#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 4.15 -0.30 2.12 0.00 -1.26 -5.04 119.74 119.41 2cfx s LYS 2 Ca 0.00 1.21 -0.08 0.00 0.00 0.00 0.00 55.97 57.10 2cfx s LYS 2 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 37.83 35.61 2cfx s LYS 2 CO 0.00 -0.11 0.11 -0.51 0.00 0.00 0.00 175.35 174.84 2cfx s LEU 3 N -3.15 3.91 0.00 2.77 1.02 -1.26 -5.10 118.68 116.87 2cfx s LEU 3 Ca 0.62 -0.56 -0.18 0.00 0.02 0.00 0.00 54.13 54.03 2cfx s LEU 3 Cb -0.12 -1.94 0.26 0.00 0.02 0.00 0.00 46.19 44.41 2cfx s LEU 3 CO 0.16 -0.17 1.22 -0.90 0.02 0.00 0.00 176.35 176.68 2cfx n ASP 4 N 4.93 -0.86 -0.20 2.29 5.75 -1.26 -4.92 116.55 122.28 2cfx n ASP 4 Ca -0.14 -1.34 -0.09 0.00 -0.01 0.00 0.00 54.79 53.20 2cfx n ASP 4 Cb 0.49 -1.01 0.02 0.00 -1.03 0.00 0.00 41.12 39.59 2cfx n ASP 4 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2cfx h GLN 5 N 0.00 1.01 -0.85 0.11 5.75 -2.00 -2.74 115.11 116.39 2cfx h GLN 5 Ca -0.42 -0.31 0.15 0.00 -0.15 0.00 0.00 58.65 57.92 2cfx h GLN 5 Cb 1.21 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 29.60 2cfx h GLN 5 CO 0.29 0.99 0.56 0.82 -2.65 0.00 0.00 178.83 178.84 2cfx h ILE 6 N 0.90 0.80 -0.46 2.39 1.08 -1.99 -1.75 117.51 118.47 2cfx h ILE 6 Ca 0.17 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.39 2cfx h ILE 6 Cb 0.53 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 2cfx h ILE 6 CO 0.03 0.10 0.10 0.44 -0.69 0.00 0.00 178.15 178.13 2cfx h ASP 7 N 0.57 0.72 0.35 1.72 3.32 -1.85 -2.01 116.42 119.24 2cfx h ASP 7 Ca 0.43 -0.25 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 2cfx h ASP 7 Cb 0.83 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2cfx h ASP 7 CO -0.18 0.78 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.63 2cfx h LEU 8 N 0.63 0.10 -0.86 1.55 3.38 -1.35 -1.39 115.31 117.36 2cfx h LEU 8 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2cfx h LEU 8 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2cfx h LEU 8 CO 0.00 0.51 -0.51 0.78 0.09 0.00 0.00 178.44 179.32 2cfx h ASN 9 N 0.08 0.17 0.15 -0.43 2.35 -1.23 -0.55 115.58 116.13 2cfx h ASN 9 Ca 0.01 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2cfx h ASN 9 Cb 0.78 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2cfx h ASN 9 CO 0.06 0.65 -0.07 0.40 -1.65 0.00 0.00 177.43 176.81 2cfx h ILE 10 N 0.12 0.95 0.59 2.81 2.04 -0.85 -2.55 117.51 120.62 2cfx h ILE 10 Ca 0.00 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 2cfx h ILE 10 Cb 0.94 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 2cfx h ILE 10 CO 0.07 0.11 -0.40 0.40 0.00 0.00 0.00 178.15 178.33 2cfx h ILE 11 N -0.42 0.00 -0.18 -0.67 2.04 -1.25 0.31 117.51 117.34 2cfx h ILE 11 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2cfx h ILE 11 Cb 0.33 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2cfx h ILE 11 CO 0.03 0.00 0.43 -0.33 0.00 0.00 0.00 178.15 178.28 2cfx h GLU 12 N -0.94 0.00 0.10 2.37 5.08 -1.22 0.10 114.58 120.08 2cfx h GLU 12 Ca -0.08 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.99 2cfx h GLU 12 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2cfx h GLU 12 CO 0.05 0.00 -1.50 1.49 -1.00 0.00 0.00 179.01 178.05 2cfx h GLU 13 N 0.00 0.22 0.00 2.33 4.57 -0.96 -3.14 114.58 117.60 2cfx h GLU 13 Ca 0.08 -0.38 -0.14 0.00 -1.18 0.00 0.00 59.36 57.74 2cfx h GLU 13 Cb 0.94 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 2cfx h GLU 13 CO -0.00 1.18 -0.69 -0.07 -1.18 0.00 0.00 179.01 178.25 2cfx h LEU 14 N -0.31 0.00 -1.78 1.64 3.38 -0.59 -2.65 115.31 115.00 2cfx h LEU 14 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2cfx h LEU 14 Cb 1.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2cfx h LEU 14 CO 0.03 0.69 0.02 0.11 0.09 0.00 0.00 178.44 179.38 2cfx h LYS 15 N 0.00 0.16 0.22 1.13 1.57 -0.90 -1.01 116.57 117.74 2cfx h LYS 15 Ca -0.01 -0.02 -0.30 0.00 -1.87 0.00 0.00 60.65 58.46 2cfx h LYS 15 Cb 1.27 -0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.58 2cfx h LYS 15 CO 0.09 0.16 -1.31 0.87 -0.57 0.00 0.00 179.45 178.69 2cfx h LYS 16 N 0.16 0.47 -2.25 3.15 1.79 -1.49 -3.44 116.57 114.96 2cfx h LYS 16 Ca 0.04 -0.81 -0.20 0.00 -2.18 0.00 0.00 60.65 57.50 2cfx h LYS 16 Cb 0.07 0.30 -0.32 0.00 -1.58 0.00 0.00 32.23 30.71 2cfx h LYS 16 CO -0.00 1.39 -0.52 0.34 -1.08 0.00 0.00 179.45 179.58 2cfx s ASP 17 N -7.41 0.55 0.00 0.86 -1.08 -1.01 -5.02 116.67 103.56 2cfx s ASP 17 Ca -0.11 0.20 0.18 0.00 -0.52 0.00 0.00 52.55 52.31 2cfx s ASP 17 Cb 0.03 0.87 0.78 0.00 -1.46 0.00 0.00 42.92 43.13 2cfx s ASP 17 CO 0.91 -0.29 1.54 -1.54 0.52 0.00 0.00 175.17 176.31 2cfx n SER 18 N 5.35 1.13 0.00 -0.34 3.41 -0.41 -3.86 113.62 118.90 2cfx n SER 18 Ca -0.05 -1.67 0.11 0.00 -0.26 0.00 0.00 58.87 57.00 2cfx n SER 18 Cb 0.50 