 0.09 0.00 0.00 178.44 179.61 2cfx h LYS 15 N 0.33 0.18 -0.85 1.13 1.57 -0.08 -0.88 116.57 117.98 2cfx h LYS 15 Ca 0.04 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2cfx h LYS 15 Cb 0.70 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.92 2cfx h LYS 15 CO 0.05 0.12 0.55 0.87 -0.57 0.00 0.00 179.45 180.48 2cfx h LYS 16 N 0.19 1.08 -1.25 3.15 1.57 -1.24 -3.41 116.57 116.66 2cfx h LYS 16 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2cfx h LYS 16 Cb 0.03 -0.24 -0.24 0.00 0.08 0.00 0.00 32.23 31.87 2cfx h LYS 16 CO -0.07 0.71 -0.40 0.34 -0.57 0.00 0.00 179.45 179.46 2cfx s ASP 17 N -5.93 -0.92 0.00 0.86 2.15 -0.34 -5.01 116.67 107.48 2cfx s ASP 17 Ca -0.13 0.24 0.26 0.00 0.43 0.00 0.00 52.55 53.35 2cfx s ASP 17 Cb 0.16 1.76 1.51 0.00 -0.30 0.00 0.00 42.92 46.06 2cfx s ASP 17 CO 0.79 -0.30 1.98 -1.54 -0.17 0.00 0.00 175.17 175.93 2cfx n SER 18 N 5.40 0.14 0.22 -0.34 3.41 -0.36 -3.42 113.62 118.67 2cfx n SER 18 Ca 0.02 -1.22 0.13 0.00 -0.26 0.00 0.00 58.87 57.54 2cfx n SER 18 Cb 0.52 -0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.71 2cfx n SER 18 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2cfx h ARG 19 N 0.21 0.00 -6.33 4.33 3.08 -1.94 -3.48 114.38 110.24 2cfx h ARG 19 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2cfx h ARG 19 Cb 0.04 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.16 2cfx h ARG 19 CO 0.00 0.00 0.36 1.28 -1.07 0.00 0.00 179.97 180.54 2cfx n LEU 20 N -3.02 1.68 -4.84 3.04 4.77 -1.22 -5.00 117.00 112.41 2cfx n LEU 20 Ca 0.04 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.85 2cfx n LEU 20 Cb 0.49 -1.22 0.06 0.00 -2.33 0.00 0.00 43.42 40.42 2cfx n LEU 20 CO 0.33 -1.15 0.72 -0.94 -1.33 0.00 0.00 177.39 175.02 2cfx s SER 21 N 0.21 5.24 0.51 -1.43 1.04 -1.26 -4.83 113.70 113.18 2cfx s SER 21 Ca 0.77 1.36 0.16 0.00 0.48 0.00 0.00 55.95 58.72 2cfx s SER 21 Cb -0.87 -2.20 1.23 0.00 0.10 0.00 0.00 66.02 64.28 2cfx s SER 21 CO 0.50 -1.50 2.13 0.24 0.98 0.00 0.00 173.24 175.59 2cfx h MET 22 N -0.76 0.06 0.02 4.02 0.00 -1.96 -1.59 114.93 114.71 2cfx h MET 22 Ca -0.45 -0.00 -0.09 0.00 0.00 0.00 0.00 59.70 59.16 2cfx h MET 22 Cb 1.24 -0.01 0.01 0.00 0.00 0.00 0.00 31.60 32.83 2cfx h MET 22 CO 0.60 0.04 -0.35 0.00 0.00 0.00 0.00 176.91 177.20 2cfx h ARG 23 N 0.06 0.21 -0.71 1.72 -0.00 -1.92 0.01 114.38 113.74 2cfx h ARG 23 Ca 0.03 -0.25 0.08 0.00 -0.50 0.00 0.00 59.98 59.34 2cfx h ARG 23 Cb 0.06 0.08 -0.05 0.00 0.00 0.00 0.00 29.97 30.06 2cfx h ARG 23 CO -0.00 1.00 0.47 0.93 0.00 0.00 0.00 179.97 182.36 2cfx h GLU 24 N -0.47 0.66 -0.10 0.04 5.08 -1.89 -2.11 114.58 115.79 2cfx h GLU 24 Ca -0.05 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2cfx h GLU 24 Cb 1.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2cfx h GLU 24 CO 0.07 0.44 -0.37 1.25 -1.00 0.00 0.00 179.01 179.39 2cfx h LEU 25 N 0.68 0.50 -1.23 1.33 5.85 -1.29 -2.31 115.31 118.83 2cfx h LEU 25 Ca 0.32 -0.62 0.16 0.00 0.84 0.00 0.00 57.88 58.57 2cfx h LEU 25 Cb 0.35 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.16 2cfx h LEU 25 CO -0.11 1.04 0.59 1.23 -0.34 0.00 0.00 178.44 180.85 2cfx h GLY 26 N -0.02 1.32 1.79 3.75 0.00 -0.95 -0.87 103.07 108.10 2cfx h GLY 26 Ca -0.02 -0.31 -0.13 0.00 0.00 0.00 0.00 47.33 46.87 2cfx h GLY 26 CO 0.08 0.06 -0.53 -0.09 0.00 0.00 0.00 176.54 176.06 2cfx h ARG 27 N 0.70 0.22 -0.05 4.80 2.43 -1.32 0.20 114.38 121.36 2cfx h ARG 27 Ca 0.48 -0.13 -0.16 0.00 -0.81 0.00 0.00 59.98 59.36 2cfx h ARG 27 Cb 0.80 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2cfx h ARG 27 CO -0.24 0.70 -0.61 0.87 -1.51 0.00 0.00 179.97 179.18 2cfx h LYS 28 N 0.17 0.50 -0.01 0.20 1.57 -0.83 -3.36 116.57 114.81 2cfx h LYS 28 Ca 0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2cfx h LYS 28 Cb 0.99 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2cfx h LYS 28 CO 0.08 1.11 -0.64 0.44 -0.57 0.00 0.00 179.45 179.87 2cfx n ILE 29 N -4.18 0.00 -1.86 1.86 -6.64 -0.38 -5.01 119.36 103.14 2cfx n ILE 29 Ca -0.09 -0.14 -0.02 0.00 -1.77 0.00 0.00 62.75 60.72 2cfx n ILE 29 Cb 0.67 1.02 0.01 0.00 -1.44 0.00 0.00 39.64 39.89 2cfx n ILE 29 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2cfx n LYS 30 N -0.70 -0.43 -3.79 6.28 4.76 0.59 -5.05 118.16 119.82 2cfx n LYS 30 Ca 0.07 0.32 -0.13 0.00 -2.87 0.00 0.00 58.31 55.71 2cfx n LYS 30 Cb 0.40 -2.42 -0.10 0.00 -1.84 