#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkl n GLU 2 N 0.00 1.42 -0.01 0.03 -0.58 -1.26 -4.50 120.64 115.73 2qkl n GLU 2 Ca 0.00 -1.05 -0.11 0.00 -0.42 0.00 0.00 57.16 55.58 2qkl n GLU 2 Cb 0.00 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.35 2qkl n GLU 2 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2qkl h ASP 3 N 2.56 0.15 -0.16 1.62 5.19 -2.06 -0.90 116.42 122.83 2qkl h ASP 3 Ca 0.00 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.33 2qkl h ASP 3 Cb 0.70 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 2qkl h ASP 3 CO 0.00 0.11 -0.10 -0.33 -3.12 0.00 0.00 179.24 175.80 2qkl h GLU 4 N 0.18 0.51 -0.38 3.56 5.08 -2.00 -1.29 114.58 120.24 2qkl h GLU 4 Ca 0.05 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2qkl h GLU 4 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2qkl h GLU 4 CO -0.01 0.61 -0.16 -0.91 -1.00 0.00 0.00 179.01 177.55 2qkl h ASN 5 N 0.47 0.79 -0.78 1.42 2.35 -1.75 -1.72 115.58 116.36 2qkl h ASN 5 Ca 0.09 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.47 2qkl h ASN 5 Cb 0.47 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 2qkl h ASN 5 CO 0.03 1.01 0.50 0.40 -1.65 0.00 0.00 177.43 177.72 2qkl h ILE 6 N 0.57 1.15 -0.27 2.81 2.04 -0.82 -1.96 117.51 121.03 2qkl h ILE 6 Ca 0.09 -0.34 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 2qkl h ILE 6 Cb 0.70 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2qkl h ILE 6 CO 0.05 0.18 -0.24 -0.07 0.00 0.00 0.00 178.15 178.07 2qkl h LEU 7 N 1.00 0.68 -0.35 1.44 -0.00 -1.21 -2.09 115.31 114.78 2qkl h LEU 7 Ca 0.30 -0.46 0.04 0.00 -0.00 0.00 0.00 57.88 57.75 2qkl h LEU 7 Cb -0.05 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.38 2qkl h LEU 7 CO -0.09 1.00 0.14 -0.09 -0.00 0.00 0.00 178.44 179.40 2qkl h ARG 8 N 0.37 0.29 -0.98 1.13 2.43 -1.29 0.15 114.38 116.48 2qkl h ARG 8 Ca 0.05 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2qkl h ARG 8 Cb 0.80 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2qkl h ARG 8 CO 0.06 0.19 0.64 -0.97 -1.51 0.00 0.00 179.97 178.39 2qkl h ASN 9 N 0.30 1.09 -0.42 -3.80 -1.24 -1.30 0.38 115.58 110.59 2qkl h ASN 9 Ca 0.16 -0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.05 2qkl h ASN 9 Cb 0.12 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 2qkl h ASN 9 CO -0.15 0.77 -0.14 0.00 -1.29 0.00 0.00 177.43 176.63 2qkl h ALA 10 N 1.41 0.58 0.05 1.57 0.00 -0.94 -0.01 119.26 121.91 2qkl h ALA 10 Ca 0.37 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2qkl h ALA 10 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2qkl h ALA 10 CO -0.10 0.49 -0.02 0.28 0.00 0.00 0.00 179.25 179.89 2qkl h VAL 11 N 0.65 1.16 -0.50 0.00 2.07 -0.73 -1.76 116.25 117.13 2qkl h VAL 11 Ca 0.10 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2qkl h VAL 11 Cb 0.68 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 31.96 2qkl h VAL 11 CO 0.05 0.17 -0.19 0.78 0.02 0.00 0.00 177.57 178.40 2qkl h ASN 12 N -0.37 -0.68 -0.42 0.57 -0.26 -0.90 -1.88 115.58 111.65 2qkl h ASN 12 Ca -0.01 0.17 -0.09 0.00 -0.56 0.00 0.00 56.30 55.81 2qkl h ASN 12 Cb 0.33 0.39 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 2qkl h ASN 12 CO 0.01 -0.22 -0.08 0.25 -1.06 0.00 0.00 177.43 176.33 2qkl h LEU 13 N -0.08 0.85 -0.81 1.61 5.85 -0.97 -1.62 115.31 120.14 2qkl h LEU 13 Ca 0.24 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2qkl h LEU 13 Cb 0.44 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2qkl h LEU 13 CO -0.56 0.96 0.50 -0.61 -0.34 0.00 0.00 178.44 178.39 2qkl h GLN 14 N 0.78 1.09 -0.40 1.25 4.15 -0.98 -1.31 115.11 119.69 2qkl h GLN 14 Ca 0.13 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 2qkl h GLN 14 Cb 0.58 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2qkl h GLN 14 CO 0.04 0.76 0.01 0.28 -1.93 0.00 0.00 178.83 177.99 2qkl h VAL 15 N 1.11 1.26 -0.50 2.39 2.07 -1.10 -2.13 116.25 119.34 2qkl h VAL 15 Ca 0.29 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.86 2qkl h VAL 15 Cb -0.07 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2qkl h VAL 15 CO -0.06 0.33 0.28 -0.07 0.02 0.00 0.00 177.57 178.07 2qkl h LEU 16 N 0.53 0.43 -1.27 2.57 3.38 -1.11 -2.43 115.31 117.41 2qkl h LEU 16 Ca 0.12 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2qkl