#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqv s SER 3 N 0.00 3.70 -0.10 0.58 0.15 -1.26 -1.39 113.70 115.38 1fqv s SER 3 Ca 0.00 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.06 1fqv s SER 3 Cb 0.00 -0.49 0.05 0.00 -1.71 0.00 0.00 66.02 63.86 1fqv s SER 3 CO 0.00 0.21 0.23 -0.63 1.20 0.00 0.00 173.24 174.26 1fqv s ILE 4 N -1.02 -0.08 0.07 6.45 -1.09 -0.65 -4.76 121.20 120.12 1fqv s ILE 4 Ca 0.16 0.17 -0.22 0.00 -2.23 0.00 0.00 60.65 58.53 1fqv s ILE 4 Cb -0.10 -0.37 -0.06 0.00 -1.58 0.00 0.00 42.46 40.34 1fqv s ILE 4 CO 0.07 0.07 0.65 -0.54 -1.23 0.00 0.00 174.94 173.96 1fqv s LYS 5 N 1.39 4.35 0.15 2.79 1.02 -1.26 -1.69 119.74 126.49 1fqv s LYS 5 Ca -0.08 0.88 0.08 0.00 0.02 0.00 0.00 55.97 56.87 1fqv s LYS 5 Cb -0.11 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 1fqv s LYS 5 CO -0.08 0.51 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.28 1fqv s LEU 6 N -0.75 3.09 -0.15 3.17 1.43 0.48 -1.96 118.68 123.99 1fqv s LEU 6 Ca 0.32 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1fqv s LEU 6 Cb -0.20 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1fqv s LEU 6 CO 0.21 0.13 -0.04 -1.58 0.23 0.00 0.00 176.35 175.30 1fqv s GLN 7 N -2.62 1.21 0.66 1.70 0.74 -0.42 -1.41 119.66 119.52 1fqv s GLN 7 Ca 0.24 -0.36 -0.17 0.00 0.05 0.00 0.00 55.36 55.12 1fqv s GLN 7 Cb -0.10 -1.79 -0.00 0.00 1.10 0.00 0.00 33.01 32.23 1fqv s GLN 7 CO 0.15 -0.41 1.20 -1.54 -0.55 0.00 0.00 175.29 174.14 1fqv s SER 8 N 1.73 4.75 0.00 6.67 1.04 0.13 -1.51 113.70 126.51 1fqv s SER 8 Ca 0.02 2.34 0.01 0.00 0.48 0.00 0.00 55.95 58.80 1fqv s SER 8 Cb -0.15 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.43 1fqv s SER 8 CO -0.07 -1.89 0.24 -1.54 0.98 0.00 0.00 173.24 170.96 1fqv n SER 9 N -2.15 0.00 -1.53 7.02 3.41 0.38 -2.10 113.62 118.65 1fqv n SER 9 Ca 0.13 -0.16 0.02 0.00 -0.26 0.00 0.00 58.87 58.60 1fqv n SER 9 Cb 0.50 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.46 1fqv n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1fqv n ASP 10 N -0.63 0.67 0.00 4.04 3.85 -1.26 -4.95 116.55 118.27 1fqv n ASP 10 Ca 0.01 -2.00 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 1fqv n ASP 10 Cb 0.00 -0.20 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 1fqv n ASP 10 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fqv n GLY 11 N 0.31 3.19 3.72 6.12 0.00 -0.89 -4.95 105.19 112.70 1fqv n GLY 11 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1fqv n GLY 11 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fqv n GLU 12 N 0.00 2.44 -3.89 1.61 1.02 -1.26 -4.63 120.64 115.93 1fqv n GLU 12 Ca 0.00 0.87 -0.35 0.00 -0.02 0.00 0.00 57.16 57.66 1fqv n GLU 12 Cb 0.00 -2.60 -0.14 0.00 -0.02 0.00 0.00 31.44 28.68 1fqv n GLU 12 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1fqv s ILE 13 N -0.04 3.27 -0.11 -3.67 1.01 -1.26 0.18 121.20 120.58 1fqv s ILE 13 Ca 0.65 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1fqv s ILE 13 Cb -0.55 -2.66 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 1fqv s ILE 13 CO 0.49 0.18 -0.08 -0.36 0.00 0.00 0.00 174.94 175.17 1fqv s PHE 14 N 1.39 2.91 -0.43 3.97 0.40 -0.50 -4.90 117.98 120.82 1fqv s PHE 14 Ca 0.01 -0.27 -0.18 0.00 -0.60 0.00 0.00 56.93 55.89 1fqv s PHE 14 Cb -0.17 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.57 1fqv s PHE 14 CO -0.02 0.06 0.49 -1.21 0.70 0.00 0.00 175.22 175.24 1fqv s GLU 15 N -0.12 3.13 0.27 0.44 2.02 -1.26 -0.39 118.70 122.79 1fqv s GLU 15 Ca 0.01 -0.71 0.09 0.00 0.02 0.00 0.00 54.97 54.38 1fqv s GLU 15 Cb -0.13 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 1fqv s GLU 15 CO 0.03 -0.92 0.08 0.14 0.02 0.00 0.00 175.26 174.61 1fqv s VAL 16 N 2.30 3.68 0.20 2.63 -7.23 -0.68 -4.91 120.40 116.39 1fqv s VAL 16 Ca 0.14 -1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1fqv s VAL 16 Cb -0.17 -3.03 -0.08 0.00 0.56 0.00 0.00 36.38 33.66 1fqv s VAL 16 CO 0.14 -0.34 1.19 -0.62 -0.31 0.00 0.00 175.10 175.17 1fqv s ASP 17 N -3.75 7.09 0.44 4.85 -1.08 -1.26 -1.64 116.67 121.31 1fqv s ASP 17 Ca 0.33 2.26 0.21 0.00 -0.52 0.00 0.00 52.55 54.82 1fqv s ASP 17 Cb -0.06 -2.61 1.18 0.00 -1.46 0.00 0.00 42.92 39.96 1fqv s ASP 17 CO 0.22 -0.35 1.83 -0.37 0.52 0.00 0.00 175.17 177.01 1fqv h VAL 18 N 3.66 0.60 -0.11 1.11 -1.51 -1.52 0.18 116.25 118.65 1fqv h VAL 18 Ca -0.45 -0.11 -0.16 0.00 -1.23 0.00 0.00 66.70 64.75 1fqv h VAL 18 Cb 1.21 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1fqv h VAL 18 CO 0.73 0.06 -0.62 -0.08 -1.23 0.00 0.00 177.57 176.43 1fqv h GLU 19 N 0.32 0.38 -0.02 5.19 4.57 -1.90 -1.45 114.58 121.67 1fqv h GLU 19 Ca 0.51 -0.27 -0.26 0.00 -1.18 0.00 0.00 59.36 58.16 1fqv h GLU 19 Cb 1.42 0.04 0.02 0.00 -0.16 0.00 0.00 28.75 30.07 1fqv h GLU 19 CO -0.18 