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 2cfx n SER 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cfx n ARG 19 N -0.02 0.52 -1.69 4.33 1.74 -1.26 -4.96 116.66 115.32 2cfx n ARG 19 Ca 0.14 -0.13 -0.64 0.00 -0.77 0.00 0.00 57.85 56.45 2cfx n ARG 19 Cb 0.23 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 2cfx n ARG 19 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2cfx n LEU 20 N -2.14 1.22 -4.76 0.55 4.77 -1.25 -4.93 117.00 110.46 2cfx n LEU 20 Ca -0.02 1.16 -0.37 0.00 -0.03 0.00 0.00 56.01 56.75 2cfx n LEU 20 Cb 0.52 -0.95 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 2cfx n LEU 20 CO 0.45 -0.96 0.87 -0.94 -1.33 0.00 0.00 177.39 175.47 2cfx s SER 21 N 2.46 5.37 0.28 -1.43 1.04 -1.26 -4.81 113.70 115.35 2cfx s SER 21 Ca 1.00 2.45 0.01 0.00 0.48 0.00 0.00 55.95 59.90 2cfx s SER 21 Cb -1.36 -2.61 0.65 0.00 0.10 0.00 0.00 66.02 62.80 2cfx s SER 21 CO 0.73 -1.48 1.67 0.24 0.98 0.00 0.00 173.24 175.39 2cfx h MET 22 N 1.20 0.28 0.00 4.02 0.00 -1.94 -0.20 114.93 118.30 2cfx h MET 22 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.18 2cfx h MET 22 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.83 2cfx h MET 22 CO 0.56 0.19 0.00 0.54 0.00 0.00 0.00 176.91 178.20 2cfx n ARG 23 N -5.14 0.10 -0.00 1.72 3.00 -1.26 -1.83 116.66 113.25 2cfx n ARG 23 Ca 0.20 0.44 0.02 0.00 -0.01 0.00 0.00 57.85 58.49 2cfx n ARG 23 Cb 0.61 -1.73 -0.03 0.00 0.00 0.00 0.00 32.46 31.31 2cfx n ARG 23 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2cfx n GLU 24 N -1.93 4.57 -0.07 5.56 0.28 -0.19 -3.19 120.64 125.66 2cfx n GLU 24 Ca 0.01 -0.01 -0.14 0.00 -0.16 0.00 0.00 57.16 56.87 2cfx n GLU 24 Cb 0.14 -0.79 -0.05 0.00 1.43 0.00 0.00 31.44 32.17 2cfx n GLU 24 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2cfx h LEU 25 N 0.00 0.71 0.98 -1.84 5.85 -1.00 -3.24 115.31 116.78 2cfx h LEU 25 Ca 0.00 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 2cfx h LEU 25 Cb 0.13 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 40.97 2cfx h LEU 25 CO 0.00 1.09 -0.47 1.23 -0.34 0.00 0.00 178.44 179.95 2cfx h GLY 26 N 0.36 -1.37 0.52 3.75 0.00 -1.55 -1.39 103.07 103.39 2cfx h GLY 26 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2cfx h GLY 26 CO 0.08 -0.50 0.00 -0.96 0.00 0.00 0.00 176.54 175.16 2cfx n ARG 27 N -5.65 0.00 0.04 4.80 -4.01 -1.19 -0.67 116.66 109.97 2cfx n ARG 27 Ca -0.16 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 2cfx n ARG 27 Cb 0.52 -1.48 0.00 0.00 -3.04 0.00 0.00 32.46 28.46 2cfx n ARG 27 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 2cfx n LYS 28 N -0.75 0.00 0.00 2.89 2.85 -1.07 -4.64 118.16 117.44 2cfx n LYS 28 Ca 0.00 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.37 2cfx n LYS 28 Cb 0.00 -0.46 0.58 0.00 -0.65 0.00 0.00 35.03 34.51 2cfx n LYS 28 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2cfx n ILE 29 N -3.30 0.19 -3.19 0.58 -5.35 -0.55 -4.95 119.36 102.79 2cfx n ILE 29 Ca 0.00 0.05 -0.06 0.00 -0.27 0.00 0.00 62.75 62.46 2cfx n ILE 29 Cb 0.17 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 2cfx n ILE 29 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2cfx n LYS 30 N -1.15 -1.47 -3.83 6.28 -0.00 0.16 -5.06 118.16 113.08 2cfx n LYS 30 Ca 0.13 1.41 -0.09 0.00 -0.00 0.00 0.00 58.31 59.76 2cfx n LYS 30 Cb 0.12 -5.01 -0.07 0.00 -0.00 0.00 0.00 35.03 30.07 2cfx n LYS 30 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2cfx s LEU 31 N -4.03 1.31 0.02 -5.58 0.20 -0.98 -5.04 118.68 104.58 2cfx s LEU 31 Ca 0.03 -0.57 -0.30 0.00 0.69 0.00 0.00 54.13 53.98 2cfx s LEU 31 Cb -0.01 1.11 -0.05 0.00 -0.43 0.00 0.00 46.19 46.81 2cfx s LEU 31 CO 0.78 -0.71 1.29 -0.94 -0.29 0.00 0.00 176.35 176.48 2cfx s SER 32 N -2.73 6.97 0.02 3.68 1.04 -1.26 -4.33 113.70 117.09 2cfx s SER 32 Ca 0.03 2.03 0.01 0.00 0.48 0.00 0.00 55.95 58.51 2cfx s SER 32 Cb 0.04 -2.57 0.06 0.00 0.10 0.00 0.00 66.02 63.65 2cfx s SER 32 CO -0.10 -0.60 0.85 -2.65 0.98 0.00 0.00 173.24 171.72 2cfx n PRO 33 N 4.72 0.01 -0.05 4.02 -0.02 -1.26 0.53 135.00 142.94 2cfx n PRO 33 Ca 0.11 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 2cfx n PRO 33 Cb 0.45 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.07 2cfx n PRO 33 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2cfx n PRO 34 N -1.37 0.66 -0.06 0.52 -0.04 -1.26 -4.36 135.00 129.09 2cfx n PRO 34 Ca -0.00 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2cfx n PRO 34 Cb 0.19 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 2cfx n PRO 34 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cfx h SER 35 N 0.00 0.44 -0.54 3.54 0.87 -0.29 -2.95 113.55 114.63 2cfx h SER 35 Ca -0.38 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 2cfx h SER 35 Cb 1.97 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.78 