h LEU 16 Cb 0.45 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2qkl h LEU 16 CO 0.02 0.30 -0.34 0.11 0.09 0.00 0.00 178.44 178.62 2qkl h LYS 17 N 0.55 0.00 -0.59 1.13 1.57 -1.22 0.39 116.57 118.40 2qkl h LYS 17 Ca 0.21 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2qkl h LYS 17 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2qkl h LYS 17 CO -0.12 0.34 0.39 0.35 -0.57 0.00 0.00 179.45 179.83 2qkl h PHE 18 N 0.00 0.74 0.23 -1.35 3.57 -0.90 -2.73 116.94 116.50 2qkl h PHE 18 Ca -0.00 0.02 -0.31 0.00 3.53 0.00 0.00 57.97 61.20 2qkl h PHE 18 Cb 0.68 -0.25 0.03 0.00 2.79 0.00 0.00 35.95 39.20 2qkl h PHE 18 CO 0.00 0.47 -1.39 0.45 -2.23 0.00 0.00 178.31 175.61 2qkl h HIS 19 N 0.80 0.88 -2.88 0.41 3.86 -1.18 -3.43 115.15 113.61 2qkl h HIS 19 Ca 0.22 -0.64 -0.60 0.00 -1.16 0.00 0.00 60.37 58.19 2qkl h HIS 19 Cb -0.09 -0.04 -0.40 0.00 1.06 0.00 0.00 27.41 27.95 2qkl h HIS 19 CO -0.03 1.53 -0.78 0.71 0.86 0.00 0.00 177.93 180.22 2qkl s TYR 20 N -2.56 1.49 0.62 2.45 1.51 0.13 -5.02 117.35 115.97 2qkl s TYR 20 Ca -0.11 -2.03 0.41 0.00 -1.01 0.00 0.00 57.07 54.33 2qkl s TYR 20 Cb 0.04 -1.53 2.26 0.00 -0.11 0.00 0.00 41.96 42.62 2qkl s TYR 20 CO 0.92 -0.81 2.33 -1.35 -1.11 0.00 0.00 175.55 175.53 2qkl h PRO 21 N 7.05 0.00 0.00 -1.71 0.11 -1.72 -2.25 132.00 133.47 2qkl h PRO 21 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2qkl h PRO 21 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2qkl h PRO 21 CO 0.41 0.00 -0.13 0.39 -0.21 0.00 0.00 178.00 178.46 2qkl n GLU 22 N -3.23 0.15 -1.80 1.05 4.71 -1.26 -4.85 120.64 115.41 2qkl n GLU 22 Ca -0.03 0.10 -0.42 0.00 -0.01 0.00 0.00 57.16 56.81 2qkl n GLU 22 Cb 0.09 -1.66 -0.02 0.00 -1.01 0.00 0.00 31.44 28.84 2qkl n GLU 22 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2qkl s ILE 23 N -3.07 2.15 -0.13 -3.67 1.01 -0.85 -0.40 121.20 116.24 2qkl s ILE 23 Ca 0.11 0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2qkl s ILE 23 Cb 0.15 -3.08 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 2qkl s ILE 23 CO 0.60 0.02 -0.10 1.21 0.00 0.00 0.00 174.94 176.66 2qkl n GLU 24 N 2.68 0.56 -3.47 2.79 2.13 0.63 -4.82 120.64 121.15 2qkl n GLU 24 Ca 0.10 0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.85 2qkl n GLU 24 Cb 0.37 -1.27 -0.04 0.00 0.27 0.00 0.00 31.44 30.78 2qkl n GLU 24 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2qkl s SER 25 N -5.19 -0.58 -0.19 4.31 1.04 -0.95 -5.01 113.70 107.12 2qkl s SER 25 Ca -0.17 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 2qkl s SER 25 Cb 0.05 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 2qkl s SER 25 CO 0.33 -0.84 0.17 -0.63 0.98 0.00 0.00 173.24 173.25 2qkl s ILE 26 N -2.86 5.38 -0.17 -1.02 1.01 -1.26 -1.11 121.20 121.16 2qkl s ILE 26 Ca -0.03 0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.69 2qkl s ILE 26 Cb -0.01 -3.51 -0.18 0.00 0.01 0.00 0.00 42.46 38.77 2qkl s ILE 26 CO -0.05 0.42 0.32 0.40 0.00 0.00 0.00 174.94 176.02 2qkl h ILE 27 N 4.71 1.01 -2.29 2.92 2.04 -0.51 -3.48 117.51 121.91 2qkl h ILE 27 Ca -0.41 -2.02 0.02 0.00 1.00 0.00 0.00 64.86 63.45 2qkl h ILE 27 Cb 1.15 2.17 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2qkl h ILE 27 CO 0.75 0.34 0.17 -0.67 0.00 0.00 0.00 178.15 178.74 2qkl n ASP 28 N -4.53 -0.92 -3.81 1.72 -0.08 -1.16 -5.01 116.55 102.76 2qkl n ASP 28 Ca -0.21 -1.59 -0.12 0.00 -1.51 0.00 0.00 54.79 51.35 2qkl n ASP 28 Cb 0.53 1.53 -0.11 0.00 2.34 0.00 0.00 41.12 45.41 2qkl n ASP 28 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2qkl s ILE 29 N -2.52 0.02 -0.12 5.18 1.01 -1.26 -1.02 121.20 122.49 2qkl s ILE 29 Ca 0.08 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.62 2qkl s ILE 29 Cb -0.02 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.12 2qkl s ILE 29 CO 0.04 -0.08 -0.19 0.00 0.00 0.00 0.00 174.94 174.72 2qkl s ALA 30 N -0.21 1.97 0.26 9.38 0.00 -0.05 -5.01 121.76 128.10 2qkl s ALA 30 Ca -0.03 -0.91 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2qkl s ALA 30 Cb -0.03 -0.90 0.51 0.00 0.00 0.00 0.00 23.12 22.71 2qkl s ALA 30 CO 0.01 -0.02 1.75 0.77 0.00 0.00 0.00 175.76 178.27 2qkl h SER 31 N 7.31 0.47 -2.24 0.00 0.02 -1.91 -0.47 113.55 116.73 2qkl h SER 31 Ca -0.31 0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.56 