0.88 -1.01 0.82 -1.18 0.00 0.00 179.01 178.35 1fqv h ILE 20 N 0.28 1.29 -0.68 2.32 2.04 -1.08 -3.23 117.51 118.45 1fqv h ILE 20 Ca -0.01 -2.23 -0.07 0.00 1.00 0.00 0.00 64.86 63.55 1fqv h ILE 20 Cb 1.16 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 39.55 1fqv h ILE 20 CO 0.11 0.69 0.15 0.00 0.00 0.00 0.00 178.15 179.10 1fqv h ALA 21 N 0.45 0.89 0.00 1.87 0.00 -1.17 -2.10 119.26 119.20 1fqv h ALA 21 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1fqv h ALA 21 Cb 1.66 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1fqv h ALA 21 CO 0.20 0.63 0.14 -0.22 0.00 0.00 0.00 179.25 180.00 1fqv h LYS 22 N 1.02 0.00 -0.00 0.00 3.11 -1.29 0.41 116.57 119.82 1fqv h LYS 22 Ca 0.21 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 1fqv h LYS 22 Cb 0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1fqv h LYS 22 CO 0.00 0.00 0.03 1.96 -2.81 0.00 0.00 179.45 178.63 1fqv h GLN 23 N 0.00 0.00 -5.16 1.90 4.20 -1.39 -3.37 115.11 111.29 1fqv h GLN 23 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 1fqv h GLN 23 Cb 0.29 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.91 1fqv h GLN 23 CO 0.00 0.00 -0.10 0.45 -0.67 0.00 0.00 178.83 178.51 1fqv s SER 24 N -5.20 6.28 0.17 1.46 0.15 0.14 -4.65 113.70 112.05 1fqv s SER 24 Ca -0.05 -0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 1fqv s SER 24 Cb 0.13 -2.25 0.12 0.00 -1.71 0.00 0.00 66.02 62.31 1fqv s SER 24 CO 0.41 -0.49 1.71 0.58 1.20 0.00 0.00 173.24 176.65 1fqv h VAL 25 N 5.64 0.73 0.29 4.45 2.07 -1.33 0.65 116.25 128.74 1fqv h VAL 25 Ca -0.28 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1fqv h VAL 25 Cb 1.12 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1fqv h VAL 25 CO 0.77 0.03 -0.50 0.74 0.02 0.00 0.00 177.57 178.63 1fqv h THR 26 N 0.16 0.03 0.00 2.57 2.02 -1.73 0.47 112.91 116.43 1fqv h THR 26 Ca 0.21 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1fqv h THR 26 Cb 0.28 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1fqv h THR 26 CO -0.31 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 175.93 1fqv h ILE 27 N -0.85 0.53 0.45 3.11 2.04 -1.68 -2.67 117.51 118.44 1fqv h ILE 27 Ca -0.03 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1fqv h ILE 27 Cb 0.80 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1fqv h ILE 27 CO -0.18 0.05 -0.22 0.50 0.00 0.00 0.00 178.15 178.30 1fqv h LYS 28 N 0.00 -0.58 -0.93 2.37 3.64 0.20 -2.37 116.57 118.89 1fqv h LYS 28 Ca -0.00 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.66 1fqv h LYS 28 Cb 0.16 0.13 -0.13 0.00 -0.41 0.00 0.00 32.23 31.98 1fqv h LYS 28 CO 0.01 -0.35 0.46 0.00 -2.27 0.00 0.00 179.45 177.29 1fqv h THR 29 N -1.13 0.46 -0.20 1.00 1.03 0.11 0.50 112.91 114.69 1fqv h THR 29 Ca -0.06 -0.15 -0.03 0.00 -0.01 0.00 0.00 66.41 66.16 1fqv h THR 29 Cb 0.50 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.57 1fqv h THR 29 CO 0.10 0.08 0.02 0.24 -0.01 0.00 0.00 175.52 175.95 1fqv h MET 30 N 0.43 0.34 0.00 0.00 2.86 -1.51 0.10 114.93 117.15 1fqv h MET 30 Ca 0.60 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 58.14 1fqv h MET 30 Cb 1.17 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1fqv h MET 30 CO -0.53 0.51 0.00 1.28 1.06 0.00 0.00 176.91 179.23 1fqv n LEU 31 N -4.73 0.00 0.00 1.22 4.77 0.14 -1.80 117.00 116.60 1fqv n LEU 31 Ca -0.04 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1fqv n LEU 31 Cb 0.20 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1fqv n LEU 31 CO 0.36 -0.15 0.00 -0.62 -1.33 0.00 0.00 177.39 175.66 1fqv n GLU 32 N -1.16 0.00 0.00 3.23 1.02 -1.01 -4.09 120.64 118.63 1fqv n GLU 32 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1fqv n GLU 32 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 1fqv n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1fqv n ASP 33 N -1.06 0.00 0.00 1.62 9.92 0.32 -2.14 116.55 125.20 1fqv n ASP 33 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1fqv n ASP 33 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1fqv n ASP 33 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1fqv n LEU 34 N -0.20 0.00 -3.76 0.64 4.77 -0.75 -4.96 117.00 112.75 1fqv n LEU 34 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 1fqv n LEU 34 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1fqv n LEU 34 CO 0.00 0.00 -0.12 0.61 -1.33 0.00 0.00 177.39 176.55 1fqv n GLY 35 N -0.09 -0.74 3.86 -0.72 0.00 -0.91 -4.98 105.19 101.61 1fqv n GLY 35 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 1fqv n GLY 35 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fqv s MET 36 N -6.16 3.16 0.00 1.61 1.00 -1.26 -5.07 119.30 112.59 1fqv s MET 36 Ca 0.32 -0.64 0.00 0.00 0.00 0.00 0.00 55.69 55.36 1fqv s MET 36 Cb -0.12 -2.85 0.00 0.00 0.00 0.00 0.00 34.83 