2cfx h SER 35 CO 0.04 0.85 0.35 1.62 -0.53 0.00 0.00 176.83 179.16 2cfx h VAL 36 N 0.05 1.14 0.00 2.23 3.04 -1.10 -2.86 116.25 118.75 2cfx h VAL 36 Ca 0.02 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2cfx h VAL 36 Cb 0.73 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2cfx h VAL 36 CO 0.04 0.14 -0.01 0.00 -1.01 0.00 0.00 177.57 176.73 2cfx h THR 37 N 0.73 0.06 0.40 3.17 1.03 -1.75 -2.58 112.91 113.97 2cfx h THR 37 Ca 0.20 -0.28 -0.02 0.00 -0.01 0.00 0.00 66.41 66.30 2cfx h THR 37 Cb -0.08 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 2cfx h THR 37 CO -0.04 0.01 -0.19 -0.08 -0.01 0.00 0.00 175.52 175.21 2cfx h GLU 38 N 0.00 -0.52 -0.93 0.00 4.57 -1.33 -2.81 114.58 113.56 2cfx h GLU 38 Ca -0.00 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 2cfx h GLU 38 Cb 0.26 0.12 -0.12 0.00 -0.16 0.00 0.00 28.75 28.85 2cfx h GLU 38 CO 0.00 -0.26 -0.53 0.54 -1.18 0.00 0.00 179.01 177.58 2cfx n ARG 39 N -5.14 -0.39 -0.29 1.92 1.74 -1.09 -1.53 116.66 111.88 2cfx n ARG 39 Ca -0.08 1.40 0.07 0.00 -0.77 0.00 0.00 57.85 58.47 2cfx n ARG 39 Cb 0.26 -2.07 0.22 0.00 -1.02 0.00 0.00 32.46 29.85 2cfx n ARG 39 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2cfx h VAL 40 N 0.00 0.71 0.00 1.55 2.07 -1.53 0.97 116.25 120.01 2cfx h VAL 40 Ca 0.17 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 2cfx h VAL 40 Cb 0.40 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2cfx h VAL 40 CO -0.88 0.11 -0.20 0.03 0.02 0.00 0.00 177.57 176.65 2cfx h ARG 41 N 0.58 0.00 0.01 1.57 -0.00 -1.00 -1.44 114.38 114.10 2cfx h ARG 41 Ca 0.45 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.86 2cfx h ARG 41 Cb 0.65 0.00 0.01 0.00 0.00 0.00 0.00 29.97 30.63 2cfx h ARG 41 CO -0.37 0.20 -0.30 1.96 0.00 0.00 0.00 179.97 181.46 2cfx h GLN 42 N 0.00 0.18 -0.89 0.04 1.08 0.08 -2.54 115.11 113.07 2cfx h GLN 42 Ca -0.00 -0.21 0.07 0.00 -1.45 0.00 0.00 58.65 57.06 2cfx h GLN 42 Cb 0.59 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 28.02 2cfx h GLN 42 CO 0.03 0.96 0.55 -0.07 -0.95 0.00 0.00 178.83 179.35 2cfx h LEU 43 N -0.51 0.86 -0.53 1.46 3.38 -1.11 -2.80 115.31 116.07 2cfx h LEU 43 Ca -0.04 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2cfx h LEU 43 Cb 1.08 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2cfx h LEU 43 CO 0.06 0.54 -0.03 -0.33 0.09 0.00 0.00 178.44 178.76 2cfx h GLU 44 N 0.99 0.95 0.09 1.13 5.08 -1.31 -1.44 114.58 120.07 2cfx h GLU 44 Ca 0.39 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2cfx h GLU 44 Cb 0.21 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2cfx h GLU 44 CO -0.19 0.98 -0.05 0.66 -1.00 0.00 0.00 179.01 179.42 2cfx h SER 45 N 0.82 -0.11 0.40 1.42 4.64 -1.36 -3.04 113.55 116.33 2cfx h SER 45 Ca 0.14 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 2cfx h SER 45 Cb 0.57 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2cfx h SER 45 CO 0.03 0.32 -0.13 -0.26 -0.87 0.00 0.00 176.83 175.93 2cfx h PHE 46 N -0.56 0.00 0.00 4.77 -1.00 -1.64 -3.47 116.94 115.04 2cfx h PHE 46 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2cfx h PHE 46 Cb 0.46 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.02 2cfx h PHE 46 CO 0.06 0.13 0.00 0.41 -1.61 0.00 0.00 178.31 177.30 2cfx n GLY 47 N -0.63 1.07 0.50 -1.45 0.00 -0.63 -4.94 105.19 99.11 2cfx n GLY 47 Ca -0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -2.88 -0.61 5.03 -1.59 -3.39 117.51 114.07 2cfx h ILE 48 Ca 0.00 -0.07 -0.57 0.00 -0.12 0.00 0.00 64.86 64.11 2cfx h ILE 48 Cb 0.30 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.05 2cfx h ILE 48 CO 0.00 0.00 0.92 -0.63 -0.68 0.00 0.00 178.15 177.76 2cfx s ILE 49 N -5.64 4.22 -0.18 -0.67 1.01 -0.77 -4.91 121.20 114.25 2cfx s ILE 49 Ca -0.18 1.47 0.17 0.00 0.00 0.00 0.00 60.65 62.11 2cfx s ILE 49 Cb 0.02 -3.95 -0.25 0.00 0.01 0.00 0.00 42.46 38.29 2cfx s ILE 49 CO 0.55 -0.13 0.14 0.29 0.00 0.00 0.00 174.94 175.79 2cfx n LYS 50 N 6.66 0.68 -3.60 2.79 5.02 -1.26 -4.59 118.16 123.87 2cfx n LYS 50 Ca 0.14 0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.38 2cfx n LYS 50 Cb 0.45 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.50 0.45 -0.17 1.97 0.74 -1.26 -5.13 119.66 113.75 2cfx s GLN 51 Ca -0.09 0.12 -0.05 0.00 0.05 0.00 0.00 55.36 55.38 2cfx s GLN 51 Cb 0.06 0.21 -0.03 0.00 1.10 0.00 0.00 33.01 34.35 2cfx s GLN 51 CO 0.83 -0.14 0.00 0.71 -0.55 0.00 0.00 175.29 176.14 2cfx s TYR 52 N -1.04 3.10 0.00 1.67 1.51 -1.26 -5.07 117.35 116.25 2cfx s TYR 52 Ca 0.01 -0.21 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 2cfx s TYR 52 Cb -0.01 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2cfx s TYR 52 CO -0.01 -0.02 0.00 -2.37 -1.11 0.00 0.00 175.55 172.04 2cfx n THR 53 N 3.68 0.00 -3.90 -0.71 5.66 -1.26 -5.17 114.28 112.57 2cfx n THR 53 Ca -0.17 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.72 2cfx n THR 53 Cb 0.52 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.18 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 1.99 -0.20 1.09 2.96 -1.26 -4.91 118.68 118.34 2cfx s LEU 54 Ca 0.00 -0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2cfx s LEU 54 Cb 0.00 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.80 2cfx s LEU 54 CO 0.00 -0.14 0.05 -1.61 -1.32 0.00 0.00 176.35 173.33 2cfx s GLU 55 N -0.61 3.79 -0.04 1.98 0.41 -1.26 -5.10 118.70 117.86 2cfx s GLU 55 Ca -0.07 -0.43 0.03 0.00 -0.41 0.00 0.00 54.97 54.09 2cfx s GLU 55 Cb -0.04 -3.20 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 2cfx s GLU 55 CO -0.00 0.08 -0.13 0.08 -0.49 0.00 0.00 175.26 174.80 2cfx s VAL 56 N 0.87 3.15 -0.65 2.63 1.01 -1.26 -5.07 120.40 121.09 2cfx s VAL 56 Ca 0.03 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 2cfx s VAL 56 Cb -0.14 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.03 2cfx s VAL 56 CO 0.02 0.57 1.11 -0.62 0.00 0.00 0.00 175.10 176.18 2cfx s ASP 57 N -0.82 6.26 0.55 3.32 -1.08 -1.26 -4.93 116.67 118.71 2cfx s ASP 57 Ca 0.12 -0.45 0.23 0.00 -0.52 0.00 0.00 52.55 51.94 2cfx s ASP 57 Cb -0.11 -2.50 1.46 0.00 -1.46 0.00 0.00 42.92 40.32 2cfx s ASP 57 CO 0.01 -1.53 2.10 1.56 0.52 0.00 0.00 175.17 177.83 2cfx h GLN 58 N 9.66 0.00 -0.23 4.34 1.08 -1.97 -2.57 115.11 125.42 2cfx h GLN 58 Ca -0.27 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.75 2cfx h GLN 58 Cb 1.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 2cfx h GLN 58 CO 1.19 0.00 -0.58 0.87 -0.95 0.00 0.00 178.83 179.36 2cfx h LYS 59 N 0.00 0.72 0.00 1.46 6.56 -1.91 0.46 116.57 123.86 2cfx h LYS 59 Ca 0.10 -0.48 -0.11 0.00 -1.06 0.00 0.00 60.65 59.10 2cfx h LYS 59 Cb 0.43 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.14 2cfx h LYS 59 CO -0.00 1.10 -0.54 0.87 -2.06 0.00 0.00 179.45 178.82 2cfx h LYS 60 N 0.55 0.00 -0.24 3.15 1.57 -1.81 -1.63 116.57 118.16 2cfx h LYS 60 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2cfx h LYS 60 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2cfx h LYS 60 CO 0.12 0.54 0.00 1.28 -0.57 0.00 0.00 179.45 180.82 2cfx n LEU 61 N -3.62 0.24 -0.06 2.94 4.77 -1.04 -4.90 117.00 115.34 2cfx n LEU 61 Ca -0.00 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 2cfx n LEU 61 Cb 0.60 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2cfx n LEU 61 CO 0.40 0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.12 2cfx n GLY 62 N 0.20 0.47 2.39 -0.72 0.00 -0.61 -4.98 105.19 101.94 2cfx n GLY 62 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.09 3.15 0.00 0.99 4.77 0.14 -4.30 117.00 121.66 2cfx n LEU 63 Ca -0.01 -5.32 0.15 0.00 -0.03 0.00 0.00 56.01 50.80 2cfx n LEU 63 Cb 0.03 -0.43 0.80 0.00 -2.33 0.00 0.00 43.42 41.49 2cfx n LEU 63 CO 0.01 2.07 1.02 -0.81 -1.33 0.00 0.00 177.39 178.35 2cfx n PRO 64 N 0.91 0.64 -4.13 3.23 -0.04 -1.13 -3.81 135.00 130.66 2cfx n PRO 64 Ca 0.28 0.01 -0.35 0.00 -0.04 0.00 0.00 63.50 63.41 2cfx n PRO 64 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.33 4.21 0.13 0.52 1.01 -1.03 -4.91 120.40 118.01 2cfx s VAL 65 Ca 0.35 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2cfx s VAL 65 Cb 0.20 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2cfx s VAL 65 CO 0.40 0.45 -0.21 -0.44 0.00 0.00 0.00 175.10 175.30 2cfx s SER 66 N 0.67 2.74 0.01 3.32 0.01 -1.26 0.09 113.70 119.27 2cfx s SER 66 Ca 0.00 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.45 2cfx s SER 66 Cb -0.14 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2cfx s SER 66 CO 0.02 0.04 0.08 0.00 0.41 0.00 0.00 173.24 173.80 2cfx s ILE 68 N -1.36 5.35 -0.09 0.00 -1.09 0.57 -1.79 121.20 122.80 2cfx s ILE 68 Ca -0.15 0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.70 2cfx s ILE 68 Cb -0.08 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2cfx s ILE 68 CO 0.01 0.52 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.42 2cfx s VAL 69 N -0.40 1.27 -0.15 2.92 1.01 0.82 -0.66 120.40 125.22 2cfx s VAL 69 Ca 0.16 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 2cfx s VAL 69 Cb -0.13 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2cfx s VAL 69 CO 0.05 0.39 0.42 -1.61 0.00 0.00 0.00 175.10 174.35 2cfx s GLU 70 N 0.93 4.28 -0.07 2.72 2.02 -0.55 -0.87 118.70 127.16 2cfx s GLU 70 Ca -0.09 0.31 0.01 0.00 0.02 0.00 0.00 54.97 55.23 2cfx s GLU 70 Cb -0.15 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 2cfx s GLU 70 CO 0.00 0.13 -0.10 0.00 0.02 0.00 0.00 175.26 175.31 2cfx s ALA 71 N 0.76 2.85 -0.17 5.21 0.00 0.34 -1.43 121.76 129.32 2cfx s ALA 71 Ca 0.22 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.28 