2qkl h SER 31 Cb 1.19 0.03 -0.31 0.00 0.14 0.00 0.00 62.40 63.45 2qkl h SER 31 CO 0.52 0.19 -0.49 -2.28 -1.14 0.00 0.00 176.83 173.62 2qkl s HIS 32 N -5.98 -0.67 -0.00 3.45 2.46 -1.26 -3.59 115.29 109.70 2qkl s HIS 32 Ca -0.12 0.85 0.02 0.00 0.47 0.00 0.00 55.06 56.28 2qkl s HIS 32 Cb 0.21 -0.01 -0.00 0.00 -0.13 0.00 0.00 32.58 32.65 2qkl s HIS 32 CO 0.78 -0.61 -0.06 0.08 -2.47 0.00 0.00 174.74 172.46 2qkl s VAL 33 N 2.50 0.46 0.09 0.89 1.01 -0.29 -2.59 120.40 122.46 2qkl s VAL 33 Ca 0.08 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2qkl s VAL 33 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2qkl s VAL 33 CO -0.14 0.13 -0.09 0.00 0.00 0.00 0.00 175.10 175.00 2qkl s ALA 34 N -0.13 2.98 -0.14 5.51 0.00 -0.39 -1.79 121.76 127.81 2qkl s ALA 34 Ca 0.02 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 2qkl s ALA 34 Cb -0.02 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2qkl s ALA 34 CO -0.00 0.64 0.06 0.08 0.00 0.00 0.00 175.76 176.54 2qkl s VAL 35 N -1.19 4.75 0.33 0.00 1.01 -0.86 -0.96 120.40 123.48 2qkl s VAL 35 Ca 0.21 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.21 2qkl s VAL 35 Cb -0.11 -3.09 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 2qkl s VAL 35 CO 0.13 0.53 -0.08 -0.31 0.00 0.00 0.00 175.10 175.37 2qkl s TYR 36 N -0.21 2.26 0.15 5.22 1.51 0.95 -1.64 117.35 125.59 2qkl s TYR 36 Ca 0.07 -0.57 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2qkl s TYR 36 Cb -0.12 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.43 2qkl s TYR 36 CO 0.01 0.49 0.00 1.04 -1.11 0.00 0.00 175.55 175.98 2qkl n GLN 37 N -0.73 0.00 0.00 -0.62 6.02 -0.49 -1.62 117.38 119.94 2qkl n GLN 37 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2qkl n GLN 37 Cb 0.63 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 31.53 2qkl n GLN 37 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qkl n PHE 38 N -3.48 0.00 -3.69 1.08 7.35 -1.26 -4.76 117.46 112.70 2qkl n PHE 38 Ca 0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 2qkl n PHE 38 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 2qkl n PHE 38 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2qkl s TRP 45 N -0.79 3.24 -0.12 -5.13 0.52 -1.26 -5.08 118.94 110.33 2qkl s TRP 45 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 56.10 54.93 2qkl s TRP 45 Cb 0.00 -2.34 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 2qkl s TRP 45 CO 0.00 -0.68 -0.14 -0.51 0.02 0.00 0.00 176.95 175.64 2qkl s LEU 46 N 1.47 2.68 0.11 2.99 1.43 -1.26 -5.10 118.68 121.00 2qkl s LEU 46 Ca 0.00 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.47 2qkl s LEU 46 Cb -0.19 -1.59 -0.08 0.00 0.03 0.00 0.00 46.19 44.36 2qkl s LEU 46 CO 0.04 0.18 1.35 -0.75 0.23 0.00 0.00 176.35 177.41 2qkl s LYS 47 N 0.23 4.34 0.78 1.70 2.20 -1.26 -1.40 119.74 126.34 2qkl s LYS 47 Ca -0.09 2.02 -0.06 0.00 -0.36 0.00 0.00 55.97 57.48 2qkl s LYS 47 Cb -0.15 -3.26 0.14 0.00 -1.51 0.00 0.00 37.83 33.04 2qkl s LYS 47 CO 0.05 -0.40 1.09 0.95 -0.36 0.00 0.00 175.35 176.68 2qkl s THR 48 N 1.05 2.13 -1.30 3.43 -4.23 -0.65 -4.96 115.64 111.11 2qkl s THR 48 Ca 0.63 -0.37 0.20 0.00 -1.18 0.00 0.00 61.69 60.97 2qkl s THR 48 Cb -0.36 -2.77 0.30 0.00 1.34 0.00 0.00 72.50 71.01 2qkl s THR 48 CO 0.30 0.00 1.63 -1.54 -0.54 0.00 0.00 174.62 174.48 2qkl n SER 49 N -3.11 0.00 -4.60 3.99 3.41 -1.26 -4.82 113.62 107.23 2qkl n SER 49 Ca 0.14 0.15 -0.40 0.00 -0.26 0.00 0.00 58.87 58.49 2qkl n SER 49 Cb 0.60 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.12 2qkl n SER 49 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qkl s ILE 50 N -2.70 5.06 -0.21 -1.33 1.01 -1.26 -4.56 121.20 117.21 2qkl s ILE 50 Ca 0.16 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.38 2qkl s ILE 50 Cb 0.13 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.81 2qkl s ILE 50 CO 0.32 0.00 0.52 -0.70 0.00 0.00 0.00 174.94 175.09 2qkl s GLU 51 N 2.32 0.53 0.00 2.79 2.12 -1.26 -2.02 118.70 123.17 2qkl s GLU 51 Ca 0.20 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.45 2qkl s GLU 51 Cb -0.16 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.32 2qkl s GLU 51 CO 0.10 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2qkl n GLY 52 N 4.04 -0.58 3.75 -1.50 0.00 -0.74 -0.36 105.19 