31.87 1fqv s MET 36 CO 0.87 0.55 0.00 -0.25 0.00 0.00 0.00 175.02 176.19 1fqv n ASP 43 N 0.00 0.00 -4.58 3.03 9.92 -1.26 -4.50 116.55 119.16 1fqv n ASP 43 Ca -0.07 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 53.96 1fqv n ASP 43 Cb 0.53 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.93 1fqv n ASP 43 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1fqv s PRO 44 N 0.00 2.07 -0.27 -0.24 0.02 -1.26 -4.22 135.00 131.10 1fqv s PRO 44 Ca 0.00 -0.72 -0.37 0.00 0.02 0.00 0.00 61.00 59.93 1fqv s PRO 44 Cb 0.00 -5.11 -0.13 0.00 0.02 0.00 0.00 34.50 29.28 1fqv s PRO 44 CO 0.00 -4.35 1.97 0.28 -0.33 0.00 0.00 177.00 174.57 1fqv n VAL 45 N 8.23 0.32 -2.31 3.83 0.31 -0.83 -4.72 118.33 123.15 1fqv n VAL 45 Ca 0.43 -0.15 -0.43 0.00 -0.01 0.00 0.00 64.34 64.18 1fqv n VAL 45 Cb 0.46 -1.54 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 1fqv n VAL 45 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1fqv s PRO 46 N 4.84 3.96 -0.64 5.55 0.02 -1.26 -1.30 135.00 146.17 1fqv s PRO 46 Ca 1.02 1.51 0.06 0.00 0.02 0.00 0.00 61.00 63.61 1fqv s PRO 46 Cb -0.90 -3.91 0.24 0.00 0.02 0.00 0.00 34.50 29.96 1fqv s PRO 46 CO 0.56 -1.07 0.73 1.28 -0.33 0.00 0.00 177.00 178.17 1fqv n LEU 47 N 7.61 3.72 0.28 -5.54 4.77 -0.57 -4.93 117.00 122.35 1fqv n LEU 47 Ca 0.16 -5.43 0.19 0.00 -0.03 0.00 0.00 56.01 50.90 1fqv n LEU 47 Cb 0.46 -0.67 1.01 0.00 -2.33 0.00 0.00 43.42 41.89 1fqv n LEU 47 CO 0.62 2.04 1.07 1.55 -1.33 0.00 0.00 177.39 181.35 1fqv h PRO 48 N 4.24 0.00 -0.68 3.23 0.13 -1.88 -1.62 132.00 135.42 1fqv h PRO 48 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1fqv h PRO 48 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1fqv h PRO 48 CO 0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 1fqv n ASN 49 N -2.84 4.19 -3.68 1.44 3.02 -1.26 -4.59 115.26 111.54 1fqv n ASN 49 Ca -0.02 -2.22 -0.19 0.00 -0.03 0.00 0.00 54.58 52.11 1fqv n ASN 49 Cb 0.07 -0.52 -0.18 0.00 -0.61 0.00 0.00 39.78 38.55 1fqv n ASN 49 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fqv s VAL 50 N -1.47 -0.11 0.98 2.41 1.01 -1.07 -4.81 120.40 117.34 1fqv s VAL 50 Ca 0.48 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 1fqv s VAL 50 Cb 0.28 -0.14 0.20 0.00 0.00 0.00 0.00 36.38 36.72 1fqv s VAL 50 CO 0.28 0.17 1.30 0.54 0.00 0.00 0.00 175.10 177.38 1fqv s ASN 51 N 2.06 2.95 0.40 3.32 4.22 -1.26 -0.47 114.94 126.16 1fqv s ASN 51 Ca 0.04 0.32 0.11 0.00 -2.14 0.00 0.00 52.86 51.19 1fqv s ASN 51 Cb -0.12 -0.40 0.84 0.00 1.28 0.00 0.00 41.25 42.85 1fqv s ASN 51 CO -0.03 -2.84 1.94 0.00 -2.04 0.00 0.00 177.10 174.12 1fqv h ALA 52 N -1.71 1.56 0.31 3.54 0.00 -1.92 -1.75 119.26 119.29 1fqv h ALA 52 Ca -0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1fqv h ALA 52 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1fqv h ALA 52 CO 0.39 0.32 -0.15 0.00 0.00 0.00 0.00 179.25 179.81 1fqv h ALA 53 N 1.70 -0.42 -0.53 0.00 0.00 -2.00 -2.89 119.26 115.12 1fqv h ALA 53 Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1fqv h ALA 53 Cb 0.37 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1fqv h ALA 53 CO 0.02 -0.51 0.03 0.82 0.00 0.00 0.00 179.25 179.61 1fqv h ILE 54 N -0.86 1.25 -0.72 0.00 1.08 -1.94 -2.95 117.51 113.37 1fqv h ILE 54 Ca -0.04 -1.00 -0.05 0.00 -0.39 0.00 0.00 64.86 63.38 1fqv h ILE 54 Cb 0.52 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 1fqv h ILE 54 CO 0.07 0.36 0.25 0.25 -0.69 0.00 0.00 178.15 178.39 1fqv h LEU 55 N 0.81 1.02 -1.25 1.44 6.46 -1.40 0.14 115.31 122.54 1fqv h LEU 55 Ca 0.16 -0.19 0.06 0.00 -0.12 0.00 0.00 57.88 57.78 1fqv h LEU 55 Cb 0.44 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 1fqv h LEU 55 CO 0.02 0.94 0.54 0.50 -0.62 0.00 0.00 178.44 179.81 1fqv h LYS 56 N 1.05 0.90 -0.08 1.25 3.64 -1.43 0.13 116.57 122.03 1fqv h LYS 56 Ca 0.23 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.52 1fqv h LYS 56 Cb 0.26 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1fqv h LYS 56 CO -0.01 0.60 -0.11 0.87 -2.27 0.00 0.00 179.45 178.53 1fqv h LYS 57 N 0.93 0.21 -0.50 1.90 1.79 -1.09 -0.94 116.57 118.87 1fqv h LYS 57 Ca 0.35 -0.12 0.06 0.00 -2.18 0.00 0.00 60.65 58.76 1fqv h LYS 57 Cb 0.17 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 1fqv h LYS 57 CO -0.12 0.68 0.19 0.28 -1.08 0.00 0.00 179.45 179.40 1fqv h VAL 58 N -0.25 0.85 -0.81 0.50 2.07 0.14 0.10 116.25 118.86 1fqv h VAL 58 Ca 0.01 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1fqv h VAL 58 Cb 0.66 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1fqv h VAL 58 CO 0.03 0.07 0.38 0.40 0.02 0.00 0.00 177.57 178.47 1fqv h ILE 59 N 0.37 1.25 0.49 4.57 2.04 -0.80 -1.19 117.51 124.24 1fqv h ILE 59 Ca 0.24 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1fqv h