2cfx s ALA 71 Cb -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.83 2cfx s ALA 71 CO 0.08 0.52 -0.18 -0.08 0.00 0.00 0.00 175.76 176.10 2cfx s THR 72 N -0.62 1.90 0.31 0.00 -1.32 0.16 -0.38 115.64 115.69 2cfx s THR 72 Ca 0.09 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.41 2cfx s THR 72 Cb -0.11 -1.76 -0.10 0.00 -1.51 0.00 0.00 72.50 69.02 2cfx s THR 72 CO 0.02 0.48 1.31 -0.69 -2.21 0.00 0.00 174.62 173.53 2cfx s VAL 73 N 1.35 2.78 0.25 5.08 1.01 -1.26 -0.12 120.40 129.49 2cfx s VAL 73 Ca 0.04 0.76 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 2cfx s VAL 73 Cb -0.13 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 2cfx s VAL 73 CO -0.12 0.17 0.52 -0.54 0.00 0.00 0.00 175.10 175.14 2cfx s LYS 74 N -1.50 3.67 -1.80 2.72 1.02 -0.42 -4.35 119.74 119.07 2cfx s LYS 74 Ca 0.50 0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.54 2cfx s LYS 74 Cb -0.39 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2cfx s LYS 74 CO 0.50 0.28 0.00 0.09 -0.92 0.00 0.00 175.35 175.30 2cfx n ASN 75 N -0.59 -4.67 -1.46 2.83 3.02 -1.26 -1.12 115.26 112.01 2cfx n ASN 75 Ca -0.01 0.38 -0.19 0.00 -0.03 0.00 0.00 54.58 54.73 2cfx n ASN 75 Cb 0.53 -4.16 -0.08 0.00 -0.61 0.00 0.00 39.78 35.46 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 0.56 -0.29 -3.30 5.41 0.00 -1.26 -4.88 120.51 116.75 2cfx n ALA 76 Ca -0.18 0.31 -0.45 0.00 0.00 0.00 0.00 53.44 53.12 2cfx n ALA 76 Cb 0.58 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2cfx n ALA 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cfx n ASP 77 N -1.11 5.64 -0.20 0.00 -0.08 -0.28 -4.82 116.55 115.70 2cfx n ASP 77 Ca -0.19 -3.09 -0.08 0.00 -1.51 0.00 0.00 54.79 49.92 2cfx n ASP 77 Cb 0.63 -1.36 0.02 0.00 2.34 0.00 0.00 41.12 42.75 2cfx n ASP 77 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2cfx h TYR 78 N 6.47 0.94 -0.38 -0.67 -1.99 -1.90 -2.57 116.97 116.87 2cfx h TYR 78 Ca 0.18 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 2cfx h TYR 78 Cb 0.83 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.28 2cfx h TYR 78 CO 0.79 0.79 0.14 1.49 -0.00 0.00 0.00 178.16 181.37 2cfx h GLU 79 N 0.82 0.58 -0.02 4.88 4.57 -1.99 0.46 114.58 123.88 2cfx h GLU 79 Ca 0.18 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.17 2cfx h GLU 79 Cb 0.31 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2cfx h GLU 79 CO -0.00 0.57 -0.40 -0.09 -1.18 0.00 0.00 179.01 177.90 2cfx h ARG 80 N 0.47 0.04 -0.24 1.92 2.43 -1.96 -1.25 114.38 115.79 2cfx h ARG 80 Ca 0.13 -0.02 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 2cfx h ARG 80 Cb 0.21 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2cfx h ARG 80 CO -0.01 0.44 -0.60 0.35 -1.51 0.00 0.00 179.97 178.64 2cfx h PHE 81 N 0.04 1.07 -0.22 2.20 3.57 -1.25 -1.92 116.94 120.44 2cfx h PHE 81 Ca 0.00 -0.41 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 2cfx h PHE 81 Cb 0.72 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2cfx h PHE 81 CO 0.00 1.24 0.05 -0.22 -2.23 0.00 0.00 178.31 177.15 2cfx h LYS 82 N 0.60 0.35 -0.53 1.11 3.64 -0.73 0.66 116.57 121.68 2cfx h LYS 82 Ca -0.01 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 2cfx h LYS 82 Cb 1.22 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 2cfx h LYS 82 CO 0.13 0.48 0.12 0.77 -2.27 0.00 0.00 179.45 178.68 2cfx h SER 83 N 0.17 0.04 0.37 4.20 0.02 -1.26 -1.93 113.55 115.16 2cfx h SER 83 Ca 0.07 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2cfx h SER 83 Cb 0.29 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 2cfx h SER 83 CO 0.00 0.04 -0.52 0.22 -1.14 0.00 0.00 176.83 175.44 2cfx h TYR 84 N 0.27 -1.45 -0.39 3.45 3.20 -1.23 -3.06 116.97 117.74 2cfx h TYR 84 Ca 0.27 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.24 2cfx h TYR 84 Cb 0.35 0.59 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2cfx h TYR 84 CO -0.22 -0.65 0.27 0.82 -1.64 0.00 0.00 178.16 176.74 2cfx h ILE 85 N -0.92 0.90 0.00 1.81 1.08 -0.65 -2.16 117.51 117.56 2cfx h ILE 85 Ca -0.04 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 2cfx h ILE 85 Cb 0.84 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 2cfx h ILE 85 CO -0.15 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.35 2cfx n GLN 86 N -4.46 0.88 -0.13 2.37 6.02 -0.74 -2.46 117.38 118.86 2cfx n GLN 86 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.17 2cfx n GLN 86 Cb 0.34 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.30 2cfx n GLN 86 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2cfx n THR 87 N -1.04 0.33 -4.12 5.09 -2.24 -0.81 -5.00 114.28 106.49 2cfx n THR 87 Ca 0.22 -0.64 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 2cfx n THR 87 Cb 0.12 1.09 -0.08 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.65 