109.80 2qkl n GLY 52 Ca -0.21 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 2qkl n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkl s THR 53 N -3.50 3.61 -0.25 2.61 2.01 -1.24 -1.14 115.64 117.75 2qkl s THR 53 Ca 0.00 1.55 -0.08 0.00 0.31 0.00 0.00 61.69 63.47 2qkl s THR 53 Cb 0.00 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 2qkl s THR 53 CO 0.00 0.34 0.08 0.12 -0.69 0.00 0.00 174.62 174.47 2qkl s PHE 54 N -0.90 3.10 -0.26 4.92 5.36 -0.19 -1.86 117.98 128.16 2qkl s PHE 54 Ca 0.46 -0.35 -0.05 0.00 -0.96 0.00 0.00 56.93 56.03 2qkl s PHE 54 Cb -0.31 -2.23 0.01 0.00 -0.34 0.00 0.00 43.02 40.14 2qkl s PHE 54 CO 0.39 -0.31 0.01 -0.06 -1.46 0.00 0.00 175.22 173.79 2qkl s PHE 55 N 1.53 3.07 -0.16 10.12 0.08 0.11 -0.87 117.98 131.85 2qkl s PHE 55 Ca 0.06 -1.08 -0.28 0.00 0.12 0.00 0.00 56.93 55.74 2qkl s PHE 55 Cb -0.15 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 2qkl s PHE 55 CO 0.04 -0.59 0.98 -1.17 -0.10 0.00 0.00 175.22 174.37 2qkl s LEU 56 N 1.46 4.18 0.12 -0.37 2.96 -0.19 -0.87 118.68 125.97 2qkl s LEU 56 Ca 0.03 1.40 0.07 0.00 -0.22 0.00 0.00 54.13 55.41 2qkl s LEU 56 Cb -0.16 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 2qkl s LEU 56 CO -0.01 -0.50 -0.16 0.68 -1.32 0.00 0.00 176.35 175.03 2qkl s VAL 57 N 2.41 1.47 -0.06 1.68 -7.23 0.14 0.27 120.40 119.09 2qkl s VAL 57 Ca 0.45 -1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2qkl s VAL 57 Cb -0.17 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2qkl s VAL 57 CO 0.13 -0.28 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.09 2qkl s LYS 58 N -2.36 2.88 0.38 4.82 1.02 -0.27 -1.40 119.74 124.81 2qkl s LYS 58 Ca 0.08 -0.49 0.05 0.00 0.02 0.00 0.00 55.97 55.62 2qkl s LYS 58 Cb -0.07 -2.72 0.05 0.00 -0.52 0.00 0.00 37.83 34.57 2qkl s LYS 58 CO 0.04 0.67 0.42 -0.40 -0.92 0.00 0.00 175.35 175.16 2qkl n ASP 59 N 1.94 1.78 -0.32 2.83 5.75 -0.60 -0.27 116.55 127.65 2qkl n ASP 59 Ca -0.17 -2.15 0.04 0.00 -0.01 0.00 0.00 54.79 52.50 2qkl n ASP 59 Cb 0.53 -0.17 0.19 0.00 -1.03 0.00 0.00 41.12 40.64 2qkl n ASP 59 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2qkl h GLN 60 N 0.00 0.88 -0.57 0.11 5.75 -1.05 -1.59 115.11 118.65 2qkl h GLN 60 Ca -0.21 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 2qkl h GLN 60 Cb 0.85 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.20 2qkl h GLN 60 CO 0.31 0.58 0.00 0.54 -2.65 0.00 0.00 178.83 177.62 2qkl n ARG 61 N -4.67 2.46 -1.09 1.69 5.12 -1.26 -4.91 116.66 114.00 2qkl n ARG 61 Ca 0.15 -1.54 -0.03 0.00 -1.93 0.00 0.00 57.85 54.50 2qkl n ARG 61 Cb 0.28 -1.59 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 2qkl n ARG 61 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qkl n ALA 62 N 0.51 -0.05 -2.18 7.54 0.00 -0.60 -5.01 120.51 120.73 2qkl n ALA 62 Ca 0.14 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 2qkl n ALA 62 Cb 0.53 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 2qkl n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qkl s ARG 63 N -1.54 4.54 -0.05 0.00 0.52 -1.26 -4.79 118.95 116.38 2qkl s ARG 63 Ca 0.00 1.73 -0.15 0.00 -0.52 0.00 0.00 55.73 56.79 2qkl s ARG 63 Cb 0.00 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 2qkl s ARG 63 CO 0.00 -0.02 0.40 0.08 0.02 0.00 0.00 175.30 175.77 2qkl s VAL 64 N 0.15 5.11 0.12 3.52 1.01 -1.26 -1.56 120.40 127.49 2qkl s VAL 64 Ca 0.52 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 63.24 2qkl s VAL 64 Cb -0.29 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2qkl s VAL 64 CO 0.33 0.51 0.29 0.61 0.00 0.00 0.00 175.10 176.84 2qkl n GLY 65 N 2.29 1.50 3.04 4.51 0.00 -0.50 -0.90 105.19 115.14 2qkl n GLY 65 Ca -0.13 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 2qkl n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qkl s TYR 66 N -6.19 0.09 -0.09 1.61 -0.85 -0.02 0.25 117.35 112.15 2qkl s TYR 66 Ca 0.06 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.45 2qkl s TYR 66 Cb -0.01 -0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.23 2qkl s TYR 66 CO 0.03 -0.22 -0.20 0.08 -1.52 0.00 0.00 175.55 173.73 2qkl s VAL 67 N -1.17 2.47 -0.27 -3.49 1.01 -0.05 -1.89 120.40 117.02 2qkl s VAL 67 Ca -0.13 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 60.89 2qkl s VAL 67 