#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qfn h PHE 2 N 0.00 -0.14 -0.49 1.61 3.57 -1.99 -0.31 116.94 119.19 2qfn h PHE 2 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2qfn h PHE 2 Cb 0.00 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2qfn h PHE 2 CO 0.00 -0.14 0.32 0.87 -2.23 0.00 0.00 178.31 177.13 2qfn h LYS 3 N 0.03 0.63 -0.77 1.11 1.79 -2.00 -1.31 116.57 116.05 2qfn h LYS 3 Ca 0.19 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2qfn h LYS 3 Cb 0.28 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 2qfn h LYS 3 CO -0.37 0.42 0.45 0.37 -1.08 0.00 0.00 179.45 179.24 2qfn h GLN 4 N 0.65 1.04 -0.98 3.15 5.75 -1.88 -2.50 115.11 120.33 2qfn h GLN 4 Ca 0.19 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.65 2qfn h GLN 4 Cb -0.05 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 28.22 2qfn h GLN 4 CO -0.05 0.74 0.64 -0.44 -2.65 0.00 0.00 178.83 177.06 2qfn h ASP 5 N 1.06 1.01 -0.99 -0.69 3.45 0.05 0.25 116.42 120.56 2qfn h ASP 5 Ca 0.27 0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.75 2qfn h ASP 5 Cb -0.02 -0.21 -0.05 0.00 -0.56 0.00 0.00 39.33 38.49 2qfn h ASP 5 CO -0.05 0.65 0.65 0.40 -1.57 0.00 0.00 179.24 179.31 2qfn h ILE 6 N 1.15 1.26 -0.53 0.35 2.04 -0.93 -0.53 117.51 120.31 2qfn h ILE 6 Ca 0.42 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 2qfn h ILE 6 Cb 0.17 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 2qfn h ILE 6 CO -0.16 0.25 -0.11 0.00 0.00 0.00 0.00 178.15 178.12 2qfn h ALA 7 N 1.36 0.80 -0.06 1.87 0.00 -0.87 0.18 119.26 122.53 2qfn h ALA 7 Ca 0.36 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qfn h ALA 7 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2qfn h ALA 7 CO -0.08 0.67 -0.04 1.15 0.00 0.00 0.00 179.25 180.95 2qfn h THR 8 N 0.89 0.87 -0.09 0.00 2.02 -0.07 -0.76 112.91 115.77 2qfn h THR 8 Ca 0.14 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 2qfn h THR 8 Cb 0.67 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2qfn h THR 8 CO 0.05 0.00 -0.03 0.40 0.37 0.00 0.00 175.52 176.31 2qfn h ILE 9 N -0.04 1.30 -0.74 3.11 2.04 -1.03 -2.97 117.51 119.17 2qfn h ILE 9 Ca 0.04 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.00 2qfn h ILE 9 Cb 0.10 1.75 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 2qfn h ILE 9 CO -0.09 0.27 0.49 0.03 0.00 0.00 0.00 178.15 178.84 2qfn h ARG 10 N -0.15 0.74 -0.81 2.37 3.08 -0.90 -0.51 114.38 118.21 2qfn h ARG 10 Ca 0.02 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2qfn h ARG 10 Cb 0.44 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2qfn h ARG 10 CO 0.01 0.49 0.53 0.78 -1.07 0.00 0.00 179.97 180.72 2qfn h GLY 11 N 0.77 1.14 -5.46 0.04 0.00 -0.97 -3.05 103.07 95.54 2qfn h GLY 11 Ca 0.32 -0.41 -0.50 0.00 0.00 0.00 0.00 47.33 46.74 2qfn h GLY 11 CO -0.11 0.38 -0.99 1.34 0.00 0.00 0.00 176.54 177.16 2qfn n ASP 12 N -4.43 2.39 -0.16 0.19 2.03 -0.91 -4.97 116.55 110.68 2qfn n ASP 12 Ca 0.10 -3.22 -0.03 0.00 0.52 0.00 0.00 54.79 52.16 2qfn n ASP 12 Cb 0.07 -0.57 0.07 0.00 -0.72 0.00 0.00 41.12 39.96 2qfn n ASP 12 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2qfn h LEU 13 N 2.95 0.21 -0.37 -2.67 6.46 -1.00 -2.14 115.31 118.74 2qfn h LEU 13 Ca 0.09 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 2qfn h LEU 13 Cb 0.87 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.77 2qfn h LEU 13 CO 0.63 0.15 -0.09 0.03 -0.62 0.00 0.00 178.44 178.54 2qfn h ARG 14 N 0.38 0.01 -0.04 1.25 2.47 -1.90 0.32 114.38 116.86 2qfn h ARG 14 Ca 0.24 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 2qfn h ARG 14 Cb 0.25 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2qfn h ARG 14 CO -0.24 0.00 -0.00 1.15 0.56 0.00 0.00 179.97 181.45 2qfn h THR 15 N 0.01 1.25 -0.32 2.04 2.02 -1.83 -1.41 112.91 114.67 2qfn h THR 15 Ca 0.18 -0.76 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 2qfn h THR 15 Cb 0.27 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2qfn h THR 15 CO -0.38 0.20 -0.03 1.88 0.37 0.00 0.00 175.52 177.57 2qfn h TYR 16 N -0.24 0.64 -0.46 3.16 0.05 -1.28 -0.19 116.97 118.65 2qfn h TYR 16 Ca 0.01 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.71 2qfn h TYR 16 Cb 0.33 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 2qfn h TYR 16 CO 0.03 0.73 0.21 0.00 -1.05 0.00 0.00 178.16 178.08 2qfn h ALA 17 N 0.83 0.57 -0.27 3.88 0.00 -0.39 0.15 119.26 124.04 2qfn h ALA 17 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2qfn h ALA 17 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2qfn h ALA 17 CO 0.02 -0.15 -0.22 1.96 0.00 0.00 0.00 179.25 180.86 2qfn h GLN 18 N 0.43 0.64 -0.01 0.00 4.20 -1.15 -1.57 115.11 117.63 2qfn h GLN 18 Ca 0.20 -0.32 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2qfn h GLN 18 Cb 0.14 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2qfn