ILE 59 Cb 0.24 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1fqv h ILE 59 CO -0.23 0.31 -0.23 -0.61 0.00 0.00 0.00 178.15 177.38 1fqv h GLN 60 N 1.16 -0.63 -0.77 2.37 4.15 -0.03 -0.54 115.11 120.82 1fqv h GLN 60 Ca 0.28 0.04 0.14 0.00 0.77 0.00 0.00 58.65 59.89 1fqv h GLN 60 Cb 0.12 0.14 -0.10 0.00 0.21 0.00 0.00 27.48 27.86 1fqv h GLN 60 CO -0.03 -0.33 0.33 2.35 -1.93 0.00 0.00 178.83 179.21 1fqv h TRP 61 N -0.87 0.56 -0.33 3.99 7.01 -0.72 -1.43 115.95 124.15 1fqv h TRP 61 Ca -0.07 0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.89 1fqv h TRP 61 Cb 0.59 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1fqv h TRP 61 CO -0.00 0.08 -0.11 0.00 -2.79 0.00 0.00 178.44 175.62 1fqv h THR 63 N 0.44 0.27 -1.00 0.00 2.02 -0.53 0.32 112.91 114.44 1fqv h THR 63 Ca 0.08 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.50 1fqv h THR 63 Cb 0.62 0.27 -0.12 0.00 -1.74 0.00 0.00 68.15 67.18 1fqv h THR 63 CO 0.04 0.00 0.59 -0.74 0.37 0.00 0.00 175.52 175.77 1fqv h HIS 64 N -0.80 1.00 -0.83 3.16 6.17 -1.23 0.37 115.15 123.00 1fqv h HIS 64 Ca -0.04 0.04 -0.34 0.00 0.71 0.00 0.00 60.37 60.73 1fqv h HIS 64 Cb 0.69 -0.29 -0.20 0.00 2.52 0.00 0.00 27.41 30.13 1fqv h HIS 64 CO -0.16 0.06 0.42 0.72 0.71 0.00 0.00 177.93 179.68 1fqv n HIS 65 N -4.89 2.64 -0.06 5.26 8.25 -0.73 -4.67 115.22 121.02 1fqv n HIS 65 Ca 0.27 -1.50 0.25 0.00 -0.26 0.00 0.00 57.72 56.47 1fqv n HIS 65 Cb 0.74 -0.79 0.72 0.00 1.12 0.00 0.00 29.99 31.77 1fqv n HIS 65 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1fqv h LYS 66 N 1.86 0.00 0.00 -0.41 2.10 0.37 0.43 116.57 120.91 1fqv h LYS 66 Ca 0.42 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.93 1fqv h LYS 66 Cb 2.53 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.83 1fqv h LYS 66 CO 0.88 0.00 -2.15 -0.25 -2.00 0.00 0.00 179.45 175.93 1fqv n ASP 67 N -3.96 0.00 -3.62 7.07 10.43 -1.26 -4.99 116.55 120.23 1fqv n ASP 67 Ca 0.14 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.50 1fqv n ASP 67 Cb 0.84 1.61 0.00 0.00 1.84 0.00 0.00 41.12 45.40 1fqv n ASP 67 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1fqv n ASP 68 N -2.45 0.00 -4.63 -2.24 9.92 0.15 -5.26 116.55 112.04 1fqv n ASP 68 Ca -0.15 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.74 1fqv n ASP 68 Cb 0.80 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 41.18 1fqv n ASP 68 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1fqv s ILE 85 N 0.00 5.34 0.61 0.53 1.01 -1.26 -5.12 121.20 122.31 1fqv s ILE 85 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 60.65 60.66 1fqv s ILE 85 Cb 0.00 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.87 1fqv s ILE 85 CO 0.00 0.30 0.45 -2.65 0.00 0.00 0.00 174.94 173.04 1fqv n PRO 86 N 4.64 0.41 -0.14 2.79 -0.02 -1.26 -4.65 135.00 136.77 1fqv n PRO 86 Ca -0.14 0.17 -0.06 0.00 -2.02 0.00 0.00 63.50 61.45 1fqv n PRO 86 Cb 0.52 -1.67 0.12 0.00 -0.02 0.00 0.00 33.50 32.45 1fqv n PRO 86 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fqv h VAL 87 N 0.05 1.25 -0.44 -1.45 2.07 -2.05 -0.83 116.25 114.86 1fqv h VAL 87 Ca -0.45 -1.04 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 1fqv h VAL 87 Cb 1.39 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1fqv h VAL 87 CO 0.45 0.37 -0.06 -0.25 0.02 0.00 0.00 177.57 178.10 1fqv h TRP 88 N 0.82 0.81 -0.28 1.57 7.01 -1.99 -1.20 115.95 122.68 1fqv h TRP 88 Ca 0.16 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 60.99 1fqv h TRP 88 Cb 0.48 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1fqv h TRP 88 CO 0.03 0.79 0.04 -0.44 -2.79 0.00 0.00 178.44 176.07 1fqv h ASP 89 N 0.69 0.45 -0.75 2.65 3.45 -1.74 0.15 116.42 121.33 1fqv h ASP 89 Ca 0.13 -0.26 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 1fqv h ASP 89 Cb 0.52 -0.12 -0.04 0.00 -0.56 0.00 0.00 39.33 39.13 1fqv h ASP 89 CO 0.03 0.60 0.46 1.56 -1.57 0.00 0.00 179.24 180.32 1fqv h GLN 90 N 0.29 1.03 -0.25 3.56 4.20 -0.96 0.39 115.11 123.37 1fqv h GLN 90 Ca 0.09 -0.09 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1fqv h GLN 90 Cb 0.34 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1fqv h GLN 90 CO 0.01 0.72 -0.62 1.05 -0.67 0.00 0.00 178.83 179.31 1fqv h GLU 91 N 1.05 0.86 -0.50 1.46 -0.00 -1.03 -2.57 114.58 113.85 1fqv h GLU 91 Ca 0.27 -0.59 0.05 0.00 -0.00 0.00 0.00 59.36 59.10 1fqv h GLU 91 Cb -0.05 0.09 -0.05 0.00 -0.00 0.00 0.00 28.75 28.74 1fqv h GLU 91 CO -0.05 1.22 0.22 0.35 -0.00 0.00 0.00 179.01 180.75 1fqv h PHE 92 N 0.64 0.41 -0.22 2.06 3.57 0.33 -0.76 116.94 122.97 1fqv h PHE 92 Ca -0.01 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1fqv h PHE 92 Cb 1.24 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1fqv h PHE 92 CO 0.08 0.17 0.03 1.28 -2.23 0.00 0.00 178.31 