Cb -0.07 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 2qkl s VAL 67 CO 0.00 0.56 0.06 -0.63 0.00 0.00 0.00 175.10 175.09 2qkl s ILE 68 N 0.05 4.00 -0.58 2.22 1.01 -0.21 0.05 121.20 127.73 2qkl s ILE 68 Ca -0.08 -0.47 -0.27 0.00 0.00 0.00 0.00 60.65 59.83 2qkl s ILE 68 Cb -0.15 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.40 2qkl s ILE 68 CO 0.05 0.23 1.13 -0.76 0.00 0.00 0.00 174.94 175.59 2qkl s LEU 69 N 1.54 3.62 0.13 2.97 1.43 -0.78 -2.51 118.68 125.08 2qkl s LEU 69 Ca 0.05 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 2qkl s LEU 69 Cb -0.16 -3.04 -0.08 0.00 0.03 0.00 0.00 46.19 42.94 2qkl s LEU 69 CO 0.02 -1.43 1.35 0.21 0.23 0.00 0.00 176.35 176.73 2qkl s ASN 70 N 2.98 6.87 0.26 2.29 2.47 -1.26 -3.63 114.94 124.91 2qkl s ASN 70 Ca 0.39 2.31 0.21 0.00 0.42 0.00 0.00 52.86 56.19 2qkl s ASN 70 Cb -0.09 -2.59 0.09 0.00 -1.45 0.00 0.00 41.25 37.21 2qkl s ASN 70 CO 0.23 -0.61 1.22 0.03 -3.72 0.00 0.00 177.10 174.26 2qkl h ARG 71 N 6.49 0.00 0.00 0.43 3.08 -1.05 -3.39 114.38 119.94 2qkl h ARG 71 Ca -0.43 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.39 2qkl h ARG 71 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.22 2qkl h ARG 71 CO 0.84 0.09 -1.30 -0.91 -1.07 0.00 0.00 179.97 177.61 2qkl h ASN 72 N 0.00 0.00 -5.04 7.04 2.35 -1.81 -3.49 115.58 114.64 2qkl h ASN 72 Ca -0.02 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2qkl h ASN 72 Cb 1.11 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.44 2qkl h ASN 72 CO 0.01 0.93 0.19 -0.94 -1.65 0.00 0.00 177.43 175.97 2qkl s SER 73 N -6.34 -0.13 0.00 5.81 1.04 -1.26 -5.03 113.70 107.79 2qkl s SER 73 Ca -0.02 -0.83 0.26 0.00 0.48 0.00 0.00 55.95 55.85 2qkl s SER 73 Cb 0.09 0.75 1.52 0.00 0.10 0.00 0.00 66.02 68.47 2qkl s SER 73 CO 0.82 -1.43 1.91 -2.65 0.98 0.00 0.00 173.24 172.87 2qkl n PRO 74 N -0.48 0.74 -2.39 4.02 -0.02 -1.26 -4.52 135.00 131.10 2qkl n PRO 74 Ca -0.05 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.01 2qkl n PRO 74 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 2qkl n PRO 74 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2qkl s GLU 75 N -2.09 3.61 0.39 -0.52 8.01 -1.26 -4.91 118.70 121.93 2qkl s GLU 75 Ca 0.37 0.90 0.05 0.00 0.01 0.00 0.00 54.97 56.29 2qkl s GLU 75 Cb 0.18 -4.00 -0.00 0.00 -4.31 0.00 0.00 34.13 25.99 2qkl s GLU 75 CO 0.32 -1.52 0.56 -0.80 0.01 0.00 0.00 175.26 173.82 2qkl s ASN 76 N 3.68 5.84 -0.10 -0.19 0.01 -1.26 -4.48 114.94 118.44 2qkl s ASN 76 Ca 0.59 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.69 2qkl s ASN 76 Cb -0.13 -1.22 -0.02 0.00 0.41 0.00 0.00 41.25 40.30 2qkl s ASN 76 CO 0.32 -0.60 -0.16 -0.22 -1.51 0.00 0.00 177.10 174.93 2qkl s LEU 77 N -4.34 2.61 -0.12 0.60 2.96 -1.04 -5.00 118.68 114.35 2qkl s LEU 77 Ca 0.48 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 54.05 2qkl s LEU 77 Cb -0.10 -1.55 0.04 0.00 0.50 0.00 0.00 46.19 45.08 2qkl s LEU 77 CO 0.34 0.23 0.02 -0.47 -1.32 0.00 0.00 176.35 175.15 2qkl s TYR 78 N -0.04 0.72 0.05 5.38 5.04 -1.26 -1.05 117.35 126.20 2qkl s TYR 78 Ca -0.04 -0.37 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 2qkl s TYR 78 Cb -0.14 -0.85 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 2qkl s TYR 78 CO 0.04 -0.42 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.22 2qkl s LEU 79 N 1.96 2.27 0.12 6.97 1.43 -0.79 -4.99 118.68 125.64 2qkl s LEU 79 Ca 0.03 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.46 2qkl s LEU 79 Cb -0.14 -0.24 -0.06 0.00 0.03 0.00 0.00 46.19 45.78 2qkl s LEU 79 CO -0.06 -0.18 0.42 -0.36 0.23 0.00 0.00 176.35 176.40 2qkl s PHE 80 N -1.42 3.54 -0.40 0.29 0.08 -1.26 -0.84 117.98 117.98 2qkl s PHE 80 Ca -0.08 0.76 -0.11 0.00 0.12 0.00 0.00 56.93 57.63 2qkl s PHE 80 Cb -0.10 -2.15 0.05 0.00 -0.57 0.00 0.00 43.02 40.25 2qkl s PHE 80 CO 0.01 0.46 0.24 0.42 -0.10 0.00 0.00 175.22 176.25 2qkl s ILE 81 N -1.52 4.53 0.07 0.64 1.01 -0.08 -4.94 121.20 120.91 2qkl s ILE 81 Ca 0.37 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2qkl s ILE 81 Cb -0.13 -3.62 -0.25 0.00 0.01 0.00 0.00 42.46 38.47 2qkl s ILE 81 CO 0.20 -0.36 1.11 0.78 0.00 0.00 0.00 174.94 176.68 2qkl h ASN 82 N 8.46 0.21 -4.04 3.58 -0.26 -1.93 -3.40 115.58 118.21 2qkl h ASN 82 Ca -0.25 -0.25 -0.17 0.00 -0.56 0.00 