h GLN 18 CO -0.16 0.91 -0.10 -0.44 -0.67 0.00 0.00 178.83 178.37 2qfn h ASP 19 N 0.37 -0.29 -0.28 1.46 5.19 -0.78 -0.70 116.42 121.39 2qfn h ASP 19 Ca 0.05 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.39 2qfn h ASP 19 Cb 0.77 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 2qfn h ASP 19 CO 0.06 -0.14 -0.27 0.40 -3.12 0.00 0.00 179.24 176.16 2qfn h ILE 20 N -0.16 1.30 -0.61 0.35 2.04 -0.97 0.26 117.51 119.72 2qfn h ILE 20 Ca 0.04 -1.44 0.02 0.00 1.00 0.00 0.00 64.86 64.48 2qfn h ILE 20 Cb 0.22 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2qfn h ILE 20 CO -0.11 0.46 0.39 0.15 0.00 0.00 0.00 178.15 179.03 2qfn h PHE 21 N 0.41 0.73 -0.62 1.37 3.57 -1.20 0.36 116.94 121.56 2qfn h PHE 21 Ca 0.04 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2qfn h PHE 21 Cb 0.84 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 2qfn h PHE 21 CO 0.07 0.44 0.07 -0.07 -2.23 0.00 0.00 178.31 176.59 2qfn h LEU 22 N 0.77 1.00 -0.59 0.59 3.38 -0.99 -1.12 115.31 118.35 2qfn h LEU 22 Ca 0.23 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2qfn h LEU 22 Cb -0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 2qfn h LEU 22 CO -0.08 1.01 0.30 0.00 0.09 0.00 0.00 178.44 179.76 2qfn h ALA 23 N 1.10 0.77 0.05 1.53 0.00 -0.33 0.10 119.26 122.47 2qfn h ALA 23 Ca 0.19 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 2qfn h ALA 23 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qfn h ALA 23 CO 0.02 -0.05 -0.08 0.35 0.00 0.00 0.00 179.25 179.48 2qfn h PHE 24 N 0.56 -0.21 -0.20 0.00 3.57 -0.45 -0.62 116.94 119.59 2qfn h PHE 24 Ca 0.27 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.68 2qfn h PHE 24 Cb 0.20 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2qfn h PHE 24 CO -0.10 -0.13 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.51 2qfn h LEU 25 N -0.16 0.39 -0.18 0.59 3.38 -0.92 -1.39 115.31 117.01 2qfn h LEU 25 Ca 0.02 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.63 2qfn h LEU 25 Cb 0.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2qfn h LEU 25 CO -0.05 0.65 -0.95 0.78 0.09 0.00 0.00 178.44 178.97 2qfn h ASN 26 N 0.34 0.49 0.14 -0.43 2.35 -0.67 -2.46 115.58 115.34 2qfn h ASN 26 Ca 0.05 -0.40 -0.18 0.00 -0.55 0.00 0.00 56.30 55.22 2qfn h ASN 26 Cb 0.66 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 2qfn h ASN 26 CO 0.05 1.20 -0.65 0.50 -1.65 0.00 0.00 177.43 176.88 2qfn h LYS 27 N 0.21 0.49 -2.29 0.81 3.64 -0.98 -3.36 116.57 115.07 2qfn h LYS 27 Ca -0.08 -0.36 -0.59 0.00 -1.27 0.00 0.00 60.65 58.35 2qfn h LYS 27 Cb 1.58 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 33.05 2qfn h LYS 27 CO 0.16 0.98 -0.73 0.66 -2.27 0.00 0.00 179.45 178.25 2qfn n TYR 28 N -3.90 2.39 0.17 1.91 4.01 -0.54 -4.98 117.16 116.22 2qfn n TYR 28 Ca -0.04 -3.99 0.17 0.00 -0.16 0.00 0.00 57.90 53.88 2qfn n TYR 28 Cb 0.66 -0.47 0.78 0.00 -0.31 0.00 0.00 39.34 40.01 2qfn n TYR 28 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2qfn h PRO 29 N 4.41 0.00 0.00 -0.72 0.13 -1.61 0.47 132.00 134.68 2qfn h PRO 29 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2qfn h PRO 29 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2qfn h PRO 29 CO 0.70 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 178.69 2qfn h ASP 30 N 0.00 0.00 1.16 1.44 3.58 -1.94 -2.14 116.42 118.53 2qfn h ASP 30 Ca 0.11 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 2qfn h ASP 30 Cb 0.58 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2qfn h ASP 30 CO -0.00 0.00 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.02 2qfn h GLU 31 N 0.00 0.00 0.00 0.28 4.39 -1.22 -3.20 114.58 114.83 2qfn h GLU 31 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2qfn h GLU 31 Cb 0.29 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2qfn h GLU 31 CO 0.00 0.01 -0.09 -0.09 -1.16 0.00 0.00 179.01 177.67 2qfn h ARG 32 N 0.00 0.00 -0.65 2.33 2.43 -1.54 -2.68 114.38 114.27 2qfn h ARG 32 Ca -0.00 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 2qfn h ARG 32 Cb 0.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2qfn h ARG 32 CO 0.00 0.09 0.55 0.00 -1.51 0.00 0.00 179.97 179.10 2qfn h ARG 33 N 0.00 0.00 0.00 0.20 3.08 -1.76 0.10 114.38 116.00 2qfn h ARG 33 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qfn h ARG 33 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2qfn h ARG 33 CO 0.01 0.00 0.00 1.88 -1.07 0.00 0.00 179.97 180.79 2qfn h TYR 34 N 0.00 0.00 -2.77 3.04 0.05 -1.74 -3.35 116.97 112.21 2qfn h TYR 34 Ca 0.31 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.48 2qfn h TYR 34 Cb 1.40 0.00 -0.42 0.00 1.01 0.00 0.00 36.73 38.72 2qfn h TYR 34 CO 0.00 0.00 -0.59 1.19 -1.05 0.00 0.00 178.16 177.71 2qfn n PHE 35 N -2.32 3.27 0.27 4.88 3.01 0.36 -4.96 117.46 121.97 2qfn n PHE 35 Ca 0.03 -4.24 