#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkm h GLU 2 N 0.00 0.00 -0.98 2.12 3.07 -2.07 -2.72 114.58 114.01 2qkm h GLU 2 Ca 0.00 -0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.03 2qkm h GLU 2 Cb 0.00 -0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 27.82 2qkm h GLU 2 CO 0.00 0.26 0.61 -0.44 -1.40 0.00 0.00 179.01 178.04 2qkm h ASP 3 N 0.00 0.75 -0.10 1.42 3.45 -2.06 -2.57 116.42 117.32 2qkm h ASP 3 Ca -0.00 0.07 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 2qkm h ASP 3 Cb 0.45 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.15 2qkm h ASP 3 CO 0.03 0.32 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.54 2qkm h GLU 4 N 0.76 0.28 -0.63 3.56 5.08 -1.93 -3.21 114.58 118.49 2qkm h GLU 4 Ca 0.53 -0.17 0.09 0.00 -1.00 0.00 0.00 59.36 58.81 2qkm h GLU 4 Cb 0.82 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.02 2qkm h GLU 4 CO -0.30 0.74 0.28 -0.91 -1.00 0.00 0.00 179.01 177.82 2qkm h ASN 5 N -0.16 0.34 -0.35 1.42 2.35 -1.53 0.68 115.58 118.33 2qkm h ASN 5 Ca 0.01 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 2qkm h ASN 5 Cb 0.72 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.06 2qkm h ASN 5 CO 0.04 0.20 0.11 0.40 -1.65 0.00 0.00 177.43 176.52 2qkm h ILE 6 N 0.50 0.88 -0.43 2.81 1.08 -1.58 -0.20 117.51 120.56 2qkm h ILE 6 Ca 0.31 -0.08 -0.04 0.00 -0.39 0.00 0.00 64.86 64.66 2qkm h ILE 6 Cb 0.34 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2qkm h ILE 6 CO -0.27 0.05 0.13 -0.07 -0.69 0.00 0.00 178.15 177.29 2qkm h LEU 7 N 0.25 0.64 -0.17 1.44 3.38 -1.33 -1.35 115.31 118.16 2qkm h LEU 7 Ca 0.16 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qkm h LEU 7 Cb 0.15 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2qkm h LEU 7 CO -0.18 0.68 0.07 -0.09 0.09 0.00 0.00 178.44 179.01 2qkm h ARG 8 N 0.56 0.16 -0.97 1.13 2.43 -0.52 0.11 114.38 117.27 2qkm h ARG 8 Ca 0.14 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2qkm h ARG 8 Cb 0.28 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 2qkm h ARG 8 CO -0.00 0.10 0.64 -0.91 -1.51 0.00 0.00 179.97 178.29 2qkm h ASN 9 N 0.16 1.09 -0.36 -3.80 2.35 -0.94 0.33 115.58 114.41 2qkm h ASN 9 Ca 0.07 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2qkm h ASN 9 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 2qkm h ASN 9 CO -0.06 0.77 0.08 0.00 -1.65 0.00 0.00 177.43 176.57 2qkm h ALA 10 N 1.37 0.48 0.28 -0.83 0.00 -0.79 0.97 119.26 120.74 2qkm h ALA 10 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2qkm h ALA 10 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2qkm h ALA 10 CO -0.10 0.16 -0.13 0.28 0.00 0.00 0.00 179.25 179.47 2qkm h VAL 11 N 0.44 0.76 -0.53 0.00 2.07 -0.54 -1.48 116.25 116.97 2qkm h VAL 11 Ca 0.11 -0.59 0.11 0.00 0.82 0.00 0.00 66.70 67.15 2qkm h VAL 11 Cb 0.32 1.07 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 2qkm h VAL 11 CO 0.00 0.12 -0.18 0.78 0.02 0.00 0.00 177.57 178.31 2qkm h ASN 12 N -0.69 -0.65 -0.46 0.57 2.35 -0.30 0.14 115.58 116.53 2qkm h ASN 12 Ca -0.04 0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.79 2qkm h ASN 12 Cb 0.48 0.39 -0.02 0.00 0.05 0.00 0.00 38.32 39.22 2qkm h ASN 12 CO 0.06 -0.22 -0.09 0.25 -1.65 0.00 0.00 177.43 175.78 2qkm h LEU 13 N -0.06 0.92 -1.55 1.61 5.85 -0.85 -0.45 115.31 120.78 2qkm h LEU 13 Ca 0.25 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2qkm h LEU 13 Cb 0.45 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2qkm h LEU 13 CO -0.58 1.03 -0.18 1.56 -0.34 0.00 0.00 178.44 179.94 2qkm h GLN 14 N 0.83 0.00 0.17 1.25 7.50 -0.13 -1.00 115.11 123.74 2qkm h GLN 14 Ca 0.14 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 59.04 2qkm h GLN 14 Cb 0.62 0.00 0.02 0.00 0.05 0.00 0.00 27.48 28.17 2qkm h GLN 14 CO 0.04 0.18 -1.10 0.28 -1.50 0.00 0.00 178.83 176.73 2qkm h VAL 15 N 0.00 1.37 -0.25 -0.54 2.07 -0.38 -3.21 116.25 115.32 2qkm h VAL 15 Ca -0.00 -2.56 -0.00 0.00 0.82 0.00 0.00 66.70 64.95 2qkm h VAL 15 Cb 0.53 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 2qkm h VAL 15 CO 0.02 0.74 0.14 -0.07 0.02 0.00 0.00 177.57 178.43 2qkm h LEU 16 N -0.22 0.30 -2.01 2.57 3.38 -0.84 -2.81 115.31 115.68 2qkm h LEU 16 Ca -0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2qkm h LEU 16 Cb 1.81 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 