0.00 0.00 35.03 31.07 2cfx n LYS 30 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2cfx s LEU 31 N -3.24 1.04 0.85 -0.35 1.43 -0.61 -5.05 118.68 112.75 2cfx s LEU 31 Ca 0.07 0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 2cfx s LEU 31 Cb -0.01 1.02 0.10 0.00 0.03 0.00 0.00 46.19 47.33 2cfx s LEU 31 CO 0.16 -0.30 1.09 -0.94 0.23 0.00 0.00 176.35 176.59 2cfx s SER 32 N -0.81 3.91 0.09 2.29 1.04 -1.26 -4.46 113.70 114.50 2cfx s SER 32 Ca -0.09 1.47 -0.24 0.00 0.48 0.00 0.00 55.95 57.57 2cfx s SER 32 Cb -0.05 -2.17 -0.14 0.00 0.10 0.00 0.00 66.02 63.77 2cfx s SER 32 CO 0.02 -2.36 1.72 -0.65 0.98 0.00 0.00 173.24 172.95 2cfx h PRO 33 N -1.36 -0.10 -0.01 4.02 0.11 -1.95 -2.02 132.00 130.70 2cfx h PRO 33 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2cfx h PRO 33 Cb 1.27 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2cfx h PRO 33 CO 0.56 -0.06 0.01 -1.00 -0.21 0.00 0.00 178.00 177.29 2cfx h PRO 34 N -0.10 0.00 -0.13 1.05 0.13 -1.96 0.13 132.00 131.12 2cfx h PRO 34 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 2cfx h PRO 34 Cb 0.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 2cfx h PRO 34 CO -0.02 0.00 -0.11 0.77 -0.23 0.00 0.00 178.00 178.41 2cfx h SER 35 N 0.00 0.31 -0.21 1.44 0.02 -1.75 -2.50 113.55 110.87 2cfx h SER 35 Ca 0.00 -0.47 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2cfx h SER 35 Cb 0.02 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2cfx h SER 35 CO -0.00 0.72 -0.04 0.58 -1.14 0.00 0.00 176.83 176.95 2cfx h VAL 36 N -0.08 1.28 -0.77 2.27 2.07 -1.11 -1.43 116.25 118.47 2cfx h VAL 36 Ca 0.02 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2cfx h VAL 36 Cb 0.62 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 2cfx h VAL 36 CO 0.03 0.31 0.36 0.71 0.02 0.00 0.00 177.57 178.99 2cfx h THR 37 N 0.14 1.24 0.00 2.57 1.35 -0.83 -0.72 112.91 116.67 2cfx h THR 37 Ca 0.06 -0.70 -0.07 0.00 -0.55 0.00 0.00 66.41 65.15 2cfx h THR 37 Cb 0.48 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 2cfx h THR 37 CO 0.02 0.29 -0.31 -0.08 -0.25 0.00 0.00 175.52 175.19 2cfx h GLU 38 N 1.10 0.00 0.11 4.72 4.57 -1.36 -1.22 114.58 122.49 2cfx h GLU 38 Ca 0.26 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.19 2cfx h GLU 38 Cb 0.13 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2cfx h GLU 38 CO -0.03 0.31 -1.05 0.00 -1.18 0.00 0.00 179.01 177.06 2cfx h ARG 39 N 0.00 0.51 -0.61 1.92 3.08 -0.47 -2.90 114.38 115.91 2cfx h ARG 39 Ca -0.00 -0.70 -0.00 0.00 0.07 0.00 0.00 59.98 59.35 2cfx h ARG 39 Cb 0.71 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 2cfx h ARG 39 CO 0.04 1.30 0.38 0.28 -1.07 0.00 0.00 179.97 180.91 2cfx h VAL 40 N 0.06 1.18 -0.58 2.04 2.07 -1.10 -0.73 116.25 119.19 2cfx h VAL 40 Ca -0.16 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.10 2cfx h VAL 40 Cb 1.76 0.32 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 2cfx h VAL 40 CO 0.20 0.18 -0.17 0.03 0.02 0.00 0.00 177.57 177.83 2cfx h ARG 41 N 0.83 -0.03 -0.11 1.57 -0.00 -1.29 -1.12 114.38 114.24 2cfx h ARG 41 Ca 0.22 0.00 -0.18 0.00 -0.50 0.00 0.00 59.98 59.52 2cfx h ARG 41 Cb -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 29.97 29.93 2cfx h ARG 41 CO -0.04 -0.02 -0.69 1.96 0.00 0.00 0.00 179.97 181.18 2cfx h GLN 42 N -0.03 0.47 -0.80 0.04 1.08 -1.29 -0.44 115.11 114.14 2cfx h GLN 42 Ca 0.28 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 2cfx h GLN 42 Cb 0.45 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 2cfx h GLN 42 CO -0.61 0.99 0.39 -0.07 -0.95 0.00 0.00 178.83 178.58 2cfx h LEU 43 N 0.34 1.04 -0.03 1.46 3.38 -0.83 -1.77 115.31 118.89 2cfx h LEU 43 Ca -0.02 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 2cfx h LEU 43 Cb 1.26 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2cfx h LEU 43 CO 0.12 0.87 -1.04 1.05 0.09 0.00 0.00 178.44 179.54 2cfx h GLU 44 N 1.14 0.10 0.23 1.13 4.11 -1.04 -0.76 114.58 119.49 2cfx h GLU 44 Ca 0.28 -0.16 -0.30 0.00 0.07 0.00 0.00 59.36 59.24 2cfx h GLU 44 Cb 0.11 0.06 0.04 0.00 0.50 0.00 0.00 28.75 29.45 2cfx h GLU 44 CO -0.04 1.04 -1.33 0.66 0.07 0.00 0.00 179.01 179.42 2cfx h SER 45 N 0.04 0.76 0.17 3.06 4.64 -0.95 -2.91 113.55 118.35 2cfx h SER 45 Ca -0.05 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.34 2cfx h SER 45 Cb 1.77 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 2cfx h SER 