3.89 0.52 3.22 1.43 -1.03 -5.09 118.68 119.97 2cfx s LEU 88 Ca 0.35 0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 2cfx s LEU 88 Cb 0.22 -1.94 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 2cfx s LEU 88 CO 0.31 0.33 0.98 -2.16 0.23 0.00 0.00 176.35 176.04 2cfx s PRO 89 N -0.57 3.91 -0.27 1.29 0.04 -1.26 -4.42 135.00 133.72 2cfx s PRO 89 Ca 0.11 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2cfx s PRO 89 Cb -0.12 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2cfx s PRO 89 CO 0.02 -0.30 0.00 0.09 0.04 0.00 0.00 177.00 176.86 2cfx n ASN 90 N -1.70 -2.24 -4.30 6.66 3.02 -1.26 -4.93 115.26 110.52 2cfx n ASN 90 Ca 0.06 0.02 -0.46 0.00 -0.03 0.00 0.00 54.58 54.18 2cfx n ASN 90 Cb 0.54 -1.12 -0.05 0.00 -0.61 0.00 0.00 39.78 38.54 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 -2.14 5.17 0.39 2.41 -1.09 -1.26 -1.96 121.20 122.73 2cfx s ILE 91 Ca 0.00 -1.75 0.08 0.00 -2.23 0.00 0.00 60.65 56.75 2cfx s ILE 91 Cb 0.00 -4.30 0.19 0.00 -1.58 0.00 0.00 42.46 36.78 2cfx s ILE 91 CO 0.00 -0.89 1.96 -0.08 -1.23 0.00 0.00 174.94 174.70 2cfx h GLU 92 N 8.59 0.36 -2.32 2.79 4.81 -1.20 -3.46 114.58 124.15 2cfx h GLU 92 Ca -0.20 -0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2cfx h GLU 92 Cb 1.08 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 2cfx h GLU 92 CO 0.96 0.38 0.48 -0.59 -0.73 0.00 0.00 179.01 179.51 2cfx s PHE 93 N -5.00 -0.28 -0.25 0.92 -0.12 -1.24 -4.95 117.98 107.06 2cfx s PHE 93 Ca -0.07 0.08 -0.02 0.00 -0.05 0.00 0.00 56.93 56.88 2cfx s PHE 93 Cb 0.16 0.57 0.13 0.00 -0.63 0.00 0.00 43.02 43.26 2cfx s PHE 93 CO 0.73 -0.65 0.33 0.00 -0.05 0.00 0.00 175.22 175.59 2cfx s TYR 95 N 2.46 3.47 -0.10 0.00 1.51 0.79 -4.95 117.35 120.55 2cfx s TYR 95 Ca 0.10 0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 56.29 2cfx s TYR 95 Cb -0.15 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.57 2cfx s TYR 95 CO -0.22 0.42 1.06 0.50 -1.11 0.00 0.00 175.55 176.20 2cfx s ARG 96 N -0.05 4.40 0.15 -0.62 6.06 -1.26 -1.02 118.95 126.61 2cfx s ARG 96 Ca 0.11 1.46 0.07 0.00 -2.50 0.00 0.00 55.73 54.87 2cfx s ARG 96 Cb -0.12 -3.55 -0.04 0.00 0.06 0.00 0.00 34.95 31.30 2cfx s ARG 96 CO 0.00 -0.36 -0.16 0.96 -2.50 0.00 0.00 175.30 173.25 2cfx s ILE 97 N 2.10 1.56 0.78 4.11 -4.36 0.10 -4.97 121.20 120.52 2cfx s ILE 97 Ca 0.50 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 58.91 2cfx s ILE 97 Cb -0.20 -1.73 0.06 0.00 1.25 0.00 0.00 42.46 41.84 2cfx s ILE 97 CO 0.19 -0.41 1.08 0.00 0.24 0.00 0.00 174.94 176.04 2cfx s ALA 98 N -2.26 2.29 0.00 2.27 0.00 -1.26 -4.67 121.76 118.12 2cfx s ALA 98 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2cfx s ALA 98 Cb -0.04 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2cfx s ALA 98 CO 0.05 -1.66 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2cfx n GLY 99 N -1.84 0.50 0.10 0.00 0.00 -1.26 -4.68 105.19 98.01 2cfx n GLY 99 Ca 0.07 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.00 1.35 -1.95 4.61 0.00 -1.26 -4.89 120.51 117.37 2cfx n ALA 100 Ca 0.00 -0.78 -0.26 0.00 0.00 0.00 0.00 53.44 52.40 2cfx n ALA 100 Cb 0.00 -0.74 0.10 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.58 3.10 -0.21 0.00 0.00 -1.26 -4.99 121.76 115.82 2cfx s ALA 101 Ca -0.10 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.74 2cfx s ALA 101 Cb 0.08 -2.49 -0.21 0.00 0.00 0.00 0.00 23.12 20.50 2cfx s ALA 101 CO 0.81 -1.57 -0.02 0.00 0.00 0.00 0.00 175.76 174.98 2cfx s TYR 103 N -2.52 0.07 -0.09 0.00 1.51 -0.80 -0.72 117.35 114.80 2cfx s TYR 103 Ca -0.25 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 2cfx s TYR 103 Cb 0.08 -0.06 -0.03 0.00 -0.11 0.00 0.00 41.96 41.84 2cfx s TYR 103 CO 0.70 -0.09 -0.09 -1.64 -1.11 0.00 0.00 175.55 173.32 2cfx s MET 104 N -0.58 3.00 0.10 -0.62 -1.94 -0.19 -0.50 119.30 118.56 2cfx s MET 104 Ca -0.06 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.33 2cfx s MET 104 Cb -0.04 -2.62 -0.04 0.00 2.01 0.00 0.00 34.83 34.14 2cfx s MET 104 CO -0.00 0.49 -0.04 -0.48 -0.01 0.00 0.00 175.02 174.98 2cfx s LEU 105 N -0.36 2.38 -0.09 -0.03 0.05 -0.05 -0.15 118.68 120.44 2cfx s LEU 105 Ca 0.05 -1.05 0.03 0.00 0.05 0.00 0.00 54.13 53.21 2cfx s LEU 105 Cb -0.12 0.01 0.01 0.00 -2.05 0.00 0.00 46.19 44.04 2cfx s LEU 105 CO 0.02 -0.53 -0.19 -0.75 -0.55 0.00 0.00 176.35 174.36 2cfx s LYS 106 N -3.88 2.49 0.06 1.48 2.20 -0.85 -0.12 119.74 121.11 2cfx s LYS 106 Ca 0.14 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2cfx s LYS 106 Cb 0.06 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 2cfx s LYS 106 CO -0.04 0.08 -0.09 0.96 -0.36 0.00 0.00 175.35 175.90 2cfx s ILE 107 N 0.59 3.48 -0.06 5.43 -4.36 -0.74 -0.55 121.20 124.98 2cfx s ILE 107 Ca -0.15 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 2cfx s ILE 107 Cb -0.17 -2.58 -0.03 0.00 1.25 0.00 0.00 42.46 40.94 2cfx s ILE 107 CO 0.05 0.23 -0.07 0.20 0.24 0.00 0.00 174.94 175.59 2cfx s ASN 108 N -1.89 4.66 0.04 4.36 -0.87 -0.83 -1.30 114.94 119.12 2cfx s ASN 108 Ca 0.20 -0.02 -0.09 0.00 -1.57 0.00 0.00 52.86 51.37 2cfx s ASN 108 Cb -0.11 -1.