2qkm h LEU 16 CO 0.17 0.29 -0.10 0.11 0.09 0.00 0.00 178.44 179.01 2qkm h LYS 17 N 0.29 0.00 -0.61 1.13 1.57 -1.34 0.27 116.57 117.89 2qkm h LYS 17 Ca 0.09 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2qkm h LYS 17 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2qkm h LYS 17 CO -0.01 0.10 0.08 0.35 -0.57 0.00 0.00 179.45 179.39 2qkm h PHE 18 N 0.00 1.09 0.12 -1.35 3.57 -1.49 -1.91 116.94 116.97 2qkm h PHE 18 Ca -0.00 -0.16 -0.28 0.00 3.53 0.00 0.00 57.97 61.06 2qkm h PHE 18 Cb 0.22 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2qkm h PHE 18 CO 0.00 0.94 -1.31 0.45 -2.23 0.00 0.00 178.31 176.15 2qkm h HIS 19 N 0.92 0.47 -2.61 0.41 3.86 -1.34 -3.42 115.15 113.45 2qkm h HIS 19 Ca 0.18 -0.34 -0.58 0.00 -1.16 0.00 0.00 60.37 58.46 2qkm h HIS 19 Cb 0.45 -0.02 -0.39 0.00 1.06 0.00 0.00 27.41 28.51 2qkm h HIS 19 CO 0.03 1.30 -0.84 0.71 0.86 0.00 0.00 177.93 179.99 2qkm s TYR 20 N -2.65 0.83 0.57 2.45 1.51 0.02 -5.01 117.35 115.07 2qkm s TYR 20 Ca -0.05 -1.71 0.29 0.00 -1.01 0.00 0.00 57.07 54.58 2qkm s TYR 20 Cb 0.07 -0.99 1.47 0.00 -0.11 0.00 0.00 41.96 42.40 2qkm s TYR 20 CO 0.88 -0.83 1.92 -1.35 -1.11 0.00 0.00 175.55 175.06 2qkm h PRO 21 N 6.94 0.00 0.00 -1.71 0.11 -1.60 -2.37 132.00 133.36 2qkm h PRO 21 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2qkm h PRO 21 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2qkm h PRO 21 CO 0.29 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.01 2qkm h GLU 22 N 0.00 0.00 -6.78 1.05 5.08 -1.94 -3.45 114.58 108.54 2qkm h GLU 22 Ca 0.26 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.09 2qkm h GLU 22 Cb 1.24 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.56 2qkm h GLU 22 CO -0.00 0.00 0.82 0.42 -1.00 0.00 0.00 179.01 179.25 2qkm s ILE 23 N -3.43 2.36 -0.06 3.13 1.01 -0.89 -0.80 121.20 122.52 2qkm s ILE 23 Ca 0.04 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2qkm s ILE 23 Cb 0.07 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2qkm s ILE 23 CO 0.60 0.05 0.09 -1.84 0.00 0.00 0.00 174.94 173.84 2qkm n GLU 24 N 2.21 2.51 -3.64 2.79 -0.00 -0.17 -4.80 120.64 119.53 2qkm n GLU 24 Ca 0.07 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.16 57.07 2qkm n GLU 24 Cb 0.39 -0.90 -0.07 0.00 -0.00 0.00 0.00 31.44 30.86 2qkm n GLU 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2qkm s SER 25 N -1.92 -0.38 -0.26 -1.84 0.15 0.10 -5.01 113.70 104.54 2qkm s SER 25 Ca -0.00 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 2qkm s SER 25 Cb 0.02 0.43 0.03 0.00 -1.71 0.00 0.00 66.02 64.79 2qkm s SER 25 CO 0.13 -0.59 -0.05 -0.63 1.20 0.00 0.00 173.24 173.30 2qkm s ILE 26 N -1.79 2.91 -0.10 6.45 1.01 -1.26 -0.26 121.20 128.15 2qkm s ILE 26 Ca -0.09 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.25 2qkm s ILE 26 Cb -0.02 -2.51 -0.28 0.00 0.01 0.00 0.00 42.46 39.66 2qkm s ILE 26 CO 0.03 0.14 0.72 0.40 0.00 0.00 0.00 174.94 176.24 2qkm h ILE 27 N 6.19 1.42 -2.47 2.92 2.04 -0.57 -3.49 117.51 123.56 2qkm h ILE 27 Ca -0.30 -2.43 0.13 0.00 1.00 0.00 0.00 64.86 63.26 2qkm h ILE 27 Cb 1.10 3.05 -0.10 0.00 -0.74 0.00 0.00 36.82 40.13 2qkm h ILE 27 CO 0.57 0.65 0.43 -0.62 0.00 0.00 0.00 178.15 179.18 2qkm s ASP 28 N -6.79 -0.27 -0.02 1.72 -1.08 -1.14 -5.00 116.67 104.10 2qkm s ASP 28 Ca -0.18 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 2qkm s ASP 28 Cb 0.01 0.50 0.02 0.00 -1.46 0.00 0.00 42.92 41.99 2qkm s ASP 28 CO 0.76 -0.89 -0.00 -0.63 0.52 0.00 0.00 175.17 174.93 2qkm s ILE 29 N -3.37 0.12 -0.26 4.11 1.01 -1.26 0.01 121.20 121.56 2qkm s ILE 29 Ca 0.09 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 60.74 2qkm s ILE 29 Cb -0.02 -0.18 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 2qkm s ILE 29 CO -0.01 0.10 0.03 0.00 0.00 0.00 0.00 174.94 175.05 2qkm s ALA 30 N 0.64 2.98 0.19 9.38 0.00 0.45 -5.00 121.76 130.41 2qkm s ALA 30 Ca -0.06 -1.30 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 2qkm s ALA 30 Cb -0.09 -1.97 0.09 0.00 0.00 0.00 0.00 23.12 21.16 2qkm s ALA 30 CO -0.01 -0.68 1.56 0.77 0.00 0.00 0.00 175.76 177.40 2qkm h SER 31 N 8.18 -1.62 -2.84 0.00 0.02 -1.91 -1.52 113.55 113.86 2qkm h SER 31 Ca -0.36 0.29 -0.25 0.00 -0.84 0.00 0.00 61.79 60.63 2qkm h SER 31 Cb 1.15 0.77 -0.34 0.00 0.14 0.00 0.00 62.40 64.12 2qkm h SER 31 CO 0.60 -0.29 -0.57 -2.28 -1.14 0.00 0.00 176.83 173.14 2qkm s HIS 32 N -5.81 -0.35 -0.03 3.45 2.46 -1.26 -3.95 115.29 109.80 2qkm s HIS 32 Ca -0.14 0.78 0.04 0.00 0.47 0.00 0.00 55.06 56.21 2qkm s HIS 32 Cb 0.16 -0.13 -0.00 0.00 -0.13 0.00 0.00 32.58 32.47 2qkm s HIS 32 CO 0.67 -0.38 -0.15 0.08 -2.47 0.00 0.00 174.74 172.49 2qkm s VAL 33 N 2.38 1.27 0.05 0.89 1.01 0.13 -0.54 120.40 125.59 2qkm s VAL 33 Ca 0.03 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2qkm s VAL 33 Cb -0.13 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2qkm s VAL 33 CO -0.09 0.37 0.13 0.00 0.00 0.00 0.00 175.10 175.51 2qkm s ALA 34 N -0.00 3.73 -0.14 5.51 0.00 0.32 -1.53 121.76 129.64 2qkm s ALA 34 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2qkm s ALA 34 Cb -0.10 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 2qkm s ALA 34 CO 0.01 0.76 -0.07 0.08 0.00 0.00 0.00 175.76 176.55 2qkm s VAL 35 N -1.39 3.59 0.37 0.00 1.01 -0.77 -1.51 120.40 121.70 2qkm s VAL 35 Ca 0.30 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2qkm s VAL 35 Cb -0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 2qkm s VAL 35 CO 0.22 0.51 0.10 -0.31 0.00 0.00 0.00 175.10 175.62 2qkm s TYR 36 N 0.33 2.60 -0.16 5.22 1.51 0.21 -1.35 117.35 125.70 2qkm s TYR 36 Ca -0.06 -0.50 -0.09 0.00 -1.01 0.00 0.00 57.07 55.41 2qkm s TYR 36 Cb -0.15 -1.72 0.06 0.00 -0.11 0.00 0.00 41.96 40.05 2qkm s TYR 36 CO 0.04 0.34 0.39 -1.14 -1.11 0.00 0.00 175.55 174.07 2qkm s GLN 37 N -3.81 0.37 -0.09 -0.62 0.74 0.11 -0.57 119.66 115.78 2qkm s GLN 37 Ca 0.38 0.77 -0.30 0.00 0.05 0.00 0.00 55.36 56.26 2qkm s GLN 37 Cb 0.02 -0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.07 2qkm s GLN 37 CO 0.21 -0.16 1.33 0.12 -0.55 0.00 0.00 175.29 176.24 2qkm s PHE 38 N 1.44 2.79 -0.32 1.67 5.36 -0.84 -0.37 117.98 127.72 2qkm s PHE 38 Ca -0.09 0.90 -0.29 0.00 -0.96 0.00 0.00 56.93 56.48 2qkm s PHE 38 Cb -0.09 -3.58 0.02 0.00 -0.34 0.00 0.00 43.02 39.03 2qkm s PHE 38 CO -0.12 -2.08 1.10 0.34 -1.46 0.00 0.00 175.22 173.00 2qkm s ASP 39 N 2.05 6.91 0.22 6.13 2.15 -0.17 -4.67 116.67 129.29 2qkm s ASP 39 Ca 0.59 1.08 -0.08 0.00 0.43 0.00 0.00 52.55 54.57 2qkm s ASP 39 Cb -0.26 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 40.18 2qkm s ASP 39 CO 0.21 -0.90 1.70 -0.37 -0.17 0.00 0.00 175.17 175.63 2qkm h VAL 40 N 5.75 0.59 -2.77 1.11 -1.51 -1.93 -3.38 116.25 114.12 2qkm h VAL 40 Ca -0.21 -0.09 -0.56 0.00 -1.23 0.00 0.00 66.70 64.61 2qkm h VAL 40 Cb 1.06 0.30 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 2qkm h VAL 40 CO 1.03 0.05 1.03 -0.83 -1.23 0.00 0.00 177.57 177.63 2qkm s GLY 41 N -3.37 1.48 0.25 5.19 0.00 -1.26 -4.76 107.32 104.86 2qkm s GLY 41 Ca -0.13 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.22 2qkm s GLY 41 CO 0.75 2.84 0.00 -1.14 0.00 0.00 0.00 173.10 175.54 2qkm n SER 42 N 7.31 -7.83 -3.99 1.64 3.41 -1.26 -4.68 113.62 108.22 2qkm n SER 42 Ca 0.16 1.16 -0.32 0.00 -0.26 0.00 0.00 58.87 59.62 2qkm n SER 42 Cb 0.44 -3.26 -0.10 0.00 -0.26 0.00 0.00 64.21 61.03 2qkm n SER 42 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2qkm s GLN 43 N -1.66 2.65 -0.16 4.33 -1.52 -1.26 -4.71 119.66 117.32 2qkm s GLN 43 Ca 0.00 -3.14 -0.11 0.00 -1.95 0.00 0.00 55.36 50.17 2qkm s GLN 43 Cb 0.00 -3.60 0.05 0.00 -0.22 0.00 0.00 33.01 29.24 2qkm s GLN 43 CO 0.00 -1.24 0.40 -1.59 -0.25 0.00 0.00 175.29 172.61 2qkm s LYS 44 N -1.11 0.41 0.21 2.91 -2.85 -1.26 -5.04 119.74 113.00 2qkm s LYS 44 Ca 0.24 0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 55.60 2qkm s LYS 44 Cb -0.10 0.06 -0.08 0.00 -2.06 0.00 0.00 37.83 35.65 2qkm s LYS 44 CO -0.11 -0.12 1.11 -1.58 0.10 0.00 0.00 175.35 174.75 2qkm s TRP 45 N 0.96 3.57 -0.04 1.78 0.52 -1.26 -0.99 118.94 123.47 2qkm s TRP 45 Ca -0.06 1.60 0.04 0.00 0.02 0.00 0.00 56.10 57.70 2qkm s TRP 45 Cb -0.06 -3.30 0.00 0.00 -1.15 0.00 0.00 33.47 28.96 2qkm s TRP 45 CO -0.08 -0.66 -0.14 -0.51 0.02 0.00 0.00 176.95 175.58 2qkm s LEU 46 N -0.63 1.84 0.29 2.99 1.43 0.50 -4.92 118.68 120.18 2qkm s LEU 46 Ca 0.48 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.99 2qkm s LEU 46 Cb -0.30 -0.