45 CO 0.15 1.64 0.00 0.49 -0.87 0.00 0.00 176.83 178.24 2cfx n PHE 46 N -3.82 0.00 -0.92 4.77 3.01 -0.68 -4.91 117.46 114.92 2cfx n PHE 46 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 2cfx n PHE 46 Cb 1.04 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 40.36 2cfx n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2cfx n GLY 47 N 0.10 0.48 0.15 1.37 0.00 -1.06 -4.93 105.19 101.30 2cfx n GLY 47 Ca 0.10 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2cfx n GLY 47 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2cfx h ILE 48 N 0.00 1.20 -3.71 -0.61 5.03 -1.40 -3.39 117.51 114.62 2cfx h ILE 48 Ca 0.00 -0.63 -0.64 0.00 -0.12 0.00 0.00 64.86 63.47 2cfx h ILE 48 Cb 0.00 1.07 -0.16 0.00 -3.03 0.00 0.00 36.82 34.70 2cfx h ILE 48 CO 0.00 0.21 -0.28 -0.63 -0.68 0.00 0.00 178.15 176.77 2cfx s ILE 49 N -5.42 5.18 -0.11 -0.67 1.01 -1.07 -4.94 121.20 115.18 2cfx s ILE 49 Ca -0.13 0.30 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 2cfx s ILE 49 Cb 0.08 -3.74 -0.26 0.00 0.01 0.00 0.00 42.46 38.55 2cfx s ILE 49 CO 0.73 0.05 0.40 0.29 0.00 0.00 0.00 174.94 176.42 2cfx n LYS 50 N 5.34 0.76 -3.58 2.79 5.02 -1.26 -4.65 118.16 122.57 2cfx n LYS 50 Ca -0.09 0.27 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 2cfx n LYS 50 Cb 0.50 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 2cfx n LYS 50 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2cfx s GLN 51 N -2.56 0.59 -0.32 1.97 0.74 -1.26 -5.12 119.66 113.69 2cfx s GLN 51 Ca -0.21 0.16 -0.17 0.00 0.05 0.00 0.00 55.36 55.19 2cfx s GLN 51 Cb 0.07 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.44 2cfx s GLN 51 CO 0.78 -0.18 0.45 0.71 -0.55 0.00 0.00 175.29 176.50 2cfx s TYR 52 N -1.07 3.21 0.00 1.67 1.51 -1.26 -5.01 117.35 116.40 2cfx s TYR 52 Ca -0.02 0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 2cfx s TYR 52 Cb -0.01 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 39.08 2cfx s TYR 52 CO 0.01 -0.42 0.00 -2.37 -1.11 0.00 0.00 175.55 171.67 2cfx n THR 53 N 5.29 0.00 -3.54 -0.71 5.66 -1.26 -5.16 114.28 114.56 2cfx n THR 53 Ca -0.06 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 2cfx n THR 53 Cb 0.49 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.22 2cfx n THR 53 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2cfx s LEU 54 N 0.00 -0.32 -0.05 1.09 2.96 -1.26 -4.94 118.68 116.16 2cfx s LEU 54 Ca 0.00 0.37 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 2cfx s LEU 54 Cb 0.00 2.30 0.00 0.00 0.50 0.00 0.00 46.19 49.00 2cfx s LEU 54 CO 0.00 -0.69 -0.14 -0.70 -1.32 0.00 0.00 176.35 173.50 2cfx s GLU 55 N -2.03 1.59 0.02 1.98 2.12 -1.26 -5.14 118.70 115.99 2cfx s GLU 55 Ca -0.07 -0.47 0.08 0.00 0.36 0.00 0.00 54.97 54.87 2cfx s GLU 55 Cb -0.01 -1.36 -0.02 0.00 0.26 0.00 0.00 34.13 32.99 2cfx s GLU 55 CO 0.02 0.13 -0.23 0.08 -0.54 0.00 0.00 175.26 174.71 2cfx s VAL 56 N 0.33 1.88 -0.52 3.70 1.01 -1.26 -5.09 120.40 120.45 2cfx s VAL 56 Ca -0.08 -1.17 -0.29 0.00 0.00 0.00 0.00 61.98 60.44 2cfx s VAL 56 Cb -0.13 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.68 2cfx s VAL 56 CO 0.03 0.38 1.23 -0.62 0.00 0.00 0.00 175.10 176.12 2cfx s ASP 57 N -0.94 6.46 0.16 3.32 -1.08 -1.26 -4.87 116.67 118.46 2cfx s ASP 57 Ca 0.09 0.36 -0.08 0.00 -0.52 0.00 0.00 52.55 52.40 2cfx s ASP 57 Cb -0.09 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.83 2cfx s ASP 57 CO 0.01 -1.42 1.48 1.56 0.52 0.00 0.00 175.17 177.32 2cfx h GLN 58 N 9.79 0.82 -0.96 4.34 1.08 -1.97 -1.75 115.11 126.45 2cfx h GLN 58 Ca -0.25 -0.46 0.10 0.00 -1.45 0.00 0.00 58.65 56.59 2cfx h GLN 58 Cb 1.07 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.45 2cfx h GLN 58 CO 1.15 1.09 0.62 -0.22 -0.95 0.00 0.00 178.83 180.52 2cfx h LYS 59 N 0.66 0.97 0.00 1.46 3.64 -1.89 0.86 116.57 122.27 2cfx h LYS 59 Ca 0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2cfx h LYS 59 Cb 1.02 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2cfx h LYS 59 CO 0.10 0.64 0.00 0.87 -2.27 0.00 0.00 179.45 178.79 2cfx h LYS 60 N 1.00 0.00 -0.34 1.90 1.57 -1.73 -0.47 116.57 118.51 2cfx h LYS 60 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2cfx h LYS 60 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2cfx h LYS 60 CO -0.21 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 179.95 2cfx n LEU 61 N -2.96 2.00 0.00 2.94 4.77 -0.73 -4.94 