0.00 56.30 55.08 2qkl h ASN 82 Cb 1.10 -0.07 -0.25 0.00 -1.06 0.00 0.00 38.32 38.04 2qkl h ASN 82 CO 0.72 1.20 -0.47 -1.00 -1.06 0.00 0.00 177.43 176.81 2qkl s HIS 83 N -2.67 -0.18 0.53 1.19 3.76 -1.26 -5.05 115.29 111.61 2qkl s HIS 83 Ca -0.03 0.44 0.20 0.00 -0.15 0.00 0.00 55.06 55.52 2qkl s HIS 83 Cb 0.08 0.06 1.35 0.00 1.11 0.00 0.00 32.58 35.18 2qkl s HIS 83 CO 0.85 -0.15 2.10 -1.00 -0.85 0.00 0.00 174.74 175.69 2qkl h PRO 84 N 5.50 0.00 0.00 8.40 0.13 -1.89 0.27 132.00 144.41 2qkl h PRO 84 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2qkl h PRO 84 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qkl h PRO 84 CO 0.38 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.02 2qkl n SER 85 N -4.43 0.61 0.04 1.44 3.41 -1.26 -2.76 113.62 110.67 2qkl n SER 85 Ca 0.01 0.72 0.08 0.00 -0.26 0.00 0.00 58.87 59.43 2qkl n SER 85 Cb 0.26 -0.83 0.35 0.00 -0.26 0.00 0.00 64.21 63.73 2qkl n SER 85 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qkl n ASN 86 N -2.26 0.18 -4.09 4.04 3.02 0.08 -4.72 115.26 111.52 2qkl n ASN 86 Ca 0.00 0.55 -0.29 0.00 -0.03 0.00 0.00 54.58 54.80 2qkl n ASN 86 Cb 0.12 -0.58 -0.17 0.00 -0.61 0.00 0.00 39.78 38.54 2qkl n ASN 86 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qkl s VAL 87 N -3.09 1.63 0.07 2.41 1.01 -1.11 0.02 120.40 121.34 2qkl s VAL 87 Ca 0.06 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2qkl s VAL 87 Cb 0.09 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 2qkl s VAL 87 CO 0.28 0.47 -0.12 -1.00 0.00 0.00 0.00 175.10 174.73 2qkl s HIS 88 N 0.90 1.07 -0.41 5.22 3.76 -0.30 -4.98 115.29 120.55 2qkl s HIS 88 Ca -0.08 -0.52 -0.18 0.00 -0.15 0.00 0.00 55.06 54.14 2qkl s HIS 88 Cb -0.15 -0.60 0.02 0.00 1.11 0.00 0.00 32.58 32.95 2qkl s HIS 88 CO -0.01 0.02 0.49 -0.51 -0.85 0.00 0.00 174.74 173.88 2qkl s LEU 89 N -1.90 4.68 -0.21 0.89 1.43 -1.26 -0.21 118.68 122.09 2qkl s LEU 89 Ca -0.01 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 2qkl s LEU 89 Cb -0.08 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.70 2qkl s LEU 89 CO 0.01 -0.59 -0.11 -0.69 0.23 0.00 0.00 176.35 175.20 2qkl s VAL 90 N 2.31 1.79 0.00 -1.59 1.01 -0.64 -4.99 120.40 118.29 2qkl s VAL 90 Ca 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 60.96 2qkl s VAL 90 Cb -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2qkl s VAL 90 CO 0.15 0.13 0.00 0.47 0.00 0.00 0.00 175.10 175.85 2qkl n ASP 91 N 4.62 0.00 -0.95 3.32 8.00 -1.26 -1.62 116.55 128.66 2qkl n ASP 91 Ca -0.15 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.46 2qkl n ASP 91 Cb 0.46 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.82 2qkl n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qkl n ARG 92 N 13.79 2.24 -4.40 -1.24 5.12 -1.26 -4.94 116.66 125.97 2qkl n ARG 92 Ca 0.00 -1.87 -0.35 0.00 -1.93 0.00 0.00 57.85 53.71 2qkl n ARG 92 Cb 0.00 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 29.73 2qkl n ARG 92 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2qkl s TYR 93 N -1.60 3.13 -0.60 -1.55 2.02 -0.64 -4.50 117.35 113.62 2qkl s TYR 93 Ca 0.36 0.17 -0.26 0.00 -0.37 0.00 0.00 57.07 56.97 2qkl s TYR 93 Cb 0.21 -1.78 0.04 0.00 -0.40 0.00 0.00 41.96 40.02 2qkl s TYR 93 CO 0.29 0.44 1.07 -1.17 -1.57 0.00 0.00 175.55 174.62 2qkl s LEU 94 N -0.84 3.79 -0.11 -1.29 2.96 -0.31 -1.63 118.68 121.25 2qkl s LEU 94 Ca 0.13 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.55 2qkl s LEU 94 Cb -0.11 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 2qkl s LEU 94 CO 0.02 -1.41 0.63 -0.63 -1.32 0.00 0.00 176.35 173.63 2qkl s ILE 95 N 4.53 5.08 -0.25 6.68 1.01 0.70 -1.03 121.20 137.92 2qkl s ILE 95 Ca 0.34 1.26 0.02 0.00 0.00 0.00 0.00 60.65 62.28 2qkl s ILE 95 Cb -0.11 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.46 2qkl s ILE 95 CO 0.20 0.24 -0.10 -2.28 0.00 0.00 0.00 174.94 173.00 2qkl s HIS 96 N 0.98 3.05 -0.13 3.97 5.65 0.08 -1.15 115.29 127.75 2qkl s HIS 96 Ca 0.33 -2.18 -0.02 0.00 0.25 0.00 0.00 55.06 53.43 2qkl s HIS 96 Cb -0.17 -1.84 -0.03 0.00 -1.18 0.00 0.00 32.58 29.36 2qkl s HIS 96 CO 0.14 -0.85 -0.04 0.50 -0.65 0.00 0.00 174.74 173.84 2qkl s ARG 97 N 1.17 3.40 -0.13 2.88 3.52 0.10 -1.29 118.95 128.60 2qkl s ARG 97 Ca -0.08 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.01 