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.97 2qkm s LEU 46 CO 0.37 0.11 1.10 -0.75 0.23 0.00 0.00 176.35 177.41 2qkm s LYS 47 N 0.18 4.62 0.00 1.70 2.20 -1.26 0.07 119.74 127.25 2qkm s LYS 47 Ca -0.06 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.36 2qkm s LYS 47 Cb -0.12 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2qkm s LYS 47 CO 0.02 0.19 0.00 0.25 -0.36 0.00 0.00 175.35 175.45 2qkm n THR 48 N 1.13 0.00 0.38 3.43 -2.24 -0.45 -4.91 114.28 111.62 2qkm n THR 48 Ca -0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 2qkm n THR 48 Cb 0.45 -1.27 0.01 0.00 -2.10 0.00 0.00 70.33 67.41 2qkm n THR 48 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2qkm n SER 49 N -0.29 1.22 -4.65 3.42 7.64 -1.26 -4.92 113.62 114.78 2qkm n SER 49 Ca 0.00 -1.11 -0.43 0.00 1.01 0.00 0.00 58.87 58.34 2qkm n SER 49 Cb 0.00 0.39 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 2qkm n SER 49 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qkm s ILE 50 N -1.15 4.69 -0.25 0.44 1.01 -1.26 -4.48 121.20 120.20 2qkm s ILE 50 Ca 0.08 1.89 -0.14 0.00 0.00 0.00 0.00 60.65 62.48 2qkm s ILE 50 Cb 0.07 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 38.33 2qkm s ILE 50 CO 0.20 -0.20 0.61 -0.70 0.00 0.00 0.00 174.94 174.85 2qkm s GLU 51 N 3.19 0.62 0.00 2.79 2.12 -1.26 -1.84 118.70 124.32 2qkm s GLU 51 Ca 0.42 1.12 0.00 0.00 0.36 0.00 0.00 54.97 56.87 2qkm s GLU 51 Cb -0.15 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.36 2qkm s GLU 51 CO 0.07 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2qkm n GLY 52 N 4.35 -0.51 3.75 -1.50 0.00 -0.58 -0.82 105.19 109.89 2qkm n GLY 52 Ca -0.21 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 2qkm n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qkm s THR 53 N -3.65 4.90 -0.18 2.61 2.01 -1.25 0.18 115.64 120.26 2qkm s THR 53 Ca 0.00 1.34 -0.06 0.00 0.31 0.00 0.00 61.69 63.27 2qkm s THR 53 Cb 0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2qkm s THR 53 CO 0.00 0.38 0.03 0.12 -0.69 0.00 0.00 174.62 174.47 2qkm s PHE 54 N -0.01 3.16 -0.19 4.92 5.36 -0.57 -1.83 117.98 128.82 2qkm s PHE 54 Ca 0.33 -0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 2qkm s PHE 54 Cb -0.18 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2qkm s PHE 54 CO 0.18 0.03 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.75 2qkm s PHE 55 N 0.52 2.66 -0.53 10.12 0.40 0.69 -0.41 117.98 131.43 2qkm s PHE 55 Ca 0.01 -1.63 -0.26 0.00 -0.60 0.00 0.00 56.93 54.45 2qkm s PHE 55 Cb -0.13 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2qkm s PHE 55 CO 0.02 -0.78 1.03 -1.17 0.70 0.00 0.00 175.22 175.01 2qkm s LEU 56 N 1.32 3.86 0.05 -0.37 2.96 0.10 -0.52 118.68 126.08 2qkm s LEU 56 Ca 0.02 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 2qkm s LEU 56 Cb -0.14 -3.06 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 2qkm s LEU 56 CO -0.11 -1.26 -0.19 0.68 -1.32 0.00 0.00 176.35 174.15 2qkm s VAL 57 N 4.23 2.76 -0.11 1.68 -7.23 0.15 0.24 120.40 122.12 2qkm s VAL 57 Ca 0.37 -1.23 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2qkm s VAL 57 Cb -0.10 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 2qkm s VAL 57 CO 0.24 0.31 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.57 2qkm s LYS 58 N -1.50 3.20 0.17 4.82 2.20 0.64 -1.53 119.74 127.74 2qkm s LYS 58 Ca 0.15 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 2qkm s LYS 58 Cb -0.10 -2.80 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 2qkm s LYS 58 CO 0.06 0.52 0.12 -0.40 -0.36 0.00 0.00 175.35 175.29 2qkm n ASP 59 N 2.68 1.60 -4.75 1.43 5.75 -1.14 -0.72 116.55 121.39 2qkm n ASP 59 Ca -0.18 -1.60 -0.41 0.00 -0.01 0.00 0.00 54.79 52.59 2qkm n ASP 59 Cb 0.53 -0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 2qkm n ASP 59 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2qkm s GLN 60 N -2.70 4.24 0.00 0.11 -1.52 0.02 -2.02 119.66 117.79 2qkm s GLN 60 Ca 0.09 2.35 0.00 0.00 -1.95 0.00 0.00 55.36 55.86 2qkm s GLN 60 Cb -0.01 -3.08 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 2qkm s GLN 60 CO 0.06 -0.43 0.00 0.54 -0.25 0.00 0.00 175.29 175.21 2qkm n ARG 61 N 1.89 0.00 -4.10 2.91 1.74 -1.26 -4.42 116.66 113.42 2qkm n ARG 61 Ca 0.05 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 2qkm n ARG 61 Cb 0.40 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.46 2qkm n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qkm n ALA 62 N -0.45 -1.85 -2.71 7.54 0.00 -0.86 -4.95 120.51 117.24 