117.00 118.08 2cfx n LEU 61 Ca 0.02 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2cfx n LEU 61 Cb 0.40 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2cfx n LEU 61 CO 0.30 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2cfx n GLY 62 N 1.12 0.40 2.59 -0.72 0.00 -0.18 -4.98 105.19 103.43 2cfx n GLY 62 Ca 0.14 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2cfx n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cfx n LEU 63 N 0.00 4.10 0.08 0.99 4.77 0.23 -4.17 117.00 123.01 2cfx n LEU 63 Ca 0.00 -5.51 0.13 0.00 -0.03 0.00 0.00 56.01 50.59 2cfx n LEU 63 Cb 0.00 -0.66 0.46 0.00 -2.33 0.00 0.00 43.42 40.89 2cfx n LEU 63 CO 0.00 2.14 0.88 -0.81 -1.33 0.00 0.00 177.39 178.27 2cfx n PRO 64 N 0.53 0.18 -3.92 3.23 -0.04 -0.98 -3.60 135.00 130.40 2cfx n PRO 64 Ca 0.30 0.22 -0.36 0.00 -0.04 0.00 0.00 63.50 63.63 2cfx n PRO 64 Cb 0.40 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 2cfx n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cfx s VAL 65 N -3.12 5.24 -0.01 0.52 1.01 -0.81 -4.87 120.40 118.37 2cfx s VAL 65 Ca 0.10 0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2cfx s VAL 65 Cb 0.13 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 2cfx s VAL 65 CO 0.52 0.55 -0.13 -0.44 0.00 0.00 0.00 175.10 175.60 2cfx s SER 66 N -0.48 1.47 0.05 3.32 0.01 -1.26 0.11 113.70 116.92 2cfx s SER 66 Ca 0.11 -0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2cfx s SER 66 Cb -0.12 -0.16 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 2cfx s SER 66 CO 0.02 0.14 -0.06 0.00 0.41 0.00 0.00 173.24 173.75 2cfx s ILE 68 N -1.91 5.41 -0.08 0.00 -1.09 0.98 -1.88 121.20 122.63 2cfx s ILE 68 Ca -0.07 0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.68 2cfx s ILE 68 Cb -0.06 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2cfx s ILE 68 CO -0.01 0.51 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.31 2cfx s VAL 69 N -0.28 1.77 -0.17 2.92 1.01 0.92 -0.09 120.40 126.48 2cfx s VAL 69 Ca 0.13 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2cfx s VAL 69 Cb -0.12 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2cfx s VAL 69 CO 0.02 0.50 0.23 -1.61 0.00 0.00 0.00 175.10 174.23 2cfx s GLU 70 N 0.26 4.18 -0.06 2.72 2.02 0.13 -0.93 118.70 127.02 2cfx s GLU 70 Ca -0.13 -0.03 0.05 0.00 0.02 0.00 0.00 54.97 54.89 2cfx s GLU 70 Cb -0.16 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 2cfx s GLU 70 CO 0.06 0.30 -0.23 0.00 0.02 0.00 0.00 175.26 175.40 2cfx s ALA 71 N 0.32 2.04 -0.23 5.21 0.00 -0.22 -1.24 121.76 127.64 2cfx s ALA 71 Ca 0.13 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2cfx s ALA 71 Cb -0.12 -0.67 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2cfx s ALA 71 CO 0.02 0.37 -0.04 -0.08 0.00 0.00 0.00 175.76 176.03 2cfx s THR 72 N -0.03 1.40 0.43 0.00 -1.32 0.22 0.68 115.64 117.03 2cfx s THR 72 Ca -0.06 -1.14 -0.24 0.00 -1.21 0.00 0.00 61.69 59.03 2cfx s THR 72 Cb -0.14 -1.70 -0.10 0.00 -1.51 0.00 0.00 72.50 69.05 2cfx s THR 72 CO 0.04 -0.12 1.09 0.52 -2.21 0.00 0.00 174.62 173.94 2cfx n VAL 73 N 4.72 2.60 -4.06 5.08 0.31 -1.26 -0.42 118.33 125.30 2cfx n VAL 73 Ca -0.11 -0.50 -0.28 0.00 -0.01 0.00 0.00 64.34 63.43 2cfx n VAL 73 Cb 0.44 -1.29 -0.06 0.00 -0.91 0.00 0.00 33.84 32.03 2cfx n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2cfx s LYS 74 N -2.14 2.90 -1.78 5.55 1.02 -0.24 -4.42 119.74 120.63 2cfx s LYS 74 Ca 0.64 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2cfx s LYS 74 Cb -0.53 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 2cfx s LYS 74 CO 0.56 0.52 0.00 0.09 -0.92 0.00 0.00 175.35 175.61 2cfx n ASN 75 N 0.04 -5.26 -2.29 2.83 3.02 -1.26 -1.85 115.26 110.49 2cfx n ASN 75 Ca -0.08 0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.48 2cfx n ASN 75 Cb 0.53 -4.51 -0.01 0.00 -0.61 0.00 0.00 39.78 35.18 2cfx n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cfx n ALA 76 N -0.74 -0.60 -3.75 5.41 0.00 -1.26 -4.90 120.51 114.67 2cfx n ALA 76 Ca -0.21 0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 2cfx n ALA 76 Cb 0.65 -2.16 -0.11 0.00 0.00 0.00 0.00 19.45 17.84 2cfx n ALA 76 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cfx s ASP 77 N -2.11 5.20 0.01 0.00 -1.08 -0.77 -4.87 116.67 113.05 2cfx s ASP 77 Ca 0.01 -2.51 -0.07 0.00 -0.52 0.00 0.00 52.55 49.46 2cfx s ASP 77 Cb -0.00 -1.83 -0.30 0.00 -1.46 0.00 0.00 42.92 39.33 2cfx s ASP 77 CO 0.01 -0.44 0.87 1.88 0.52 0.00 0.00 175.17 178.01 2cfx h TYR 78 N 7.44 0.60 -0.54 -5.34 -1.99 -1.90 -3.02 116.97 112.22 2cfx h TYR 78 Ca -0.07 -0.44 -0.04 0.00 2.00 0.00 0.00 58.73 60.19 2cfx h TYR 78 Cb 0.99 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 2cfx h TYR 78 CO 0.63 1.46 0.18 0.93 -0.00 0.00 0.00 178.16 181.36 2cfx h GLU 79 N 0.09 0.83 0.00 4.88 4.39 -1.99 -1.33 114.58 121.45 2cfx h GLU 79 Ca -0.25 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.20 2cfx h GLU 79 Cb 2.05 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 30.57 2cfx h GLU 79 CO 0.19 0.75 -0.36 0.07 -1.16 0.00 0.00 179.01 178.50 2cfx h ARG 80 N 0.74 0.00 -0.01 2.33 0.11 -1.98 -1.52 114.38 114.05 2cfx h ARG 80 Ca 0.17 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.25 2cfx h ARG 80 Cb 0.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.34 2cfx h ARG 80 CO -0.01 0.36 0.00 0.35 0.10 0.00 0.00 179.97 180.78 2cfx h PHE 81 N 0.00 0.01 -0.94 4.08 3.57 -1.50 -2.21 116.94 119.95 2cfx h PHE 81 Ca -0.00 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 2cfx h PHE 81 Cb 1.20 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 2cfx h PHE 81 CO 0.00 0.24 0.62 -0.22 -2.23 0.00 0.00 178.31 176.71 2cfx h LYS 82 N -0.22 1.18 -0.56 1.11 3.64 -1.08 -0.72 116.57 119.93 2cfx h LYS 82 Ca 0.00 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 2cfx h LYS 82 Cb 0.23 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2cfx h LYS 82 CO 0.00 0.78 0.02 0.77 -2.27 0.00 0.00 179.45 178.75 2cfx h SER 83 N 1.21 0.94 0.55 4.20 0.02 -1.33 -1.06 113.55 118.08 2cfx h SER 83 Ca 0.37 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2cfx h SER 83 Cb -0.04 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 2cfx h SER 83 CO -0.11 1.00 -0.45 0.22 -1.14 0.00 0.00 176.83 176.35 2cfx h TYR 84 N 0.85 -1.24 -0.96 3.45 3.20 -1.00 -2.55 116.97 118.72 2cfx h TYR 84 Ca 0.16 0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.29 2cfx h TYR 84 Cb 0.51 0.47 -0.13 0.00 1.54 0.00 0.00 36.73 39.11 2cfx h TYR 84 CO 0.04 -0.63 0.50 0.82 -1.64 0.00 0.00 178.16 177.25 2cfx h ILE 85 N -0.98 0.44 0.00 1.81 1.08 -1.15 -1.58 117.51 117.13 2cfx h ILE 85 Ca -0.07 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 2cfx h ILE 85 Cb 0.82 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2cfx h ILE 85 CO -0.00 0.08 0.00 1.56 -0.69 0.00 0.00 178.15 179.10 2cfx h GLN 86 N 0.43 0.00 -0.00 2.37 4.20 -0.77 -2.81 115.11 118.53 2cfx h GLN 86 Ca 0.64 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.35 2cfx h GLN 86 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2cfx h GLN 86 CO -0.54 0.00 -0.10 0.25 -0.67 0.00 0.00 178.83 177.77 2cfx n THR 87 N -2.35 0.00 -4.06 -0.54 -2.24 -0.60 -4.94 114.28 99.56 2cfx n THR 87 Ca 0.02 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 2cfx n THR 87 Cb 0.23 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2cfx n THR 87 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2cfx s LEU 88 N -2.62 3.97 0.49 3.22 1.43 -1.06 -5.11 118.68 119.00 2cfx s LEU 88 Ca 0.25 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2cfx s LEU 88 Cb 0.20 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2cfx s LEU 88 CO 0.50 0.25 0.81 -2.16 0.23 0.00 0.00 176.35 175.98 2cfx s PRO 89 N -1.91 3.53 -0.38 1.29 0.04 -1.26 -4.48 135.00 131.84 2cfx s PRO 89 Ca 0.25 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2cfx s PRO 89 Cb -0.12 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.07 2cfx s PRO 89 CO 0.17 -0.24 0.00 0.09 0.04 0.00 0.00 177.00 177.05 2cfx n ASN 90 N -2.30 -4.06 -4.51 6.66 3.02 -1.26 -4.94 115.26 107.86 2cfx n ASN 90 Ca 0.01 0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 2cfx n ASN 90 Cb 0.55 -1.87 -0.04 0.00 -0.61 0.00 0.00 39.78 37.81 2cfx n ASN 90 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2cfx s ILE 91 N -1.92 4.39 0.03 2.41 -1.09 -1.26 -1.28 121.20 122.47 2cfx s ILE 91 Ca 0.00 0.17 -0.22 0.00 -2.23 0.00 0.00 60.65 58.38 2cfx s ILE 91 Cb 0.00 -4.55 -0.15 0.00 -1.58 0.00 0.00 42.46 36.17 2cfx s ILE 91 CO 0.00 -1.16 1.34 -0.08 -1.23 0.00 0.00 174.94 173.82 2cfx h GLU 92 N 9.34 0.27 -4.02 2.79 4.81 -1.32 -3.47 114.58 122.97 2cfx h GLU 92 Ca -0.27 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 58.71 2cfx h GLU 92 Cb 1.07 