177.65 1fqv n LEU 93 N -4.93 2.89 -4.13 0.59 4.77 0.13 -4.49 117.00 111.83 1fqv n LEU 93 Ca 0.05 -1.47 -0.43 0.00 -0.03 0.00 0.00 56.01 54.12 1fqv n LEU 93 Cb 0.16 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 1fqv n LEU 93 CO 0.27 0.43 1.57 1.17 -1.33 0.00 0.00 177.39 179.50 1fqv n LYS 94 N 0.17 3.64 -4.28 3.23 0.00 -0.29 -4.87 118.16 115.76 1fqv n LYS 94 Ca 0.11 -3.84 -0.15 0.00 0.00 0.00 0.00 58.31 54.43 1fqv n LYS 94 Cb 0.63 -2.88 -0.10 0.00 0.00 0.00 0.00 35.03 32.68 1fqv n LYS 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1fqv s VAL 95 N 0.24 0.66 0.71 3.15 -7.23 -1.26 -5.04 120.40 111.63 1fqv s VAL 95 Ca 0.39 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 1fqv s VAL 95 Cb 0.03 -2.33 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1fqv s VAL 95 CO 0.01 -0.28 1.13 1.51 -0.31 0.00 0.00 175.10 177.16 1fqv s ASP 96 N -3.24 4.62 0.38 4.85 3.84 -1.26 -4.73 116.67 121.14 1fqv s ASP 96 Ca 0.30 2.08 0.17 0.00 -0.00 0.00 0.00 52.55 55.09 1fqv s ASP 96 Cb 0.07 -2.56 1.06 0.00 -1.38 0.00 0.00 42.92 40.11 1fqv s ASP 96 CO 0.08 -1.96 1.76 1.56 -0.00 0.00 0.00 175.17 176.61 1fqv h GLN 97 N -0.37 0.42 0.46 2.11 4.20 -1.98 -1.57 115.11 118.39 1fqv h GLN 97 Ca -0.46 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 1fqv h GLN 97 Cb 1.26 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1fqv h GLN 97 CO 0.52 0.28 -0.36 0.78 -0.67 0.00 0.00 178.83 179.37 1fqv h GLY 98 N 0.43 -0.90 0.48 3.46 0.00 -1.99 0.42 103.07 104.98 1fqv h GLY 98 Ca 0.61 0.41 0.05 0.00 0.00 0.00 0.00 47.33 48.40 1fqv h GLY 98 CO -0.33 -0.32 -0.06 -0.84 0.00 0.00 0.00 176.54 174.98 1fqv h THR 99 N -0.81 0.74 -0.90 4.70 2.02 -1.67 -0.10 112.91 116.90 1fqv h THR 99 Ca -0.05 -0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.24 1fqv h THR 99 Cb 0.69 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.77 1fqv h THR 99 CO -0.00 0.00 0.53 0.25 0.37 0.00 0.00 175.52 176.67 1fqv h LEU 100 N 0.00 0.75 -0.76 2.58 5.85 -1.11 0.37 115.31 122.99 1fqv h LEU 100 Ca 0.12 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1fqv h LEU 100 Cb 0.19 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1fqv h LEU 100 CO -0.27 0.41 -0.09 0.15 -0.34 0.00 0.00 178.44 178.30 1fqv h PHE 101 N 0.85 0.93 -0.59 1.25 3.04 -0.21 -0.55 116.94 121.66 1fqv h PHE 101 Ca 0.44 -0.17 -0.09 0.00 3.98 0.00 0.00 57.97 62.13 1fqv h PHE 101 Cb 0.45 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1fqv h PHE 101 CO -0.04 0.89 0.00 0.93 -2.02 0.00 0.00 178.31 178.07 1fqv h GLU 102 N 0.77 1.03 -0.19 1.11 4.39 0.93 -2.09 114.58 120.53 1fqv h GLU 102 Ca 0.13 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 1fqv h GLU 102 Cb 0.59 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1fqv h GLU 102 CO 0.04 1.00 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.78 1fqv h LEU 103 N 0.94 0.37 -1.22 1.33 3.38 0.12 0.40 115.31 120.63 1fqv h LEU 103 Ca 0.17 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.85 1fqv h LEU 103 Cb 0.54 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 1fqv h LEU 103 CO 0.03 0.65 0.56 0.40 0.09 0.00 0.00 178.44 180.17 1fqv h ILE 104 N 0.08 1.02 0.20 1.22 2.04 -1.06 0.46 117.51 121.48 1fqv h ILE 104 Ca 0.05 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1fqv h ILE 104 Cb 0.49 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1fqv h ILE 104 CO 0.02 0.17 -0.10 -0.07 0.00 0.00 0.00 178.15 178.17 1fqv h LEU 105 N 0.92 -0.23 0.22 1.44 3.38 -1.01 -0.84 115.31 119.19 1fqv h LEU 105 Ca 0.38 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1fqv h LEU 105 Cb 0.28 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1fqv h LEU 105 CO -0.15 0.16 -0.38 0.00 0.09 0.00 0.00 178.44 178.17 1fqv h ALA 106 N 0.02 -0.73 -0.86 1.53 0.00 0.24 0.35 119.26 119.81 1fqv h ALA 106 Ca -0.03 -0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1fqv h ALA 106 Cb 0.47 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 1fqv h ALA 106 CO 0.05 -0.96 0.30 0.00 0.00 0.00 0.00 179.25 178.63 1fqv h ALA 107 N -0.19 1.30 -0.25 0.00 0.00 -0.12 0.58 119.26 120.57 1fqv h ALA 107 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1fqv h ALA 107 Cb 0.67 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1fqv h ALA 107 CO -0.16 -0.39 -0.46 -0.97 0.00 0.00 0.00 179.25 177.27 1fqv h ASN 108 N 0.31 0.85 -0.34 0.00 -1.24 -0.34 -0.08 115.58 114.74 1fqv h ASN 108 Ca 0.53 -0.53 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1fqv h ASN 108 Cb 1.02 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 1fqv h ASN 108 CO -0.57 1.22 0.06 0.22 -1.29 0.00 0.00 177.43 177.08 1fqv h TYR 109 N 0.50 0.59 -0.00 0.67 3.20 0.18 -2.26 116.97 119.85 1fqv h TYR 109 Ca 0.01 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1fqv