2qkm n ALA 62 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.81 2qkm n ALA 62 Cb 0.00 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 17.66 2qkm n ALA 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2qkm s ARG 63 N -6.83 4.25 0.36 0.00 0.52 -1.26 -4.89 118.95 111.10 2qkm s ARG 63 Ca 0.16 0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 55.35 2qkm s ARG 63 Cb -0.09 -3.46 -0.10 0.00 0.52 0.00 0.00 34.95 31.82 2qkm s ARG 63 CO 0.93 0.13 0.91 0.08 0.02 0.00 0.00 175.30 177.37 2qkm s VAL 64 N 0.77 4.36 0.00 3.52 1.01 -1.26 -2.89 120.40 125.91 2qkm s VAL 64 Ca 0.19 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2qkm s VAL 64 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.45 2qkm s VAL 64 CO 0.06 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2qkm n GLY 65 N -0.02 0.70 3.43 4.51 0.00 -0.58 -1.77 105.19 111.45 2qkm n GLY 65 Ca 0.04 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.08 2qkm n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qkm s TYR 66 N -3.23 -0.52 -0.08 1.61 -0.85 -0.57 0.31 117.35 114.02 2qkm s TYR 66 Ca 0.00 1.01 0.05 0.00 -0.52 0.00 0.00 57.07 57.61 2qkm s TYR 66 Cb 0.00 0.27 -0.00 0.00 0.38 0.00 0.00 41.96 42.61 2qkm s TYR 66 CO 0.00 -0.46 -0.24 0.08 -1.52 0.00 0.00 175.55 173.41 2qkm s VAL 67 N -0.80 2.01 -0.25 -3.49 1.01 0.32 -2.04 120.40 117.17 2qkm s VAL 67 Ca -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 2qkm s VAL 67 Cb -0.03 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2qkm s VAL 67 CO 0.06 0.55 -0.06 -0.63 0.00 0.00 0.00 175.10 175.02 2qkm s ILE 68 N 0.18 2.95 -0.90 2.22 1.01 0.02 -0.22 121.20 126.46 2qkm s ILE 68 Ca -0.14 -0.96 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 2qkm s ILE 68 Cb -0.16 -2.48 0.06 0.00 0.01 0.00 0.00 42.46 39.89 2qkm s ILE 68 CO 0.07 0.22 1.30 -0.76 0.00 0.00 0.00 174.94 175.77 2qkm s LEU 69 N 1.34 3.80 0.07 2.97 1.43 -0.76 -2.24 118.68 125.29 2qkm s LEU 69 Ca 0.01 -1.28 -0.34 0.00 -1.03 0.00 0.00 54.13 51.49 2qkm s LEU 69 Cb -0.16 -2.52 -0.13 0.00 0.03 0.00 0.00 46.19 43.41 2qkm s LEU 69 CO -0.04 -1.50 1.70 -3.20 0.23 0.00 0.00 176.35 173.54 2qkm n ASN 70 N 8.45 3.27 0.21 2.29 2.85 -1.26 -3.82 115.26 127.24 2qkm n ASN 70 Ca 0.20 1.04 0.10 0.00 -0.11 0.00 0.00 54.58 55.82 2qkm n ASN 70 Cb 0.50 -1.41 0.19 0.00 1.24 0.00 0.00 39.78 40.29 2qkm n ASN 70 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2qkm h ARG 71 N 7.24 0.00 0.00 1.20 3.08 -1.31 -3.38 114.38 121.21 2qkm h ARG 71 Ca -0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 2qkm h ARG 71 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 2qkm h ARG 71 CO 0.91 0.11 -1.38 0.09 -1.07 0.00 0.00 179.97 178.63 2qkm n ASN 72 N -3.13 0.58 -3.58 7.04 3.02 -1.26 -4.99 115.26 112.93 2qkm n ASN 72 Ca 0.03 0.23 -0.08 0.00 -0.03 0.00 0.00 54.58 54.73 2qkm n ASN 72 Cb 0.55 0.87 -0.02 0.00 -0.61 0.00 0.00 39.78 40.58 2qkm n ASN 72 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2qkm s SER 73 N -5.18 -0.38 0.56 6.41 1.04 -1.26 -5.03 113.70 109.86 2qkm s SER 73 Ca -0.03 -0.18 0.38 0.00 0.48 0.00 0.00 55.95 56.59 2qkm s SER 73 Cb 0.11 0.54 1.97 0.00 0.10 0.00 0.00 66.02 68.74 2qkm s SER 73 CO 0.83 -0.92 2.15 -0.65 0.98 0.00 0.00 173.24 175.63 2qkm h PRO 74 N 2.00 0.00 -5.40 4.02 0.11 -1.94 -3.40 132.00 127.38 2qkm h PRO 74 Ca -0.26 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.71 2qkm h PRO 74 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2qkm h PRO 74 CO 0.31 0.00 0.39 -2.00 -0.21 0.00 0.00 178.00 176.48 2qkm s GLU 75 N -3.92 1.88 0.97 1.05 2.12 -1.26 -4.91 118.70 114.62 2qkm s GLU 75 Ca -0.03 -0.22 -0.16 0.00 0.36 0.00 0.00 54.97 54.92 2qkm s GLU 75 Cb 0.11 -4.98 0.24 0.00 0.26 0.00 0.00 34.13 29.76 2qkm s GLU 75 CO 0.38 -4.38 0.86 0.09 -0.54 0.00 0.00 175.26 171.67 2qkm n ASN 76 N 17.06 -1.91 -3.89 -1.70 5.03 -1.26 -4.67 115.26 123.92 2qkm n ASN 76 Ca 0.43 -1.02 -0.20 0.00 0.87 0.00 0.00 54.58 54.66 2qkm n ASN 76 Cb 0.46 -0.79 -0.16 0.00 -1.02 0.00 0.00 39.78 38.26 2qkm n ASN 76 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2qkm s LEU 77 N 0.00 1.30 -0.31 3.41 2.96 -0.95 -4.96 118.68 120.13 2qkm s LEU 77 Ca 0.56 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.31 2qkm s LEU 77 Cb -0.06 -0.46 0.11 0.00 0.50 0.00 0.00 46.19 46.29 2qkm s LEU 77 CO 