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.32 2cfx h GLU 92 CO 1.10 0.66 -0.46 -0.59 -0.73 0.00 0.00 179.01 178.99 2cfx s PHE 93 N -4.36 0.43 -0.21 0.92 -0.12 -1.24 -4.97 117.98 108.42 2cfx s PHE 93 Ca -0.15 -0.85 -0.04 0.00 -0.05 0.00 0.00 56.93 55.85 2cfx s PHE 93 Cb 0.04 -0.19 0.09 0.00 -0.63 0.00 0.00 43.02 42.34 2cfx s PHE 93 CO 0.73 -0.57 0.21 0.00 -0.05 0.00 0.00 175.22 175.53 2cfx s TYR 95 N 2.29 3.28 -0.26 0.00 1.51 0.23 -4.94 117.35 119.46 2cfx s TYR 95 Ca 0.07 0.19 -0.27 0.00 -1.01 0.00 0.00 57.07 56.04 2cfx s TYR 95 Cb -0.16 -1.94 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 2cfx s TYR 95 CO -0.15 0.38 0.98 0.50 -1.11 0.00 0.00 175.55 176.15 2cfx s ARG 96 N -0.39 4.17 0.33 -0.62 6.06 -1.26 -1.29 118.95 125.96 2cfx s ARG 96 Ca 0.09 1.14 0.08 0.00 -2.50 0.00 0.00 55.73 54.53 2cfx s ARG 96 Cb -0.12 -3.67 -0.06 0.00 0.06 0.00 0.00 34.95 31.16 2cfx s ARG 96 CO 0.02 -0.67 -0.05 0.96 -2.50 0.00 0.00 175.30 173.06 2cfx s ILE 97 N 3.19 1.91 -0.38 4.11 -4.36 0.05 -4.97 121.20 120.75 2cfx s ILE 97 Ca 0.41 -2.13 -0.13 0.00 -0.26 0.00 0.00 60.65 58.55 2cfx s ILE 97 Cb -0.14 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2cfx s ILE 97 CO 0.09 -0.18 0.24 0.00 0.24 0.00 0.00 174.94 175.32 2cfx s ALA 98 N -2.82 3.38 0.00 2.27 0.00 -1.26 -4.64 121.76 118.69 2cfx s ALA 98 Ca 0.32 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2cfx s ALA 98 Cb 0.05 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.48 2cfx s ALA 98 CO 0.15 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2cfx n GLY 99 N 5.07 -0.73 0.09 0.00 0.00 -1.26 -4.97 105.19 103.39 2cfx n GLY 99 Ca -0.12 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 2cfx n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cfx n ALA 100 N 0.00 1.66 -1.96 4.61 0.00 -1.26 -4.83 120.51 118.74 2cfx n ALA 100 Ca 0.00 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.45 2cfx n ALA 100 Cb 0.00 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 18.71 2cfx n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cfx s ALA 101 N -2.71 3.53 -0.22 0.00 0.00 -1.26 -4.97 121.76 116.13 2cfx s ALA 101 Ca -0.05 -1.22 0.09 0.00 0.00 0.00 0.00 51.96 50.79 2cfx s ALA 101 Cb 0.08 -2.30 -0.20 0.00 0.00 0.00 0.00 23.12 20.70 2cfx s ALA 101 CO 0.82 -1.11 -0.08 0.00 0.00 0.00 0.00 175.76 175.39 2cfx s TYR 103 N -2.48 0.17 -0.14 0.00 1.51 -0.65 -0.77 117.35 114.99 2cfx s TYR 103 Ca -0.22 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 2cfx s TYR 103 Cb 0.07 -0.13 0.01 0.00 -0.11 0.00 0.00 41.96 41.80 2cfx s TYR 103 CO 0.68 -0.19 -0.19 -1.64 -1.11 0.00 0.00 175.55 173.10 2cfx s MET 104 N -1.25 2.72 0.24 -0.62 -1.94 -0.41 -1.05 119.30 116.98 2cfx s MET 104 Ca -0.14 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.16 2cfx s MET 104 Cb -0.08 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.43 2cfx s MET 104 CO -0.00 -0.09 -0.06 -0.48 -0.01 0.00 0.00 175.02 174.38 2cfx s LEU 105 N 1.02 2.41 -0.11 -0.03 0.05 -0.11 -0.60 118.68 121.30 2cfx s LEU 105 Ca -0.04 -1.15 0.03 0.00 0.05 0.00 0.00 54.13 53.03 2cfx s LEU 105 Cb -0.15 -0.50 0.00 0.00 -2.05 0.00 0.00 46.19 43.50 2cfx s LEU 105 CO -0.05 -0.36 -0.23 -0.75 -0.55 0.00 0.00 176.35 174.41 2cfx s LYS 106 N -3.76 3.03 -0.07 1.48 2.20 -1.05 -0.06 119.74 121.52 2cfx s LYS 106 Ca 0.27 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 2cfx s LYS 106 Cb 0.03 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.99 2cfx s LYS 106 CO 0.09 0.11 -0.16 -1.50 -0.36 0.00 0.00 175.35 173.53 2cfx s ILE 107 N 0.52 2.89 -0.10 5.43 2.07 -0.79 -0.77 121.20 130.45 2cfx s ILE 107 Ca -0.15 -0.77 -0.03 0.00 -1.41 0.00 0.00 60.65 58.29 2cfx s ILE 107 Cb -0.17 -2.14 -0.04 0.00 0.13 0.00 0.00 42.46 40.25 2cfx s ILE 107 CO 0.05 0.57 0.04 0.20 -1.91 0.00 0.00 174.94 173.90 2cfx s ASN 108 N -0.41 5.59 0.09 4.50 -0.87 -0.40 -1.60 114.94 121.83 2cfx s ASN 108 Ca 0.04 0.24 -0.04 0.00 -1.57 0.00 0.00 52.86 51.54 2cfx s ASN 108 Cb -0.12 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.25 39.42 2cfx s ASN 108 CO 0.02 0.39 0.07 0.00 -2.57 0.00 0.00 177.10 175.01 2cfx s ALA 109 N -0.92 0.36 0.32 0.60 0.00 0.12 -4.82 121.76 117.42 2cfx s ALA 109 Ca 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2cfx s ALA 109 Cb -0.12 0.52 0.53 0.00 0.00 0.00 0.00 23.12 24.05 2cfx s ALA 109 CO 0.03 -0.46 1.97 0.93 0.00 0.00 0.00 175.76 