0.13 0.00 1.01 0.00 0.00 57.45 54.39 2qfn n PHE 35 Cb 0.32 -0.58 0.75 0.00 -0.01 0.00 0.00 39.48 39.96 2qfn n PHE 35 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2qfn h LYS 36 N 4.97 0.00 0.00 -1.08 2.10 -1.73 -0.05 116.57 120.78 2qfn h LYS 36 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2qfn h LYS 36 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 2qfn h LYS 36 CO 0.75 0.10 0.00 -1.71 -2.00 0.00 0.00 179.45 176.59 2qfn n ASN 37 N -3.70 0.75 -0.40 7.07 2.85 -1.26 -3.07 115.26 117.50 2qfn n ASN 37 Ca -0.02 0.64 0.11 0.00 -0.11 0.00 0.00 54.58 55.20 2qfn n ASN 37 Cb 0.21 -0.82 0.03 0.00 1.24 0.00 0.00 39.78 40.44 2qfn n ASN 37 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2qfn n TYR 38 N -2.28 0.00 -1.84 1.20 4.01 -0.03 -4.94 117.16 113.27 2qfn n TYR 38 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.36 2qfn n TYR 38 Cb 0.30 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 2qfn n TYR 38 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qfn s VAL 39 N -2.56 2.30 -0.30 -0.72 1.01 -1.18 -2.95 120.40 116.01 2qfn s VAL 39 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2qfn s VAL 39 Cb 0.18 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.41 2qfn s VAL 39 CO 0.61 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2qfn n GLY 40 N 3.16 0.53 3.21 4.51 0.00 -1.26 -5.03 105.19 110.31 2qfn n GLY 40 Ca 0.12 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 2qfn n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qfn s LYS 41 N -2.67 2.69 0.95 1.61 -0.14 -1.15 -5.12 119.74 115.91 2qfn s LYS 41 Ca 0.00 -0.82 -0.13 0.00 -1.36 0.00 0.00 55.97 53.66 2qfn s LYS 41 Cb 0.00 -2.12 0.16 0.00 -1.68 0.00 0.00 37.83 34.19 2qfn s LYS 41 CO 0.00 0.22 1.13 -1.54 -0.76 0.00 0.00 175.35 174.40 2qfn s SER 42 N 0.21 3.14 0.18 2.83 1.04 -1.26 -4.80 113.70 115.05 2qfn s SER 42 Ca -0.13 1.01 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 2qfn s SER 42 Cb -0.16 -1.60 0.17 0.00 0.10 0.00 0.00 66.02 64.53 2qfn s SER 42 CO 0.07 -2.79 1.74 0.44 0.98 0.00 0.00 173.24 173.68 2qfn h ASP 43 N -1.66 0.10 0.10 7.02 3.45 -2.00 -1.25 116.42 122.18 2qfn h ASP 43 Ca -0.52 0.07 -0.16 0.00 0.43 0.00 0.00 57.03 56.85 2qfn h ASP 43 Cb 1.33 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 40.17 2qfn h ASP 43 CO 0.60 0.09 -0.57 -0.61 -1.57 0.00 0.00 179.24 177.18 2qfn h GLN 44 N 0.30 0.49 -0.63 3.56 5.75 -1.99 -2.66 115.11 119.92 2qfn h GLN 44 Ca 0.23 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2qfn h GLN 44 Cb 0.27 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2qfn h GLN 44 CO -0.27 0.93 0.38 0.93 -2.65 0.00 0.00 178.83 178.15 2qfn h GLU 45 N 0.37 0.86 -0.59 1.69 5.08 -1.79 -2.87 114.58 117.34 2qfn h GLU 45 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2qfn h GLU 45 Cb 1.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2qfn h GLU 45 CO 0.10 0.62 0.30 -0.07 -1.00 0.00 0.00 179.01 178.97 2qfn h LEU 46 N 0.86 0.74 0.00 1.33 3.38 -1.05 -2.87 115.31 117.70 2qfn h LEU 46 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qfn h LEU 46 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2qfn h LEU 46 CO -0.04 0.62 0.00 0.29 0.09 0.00 0.00 178.44 179.39 2qfn n LYS 47 N -4.37 0.12 -0.14 1.13 5.02 -1.02 -1.41 118.16 117.49 2qfn n LYS 47 Ca 0.05 0.21 0.05 0.00 -2.02 0.00 0.00 58.31 56.60 2qfn n LYS 47 Cb 0.11 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.75 2qfn n LYS 47 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qfn n SER 48 N -1.31 2.71 -4.63 4.39 3.41 -1.08 -4.93 113.62 112.18 2qfn n SER 48 Ca 0.04 -1.94 -0.37 0.00 -0.26 0.00 0.00 58.87 56.34 2qfn n SER 48 Cb 0.08 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 2qfn n SER 48 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qfn s MET 49 N -0.98 4.03 0.22 4.33 -1.94 -0.50 -4.99 119.30 119.47 2qfn s MET 49 Ca 0.20 -0.27 -0.07 0.00 -1.71 0.00 0.00 55.69 53.83 2qfn s MET 49 Cb 0.10 -3.58 0.32 0.00 2.01 0.00 0.00 34.83 33.68 2qfn s MET 49 CO 0.14 -0.03 1.79 0.00 -0.01 0.00 0.00 175.02 176.90 2qfn h ALA 50 N 7.83 0.97 -0.60 3.03 0.00 -1.93 -1.25 119.26 127.31 2qfn h ALA 50 Ca -0.37 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2qfn h ALA 50 Cb 1.