h TYR 109 Cb 1.07 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.17 1fqv h TYR 109 CO 0.08 0.61 -0.03 1.28 -1.64 0.00 0.00 178.16 178.47 1fqv n LEU 110 N -4.60 0.39 -3.53 2.82 4.77 0.18 -4.74 117.00 112.28 1fqv n LEU 110 Ca -0.02 -0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 1fqv n LEU 110 Cb 0.21 -0.08 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1fqv n LEU 110 CO 0.38 0.07 -0.01 -0.67 -1.33 0.00 0.00 177.39 175.82 1fqv n ASP 111 N -0.82 -5.92 -4.04 -1.43 2.03 -0.21 -2.47 116.55 103.69 1fqv n ASP 111 Ca 0.19 -0.68 -0.34 0.00 0.52 0.00 0.00 54.79 54.49 1fqv n ASP 111 Cb 0.21 -3.18 -0.10 0.00 -0.72 0.00 0.00 41.12 37.33 1fqv n ASP 111 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1fqv s ILE 112 N -3.08 3.47 0.34 5.18 1.01 -0.22 -2.79 121.20 125.12 1fqv s ILE 112 Ca 0.09 -3.44 0.12 0.00 0.00 0.00 0.00 60.65 57.42 1fqv s ILE 112 Cb -0.03 -3.26 0.33 0.00 0.01 0.00 0.00 42.46 39.51 1fqv s ILE 112 CO 0.84 -0.92 1.73 0.50 0.00 0.00 0.00 174.94 177.09 1fqv h LYS 113 N 6.45 0.50 0.42 2.79 1.63 -1.87 0.55 116.57 127.03 1fqv h LYS 113 Ca 0.03 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1fqv h LYS 113 Cb 0.88 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1fqv h LYS 113 CO 0.74 0.33 -0.28 0.78 -3.45 0.00 0.00 179.45 177.57 1fqv h GLY 114 N 0.52 -0.91 2.00 5.01 0.00 -1.93 -1.10 103.07 106.65 1fqv h GLY 114 Ca 0.64 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 48.34 1fqv h GLY 114 CO -0.44 -0.31 -0.09 -2.00 0.00 0.00 0.00 176.54 173.71 1fqv h LEU 115 N -0.66 0.00 -0.41 3.11 7.12 -1.83 -1.77 115.31 120.88 1fqv h LEU 115 Ca -0.06 0.00 -0.17 0.00 0.13 0.00 0.00 57.88 57.79 1fqv h LEU 115 Cb 0.53 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1fqv h LEU 115 CO 0.04 0.09 -0.46 0.25 -0.13 0.00 0.00 178.44 178.23 1fqv h LEU 116 N 0.00 0.92 0.47 2.25 6.46 -0.67 -2.78 115.31 121.96 1fqv h LEU 116 Ca -0.00 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.29 1fqv h LEU 116 Cb 0.27 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1fqv h LEU 116 CO 0.01 1.23 -0.27 -0.78 -0.62 0.00 0.00 178.44 178.01 1fqv h ASP 117 N 0.67 -0.67 -0.16 1.25 3.58 -0.28 -1.62 116.42 119.19 1fqv h ASP 117 Ca 0.04 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1fqv h ASP 117 Cb 1.04 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 1fqv h ASP 117 CO 0.10 -0.44 0.09 -0.37 -2.88 0.00 0.00 179.24 175.75 1fqv h VAL 118 N -0.70 1.08 -0.70 2.25 -1.51 -1.57 -0.80 116.25 114.31 1fqv h VAL 118 Ca -0.06 -0.21 0.08 0.00 -1.23 0.00 0.00 66.70 65.28 1fqv h VAL 118 Cb 0.56 0.94 -0.06 0.00 -2.13 0.00 0.00 31.29 30.60 1fqv h VAL 118 CO 0.07 0.08 0.38 0.71 -1.23 0.00 0.00 177.57 177.57 1fqv h THR 119 N 0.17 0.92 -0.14 7.19 1.35 -1.48 0.57 112.91 121.48 1fqv h THR 119 Ca 0.06 -0.23 -0.12 0.00 -0.55 0.00 0.00 66.41 65.57 1fqv h THR 119 Cb 0.04 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.64 1fqv h THR 119 CO -0.01 0.12 -0.42 0.00 -0.25 0.00 0.00 175.52 174.97 1fqv h LYS 121 N 0.28 0.00 -0.56 0.00 1.57 -0.16 -1.33 116.57 116.36 1fqv h LYS 121 Ca 0.02 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1fqv h LYS 121 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1fqv h LYS 121 CO 0.07 0.59 -0.00 1.15 -0.57 0.00 0.00 179.45 180.69 1fqv h THR 122 N 0.00 1.26 -0.05 -0.16 2.02 0.62 0.58 112.91 117.18 1fqv h THR 122 Ca -0.01 -1.12 -0.15 0.00 0.77 0.00 0.00 66.41 65.90 1fqv h THR 122 Cb 1.22 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1fqv h THR 122 CO 0.08 0.40 -0.64 0.58 0.37 0.00 0.00 175.52 176.31 1fqv h VAL 123 N 0.87 1.41 -0.51 3.16 2.07 -1.24 -2.31 116.25 119.70 1fqv h VAL 123 Ca 0.16 -2.09 -0.12 0.00 0.82 0.00 0.00 66.70 65.47 1fqv h VAL 123 Cb 0.54 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1fqv h VAL 123 CO 0.03 0.61 -0.16 0.00 0.02 0.00 0.00 177.57 178.07 1fqv h ALA 124 N 1.18 0.74 -0.29 1.67 0.00 -0.76 -2.01 119.26 119.79 1fqv h ALA 124 Ca -0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1fqv h ALA 124 Cb 1.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1fqv h ALA 124 CO 0.10 0.67 -0.09 -0.91 0.00 0.00 0.00 179.25 179.03 1fqv h ASN 125 N 0.88 0.46 -0.35 0.00 -0.26 -0.73 -1.37 115.58 114.20 1fqv h ASN 125 Ca 0.13 -0.11 -0.11 0.00 -0.56 0.00 0.00 56.30 55.65 1fqv h ASN 125 Cb 0.73 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.85 1fqv h ASN 125 CO 0.06 0.59 -0.17 0.24 -1.06 0.00 0.00 177.43 177.09 1fqv h MET 126 N 0.45 0.82 -0.25 0.81 2.86 -1.03 -2.96 114.93 115.63 1fqv h MET 126 Ca 0.09 -0.31 -0.13 0.00 -2.06 0.00 0.00 59.70 57.29 1fqv h MET 126 Cb 0.43 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1fqv h MET 126 CO 0.02 0.93 -0.37 0.82 1.06 0.00 0.00 176.91 179.37 1fqv h ILE 127 N 0.73 