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.95 2cfx s ASN 108 CO 0.11 0.36 0.19 0.00 -2.57 0.00 0.00 177.10 175.19 2cfx s ALA 109 N -0.83 -0.33 0.40 0.60 0.00 0.11 -4.83 121.76 116.89 2cfx s ALA 109 Ca 0.13 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.84 2cfx s ALA 109 Cb -0.11 0.28 0.82 0.00 0.00 0.00 0.00 23.12 24.11 2cfx s ALA 109 CO 0.02 -0.36 2.00 0.93 0.00 0.00 0.00 175.76 178.35 2cfx h GLU 110 N 3.46 0.46 -2.51 0.00 5.08 -1.86 -2.69 114.58 116.52 2cfx h GLU 110 Ca -0.32 -0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.13 2cfx h GLU 110 Cb 1.19 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 2cfx h GLU 110 CO 0.49 0.38 0.42 -1.54 -1.00 0.00 0.00 179.01 177.76 2cfx s SER 111 N -6.75 -0.21 0.40 1.42 1.04 -1.26 -4.23 113.70 104.11 2cfx s SER 111 Ca -0.07 -0.43 0.15 0.00 0.48 0.00 0.00 55.95 56.07 2cfx s SER 111 Cb 0.17 0.54 1.00 0.00 0.10 0.00 0.00 66.02 67.83 2cfx s SER 111 CO 0.74 -1.00 1.85 -0.07 0.98 0.00 0.00 173.24 175.74 2cfx h LEU 112 N 2.00 0.49 -1.00 2.42 3.38 -1.97 -1.23 115.31 119.40 2cfx h LEU 112 Ca -0.23 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2cfx h LEU 112 Cb 1.24 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2cfx h LEU 112 CO 0.25 0.21 -0.13 -0.08 0.09 0.00 0.00 178.44 178.78 2cfx h GLU 113 N 0.49 0.57 0.00 1.13 4.81 -1.99 -2.34 114.58 117.25 2cfx h GLU 113 Ca 0.47 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 2cfx h GLU 113 Cb 1.04 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2cfx h GLU 113 CO -0.20 0.69 -0.53 0.00 -0.73 0.00 0.00 179.01 178.24 2cfx h ALA 114 N 1.34 1.08 -0.06 2.92 0.00 -1.63 -1.44 119.26 121.47 2cfx h ALA 114 Ca 0.09 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2cfx h ALA 114 Cb 0.53 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cfx h ALA 114 CO 0.03 0.67 -0.01 0.28 0.00 0.00 0.00 179.25 180.22 2cfx h VAL 115 N 0.00 1.28 -0.21 0.00 2.07 -1.24 -0.88 116.25 117.28 2cfx h VAL 115 Ca -0.01 -0.88 0.05 0.00 0.82 0.00 0.00 66.70 66.68 2cfx h VAL 115 Cb 0.97 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 2cfx h VAL 115 CO 0.07 0.24 -0.11 -0.08 0.02 0.00 0.00 177.57 177.72 2cfx h GLU 116 N -0.22 -0.08 -0.66 1.57 4.81 -1.29 0.44 114.58 119.15 2cfx h GLU 116 Ca 0.02 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 2cfx h GLU 116 Cb 0.39 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.69 2cfx h GLU 116 CO 0.01 -0.05 0.17 -0.44 -0.73 0.00 0.00 179.01 177.97 2cfx h ASP 117 N -0.08 0.06 -0.39 1.04 3.32 -1.27 -0.15 116.42 118.95 2cfx h ASP 117 Ca 0.12 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.30 2cfx h ASP 117 Cb 0.25 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2cfx h ASP 117 CO -0.27 0.02 0.24 0.15 -1.72 0.00 0.00 179.24 177.66 2cfx h PHE 118 N 0.30 0.45 -0.21 4.55 3.57 -0.11 -0.10 116.94 125.39 2cfx h PHE 118 Ca 0.36 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 2cfx h PHE 118 Cb 0.55 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2cfx h PHE 118 CO -0.23 0.27 0.09 0.82 -2.23 0.00 0.00 178.31 177.02 2cfx h ILE 119 N 0.48 1.16 -0.42 1.41 2.04 0.36 -0.41 117.51 122.12 2cfx h ILE 119 Ca 0.15 -0.47 0.07 0.00 1.00 0.00 0.00 64.86 65.61 2cfx h ILE 119 Cb -0.01 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2cfx h ILE 119 CO -0.06 0.16 0.06 0.78 0.00 0.00 0.00 178.15 179.08 2cfx h ASN 120 N 0.19 -0.05 0.50 1.72 4.21 -0.86 -0.76 115.58 120.54 2cfx h ASN 120 Ca 0.07 0.08 -0.04 0.00 1.21 0.00 0.00 56.30 57.63 2cfx h ASN 120 Cb 0.16 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 2cfx h ASN 120 CO -0.01 0.01 -0.17 0.11 -1.29 0.00 0.00 177.43 176.08 2cfx h LYS 121 N 0.18 0.00 0.00 0.81 6.56 -0.71 -3.19 116.57 120.23 2cfx h LYS 121 Ca 0.21 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.74 2cfx h LYS 121 Cb 0.27 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.92 2cfx h LYS 121 CO -0.29 0.17 -0.96 0.00 -2.06 0.00 0.00 179.45 176.31 2cfx h THR 122 N 0.00 0.22 -0.99 -0.16 1.03 0.29 -3.38 112.91 109.92 2cfx h THR 122 Ca -0.00 -1.40 0.22 0.00 -0.01 0.00 0.00 66.41 65.22 2cfx h THR 122 Cb 0.47 1.80 -0.09 0.00 -1.07 0.00 0.00 68.15 69.25 2cfx h THR 122 CO 0.02 0.13 0.63 0.28 -0.01 0.00 0.00 175.52 176.57 2cfx h SER 123 N 0.00 0.58 -0.04 0.00 0.02 -1.22 -0.75 113.55 112.13 2cfx h SER 123 Ca -0.05 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2cfx h SER 123 Cb 1.21 