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2qfn h ALA 50 CO 0.62 -0.02 0.20 -0.22 0.00 0.00 0.00 179.25 179.83 2qfn h LYS 51 N 0.63 0.89 0.14 0.00 1.63 -1.94 0.01 116.57 117.93 2qfn h LYS 51 Ca 0.34 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 2qfn h LYS 51 Cb 0.34 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2qfn h LYS 51 CO -0.25 0.76 -0.07 0.35 -3.45 0.00 0.00 179.45 176.79 2qfn h PHE 52 N 0.87 -0.17 -0.44 1.91 3.57 -1.50 0.41 116.94 121.60 2qfn h PHE 52 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2qfn h PHE 52 Cb 0.23 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2qfn h PHE 52 CO 0.02 -0.05 0.24 0.78 -2.23 0.00 0.00 178.31 177.06 2qfn h GLY 53 N -0.26 0.61 0.94 2.40 0.00 -1.29 -1.24 103.07 104.23 2qfn h GLY 53 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 2qfn h GLY 53 CO 0.03 0.13 0.16 -1.80 0.00 0.00 0.00 176.54 175.07 2qfn h ASP 54 N 0.48 0.46 0.40 0.19 3.58 -0.85 -1.21 116.42 119.46 2qfn h ASP 54 Ca 0.18 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2qfn h ASP 54 Cb 0.06 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2qfn h ASP 54 CO -0.11 0.46 -0.19 -0.74 -2.88 0.00 0.00 179.24 175.78 2qfn h HIS 55 N 0.42 -0.50 -0.71 0.28 2.76 0.03 -0.58 115.15 116.85 2qfn h HIS 55 Ca 0.12 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2qfn h HIS 55 Cb 0.13 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 2qfn h HIS 55 CO -0.01 -0.31 0.33 1.79 -1.30 0.00 0.00 177.93 178.42 2qfn h THR 56 N -0.54 1.24 -0.21 6.26 1.35 -1.21 0.37 112.91 120.17 2qfn h THR 56 Ca -0.05 -0.68 0.02 0.00 -0.55 0.00 0.00 66.41 65.14 2qfn h THR 56 Cb 0.41 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.19 2qfn h THR 56 CO 0.09 0.28 0.07 -0.08 -0.25 0.00 0.00 175.52 175.63 2qfn h GLU 57 N 0.99 0.17 -0.63 4.72 4.81 -1.08 -0.98 114.58 122.58 2qfn h GLU 57 Ca 0.24 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2qfn h GLU 57 Cb 0.14 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2qfn h GLU 57 CO -0.03 0.11 0.10 0.87 -0.73 0.00 0.00 179.01 179.34 2qfn h LYS 58 N 0.17 1.04 0.07 1.92 1.57 -0.57 0.01 116.57 120.78 2qfn h LYS 58 Ca 0.09 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2qfn h LYS 58 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2qfn h LYS 58 CO -0.09 0.96 -0.04 0.28 -0.57 0.00 0.00 179.45 180.00 2qfn h VAL 59 N 0.95 0.96 0.00 0.50 2.07 -0.82 -1.80 116.25 118.11 2qfn h VAL 59 Ca 0.19 -0.11 -0.16 0.00 0.82 0.00 0.00 66.70 67.44 2qfn h VAL 59 Cb 0.43 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2qfn h VAL 59 CO 0.01 0.03 -0.77 -0.26 0.02 0.00 0.00 177.57 176.60 2qfn h PHE 60 N -0.15 0.00 -0.09 1.57 0.04 -1.05 -0.13 116.94 117.14 2qfn h PHE 60 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 2qfn h PHE 60 Cb 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 2qfn h PHE 60 CO -0.06 0.77 0.06 -0.91 -0.60 0.00 0.00 178.31 177.57 2qfn h ASN 61 N 0.00 0.10 -0.62 2.17 2.35 -0.96 0.00 115.58 118.62 2qfn h ASN 61 Ca -0.01 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2qfn h ASN 61 Cb 1.41 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.73 2qfn h ASN 61 CO 0.10 0.10 0.41 0.25 -1.65 0.00 0.00 177.43 176.63 2qfn h LEU 62 N 0.10 0.70 -1.01 1.61 5.85 -1.13 -1.54 115.31 119.89 2qfn h LEU 62 Ca 0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2qfn h LEU 62 Cb 0.01 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2qfn h LEU 62 CO -0.01 0.51 0.67 -0.03 -0.34 0.00 0.00 178.44 179.24 2qfn h MET 63 N 0.83 1.32 -0.21 1.25 4.05 -0.83 -0.96 114.93 120.38 2qfn h MET 63 Ca 0.23 -0.08 -0.10 0.00 -0.28 0.00 0.00 59.70 59.48 2qfn h MET 63 Cb -0.08 -0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 30.41 2qfn h MET 63 CO -0.06 0.87 -0.29 0.52 0.23 0.00 0.00 176.91 178.19 2qfn h MET 64 N 1.36 0.40 -0.13 0.39 2.86 -0.67 0.90 114.93 120.05 2qfn h MET 64 Ca 0.37 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2qfn h MET 64 Cb -0.15 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2qfn h MET 64 CO -0.08 0.66 0.06 0.93 1.06 0.00 0.00 176.91 179.54 2qfn h GLU 65 N 0.35 0.18 -0.49 1.72 4.39 -0.51 0.17 114.58 120.40 2qfn h GLU 65 Ca 0.05 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2qfn h GLU 65 Cb 0.69 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 2qfn h GLU 65 CO 0.05 0.24 0.20 0.28 -1.16 0.00 0.00 179.01 178.63 2qfn h VAL 66 N 0.08 1.21 -0.49 3.13 2.07 -1.04 -1.03 116.25 120.17 2qfn h VAL 66 Ca 0.04 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2qfn h VAL 66 Cb 0.12 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 2qfn h VAL 66 CO -0.01 0.24 0.31 0.00 0.02 0.00 0.00 177.57 178.13 2qfn h ALA 67 N 1.05 0.63 -0.10 1.67 0.00 -0.68 -1.60 119.26 120.23 2qfn h ALA 67 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2qfn h ALA 67 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2qfn h ALA 67 CO -0.01 0.02 -0.33 0.22 0.00 0.00 0.00 179.25 179.14 2qfn h ASP 68 N 0.62 0.20 1.26 0.00 3.58 -0.20 -2.66 116.42 119.21 2qfn h ASP 68 Ca 0.19 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2qfn h ASP 68 Cb -0.01 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2qfn h ASP 68 CO -0.07 0.53 -0.24 0.03 -2.88 0.00 0.00 179.24 176.60 2qfn h ARG 69 N 0.17 0.00 -7.22 0.28 3.08 -0.95 -3.46 114.38 106.29 2qfn h ARG 69 Ca 0.02 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.55 2qfn h ARG 69 