178.23 2cfx h GLU 110 N 2.93 0.93 -2.64 0.00 5.08 -1.86 -2.06 114.58 116.96 2cfx h GLU 110 Ca -0.34 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 2cfx h GLU 110 Cb 1.18 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 2cfx h GLU 110 CO 0.60 0.64 0.42 -1.54 -1.00 0.00 0.00 179.01 178.14 2cfx s SER 111 N -6.42 -0.11 0.31 1.42 1.04 -1.26 -4.39 113.70 104.29 2cfx s SER 111 Ca -0.11 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 2cfx s SER 111 Cb 0.17 0.61 0.48 0.00 0.10 0.00 0.00 66.02 67.38 2cfx s SER 111 CO 0.78 -1.16 1.93 -0.07 0.98 0.00 0.00 173.24 175.69 2cfx h LEU 112 N 2.00 0.83 -0.91 2.42 3.38 -1.98 -3.08 115.31 117.98 2cfx h LEU 112 Ca -0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2cfx h LEU 112 Cb 1.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2cfx h LEU 112 CO 0.31 0.67 0.53 -0.08 0.09 0.00 0.00 178.44 179.96 2cfx h GLU 113 N 0.94 1.24 -0.05 1.13 4.81 -1.99 -0.78 114.58 119.89 2cfx h GLU 113 Ca 0.24 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2cfx h GLU 113 Cb 0.03 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 2cfx h GLU 113 CO -0.04 0.88 -0.41 0.00 -0.73 0.00 0.00 179.01 178.72 2cfx h ALA 114 N 1.29 1.23 -0.33 2.92 0.00 -1.94 -0.61 119.26 121.82 2cfx h ALA 114 Ca 0.32 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2cfx h ALA 114 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2cfx h ALA 114 CO -0.06 0.55 -0.07 0.28 0.00 0.00 0.00 179.25 179.95 2cfx h VAL 115 N 0.09 1.28 -0.77 0.00 2.07 -1.36 -1.04 116.25 116.52 2cfx h VAL 115 Ca 0.01 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 2cfx h VAL 115 Cb 0.76 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2cfx h VAL 115 CO 0.06 0.36 0.31 -0.08 0.02 0.00 0.00 177.57 178.24 2cfx h GLU 116 N 0.41 1.15 -0.87 1.57 4.81 -0.85 -0.73 114.58 120.08 2cfx h GLU 116 Ca 0.08 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2cfx h GLU 116 Cb 0.57 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 2cfx h GLU 116 CO 0.03 0.93 0.57 -0.44 -0.73 0.00 0.00 179.01 179.37 2cfx h ASP 117 N 1.12 0.96 -0.44 1.04 3.32 -1.02 -1.90 116.42 119.49 2cfx h ASP 117 Ca 0.26 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2cfx h ASP 117 Cb 0.20 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2cfx h ASP 117 CO -0.02 0.67 0.25 0.15 -1.72 0.00 0.00 179.24 178.57 2cfx h PHE 118 N 1.12 0.60 0.76 4.55 3.57 -0.22 0.95 116.94 128.27 2cfx h PHE 118 Ca 0.34 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 2cfx h PHE 118 Cb -0.04 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.51 2cfx h PHE 118 CO -0.02 0.44 -0.36 0.82 -2.23 0.00 0.00 178.31 176.96 2cfx h ILE 119 N 0.58 0.19 -0.89 1.41 1.08 -0.94 -1.06 117.51 117.88 2cfx h ILE 119 Ca 0.16 -0.12 0.24 0.00 -0.39 0.00 0.00 64.86 64.74 2cfx h ILE 119 Cb 0.03 0.22 -0.15 0.00 -3.07 0.00 0.00 36.82 33.85 2cfx h ILE 119 CO -0.03 0.01 0.22 0.78 -0.69 0.00 0.00 178.15 178.44 2cfx h ASN 120 N -1.12 -0.04 1.48 1.72 4.21 -1.36 -0.12 115.58 120.35 2cfx h ASN 120 Ca -0.10 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.61 2cfx h ASN 120 Cb 0.80 0.29 0.00 0.00 -1.12 0.00 0.00 38.32 38.28 2cfx h ASN 120 CO 0.17 -0.18 0.00 0.11 -1.29 0.00 0.00 177.43 176.24 2cfx h LYS 121 N 0.18 0.00 0.00 0.81 6.56 -0.32 -3.27 116.57 120.53 2cfx h LYS 121 Ca 0.56 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.14 2cfx h LYS 121 Cb 1.14 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.80 2cfx h LYS 121 CO -0.68 0.00 -1.22 -2.37 -2.06 0.00 0.00 179.45 173.12 2cfx n THR 122 N -2.97 0.50 -0.19 -0.16 5.66 -0.23 -4.51 114.28 112.38 2cfx n THR 122 Ca 0.03 -0.54 0.19 0.00 -3.05 0.00 0.00 64.05 60.67 2cfx n THR 122 Cb 0.41 -0.27 0.55 0.00 -1.55 0.00 0.00 70.33 69.46 2cfx n THR 122 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2cfx h SER 123 N 0.00 0.33 -0.78 1.09 0.02 -1.15 0.37 113.55 113.42 2cfx h SER 123 Ca -0.00 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.13 2cfx h SER 123 Cb 1.01 -0.03 -0.10 0.00 0.14 0.00 0.00 62.40 63.42 2cfx h SER 123 CO 0.00 0.14 0.30 1.55 -1.14 0.00 0.00 176.83 177.68 2cfx h PRO 124 N 0.33 0.39 0.00 3.45 0.13 -1.80 -3.30 132.00 131.20 2cfx h PRO 124 Ca 0.42 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.41 2cfx h PRO 124 Cb 1.12 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 2cfx h PRO 124 CO -0.13 0.26 -1.52 0.66 -0.23 0.00 0.00 178.00 177.04 2cfx n TYR 125 N -5.04 0.70 -3.64 1.56 4.02 0.12 -4.74 117.16 110.14 2cfx n TYR 125 Ca 0.16 0.22 -0.08 0.00 -0.01 0.00 0.00 57.90 58.19 2cfx n TYR 125 Cb 0.47 -0.94 -0.07 0.00 -0.02 0.00 0.00 39.34 38.78 2cfx n TYR 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cfx s ALA 126 N -3.10 -2.01 0.34 -0.72 0.00 -0.72 -1.08 121.76 114.47 2cfx s ALA 126 Ca -0.04 2.03 -0.28 0.00 0.00 0.00 0.00 51.96 53.67 2cfx s ALA 126 Cb 0.10 -1.47 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 2cfx s ALA 126 CO 0.83 -0.29 1.22 -0.65 0.00 0.00 0.00 175.76 176.87 2cfx s GLN 127 N 0.65 4.34 0.06 0.00 -0.21 0.44 -3.97 119.66 120.98 2cfx s GLN 127 Ca -0.01 2.02 0.08 0.00 0.02 0.00 0.00 55.36 57.46 2cfx s GLN 127 Cb -0.05 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.94 2cfx s GLN 127 CO -0.09 -0.13 -0.21 0.95 -2.12 0.00 0.00 175.29 173.69 2cfx s THR 128 N -1.22 1.73 -0.07 -0.19 -4.23 -1.26 -0.61 115.64 109.79 2cfx s THR 128 Ca 0.50 -1.32 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2cfx s THR 128 Cb -0.36 -1.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.96 2cfx s THR 128 CO 0.46 0.14 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.78 2cfx s VAL 129 N -0.90 1.83 -0.20 2.29 1.01 -0.37 -4.96 120.40 119.09 2cfx s VAL 129 Ca 0.08 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2cfx s VAL 129 Cb -0.09 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2cfx s VAL 129 CO 0.03 0.51 -0.13 -0.89 0.00 0.00 0.00 175.10 174.61 2cfx s THR 130 N 0.15 2.53 -0.29 3.92 2.01 -1.26 -0.69 115.64 122.01 2cfx s THR 130 Ca -0.10 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 2cfx s THR 130 Cb -0.15 -2.14 0.02 0.00 0.01 0.00 0.00 72.50 70.24 2cfx s THR 130 CO 0.05 0.43 0.03 -1.00 -0.69 0.00 0.00 174.62 173.45 2cfx s HIS 131 N 1.34 3.15 0.22 4.92 3.76 0.88 -4.99 115.29 124.56 2cfx s HIS 131 Ca 0.04 -1.35 -0.30 0.00 -0.15 0.00 0.00 55.06 53.30 2cfx s HIS 131 Cb -0.14 -2.18 -0.09 0.00 1.11 0.00 0.00 32.58 31.28 2cfx s HIS 131 CO -0.09 -0.68 1.33 0.08 -0.85 0.00 0.00 174.74 174.54 2cfx s VAL 132 N 1.40 3.08 -0.13 -0.90 1.01 -1.26 -0.02 120.40 123.57 2cfx s VAL 132 Ca 0.00 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 2cfx s VAL 132 Cb -0.18 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.62 2cfx s VAL 132 CO -0.00 0.14 1.06 -0.63 0.00 0.00 0.00 175.10 175.67 2cfx s ILE 133 N 0.00 4.64 -0.05 2.22 1.01 0.62 -4.87 121.20 124.77 2cfx s ILE 133 Ca 0.57 1.93 -0.16 0.00 0.00 0.00 0.00 60.65 62.99 2cfx s ILE 133 Cb -0.38 -4.25 -0.31 0.00 0.01 0.00 0.00 42.46 37.54 2cfx s ILE 133 CO 0.40 -0.06 0.77 -0.26 0.00 0.00 0.00 174.94 175.79 2cfx h PHE 134 N 7.32 0.66 -2.19 3.97 0.05 -1.94 -3.44 116.94 121.38 2cfx h PHE 134 Ca -0.28 -0.48 0.22 0.00 3.82 0.00 0.00 57.97 61.25 2cfx h PHE 134 Cb 1.12 -0.03 -0.07 0.00 2.00 0.00 0.00 35.95 38.97 2cfx h PHE 134 CO 0.73 1.53 0.63 -1.54 -0.18 0.00 0.00 178.31 179.48 2cfx s SER 135 N -7.21 -0.07 0.05 2.17 1.04 -1.26 -5.15 113.70 103.26 2cfx s SER 135 Ca -0.15 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2cfx s SER 135 Cb 0.04 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2cfx s SER 135 CO 0.85 -0.75 -0.07 -1.83 0.98 0.00 0.00 173.24 172.42 2cfx s GLU 136 N -2.60 0.54 -0.15 4.02 -1.05 -1.26 -5.12 118.70 113.08 2cfx s GLU 136 Ca 0.18 -0.83 -0.19 0.00 -0.15 0.00 0.00 54.97 53.97 2cfx s GLU 136 Cb -0.00 -0.21 -0.04 0.00 -0.44 0.00 0.00 34.13 33.45 2cfx s GLU 136 CO 0.02 0.02 0.54 0.42 0.95 0.00 0.00 175.26 177.21 2cfx s ILE 137 N -1.78 5.12 -0.22 1.83 1.01 -1.26 -5.04 121.20 120.86 2cfx s ILE 137 Ca -0.07 1.05 -0.29 0.00 0.00 0.00 0.00 60.65 61.34 2cfx s ILE 137 Cb -0.07 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 2cfx s ILE 137 CO -0.01 0.24 1.26 -0.62 0.00 0.00 0.00 174.94 175.81 2cfx s ASP 138 N 0.90 6.85 -0.03 3.58 2.15 -1.26 -4.86 116.67 124.00 2cfx s ASP 138 Ca 0.27 1.48 0.06 0.00 0.43 0.00 0.00 52.55 54.79 2cfx s ASP 138 Cb -0.16 -2.54 0.11 0.00 -0.30 0.00 0.00 42.92 40.04 2cfx s ASP 138 CO 0.11 -0.88 1.08 0.35 -0.17 0.00 0.00 175.17 175.66 2cfx n THR 139 N 5.70 1.21 1.70 1.71 -2.24 -1.26 -5.37 114.28 115.73 2cfx n THR 139 Ca 0.14 -1.26 0.15 0.00 -2.27 0.00 0.00 64.05 60.81 2cfx n THR 139 Cb 0.46 0.34 0.69 0.00 -2.10 0.00 0.00 70.33 69.72 2cfx n THR 139 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79