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 2cfx h SER 123 CO 0.02 0.18 0.09 -0.65 -1.14 0.00 0.00 176.83 175.33 2cfx h PRO 124 N 0.55 0.00 0.00 3.45 0.11 -1.79 -3.30 132.00 131.02 2cfx h PRO 124 Ca 0.56 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.35 2cfx h PRO 124 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2cfx h PRO 124 CO -0.31 0.00 -2.20 0.66 -0.21 0.00 0.00 178.00 175.93 2cfx n TYR 125 N -3.43 0.00 -3.63 0.65 4.02 -0.33 -4.87 117.16 109.58 2cfx n TYR 125 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 2cfx n TYR 125 Cb 0.17 -0.85 -0.07 0.00 -0.02 0.00 0.00 39.34 38.57 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 -2.42 -1.42 0.53 -0.72 0.00 -0.98 -1.30 121.76 115.44 2cfx s ALA 126 Ca -0.15 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 2cfx s ALA 126 Cb 0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 2cfx s ALA 126 CO 0.64 -0.31 1.07 -0.65 0.00 0.00 0.00 175.76 176.52 2cfx s GLN 127 N -0.70 3.56 0.01 0.00 -0.21 0.84 -3.92 119.66 119.24 2cfx s GLN 127 Ca -0.08 1.42 0.02 0.00 0.02 0.00 0.00 55.36 56.74 2cfx s GLN 127 Cb -0.03 -2.05 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 2cfx s GLN 127 CO 0.05 -0.64 -0.08 0.95 -2.12 0.00 0.00 175.29 173.46 2cfx s THR 128 N -2.00 0.58 -0.20 -0.19 -4.23 -1.26 0.37 115.64 108.71 2cfx s THR 128 Ca 0.68 -0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 2cfx s THR 128 Cb -0.19 -0.54 0.00 0.00 1.34 0.00 0.00 72.50 73.11 2cfx s THR 128 CO 0.25 -0.03 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.51 2cfx s VAL 129 N -0.60 2.94 -0.24 2.29 1.01 -0.51 -4.96 120.40 120.34 2cfx s VAL 129 Ca -0.01 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2cfx s VAL 129 Cb -0.05 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 2cfx s VAL 129 CO 0.00 0.47 0.13 -0.89 0.00 0.00 0.00 175.10 174.81 2cfx s THR 130 N 1.35 5.08 -0.31 3.92 2.01 -1.26 -1.48 115.64 124.94 2cfx s THR 130 Ca 0.04 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 2cfx s THR 130 Cb -0.14 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.05 2cfx s THR 130 CO -0.06 0.35 0.04 -1.00 -0.69 0.00 0.00 174.62 173.26 2cfx s HIS 131 N 1.12 3.27 0.12 4.92 3.76 0.17 -4.99 115.29 123.66 2cfx s HIS 131 Ca 0.06 -1.75 -0.31 0.00 -0.15 0.00 0.00 55.06 52.91 2cfx s HIS 131 Cb -0.14 -2.19 -0.08 0.00 1.11 0.00 0.00 32.58 31.29 2cfx s HIS 131 CO 0.05 -0.79 1.37 0.08 -0.85 0.00 0.00 174.74 174.60 2cfx s VAL 132 N 1.29 3.33 -0.14 -0.90 1.01 -1.26 -0.32 120.40 123.42 2cfx s VAL 132 Ca -0.04 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2cfx s VAL 132 Cb -0.20 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2cfx s VAL 132 CO 0.00 0.08 1.02 -0.63 0.00 0.00 0.00 175.10 175.57 2cfx s ILE 133 N 0.99 4.75 -0.13 2.22 1.01 -0.54 -4.91 121.20 124.59 2cfx s ILE 133 Ca 0.63 2.03 -0.23 0.00 0.00 0.00 0.00 60.65 63.09 2cfx s ILE 133 Cb -0.36 -4.31 -0.26 0.00 0.01 0.00 0.00 42.46 37.54 2cfx s ILE 133 CO 0.31 -0.04 0.63 -0.26 0.00 0.00 0.00 174.94 175.58 2cfx h PHE 134 N 7.20 0.21 -2.53 3.97 0.05 -1.94 -3.43 116.94 120.48 2cfx h PHE 134 Ca -0.28 -0.16 0.14 0.00 3.82 0.00 0.00 57.97 61.50 2cfx h PHE 134 Cb 1.12 -0.01 -0.05 0.00 2.00 0.00 0.00 35.95 39.02 2cfx h PHE 134 CO 0.72 1.29 0.50 -1.54 -0.18 0.00 0.00 178.31 179.11 2cfx s SER 135 N -6.69 -0.06 -0.00 2.17 1.04 -1.26 -5.15 113.70 103.74 2cfx s SER 135 Ca -0.20 -0.64 0.04 0.00 0.48 0.00 0.00 55.95 55.63 2cfx s SER 135 Cb 0.01 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 2cfx s SER 135 CO 0.72 -1.06 -0.12 -0.70 0.98 0.00 0.00 173.24 173.06 2cfx s GLU 136 N -2.62 0.96 -0.13 4.02 2.12 -1.26 -5.13 118.70 116.66 2cfx s GLU 136 Ca 0.17 -0.48 -0.20 0.00 0.36 0.00 0.00 54.97 54.82 2cfx s GLU 136 Cb -0.03 -0.94 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 2cfx s GLU 136 CO 0.05 0.25 0.57 0.42 -0.54 0.00 0.00 175.26 176.02 2cfx s ILE 137 N -0.38 5.10 -0.02 -3.70 1.01 -1.26 -5.05 121.20 116.90 2cfx s ILE 137 Ca 0.04 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 2cfx s ILE 137 Cb -0.05 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.45 2cfx s ILE 137 CO -0.00 0.24 1.61 -1.81 0.00 0.00 0.00 174.94 174.98 2cfx s ASP 138 N 0.86 6.69 -0.09 3.58 1.01 -1.26 -4.89 116.67 122.56 2cfx s ASP 138 Ca 0.29 2.26 0.12 0.00 0.71 0.00 0.00 52.55 55.93 2cfx s ASP 138 Cb -0.16 -2.54 -0.17 0.00 1.01 0.00 0.00 42.92 41.05 2cfx s ASP 138 CO 0.12 -0.88 0.13 0.35 0.21 0.00 0.00 175.17 175.10 2cfx n THR 139 N 5.19 0.57 1.87 -1.27 -2.24 -1.26 -5.38 114.28 111.76 2cfx n THR 139 Ca 0.16 -0.46 0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2cfx n THR 139 Cb 0.42 -0.38 0.89 0.00 -2.10 0.00 0.00 70.33 69.16 2cfx n THR 139 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79