Cb 0.67 0.00 0.15 0.00 0.08 0.00 0.00 29.97 30.88 2qfn h ARG 69 CO 0.05 0.00 0.34 0.00 -1.07 0.00 0.00 179.97 179.29 2qfn s ALA 70 N -3.13 2.05 -0.15 0.04 0.00 -0.62 -4.65 121.76 115.29 2qfn s ALA 70 Ca 0.09 0.69 0.01 0.00 0.00 0.00 0.00 51.96 52.75 2qfn s ALA 70 Cb 0.12 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2qfn s ALA 70 CO 0.65 -1.96 -0.17 0.99 0.00 0.00 0.00 175.76 175.26 2qfn s THR 71 N -2.30 2.56 -1.61 0.00 2.01 -0.47 -4.70 115.64 111.14 2qfn s THR 71 Ca 0.70 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 2qfn s THR 71 Cb -0.25 -2.07 0.10 0.00 0.01 0.00 0.00 72.50 70.30 2qfn s THR 71 CO 0.49 0.52 0.65 0.47 -0.69 0.00 0.00 174.62 176.06 2qfn n ASP 72 N 3.96 -2.26 -0.96 3.53 8.00 -1.26 0.03 116.55 127.59 2qfn n ASP 72 Ca -0.19 -1.02 -0.13 0.00 0.71 0.00 0.00 54.79 54.17 2qfn n ASP 72 Cb 0.52 -2.81 -0.05 0.00 -0.02 0.00 0.00 41.12 38.75 2qfn n ASP 72 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2qfn n SER 73 N -2.77 -4.78 -4.44 -2.24 7.64 -1.26 -4.98 113.62 100.79 2qfn n SER 73 Ca -0.06 0.31 -0.39 0.00 1.01 0.00 0.00 58.87 59.75 2qfn n SER 73 Cb 0.56 -3.39 -0.12 0.00 -1.01 0.00 0.00 64.21 60.25 2qfn n SER 73 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qfn s VAL 74 N -2.38 4.64 0.63 0.44 1.01 0.10 -4.14 120.40 120.71 2qfn s VAL 74 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2qfn s VAL 74 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 2qfn s VAL 74 CO 0.00 0.04 1.04 -2.16 0.00 0.00 0.00 175.10 174.02 2qfn s PRO 75 N 1.62 3.35 0.40 2.72 0.04 -1.26 -1.37 135.00 140.50 2qfn s PRO 75 Ca 0.04 0.91 -0.25 0.00 0.04 0.00 0.00 61.00 61.74 2qfn s PRO 75 Cb -0.17 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 2qfn s PRO 75 CO 0.07 -0.77 1.18 -0.51 0.04 0.00 0.00 177.00 177.01 2qfn s LEU 76 N -5.11 4.19 0.24 -3.56 1.43 -1.26 -4.93 118.68 109.68 2qfn s LEU 76 Ca 0.58 2.37 -0.05 0.00 -1.03 0.00 0.00 54.13 55.99 2qfn s LEU 76 Cb -0.13 -4.02 0.38 0.00 0.03 0.00 0.00 46.19 42.46 2qfn s LEU 76 CO 0.50 -0.69 1.81 0.00 0.23 0.00 0.00 176.35 178.19 2qfn h ALA 77 N 2.63 1.13 -0.35 4.21 0.00 -1.96 -2.01 119.26 122.91 2qfn h ALA 77 Ca -0.49 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2qfn h ALA 77 Cb 1.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2qfn h ALA 77 CO 0.62 0.08 0.09 0.66 0.00 0.00 0.00 179.25 180.70 2qfn h SER 78 N 0.76 0.47 -0.25 0.00 4.64 -1.99 -1.05 113.55 116.13 2qfn h SER 78 Ca 0.39 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.51 2qfn h SER 78 Cb 0.35 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2qfn h SER 78 CO -0.25 0.48 -0.37 0.44 -0.87 0.00 0.00 176.83 176.26 2qfn h ASP 79 N 0.51 0.77 -0.88 4.97 3.45 -1.77 -1.04 116.42 122.43 2qfn h ASP 79 Ca 0.12 -0.51 0.04 0.00 0.43 0.00 0.00 57.03 57.11 2qfn h ASP 79 Cb 0.20 -0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 38.69 2qfn h ASP 79 CO -0.00 1.13 0.56 0.00 -1.57 0.00 0.00 179.24 179.36 2qfn h ALA 80 N 0.66 1.17 -0.59 3.45 0.00 -1.19 -2.26 119.26 120.49 2qfn h ALA 80 Ca 0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2qfn h ALA 80 Cb 0.96 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2qfn h ALA 80 CO 0.09 0.39 0.21 -0.97 0.00 0.00 0.00 179.25 178.97 2qfn h ASN 81 N 1.08 0.85 -0.40 0.00 -1.24 -0.95 -2.00 115.58 112.92 2qfn h ASN 81 Ca 0.36 -0.19 0.08 0.00 0.71 0.00 0.00 56.30 57.25 2qfn h ASN 81 Cb 0.04 -0.22 -0.07 0.00 0.73 0.00 0.00 38.32 38.80 2qfn h ASN 81 CO -0.13 0.81 -0.02 0.74 -1.29 0.00 0.00 177.43 177.55 2qfn h THR 82 N 0.83 0.68 -0.49 -3.57 2.02 -0.86 -1.12 112.91 110.40 2qfn h THR 82 Ca 0.19 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.31 2qfn h THR 82 Cb 0.25 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2qfn h THR 82 CO -0.01 0.02 0.15 -0.07 0.37 0.00 0.00 175.52 175.98 2qfn h LEU 83 N 0.09 0.66 -0.17 2.58 3.38 -1.03 -2.48 115.31 118.34 2qfn h LEU 83 Ca 0.20 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 2qfn h LEU 83 Cb 0.28 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2qfn h LEU 83 CO -0.34 0.63 -0.78 0.58 0.09 0.00 0.00 178.44 178.62 2qfn h VAL 84 N 0.70 1.28 0.00 1.22 2.07 -0.85 -3.32 116.25 117.35 2qfn h VAL 84 Ca 0.16 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2qfn h VAL 84 Cb 0.21 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2qfn h VAL 84 CO -0.01 0.63 -0.12 0.00 0.02 0.00 0.00 177.57 178.09 2qfn n GLN 85 N -3.93 0.24 -1.70 1.57 1.13 -0.47 -4.60 117.38 109.63 2qfn n GLN 85 Ca -0.07 0.17 -0.43 0.00 -1.94 0.00 0.00 57.00 54.73 2qfn n GLN 85 Cb 0.75 -1.76 -0.03 0.00 0.11 0.00 0.00 30.24 29.31 2qfn n GLN 85 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 2qfn n MET 86 N -2.16 2.66 -0.31 -1.09 2.81 -0.95 -4.86 117.12 113.21 2qfn n MET 86 Ca 0.05 0.96 0.14 0.00 -1.81 0.00 0.00 57.70 57.04 2qfn n MET 86 Cb 