2qkl s ARG 97 Cb -0.20 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 2qkl s ARG 97 CO -0.05 0.38 -0.16 0.99 -0.81 0.00 0.00 175.30 175.65 2qkl s THR 98 N -0.03 2.74 0.00 4.11 2.01 0.37 -4.67 115.64 120.18 2qkl s THR 98 Ca 0.01 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2qkl s THR 98 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2qkl s THR 98 CO 0.03 0.53 0.00 1.21 -0.69 0.00 0.00 174.62 175.69 2qkl n GLU 99 N 3.67 0.00 -1.86 4.92 4.07 -1.26 -1.88 120.64 128.30 2qkl n GLU 99 Ca -0.19 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.50 2qkl n GLU 99 Cb 0.52 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.90 2qkl n GLU 99 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2qkl n ASN 100 N 0.52 5.61 -3.24 4.31 5.03 -1.26 -4.59 115.26 121.64 2qkl n ASN 100 Ca 0.00 -2.91 -0.23 0.00 0.87 0.00 0.00 54.58 52.32 2qkl n ASN 100 Cb 0.00 -1.55 0.06 0.00 -1.02 0.00 0.00 39.78 37.26 2qkl n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qkl n GLN 101 N 4.47 -6.26 -3.32 3.52 1.13 -1.15 -4.96 117.38 110.81 2qkl n GLN 101 Ca 0.55 0.86 -0.45 0.00 -1.94 0.00 0.00 57.00 56.02 2qkl n GLN 101 Cb 0.34 -5.78 -0.07 0.00 0.11 0.00 0.00 30.24 24.84 2qkl n GLN 101 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 2qkl s HIS 102 N -3.24 3.20 -0.11 1.08 3.76 -0.79 -4.95 115.29 114.24 2qkl s HIS 102 Ca 0.43 -0.97 0.01 0.00 -0.15 0.00 0.00 55.06 54.38 2qkl s HIS 102 Cb -0.19 -3.44 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 2qkl s HIS 102 CO 0.53 -0.92 -0.13 0.08 -0.85 0.00 0.00 174.74 173.45 2qkl s VAL 103 N 1.83 3.11 -0.04 -0.90 1.01 -1.26 -0.48 120.40 123.68 2qkl s VAL 103 Ca 0.06 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.45 2qkl s VAL 103 Cb -0.25 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2qkl s VAL 103 CO 0.06 0.54 -0.25 -0.69 0.00 0.00 0.00 175.10 174.76 2qkl s VAL 104 N 0.01 2.04 -0.18 2.92 1.01 -0.41 -4.79 120.40 121.00 2qkl s VAL 104 Ca -0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 2qkl s VAL 104 Cb -0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2qkl s VAL 104 CO 0.04 0.57 -0.06 -0.83 0.00 0.00 0.00 175.10 174.82 2qkl s GLY 105 N -0.39 1.63 -0.23 4.51 0.00 -0.64 -0.74 107.32 111.46 2qkl s GLY 105 Ca 0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 44.72 43.70 2qkl s GLY 105 CO 0.01 0.11 0.08 1.08 0.00 0.00 0.00 173.10 174.38 2qkl s LEU 106 N 0.82 3.60 -0.37 0.66 1.43 -0.20 -0.04 118.68 124.58 2qkl s LEU 106 Ca -0.02 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 2qkl s LEU 106 Cb -0.15 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.14 2qkl s LEU 106 CO 0.01 0.03 0.22 0.86 0.23 0.00 0.00 176.35 177.70 2qkl s TRP 107 N 1.23 3.23 -0.33 0.29 -0.00 -0.13 -1.16 118.94 122.07 2qkl s TRP 107 Ca 0.05 -0.77 -0.19 0.00 -0.00 0.00 0.00 56.10 55.18 2qkl s TRP 107 Cb -0.14 -2.46 -0.01 0.00 -0.00 0.00 0.00 33.47 30.86 2qkl s TRP 107 CO 0.04 -0.59 0.59 -1.64 -0.00 0.00 0.00 176.95 175.35 2qkl s MET 108 N 1.60 3.77 0.18 5.86 -1.94 -1.26 -1.26 119.30 126.24 2qkl s MET 108 Ca 0.03 0.09 -0.31 0.00 -1.71 0.00 0.00 55.69 53.79 2qkl s MET 108 Cb -0.19 -3.77 -0.09 0.00 2.01 0.00 0.00 34.83 32.79 2qkl s MET 108 CO 0.08 -0.62 1.45 -0.06 -0.01 0.00 0.00 175.02 175.85 2qkl s PHE 109 N 2.55 3.13 -0.03 -0.03 0.40 -1.07 -4.05 117.98 118.88 2qkl s PHE 109 Ca 0.23 0.91 -0.01 0.00 -0.60 0.00 0.00 56.93 57.45 2qkl s PHE 109 Cb -0.15 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.60 2qkl s PHE 109 CO 0.13 -2.72 0.02 -3.47 0.70 0.00 0.00 175.22 169.88 2qkl n ASP 110 N 3.33 -2.02 0.18 1.36 2.03 -1.26 -4.77 116.55 115.40 2qkl n ASP 110 Ca 0.10 0.17 0.14 0.00 0.52 0.00 0.00 54.79 55.71 2qkl n ASP 110 Cb 0.41 -1.52 0.58 0.00 -0.72 0.00 0.00 41.12 39.87 2qkl n ASP 110 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2qkl h PRO 111 N 0.46 0.00 -0.31 -0.67 0.11 -2.01 -2.82 132.00 126.76 2qkl h PRO 111 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2qkl h PRO 111 Cb 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 2qkl h PRO 111 CO 0.00 0.00 0.20 -0.91 -0.21 0.00 0.00 178.00 177.09 2qkl h ASN 112 N 0.00 0.36 1.15 -2.05 2.35 -1.92 -2.97 115.58 112.50 2qkl h ASN 112 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2qkl h ASN 