0.43 -0.06 0.15 -0.47 -1.32 0.00 0.00 176.35 175.08 2qkm s TYR 78 N 0.97 0.58 0.03 5.38 5.04 -1.26 -0.80 117.35 127.30 2qkm s TYR 78 Ca -0.10 -1.19 0.03 0.00 -2.44 0.00 0.00 57.07 53.38 2qkm s TYR 78 Cb -0.14 -1.00 -0.04 0.00 0.35 0.00 0.00 41.96 41.13 2qkm s TYR 78 CO -0.00 -0.83 -0.04 -0.51 -1.34 0.00 0.00 175.55 172.83 2qkm s LEU 79 N 1.75 3.32 0.23 6.97 1.43 -0.87 -4.95 118.68 126.56 2qkm s LEU 79 Ca 0.12 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 2qkm s LEU 79 Cb -0.18 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 2qkm s LEU 79 CO -0.25 0.25 0.54 -0.36 0.23 0.00 0.00 176.35 176.75 2qkm s PHE 80 N -1.11 3.43 -0.62 0.29 0.08 -1.26 -1.51 117.98 117.28 2qkm s PHE 80 Ca 0.20 0.83 -0.02 0.00 0.12 0.00 0.00 56.93 58.05 2qkm s PHE 80 Cb -0.11 -2.22 0.16 0.00 -0.57 0.00 0.00 43.02 40.27 2qkm s PHE 80 CO 0.11 0.27 0.42 0.42 -0.10 0.00 0.00 175.22 176.35 2qkm s ILE 81 N -1.83 3.62 0.40 0.64 1.01 -0.73 -4.93 121.20 119.38 2qkm s ILE 81 Ca 0.47 -2.98 0.12 0.00 0.00 0.00 0.00 60.65 58.25 2qkm s ILE 81 Cb -0.11 -3.37 0.14 0.00 0.01 0.00 0.00 42.46 39.12 2qkm s ILE 81 CO 0.22 -0.87 1.90 0.78 0.00 0.00 0.00 174.94 176.97 2qkm h ASN 82 N 7.00 0.09 -3.59 3.58 -0.26 -1.91 -3.42 115.58 117.06 2qkm h ASN 82 Ca -0.02 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.61 2qkm h ASN 82 Cb 0.95 -0.02 -0.24 0.00 -1.06 0.00 0.00 38.32 37.95 2qkm h ASN 82 CO 0.71 0.33 -0.16 -2.28 -1.06 0.00 0.00 177.43 174.97 2qkm s HIS 83 N -4.50 -0.64 0.42 1.19 2.46 -1.26 -5.03 115.29 107.93 2qkm s HIS 83 Ca -0.04 1.44 0.24 0.00 0.47 0.00 0.00 55.06 57.17 2qkm s HIS 83 Cb 0.15 0.27 1.26 0.00 -0.13 0.00 0.00 32.58 34.13 2qkm s HIS 83 CO 0.72 -0.32 1.70 -1.35 -2.47 0.00 0.00 174.74 173.02 2qkm h PRO 84 N 6.09 0.24 -0.34 2.88 0.11 -1.84 0.27 132.00 139.41 2qkm h PRO 84 Ca -0.31 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.89 2qkm h PRO 84 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2qkm h PRO 84 CO 0.22 0.16 0.51 1.03 -0.21 0.00 0.00 178.00 179.71 2qkm h SER 85 N 0.24 0.00 1.30 -2.05 0.87 -1.96 -2.38 113.55 109.57 2qkm h SER 85 Ca 0.70 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 61.17 2qkm h SER 85 Cb 2.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 2qkm h SER 85 CO -0.35 0.00 -0.43 0.78 -0.53 0.00 0.00 176.83 176.30 2qkm h ASN 86 N 0.00 0.00 -3.32 6.23 2.35 -0.78 -3.46 115.58 116.61 2qkm h ASN 86 Ca 0.16 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.35 2qkm h ASN 86 Cb 1.19 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.52 2qkm h ASN 86 CO -0.00 0.43 -0.10 -0.69 -1.65 0.00 0.00 177.43 175.41 2qkm s VAL 87 N -3.19 4.89 0.04 2.81 1.01 -0.90 -2.22 120.40 122.85 2qkm s VAL 87 Ca 0.03 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2qkm s VAL 87 Cb 0.09 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2qkm s VAL 87 CO 0.72 0.20 -0.05 -1.00 0.00 0.00 0.00 175.10 174.97 2qkm s HIS 88 N -1.51 0.51 -0.27 5.22 3.76 0.44 -4.98 115.29 118.45 2qkm s HIS 88 Ca 0.39 -0.63 0.03 0.00 -0.15 0.00 0.00 55.06 54.69 2qkm s HIS 88 Cb -0.14 -0.33 0.07 0.00 1.11 0.00 0.00 32.58 33.29 2qkm s HIS 88 CO 0.19 -0.17 -0.06 -1.17 -0.85 0.00 0.00 174.74 172.68 2qkm s LEU 89 N -1.87 3.53 -0.03 0.89 0.20 -1.26 -0.40 118.68 119.74 2qkm s LEU 89 Ca -0.08 -1.53 0.01 0.00 0.69 0.00 0.00 54.13 53.22 2qkm s LEU 89 Cb -0.06 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 2qkm s LEU 89 CO -0.02 -0.25 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.05 2qkm s VAL 90 N 1.13 0.52 -0.35 1.68 1.01 -1.09 -4.95 120.40 118.35 2qkm s VAL 90 Ca -0.03 -0.17 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 2qkm s VAL 90 Cb -0.19 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.69 2qkm s VAL 90 CO -0.07 0.20 0.31 0.47 0.00 0.00 0.00 175.10 176.01 2qkm n ASP 91 N 3.65 -2.53 0.00 3.32 8.00 -1.26 -0.10 116.55 127.63 2qkm n ASP 91 Ca -0.22 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 54.93 2qkm n ASP 91 Cb 0.53 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2qkm n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qkm n ARG 92 N -1.07 -0.11 -3.64 -1.24 1.74 -1.26 -4.93 116.66 106.15 2qkm n ARG 92 Ca -0.12 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 2qkm n ARG 92 Cb 0.35 -4.20 -0.03 0.00 -1.02 0.00 0.00 32.46 27.56 2qkm n ARG 