0.42 -2.82 0.37 0.00 -0.71 0.00 0.00 33.22 30.49 2qfn n MET 86 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2qfn h LYS 87 N 7.61 0.67 0.00 0.03 1.57 -1.93 0.18 116.57 124.70 2qfn h LYS 87 Ca -0.45 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2qfn h LYS 87 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2qfn h LYS 87 CO 0.94 0.44 0.00 1.96 -0.57 0.00 0.00 179.45 182.22 2qfn h GLN 88 N 0.69 0.00 -0.39 3.15 7.50 -1.96 -2.64 115.11 121.45 2qfn h GLN 88 Ca 0.51 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.66 2qfn h GLN 88 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.42 2qfn h GLN 88 CO -0.27 0.00 0.00 0.72 -1.50 0.00 0.00 178.83 177.78 2qfn n HIS 89 N -2.78 0.52 0.05 2.96 8.25 0.04 -4.70 115.22 119.57 2qfn n HIS 89 Ca -0.01 -0.45 0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2qfn n HIS 89 Cb 0.16 -0.02 0.56 0.00 1.12 0.00 0.00 29.99 31.81 2qfn n HIS 89 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2qfn h SER 90 N 2.55 0.22 -0.18 0.41 4.64 -1.39 -2.04 113.55 117.75 2qfn h SER 90 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qfn h SER 90 Cb 0.77 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2qfn h SER 90 CO 0.00 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.56 2qfn n SER 91 N -4.48 2.14 -4.89 4.97 3.41 -1.26 -4.97 113.62 108.55 2qfn n SER 91 Ca 0.04 -1.77 -0.30 0.00 -0.26 0.00 0.00 58.87 56.58 2qfn n SER 91 Cb 0.25 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2qfn n SER 91 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qfn s LEU 92 N -1.65 4.11 0.36 1.04 1.43 -0.77 -5.11 118.68 118.09 2qfn s LEU 92 Ca 0.34 0.81 0.09 0.00 -1.03 0.00 0.00 54.13 54.33 2qfn s LEU 92 Cb 0.19 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.75 2qfn s LEU 92 CO 0.29 -0.13 0.01 0.42 0.23 0.00 0.00 176.35 177.17 2qfn s THR 93 N -1.94 2.39 0.61 5.49 -4.23 -1.26 -4.55 115.64 112.14 2qfn s THR 93 Ca 0.45 -1.99 0.36 0.00 -1.18 0.00 0.00 61.69 59.33 2qfn s THR 93 Cb -0.11 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.30 2qfn s THR 93 CO 0.26 -0.14 2.30 0.71 -0.54 0.00 0.00 174.62 177.21 2qfn h THR 94 N 1.80 0.31 -0.92 3.99 1.35 -1.87 -1.54 112.91 116.03 2qfn h THR 94 Ca -0.43 -0.02 0.06 0.00 -0.55 0.00 0.00 66.41 65.48 2qfn h THR 94 Cb 1.25 1.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.62 2qfn h THR 94 CO 0.71 0.00 0.60 1.23 -0.25 0.00 0.00 175.52 177.81 2qfn h GLY 95 N 0.04 1.35 0.81 5.82 0.00 -1.96 -0.41 103.07 108.72 2qfn h GLY 95 Ca -0.00 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.95 2qfn h GLY 95 CO 0.00 0.31 0.46 3.43 0.00 0.00 0.00 176.54 180.74 2qfn h ASN 96 N 1.05 0.73 -0.24 0.19 4.21 -1.69 -1.70 115.58 118.13 2qfn h ASN 96 Ca 0.39 0.01 -0.19 0.00 1.21 0.00 0.00 56.30 57.73 2qfn h ASN 96 Cb 0.19 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 2qfn h ASN 96 CO -0.15 0.49 -0.58 -0.26 -1.29 0.00 0.00 177.43 175.65 2qfn h PHE 97 N 0.87 1.04 -0.81 1.19 0.04 -1.43 -2.51 116.94 115.34 2qfn h PHE 97 Ca 0.31 -0.40 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2qfn h PHE 97 Cb 0.08 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.00 2qfn h PHE 97 CO -0.04 1.22 0.44 1.49 -0.60 0.00 0.00 178.31 180.81 2qfn h GLU 98 N 0.56 1.13 -0.18 1.51 4.57 -0.86 -1.67 114.58 119.64 2qfn h GLU 98 Ca -0.01 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.08 2qfn h GLU 98 Cb 1.19 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 29.52 2qfn h GLU 98 CO 0.13 0.83 -0.09 0.87 -1.18 0.00 0.00 179.01 179.57 2qfn h LYS 99 N 1.12 -0.07 -0.46 1.92 1.57 -1.25 0.13 116.57 119.53 2qfn h LYS 99 Ca 0.28 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.16 2qfn h LYS 99 Cb 0.04 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.28 2qfn h LYS 99 CO -0.04 -0.04 -0.05 1.25 -0.57 0.00 0.00 179.45 179.99 2qfn h LEU 100 N -0.07 -0.30 -0.75 2.94 5.85 -1.03 -1.21 115.31 120.73 2qfn h LEU 100 Ca 0.10 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 2qfn h LEU 100 Cb 0.22 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2qfn h LEU 100 CO -0.23 -0.11 -0.61 -0.26 -0.34 0.00 0.00 178.44 176.90 2qfn h PHE 101 N 0.06 0.08 -0.15 1.25 -1.00 -0.70 0.02 116.94 116.49 2qfn h PHE 101 Ca 0.23 -0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.97 2qfn h PHE 101 Cb 0.35 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 2qfn h PHE 101 CO -0.34 0.65 0.08 0.28 -1.61 0.00 0.00 178.31 177.37 2qfn h VAL 102 N 0.05 1.10 -0.61 -0.55 2.07 -0.42 -0.19 116.25 117.70 2qfn h VAL 102 Ca -0.01 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2qfn h VAL 102 Cb 1.09 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2qfn h VAL 102 CO 0.08 0.09 0.40 0.00 0.02 0.00 0.00 177.57 178.16 2qfn h ALA 103 N 0.98 0.77 -0.21 1.67 0.00 -0.99 -1.21 119.26 120.27 2qfn h ALA 