1.29 -3.24 -1.22 2.04 -0.86 -3.40 117.51 112.86 1fqv h ILE 127 Ca 0.11 -1.51 -0.53 0.00 1.00 0.00 0.00 64.86 63.92 1fqv h ILE 127 Cb 0.68 1.50 0.08 0.00 -0.74 0.00 0.00 36.82 38.34 1fqv h ILE 127 CO 0.05 0.48 0.88 0.29 0.00 0.00 0.00 178.15 179.85 1fqv n LYS 128 N -4.05 2.69 0.00 2.37 5.02 -0.56 -2.72 118.16 120.92 1fqv n LYS 128 Ca -0.01 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1fqv n LYS 128 Cb 0.50 -2.74 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 1fqv n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqv n GLY 129 N 2.25 2.40 3.74 0.72 0.00 -1.26 -4.97 105.19 108.07 1fqv n GLY 129 Ca 0.09 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1fqv n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqv s LYS 130 N 0.00 2.77 0.67 1.61 1.02 -1.10 -5.02 119.74 119.69 1fqv s LYS 130 Ca 0.00 1.97 -0.03 0.00 0.02 0.00 0.00 55.97 57.93 1fqv s LYS 130 Cb 0.00 -1.90 0.07 0.00 -0.52 0.00 0.00 37.83 35.48 1fqv s LYS 130 CO 0.00 -1.40 0.94 0.95 -0.92 0.00 0.00 175.35 174.92 1fqv s THR 131 N -1.47 2.37 0.32 2.17 -4.23 -1.26 -4.81 115.64 108.73 1fqv s THR 131 Ca 0.80 -0.45 0.09 0.00 -1.18 0.00 0.00 61.69 60.94 1fqv s THR 131 Cb -0.35 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 70.89 1fqv s THR 131 CO 0.37 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.56 1fqv h PRO 132 N -0.41 0.64 -0.11 3.99 0.11 -1.96 0.51 132.00 134.77 1fqv h PRO 132 Ca -0.42 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1fqv h PRO 132 Cb 1.30 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1fqv h PRO 132 CO 0.53 0.42 -0.00 1.49 -0.21 0.00 0.00 178.00 180.23 1fqv h GLU 133 N 0.66 0.19 0.00 1.05 4.57 -2.00 -1.49 114.58 117.57 1fqv h GLU 133 Ca 0.60 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.70 1fqv h GLU 133 Cb 1.07 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1fqv h GLU 133 CO -0.40 0.45 -0.08 0.93 -1.18 0.00 0.00 179.01 178.73 1fqv h GLU 134 N -0.08 0.00 -0.12 1.92 5.08 -1.58 -1.53 114.58 118.27 1fqv h GLU 134 Ca 0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1fqv h GLU 134 Cb 0.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1fqv h GLU 134 CO 0.01 0.08 -0.71 0.82 -1.00 0.00 0.00 179.01 178.21 1fqv h ILE 135 N 0.00 1.31 -0.49 3.13 2.04 -0.63 -2.43 117.51 120.45 1fqv h ILE 135 Ca -0.00 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1fqv h ILE 135 Cb 0.14 2.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1fqv h ILE 135 CO 0.01 0.61 0.32 0.03 0.00 0.00 0.00 178.15 179.11 1fqv h ARG 136 N 0.38 0.65 0.03 2.37 3.08 -0.71 -2.05 114.38 118.13 1fqv h ARG 136 Ca -0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1fqv h ARG 136 Cb 1.35 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1fqv h ARG 136 CO 0.15 0.45 -0.10 0.87 -1.07 0.00 0.00 179.97 180.27 1fqv h LYS 137 N 0.66 -0.14 -0.05 0.04 1.57 -1.26 0.56 116.57 117.96 1fqv h LYS 137 Ca 0.18 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1fqv h LYS 137 Cb -0.05 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1fqv h LYS 137 CO -0.04 -0.09 -0.14 1.79 -0.57 0.00 0.00 179.45 180.40 1fqv h THR 138 N -0.14 0.00 0.00 -0.16 1.35 -1.36 -1.62 112.91 110.98 1fqv h THR 138 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1fqv h THR 138 Cb 0.14 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.56 1fqv h THR 138 CO -0.05 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.71 1fqv n PHE 139 N -3.33 0.00 -3.08 4.73 3.01 -0.78 -4.93 117.46 113.09 1fqv n PHE 139 Ca -0.01 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.41 1fqv n PHE 139 Cb 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1fqv n PHE 139 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fqv n ASN 140 N -0.65 -6.93 -4.15 4.37 5.15 0.18 -4.98 115.26 108.24 1fqv n ASN 140 Ca 0.07 0.65 -0.26 0.00 -0.60 0.00 0.00 54.58 54.44 1fqv n ASN 140 Cb 0.03 -2.73 -0.16 0.00 -0.53 0.00 0.00 39.78 36.39 1fqv n ASN 140 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1fqv s ILE 141 N -1.26 1.42 0.18 -1.44 -1.09 -0.05 -5.00 121.20 113.95 1fqv s ILE 141 Ca 0.04 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 57.42 1fqv s ILE 141 Cb -0.01 -1.20 -0.08 0.00 -1.58 0.00 0.00 42.46 39.60 1fqv s ILE 141 CO 0.31 0.40 1.08 -0.75 -1.23 0.00 0.00 174.94 174.75 1fqv s LYS 142 N -0.17 4.62 -0.77 2.79 2.20 -1.26 -4.81 119.74 122.33 1fqv s LYS 142 Ca 0.01 1.68 -0.25 0.00 -0.36 0.00 0.00 55.97 57.05 1fqv s LYS 142 Cb -0.09 -3.28 0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1fqv s LYS 142 CO 0.01 0.12 1.25 1.21 -0.36 0.00 0.00 175.35 177.58 1fqv s ASN 143 N -0.20 6.23 0.00 1.43 3.84 -1.26 -4.85 114.94 120.13 1fqv s ASN 143 Ca 0.48 -0.73 0.18 0.00 0.21 0.00 0.00 52.86 53.00 1fqv s ASN 143 Cb -0.29 