92 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2qkm s TYR 93 N -0.90 3.48 -0.38 -1.55 4.12 0.85 -4.51 117.35 118.45 2qkm s TYR 93 Ca 0.00 0.43 -0.03 0.00 0.02 0.00 0.00 57.07 57.50 2qkm s TYR 93 Cb 0.00 -1.92 0.10 0.00 -1.52 0.00 0.00 41.96 38.61 2qkm s TYR 93 CO 0.00 0.36 0.16 -1.17 0.02 0.00 0.00 175.55 174.92 2qkm s LEU 94 N -3.20 4.95 -0.08 -1.29 2.96 0.36 -2.66 118.68 119.73 2qkm s LEU 94 Ca 0.40 -1.85 -0.27 0.00 -0.22 0.00 0.00 54.13 52.20 2qkm s LEU 94 Cb -0.11 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2qkm s LEU 94 CO 0.28 -0.48 0.86 -0.63 -1.32 0.00 0.00 176.35 175.06 2qkm s ILE 95 N 1.17 4.92 -0.09 6.68 1.01 0.46 0.24 121.20 135.59 2qkm s ILE 95 Ca 0.05 1.76 -0.00 0.00 0.00 0.00 0.00 60.65 62.46 2qkm s ILE 95 Cb -0.22 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.09 2qkm s ILE 95 CO -0.03 0.13 -0.05 -2.28 0.00 0.00 0.00 174.94 172.71 2qkm s HIS 96 N 1.36 1.17 -0.26 3.97 5.65 0.65 0.16 115.29 128.00 2qkm s HIS 96 Ca 0.44 -0.50 -0.16 0.00 0.25 0.00 0.00 55.06 55.08 2qkm s HIS 96 Cb -0.19 -1.04 -0.03 0.00 -1.18 0.00 0.00 32.58 30.14 2qkm s HIS 96 CO 0.20 -0.41 0.42 1.03 -0.65 0.00 0.00 174.74 175.33 2qkm s ARG 97 N 1.61 4.05 0.02 2.88 0.52 -0.94 -1.01 118.95 126.08 2qkm s ARG 97 Ca 0.02 0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 2qkm s ARG 97 Cb -0.13 -3.64 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 2qkm s ARG 97 CO -0.05 -0.27 0.15 -0.08 0.02 0.00 0.00 175.30 175.07 2qkm s THR 98 N 2.05 5.15 0.15 0.02 -1.32 -0.49 -4.85 115.64 116.36 2qkm s THR 98 Ca 0.17 -0.34 -0.10 0.00 -1.21 0.00 0.00 61.69 60.21 2qkm s THR 98 Cb -0.16 -3.43 0.17 0.00 -1.51 0.00 0.00 72.50 67.58 2qkm s THR 98 CO 0.09 0.27 0.97 1.21 -2.21 0.00 0.00 174.62 174.95 2qkm n GLU 99 N 0.80 -0.13 -0.18 7.08 4.07 -1.26 -1.81 120.64 129.20 2qkm n GLU 99 Ca -0.10 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 57.97 2qkm n GLU 99 Cb 0.52 -1.43 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 2qkm n GLU 99 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 2qkm n ASN 100 N -4.94 2.47 -1.70 4.31 0.23 -1.26 -4.69 115.26 109.69 2qkm n ASN 100 Ca 0.07 -1.54 -0.19 0.00 -0.53 0.00 0.00 54.58 52.39 2qkm n ASN 100 Cb 0.26 -0.50 -0.07 0.00 -2.08 0.00 0.00 39.78 37.39 2qkm n ASN 100 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2qkm n GLN 101 N 1.40 -1.48 -3.73 -3.83 -0.06 -0.75 -4.99 117.38 103.94 2qkm n GLN 101 Ca 0.00 1.11 -0.37 0.00 -2.00 0.00 0.00 57.00 55.74 2qkm n GLN 101 Cb 0.27 -5.51 -0.06 0.00 -4.06 0.00 0.00 30.24 20.87 2qkm n GLN 101 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 2qkm s HIS 102 N -2.69 3.60 -0.28 3.69 3.76 -1.14 -4.97 115.29 117.26 2qkm s HIS 102 Ca 0.00 0.65 -0.09 0.00 -0.15 0.00 0.00 55.06 55.46 2qkm s HIS 102 Cb 0.00 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.56 2qkm s HIS 102 CO 0.00 0.62 0.13 0.08 -0.85 0.00 0.00 174.74 174.72 2qkm s VAL 103 N -0.75 4.72 -0.09 -0.90 1.01 -1.26 -1.40 120.40 121.72 2qkm s VAL 103 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.03 2qkm s VAL 103 Cb -0.13 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2qkm s VAL 103 CO 0.06 0.24 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 2qkm s VAL 104 N 1.66 3.40 -0.18 2.92 1.01 -0.18 -1.98 120.40 127.06 2qkm s VAL 104 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 2qkm s VAL 104 Cb -0.16 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2qkm s VAL 104 CO 0.07 0.56 -0.02 -0.83 0.00 0.00 0.00 175.10 174.88 2qkm s GLY 105 N -0.30 1.73 -0.22 4.51 0.00 0.26 -0.25 107.32 113.04 2qkm s GLY 105 Ca 0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.82 2qkm s GLY 105 CO 0.03 0.07 -0.04 1.08 0.00 0.00 0.00 173.10 174.24 2qkm s LEU 106 N 0.65 2.92 -0.37 0.66 1.43 0.14 0.64 118.68 124.75 2qkm s LEU 106 Ca -0.01 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2qkm s LEU 106 Cb -0.14 -1.73 0.08 0.00 0.03 0.00 0.00 46.19 44.43 2qkm s LEU 106 CO 0.02 -0.03 0.14 0.86 0.23 0.00 0.00 176.35 177.57 2qkm s TRP 107 N 1.47 3.43 0.11 0.29 -0.11 -0.57 0.13 118.94 123.69 2qkm s TRP 107 Ca 0.05 -2.06 -0.23 0.00 1.22 0.00 0.00 56.10 55.09 2qkm s TRP 107 Cb -0.14 -2.76 -0.07 0.00 -1.50 0.00 0.00 33.47 29.00 2qkm s TRP 107 CO -0.03 -0.88 0.69 -1.64 -4.62 0.00 0.00 176.95 170.47 2qkm s MET 108 N 1.23 