103 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2qfn h ALA 103 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2qfn h ALA 103 CO -0.01 0.19 0.12 1.25 0.00 0.00 0.00 179.25 180.80 2qfn h LEU 104 N 0.81 0.19 -0.50 0.00 6.46 -0.81 -0.07 115.31 121.39 2qfn h LEU 104 Ca 0.23 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2qfn h LEU 104 Cb -0.08 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 2qfn h LEU 104 CO -0.05 0.14 0.18 0.58 -0.62 0.00 0.00 178.44 178.67 2qfn h VAL 105 N 0.25 1.22 -0.69 1.05 2.07 -0.89 -1.22 116.25 118.03 2qfn h VAL 105 Ca 0.08 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2qfn h VAL 105 Cb -0.00 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2qfn h VAL 105 CO -0.04 0.26 0.44 -0.08 0.02 0.00 0.00 177.57 178.17 2qfn h GLU 106 N 0.67 0.85 -0.19 1.57 4.81 -1.09 -0.30 114.58 120.90 2qfn h GLU 106 Ca 0.17 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.38 2qfn h GLU 106 Cb 0.23 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2qfn h GLU 106 CO -0.01 0.56 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.88 2qfn h TYR 107 N 0.87 -0.08 -0.63 0.92 3.20 -0.74 -1.35 116.97 119.17 2qfn h TYR 107 Ca 0.27 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 2qfn h TYR 107 Cb -0.02 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2qfn h TYR 107 CO -0.04 -0.07 0.32 0.52 -1.64 0.00 0.00 178.16 177.25 2qfn h MET 108 N 0.02 0.90 -0.66 1.82 2.86 -0.71 -1.23 114.93 117.92 2qfn h MET 108 Ca 0.09 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2qfn h MET 108 Cb 0.13 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2qfn h MET 108 CO -0.18 0.71 0.29 0.00 1.06 0.00 0.00 176.91 178.79 2qfn h ARG 109 N 0.86 0.96 0.00 1.72 3.08 -0.83 -2.60 114.38 117.57 2qfn h ARG 109 Ca 0.22 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2qfn h ARG 109 Cb 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2qfn h ARG 109 CO -0.03 0.76 0.00 0.00 -1.07 0.00 0.00 179.97 179.63 2qfn h ALA 110 N 1.37 1.00 -2.69 0.04 0.00 -0.89 -3.47 119.26 114.63 2qfn h ALA 110 Ca 0.23 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.62 2qfn h ALA 110 Cb 0.14 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.04 2qfn h ALA 110 CO -0.03 0.00 0.43 0.45 0.00 0.00 0.00 179.25 180.10 2qfn s SER 111 N -5.60 4.99 0.37 0.00 0.15 -0.50 -4.94 113.70 108.17 2qfn s SER 111 Ca 0.07 2.27 0.26 0.00 0.70 0.00 0.00 55.95 59.24 2qfn s SER 111 Cb 0.08 -2.58 0.68 0.00 -1.71 0.00 0.00 66.02 62.49 2qfn s SER 111 CO 0.61 -1.72 1.72 1.23 1.20 0.00 0.00 173.24 176.28 2qfn h GLY 112 N 0.45 0.00 -4.02 9.45 0.00 -1.90 -3.45 103.07 103.60 2qfn h GLY 112 Ca -0.49 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.33 2qfn h GLY 112 CO 0.54 0.00 0.36 1.62 0.00 0.00 0.00 176.54 179.06 2qfn s GLN 113 N -3.25 4.73 0.29 4.80 2.00 -1.26 -5.01 119.66 121.97 2qfn s GLN 113 Ca 0.07 1.47 -0.29 0.00 -2.00 0.00 0.00 55.36 54.61 2qfn s GLN 113 Cb 0.08 -3.35 -0.10 0.00 0.80 0.00 0.00 33.01 30.44 2qfn s GLN 113 CO 0.61 0.28 1.40 -1.12 -0.50 0.00 0.00 175.29 175.95 2qfn s SER 114 N -0.27 6.66 0.02 6.67 0.01 -1.26 -4.97 113.70 120.56 2qfn s SER 114 Ca 0.46 2.72 -0.09 0.00 1.31 0.00 0.00 55.95 60.35 2qfn s SER 114 Cb -0.24 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.35 2qfn s SER 114 CO 0.30 -0.66 0.17 -0.36 0.41 0.00 0.00 173.24 173.11 2qfn s PHE 115 N -0.55 0.05 -1.27 2.43 0.40 -1.26 -4.96 117.98 112.81 2qfn s PHE 115 Ca 0.55 -0.20 -0.10 0.00 -0.60 0.00 0.00 56.93 56.58 2qfn s PHE 115 Cb -0.42 -0.04 0.17 0.00 0.51 0.00 0.00 43.02 43.24 2qfn s PHE 115 CO 0.49 -0.37 1.82 -3.47 0.70 0.00 0.00 175.22 174.40 2qfn n ASP 116 N 1.02 5.11 -0.32 1.36 4.64 -1.26 -4.83 116.55 122.26 2qfn n ASP 116 Ca -0.20 -3.10 0.00 0.00 -1.38 0.00 0.00 54.79 50.11 2qfn n ASP 116 Cb 0.57 -1.49 0.13 0.00 -1.04 0.00 0.00 41.12 39.30 2qfn n ASP 116 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 2qfn h SER 117 N 5.90 0.90 -0.90 1.67 0.02 -1.94 -1.32 113.55 117.89 2qfn h SER 117 Ca 0.39 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.49 2qfn h SER 117 Cb 0.66 -0.19 -0.09 0.00 0.14 0.00 0.00 62.40 62.92 2qfn h SER 117 CO 1.58 0.59 0.49 0.06 -1.14 0.00 0.00 176.83 178.42 2qfn h GLN 118 N 1.04 0.68 -0.36 3.45 3.07 -1.97 -0.63 115.11 120.39 2qfn h GLN 118 Ca 0.37 -0.04 -0.10 0.00 0.09 0.00 0.00 58.65 58.97 2qfn h GLN 118 Cb 0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 27.48 27.49 2qfn h GLN 118 CO -0.15 0.45 -0.19 1.03 0.09 0.00 0.00 178.83 180.06 2qfn h SER 119 N 0.70 0.68 0.20 0.06 0.87 -1.66 -1.19 113.55 113.21 2qfn h SER 119 Ca 0.49 -0.22 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 2qfn h SER 119 Cb 0.67 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2qfn h SER 119 CO -0.35 0.87 -0.55 -0.50 -0.53 0.00 0.00 176.83 175.77 