112 Cb 0.35 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2qkl h ASN 112 CO 0.00 0.26 0.00 0.44 -1.65 0.00 0.00 177.43 176.48 2qkl h ASP 113 N 0.42 0.00 0.98 5.81 3.32 -1.83 -2.87 116.42 122.25 2qkl h ASP 113 Ca 0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2qkl h ASP 113 Cb -0.05 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.51 2qkl h ASP 113 CO -0.02 0.00 -0.47 0.24 -1.72 0.00 0.00 179.24 177.26 2qkl h MET 114 N 0.00 -1.27 -0.20 3.56 2.86 -1.72 0.56 114.93 118.72 2qkl h MET 114 Ca 0.00 0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 2qkl h MET 114 Cb 0.58 0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.51 2qkl h MET 114 CO 0.00 -0.85 -0.26 0.66 1.06 0.00 0.00 176.91 177.52 2qkl h SER 115 N -1.33 0.37 0.44 1.22 4.64 -1.74 -2.07 113.55 115.09 2qkl h SER 115 Ca -0.13 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.04 2qkl h SER 115 Cb 1.01 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2qkl h SER 115 CO 0.22 0.64 -0.21 -0.09 -0.87 0.00 0.00 176.83 176.52 2qkl h ARG 116 N 0.33 -0.57 -0.42 4.77 2.43 -1.47 -1.46 114.38 117.99 2qkl h ARG 116 Ca 0.05 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2qkl h ARG 116 Cb 0.64 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2qkl h ARG 116 CO 0.05 -0.26 0.09 0.82 -1.51 0.00 0.00 179.97 179.15 2qkl h ILE 117 N -0.91 1.19 0.11 1.20 1.08 -0.93 -2.27 117.51 116.99 2qkl h ILE 117 Ca -0.06 -0.70 0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2qkl h ILE 117 Cb 0.57 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 2qkl h ILE 117 CO 0.10 0.25 -0.23 0.15 -0.69 0.00 0.00 178.15 177.73 2qkl h PHE 118 N 0.61 -0.61 -0.39 1.37 3.57 -1.37 -0.26 116.94 119.86 2qkl h PHE 118 Ca 0.14 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.73 2qkl h PHE 118 Cb 0.25 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 2qkl h PHE 118 CO 0.01 -0.33 -0.15 -0.91 -2.23 0.00 0.00 178.31 174.71 2qkl h ASN 119 N -0.42 -0.52 -0.57 0.41 4.21 -1.02 -2.26 115.58 115.41 2qkl h ASN 119 Ca 0.03 0.14 0.03 0.00 1.21 0.00 0.00 56.30 57.71 2qkl h ASN 119 Cb 0.45 0.30 -0.04 0.00 -1.12 0.00 0.00 38.32 37.91 2qkl h ASN 119 CO -0.13 -0.18 0.34 0.40 -1.29 0.00 0.00 177.43 176.56 2qkl h ILE 120 N -0.07 1.05 0.06 2.81 1.08 -1.09 -0.21 117.51 121.14 2qkl h ILE 120 Ca 0.19 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2qkl h ILE 120 Cb 0.36 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 2qkl h ILE 120 CO -0.44 0.12 -0.03 0.58 -0.69 0.00 0.00 178.15 177.69 2qkl h VAL 121 N 0.67 0.96 -0.61 1.67 2.07 -0.88 0.20 116.25 120.34 2qkl h VAL 121 Ca 0.23 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.71 2qkl h VAL 121 Cb 0.05 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2qkl h VAL 121 CO -0.11 0.01 0.40 0.11 0.02 0.00 0.00 177.57 178.00 2qkl h LYS 122 N -0.10 0.79 0.00 1.57 1.79 -1.15 -2.67 116.57 116.80 2qkl h LYS 122 Ca -0.01 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 2qkl h LYS 122 Cb 0.08 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2qkl h LYS 122 CO 0.01 0.52 -0.37 0.93 -1.08 0.00 0.00 179.45 179.47 2qkl h GLU 123 N 0.81 0.00 0.00 3.15 5.08 -0.89 -2.65 114.58 120.08 2qkl h GLU 123 Ca 0.22 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2qkl h GLU 123 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2qkl h GLU 123 CO -0.05 0.37 -0.34 0.77 -1.00 0.00 0.00 179.01 178.76 2qkl h SER 124 N 0.00 0.00 -0.30 1.42 0.02 -0.63 -3.19 113.55 110.86 2qkl h SER 124 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qkl h SER 124 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2qkl h SER 124 CO 0.05 0.34 0.00 0.18 -1.14 0.00 0.00 176.83 176.25 2qkl n LEU 125 N -3.97 3.90 -4.70 5.07 4.77 -1.04 -4.99 117.00 116.05 2qkl n LEU 125 Ca -0.02 -2.87 -0.40 0.00 -0.03 0.00 0.00 56.01 52.69 2qkl n LEU 125 Cb 0.39 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 2qkl n LEU 125 CO 0.37 0.68 0.45 -0.22 -1.33 0.00 0.00 177.39 177.35 2qkl s LEU 126 N -2.56 4.25 0.00 2.23 2.96 -1.03 -4.80 118.68 119.73 2qkl s LEU 126 Ca 0.41 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 2qkl s LEU 126 Cb 0.32 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.91 2qkl s LEU 126 CO 0.11 -0.22 0.32 0.54 -1.32 0.00 0.00 176.35 175.78