4.42 0.37 5.86 -1.94 -1.26 -0.52 119.30 127.45 2qkm s MET 108 Ca 0.03 0.98 0.25 0.00 -1.71 0.00 0.00 55.69 55.23 2qkm s MET 108 Cb -0.22 -3.27 0.63 0.00 2.01 0.00 0.00 34.83 33.98 2qkm s MET 108 CO -0.02 0.54 1.71 0.74 -0.01 0.00 0.00 175.02 177.98 2qkm h PHE 109 N 4.66 0.00 -3.64 -0.03 -1.00 -1.22 -3.40 116.94 112.31 2qkm h PHE 109 Ca -0.47 0.00 -0.68 0.00 2.81 0.00 0.00 57.97 59.62 2qkm h PHE 109 Cb 1.21 0.00 -0.23 0.00 3.61 0.00 0.00 35.95 40.54 2qkm h PHE 109 CO 0.66 0.00 -0.53 0.34 -1.61 0.00 0.00 178.31 177.16 2qkm s ASP 110 N -5.51 5.67 0.34 2.17 -1.08 -1.26 -4.98 116.67 112.02 2qkm s ASP 110 Ca 0.07 -0.65 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 2qkm s ASP 110 Cb 0.08 -2.03 0.81 0.00 -1.46 0.00 0.00 42.92 40.32 2qkm s ASP 110 CO 0.62 -0.26 1.82 -0.65 0.52 0.00 0.00 175.17 177.22 2qkm h PRO 111 N 8.40 0.68 -0.80 4.34 0.11 -1.99 -0.69 132.00 142.05 2qkm h PRO 111 Ca -0.30 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.78 2qkm h PRO 111 Cb 1.14 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2qkm h PRO 111 CO 0.63 0.45 0.53 -0.91 -0.21 0.00 0.00 178.00 178.49 2qkm h ASN 112 N 0.70 0.90 -0.34 -2.05 2.35 -1.95 -2.43 115.58 112.77 2qkm h ASN 112 Ca 0.52 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.23 2qkm h ASN 112 Cb 0.87 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2qkm h ASN 112 CO -0.28 0.65 0.15 0.44 -1.65 0.00 0.00 177.43 176.74 2qkm h ASP 113 N 1.06 0.46 -0.41 5.81 3.32 -1.51 -2.14 116.42 123.01 2qkm h ASP 113 Ca 0.30 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.28 2qkm h ASP 113 Cb -0.09 -0.12 -0.09 0.00 0.22 0.00 0.00 39.33 39.25 2qkm h ASP 113 CO -0.07 0.48 -0.22 -0.03 -1.72 0.00 0.00 179.24 177.69 2qkm h MET 114 N 0.41 -0.14 -0.44 3.56 4.05 -1.33 -0.48 114.93 120.56 2qkm h MET 114 Ca 0.12 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.48 2qkm h MET 114 Cb 0.16 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2qkm h MET 114 CO -0.01 -0.09 0.04 0.77 0.23 0.00 0.00 176.91 177.85 2qkm h SER 115 N -0.14 0.73 -0.36 1.39 0.02 -1.37 -1.92 113.55 111.89 2qkm h SER 115 Ca 0.20 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2qkm h SER 115 Cb 0.45 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2qkm h SER 115 CO -0.50 0.83 0.10 -0.09 -1.14 0.00 0.00 176.83 176.03 2qkm h ARG 116 N 0.60 0.56 -0.01 3.45 2.43 -0.82 -1.44 114.38 119.16 2qkm h ARG 116 Ca 0.13 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2qkm h ARG 116 Cb 0.43 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2qkm h ARG 116 CO 0.01 0.59 -0.82 0.82 -1.51 0.00 0.00 179.97 179.07 2qkm h ILE 117 N 0.43 1.49 0.61 1.20 2.04 -1.14 -2.24 117.51 119.90 2qkm h ILE 117 Ca 0.11 -2.54 -0.03 0.00 1.00 0.00 0.00 64.86 63.40 2qkm h ILE 117 Cb 0.27 2.40 0.01 0.00 -0.74 0.00 0.00 36.82 38.76 2qkm h ILE 117 CO -0.00 0.74 -0.29 0.15 0.00 0.00 0.00 178.15 178.74 2qkm h PHE 118 N 0.10 -0.76 -0.52 1.37 3.57 -1.16 0.21 116.94 119.75 2qkm h PHE 118 Ca -0.03 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.55 2qkm h PHE 118 Cb 1.43 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.39 2qkm h PHE 118 CO 0.02 -0.43 0.35 -0.91 -2.23 0.00 0.00 178.31 175.11 2qkm h ASN 119 N -0.96 0.26 0.83 0.41 4.21 -1.27 0.24 115.58 119.29 2qkm h ASN 119 Ca -0.08 0.01 -0.24 0.00 1.21 0.00 0.00 56.30 57.19 2qkm h ASN 119 Cb 0.67 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 2qkm h ASN 119 CO 0.14 0.16 -1.17 -0.29 -1.29 0.00 0.00 177.43 174.98 2qkm h ILE 120 N 0.29 1.53 0.00 2.81 2.10 -1.30 -3.37 117.51 119.57 2qkm h ILE 120 Ca 0.24 -3.23 -0.10 0.00 1.08 0.00 0.00 64.86 62.85 2qkm h ILE 120 Cb 0.56 2.81 -0.02 0.00 -1.09 0.00 0.00 36.82 39.09 2qkm h ILE 120 CO -0.05 0.90 -0.61 0.58 -1.08 0.00 0.00 178.15 177.88 2qkm h VAL 121 N 0.02 1.12 0.00 2.19 2.07 -0.20 -3.35 116.25 118.10 2qkm h VAL 121 Ca -0.08 -2.07 -0.54 0.00 0.82 0.00 0.00 66.70 64.83 2qkm h VAL 121 Cb 1.86 2.35 0.03 0.00 -1.52 0.00 0.00 31.29 34.00 2qkm h VAL 121 CO 0.14 0.38 2.48 1.17 0.02 0.00 0.00 177.57 181.76 2qkm n LYS 122 N -4.54 1.82 0.00 1.57 3.00 0.78 -4.60 118.16 116.18 2qkm n LYS 122 Ca -0.19 -1.72 0.00 0.00 -0.00 0.00 0.00 58.31 56.40 2qkm n LYS 122 Cb 0.52 -2.74 0.00 0.00 0.00 0.00 0.00 35.03 32.81 2qkm n LYS 122 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49