2qfn h TRP 120 N 0.60 0.47 -0.20 2.24 4.06 -1.01 0.12 115.95 122.24 2qfn h TRP 120 Ca 0.09 -0.17 -0.01 0.00 2.06 0.00 0.00 58.89 60.86 2qfn h TRP 120 Cb 0.66 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.72 2qfn h TRP 120 CO 0.03 0.84 0.07 0.22 -3.56 0.00 0.00 178.44 176.04 2qfn h ASP 121 N 0.29 0.28 -0.51 -3.49 1.82 -0.82 -0.36 116.42 113.64 2qfn h ASP 121 Ca 0.00 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.47 2qfn h ASP 121 Cb 1.06 -0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.97 2qfn h ASP 121 CO 0.09 0.39 0.33 -0.09 -1.61 0.00 0.00 179.24 178.36 2qfn h ARG 122 N 0.16 0.66 -0.46 0.28 9.65 -1.08 -1.21 114.38 122.37 2qfn h ARG 122 Ca 0.07 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2qfn h ARG 122 Cb 0.21 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 2qfn h ARG 122 CO -0.00 0.43 0.23 0.35 2.80 0.00 0.00 179.97 183.78 2qfn h PHE 123 N 0.68 0.42 -0.59 2.20 3.04 -0.54 0.90 116.94 123.04 2qfn h PHE 123 Ca 0.19 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.18 2qfn h PHE 123 Cb -0.07 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.29 2qfn h PHE 123 CO -0.04 0.21 0.36 0.78 -2.02 0.00 0.00 178.31 177.60 2qfn h GLY 124 N 0.45 0.84 0.89 2.40 0.00 -0.59 0.14 103.07 107.20 2qfn h GLY 124 Ca 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2qfn h GLY 124 CO -0.15 0.24 0.07 1.70 0.00 0.00 0.00 176.54 178.40 2qfn h LYS 125 N 0.72 0.26 -0.45 4.80 3.11 -0.83 -0.34 116.57 123.84 2qfn h LYS 125 Ca 0.23 -0.04 -0.05 0.00 -2.81 0.00 0.00 60.65 57.98 2qfn h LYS 125 Cb 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 2qfn h LYS 125 CO -0.09 0.32 0.06 -0.91 -2.81 0.00 0.00 179.45 176.02 2qfn h ASN 126 N 0.13 0.65 -0.44 4.20 2.35 -0.56 -1.06 115.58 120.85 2qfn h ASN 126 Ca 0.06 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.54 2qfn h ASN 126 Cb 0.16 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 2qfn h ASN 126 CO -0.01 0.68 -0.28 0.25 -1.65 0.00 0.00 177.43 176.43 2qfn h LEU 127 N 0.66 1.01 -0.66 1.61 5.85 -0.50 0.52 115.31 123.80 2qfn h LEU 127 Ca 0.14 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.45 2qfn h LEU 127 Cb 0.33 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 2qfn h LEU 127 CO 0.01 1.22 0.42 0.58 -0.34 0.00 0.00 178.44 180.33 2qfn h VAL 128 N 0.81 1.13 -0.50 1.05 2.07 -0.68 0.36 116.25 120.49 2qfn h VAL 128 Ca 0.09 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2qfn h VAL 128 Cb 0.87 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2qfn h VAL 128 CO 0.08 0.16 0.23 0.28 0.02 0.00 0.00 177.57 178.34 2qfn h SER 129 N 0.85 0.67 -0.30 0.57 0.02 -0.91 -1.83 113.55 112.62 2qfn h SER 129 Ca 0.25 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2qfn h SER 129 Cb -0.05 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 2qfn h SER 129 CO -0.07 0.62 -0.11 0.00 -1.14 0.00 0.00 176.83 176.12 2qfn h ALA 130 N 1.07 1.04 -0.41 3.77 0.00 -0.23 -0.34 119.26 124.16 2qfn h ALA 130 Ca 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2qfn h ALA 130 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2qfn h ALA 130 CO -0.02 0.58 -0.02 -0.07 0.00 0.00 0.00 179.25 179.73 2qfn h LEU 131 N 0.66 0.64 -0.06 0.00 3.38 -0.01 -1.04 115.31 118.88 2qfn h LEU 131 Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qfn h LEU 131 Cb 0.57 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2qfn h LEU 131 CO 0.04 0.73 -0.02 0.28 0.09 0.00 0.00 178.44 179.55 2qfn h SER 132 N 0.63 0.11 -0.85 -0.43 0.02 -0.99 -0.14 113.55 111.92 2qfn h SER 132 Ca 0.13 -0.38 0.20 0.00 -0.84 0.00 0.00 61.79 60.90 2qfn h SER 132 Cb 0.42 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2qfn h SER 132 CO 0.02 0.47 0.57 0.28 -1.14 0.00 0.00 176.83 177.03 2qfn h SER 133 N -0.24 0.28 -0.25 3.07 0.02 -0.89 -0.52 113.55 115.03 2qfn h SER 133 Ca 0.01 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2qfn h SER 133 Cb 0.42 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2qfn h SER 133 CO 0.01 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.82 2qfn n ALA 134 N -2.57 2.49 -0.06 3.77 0.00 -0.41 -4.94 120.51 118.80 2qfn n ALA 134 Ca 0.18 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2qfn n ALA 134 Cb 0.72 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2qfn n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qfn n GLY 135 N 1.16 0.65 3.75 0.00 0.00 -0.20 -4.92 105.19 105.63 2qfn n GLY 135 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qfn n GLY 135 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qfn s MET 136 N -0.94 4.49 0.00 1.61 0.00 -0.10 -4.99 119.30 119.37 2qfn s MET 136 Ca 0.00 1.94 0.30 0.00 0.00 0.00 0.00 55.69 57.93 2qfn s MET 136 Cb 0.00 -3.19 1.50 0.00 0.00 0.00 0.00 34.83 33.14 2qfn s MET 136 CO 0.00 -0.05 2.00 1.63 0.00 0.00 0.00 175.02 178.60