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 38.98 1fqv s ASN 143 CO 0.35 -1.70 1.50 0.47 -2.79 0.00 0.00 177.10 174.93 1fqv n ASP 144 N 8.95 0.00 -4.93 -4.21 8.00 -1.26 -4.88 116.55 118.22 1fqv n ASP 144 Ca 0.07 -0.64 -0.25 0.00 0.71 0.00 0.00 54.79 54.67 1fqv n ASP 144 Cb 0.49 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.62 1fqv n ASP 144 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1fqv s PHE 145 N -2.00 3.13 0.07 1.24 0.40 -1.26 -5.13 117.98 114.43 1fqv s PHE 145 Ca 0.28 0.48 0.05 0.00 -0.60 0.00 0.00 56.93 57.14 1fqv s PHE 145 Cb 0.13 -2.79 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 1fqv s PHE 145 CO 0.21 -0.91 -0.07 0.99 0.70 0.00 0.00 175.22 176.14 1fqv s THR 146 N -2.97 3.56 0.63 0.64 2.01 -1.26 -5.00 115.64 113.25 1fqv s THR 146 Ca 0.55 -1.06 0.42 0.00 0.31 0.00 0.00 61.69 61.91 1fqv s THR 146 Cb -0.10 -2.63 0.43 0.00 0.01 0.00 0.00 72.50 70.20 1fqv s THR 146 CO 0.43 0.20 2.34 -0.33 -0.69 0.00 0.00 174.62 176.58 1fqv h GLU 147 N 3.87 0.00 0.00 4.92 5.08 -2.00 0.17 114.58 126.63 1fqv h GLU 147 Ca -0.48 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.65 1fqv h GLU 147 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1fqv h GLU 147 CO 0.54 0.00 -1.20 1.49 -1.00 0.00 0.00 179.01 178.84 1fqv h GLU 148 N 0.00 0.00 -0.07 2.33 4.81 -1.98 -3.04 114.58 116.62 1fqv h GLU 148 Ca -0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1fqv h GLU 148 Cb 0.02 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.41 1fqv h GLU 148 CO 0.00 0.76 -0.45 0.93 -0.73 0.00 0.00 179.01 179.52 1fqv h GLU 149 N 0.00 0.43 0.00 1.92 5.08 -1.43 -2.29 114.58 118.29 1fqv h GLU 149 Ca -0.10 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1fqv h GLU 149 Cb 1.80 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1fqv h GLU 149 CO 0.10 1.01 0.00 0.39 -1.00 0.00 0.00 179.01 179.52 1fqv n GLU 150 N -4.30 0.17 0.14 2.33 1.02 -0.35 -0.59 120.64 119.06 1fqv n GLU 150 Ca -0.09 0.55 -0.24 0.00 -0.02 0.00 0.00 57.16 57.36 1fqv n GLU 150 Cb 0.58 -1.93 -0.16 0.00 -0.02 0.00 0.00 31.44 29.91 1fqv n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fqv h ALA 151 N 2.11 -0.13 0.00 0.62 0.00 -1.32 -2.75 119.26 117.79 1fqv h ALA 151 Ca 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 1fqv h ALA 151 Cb 0.15 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fqv h ALA 151 CO 0.00 0.73 -0.13 0.37 0.00 0.00 0.00 179.25 180.22 1fqv h GLN 152 N 0.14 0.08 -0.73 0.00 4.15 -0.55 -2.18 115.11 116.02 1fqv h GLN 152 Ca -0.26 -0.10 0.16 0.00 0.77 0.00 0.00 58.65 59.23 1fqv h GLN 152 Cb 2.16 0.03 -0.12 0.00 0.21 0.00 0.00 27.48 29.76 1fqv h GLN 152 CO 0.27 0.89 0.11 0.28 -1.93 0.00 0.00 178.83 178.45 1fqv h VAL 153 N -0.68 0.45 -0.82 2.39 2.07 -0.99 0.69 116.25 119.35 1fqv h VAL 153 Ca -0.02 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1fqv h VAL 153 Cb 0.94 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1fqv h VAL 153 CO 0.03 0.04 0.40 -0.09 0.02 0.00 0.00 177.57 177.96 1fqv h ARG 154 N 0.20 1.18 -0.33 1.57 2.43 -1.50 -2.58 114.38 115.35 1fqv h ARG 154 Ca 0.41 -0.17 -0.16 0.00 -0.81 0.00 0.00 59.98 59.25 1fqv h ARG 154 Cb 0.72 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1fqv h ARG 154 CO -0.56 0.90 -0.42 -0.22 -1.51 0.00 0.00 179.97 178.16 1fqv h LYS 155 N 1.17 0.84 0.00 0.20 3.64 -0.01 -2.81 116.57 119.61 1fqv h LYS 155 Ca 0.28 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1fqv h LYS 155 Cb 0.11 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1fqv h LYS 155 CO -0.04 1.10 0.00 0.39 -2.27 0.00 0.00 179.45 178.63 1fqv n GLU 156 N -4.04 0.02 -0.23 1.90 1.02 0.21 -2.79 120.64 116.73 1fqv n GLU 156 Ca -0.02 0.27 0.07 0.00 -0.02 0.00 0.00 57.16 57.47 1fqv n GLU 156 Cb 0.56 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.59 1fqv n GLU 156 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1fqv n ASN 157 N -1.48 1.78 -0.07 1.62 3.02 -1.01 -4.74 115.26 114.38 1fqv n ASN 157 Ca 0.03 -2.89 -0.13 0.00 -0.03 0.00 0.00 54.58 51.56 1fqv n ASN 157 Cb 0.14 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 1fqv n ASN 157 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1fqv h GLN 158 N 0.09 0.49 -0.52 3.52 4.20 -1.35 -3.14 115.11 118.40 1fqv h GLN 158 Ca -0.00 -0.27 0.15 0.00 0.06 0.00 0.00 58.65 58.59 1fqv h GLN 158 Cb 1.10 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1fqv h GLN 158 CO 0.00 0.85 0.77 0.11 -0.67 0.00 0.00 178.83 179.89 1fqv h TRP 159 N 0.15 0.00 -0.00 2.96 5.08 -1.85 -3.53 115.95 118.76 1fqv h TRP 159 Ca 0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1fqv h TRP 159 Cb 0.77 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 1fqv h TRP 159 CO 0.08 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.24