#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkf s ASP 2 N 0.00 6.40 -0.10 6.12 1.01 -1.26 -3.85 116.67 124.98 2qkf s ASP 2 Ca 0.00 0.64 0.02 0.00 0.71 0.00 0.00 52.55 53.92 2qkf s ASP 2 Cb 0.00 -2.11 0.02 0.00 1.01 0.00 0.00 42.92 41.83 2qkf s ASP 2 CO 0.00 -0.22 -0.15 -0.63 0.21 0.00 0.00 175.17 174.39 2qkf s ILE 3 N -2.14 1.44 -0.11 0.77 1.01 0.31 -4.98 121.20 117.49 2qkf s ILE 3 Ca 0.43 -0.61 -0.24 0.00 0.00 0.00 0.00 60.65 60.23 2qkf s ILE 3 Cb -0.10 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2qkf s ILE 3 CO 0.32 0.43 0.74 -0.54 0.00 0.00 0.00 174.94 175.89 2qkf s LYS 4 N 1.00 4.37 -0.37 2.79 -0.14 -1.26 -0.49 119.74 125.64 2qkf s LYS 4 Ca -0.07 0.91 0.04 0.00 -1.36 0.00 0.00 55.97 55.49 2qkf s LYS 4 Cb -0.15 -3.50 0.11 0.00 -1.68 0.00 0.00 37.83 32.60 2qkf s LYS 4 CO -0.01 -0.10 0.09 0.42 -0.76 0.00 0.00 175.35 174.99 2qkf s ILE 5 N 1.36 2.25 0.00 2.17 1.01 0.20 -4.96 121.20 123.23 2qkf s ILE 5 Ca 0.37 -2.48 0.00 0.00 0.00 0.00 0.00 60.65 58.54 2qkf s ILE 5 Cb -0.17 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.65 2qkf s ILE 5 CO 0.16 -0.64 0.00 0.59 0.00 0.00 0.00 174.94 175.04 2qkf n ASN 6 N 4.06 0.00 -0.82 3.58 3.02 -1.26 -1.07 115.26 122.77 2qkf n ASN 6 Ca 0.04 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.71 2qkf n ASN 6 Cb 0.40 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.86 2qkf n ASN 6 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qkf n ASP 7 N 7.88 2.48 -4.72 6.41 8.00 -1.26 -4.90 116.55 130.44 2qkf n ASP 7 Ca 0.00 -1.83 -0.39 0.00 0.71 0.00 0.00 54.79 53.28 2qkf n ASP 7 Cb 0.00 -0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 2qkf n ASP 7 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qkf s ILE 8 N -1.77 5.04 -0.37 0.53 1.01 -0.23 -5.04 121.20 120.36 2qkf s ILE 8 Ca 0.34 1.34 -0.16 0.00 0.00 0.00 0.00 60.65 62.17 2qkf s ILE 8 Cb 0.20 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 2qkf s ILE 8 CO 0.30 0.29 0.39 -0.89 0.00 0.00 0.00 174.94 175.03 2qkf s THR 9 N 0.60 5.13 -0.26 2.92 2.01 -1.26 -0.63 115.64 124.16 2qkf s THR 9 Ca 0.35 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.17 2qkf s THR 9 Cb -0.17 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2qkf s THR 9 CO 0.17 -0.21 0.16 -0.22 -0.69 0.00 0.00 174.62 173.83 2qkf s LEU 10 N 2.07 3.95 -0.13 4.42 2.96 0.36 -4.80 118.68 127.52 2qkf s LEU 10 Ca 0.12 -0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.71 2qkf s LEU 10 Cb -0.17 -2.08 0.13 0.00 0.50 0.00 0.00 46.19 44.57 2qkf s LEU 10 CO 0.12 -0.01 1.06 -0.83 -1.32 0.00 0.00 176.35 175.37 2qkf s GLY 11 N 1.54 -0.31 0.03 7.98 0.00 -1.26 -0.53 107.32 114.76 2qkf s GLY 11 Ca 0.07 1.61 0.22 0.00 0.00 0.00 0.00 44.72 46.62 2qkf s GLY 11 CO 0.08 0.64 1.69 0.70 0.00 0.00 0.00 173.10 176.22 2qkf n ASN 12 N 0.12 0.10 -0.60 1.64 3.02 -1.26 -2.02 115.26 116.26 2qkf n ASN 12 Ca -0.05 0.52 0.06 0.00 -0.03 0.00 0.00 54.58 55.07 2qkf n ASN 12 Cb 0.59 -0.54 0.20 0.00 -0.61 0.00 0.00 39.78 39.42 2qkf n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qkf n ASN 13 N -1.60 1.83 -4.56 6.41 5.15 -1.26 -4.22 115.26 117.01 2qkf n ASN 13 Ca 0.05 -3.82 -0.24 0.00 -0.60 0.00 0.00 54.58 49.97 2qkf n ASN 13 Cb 0.26 -0.53 -0.09 0.00 -0.53 0.00 0.00 39.78 38.89 2qkf n ASN 13 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2qkf s SER 14 N -3.15 3.98 0.29 1.20 0.01 -0.86 -5.06 113.70 110.11 2qkf s SER 14 Ca 0.38 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.41 2qkf s SER 14 Cb 0.36 -0.50 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 2qkf s SER 14 CO -0.06 -0.06 1.21 -2.65 0.41 0.00 0.00 173.24 172.09 2qkf n PRO 15 N -0.78 1.77 -1.82 12.44 -0.02 -1.26 -4.81 135.00 140.51 2qkf n PRO 15 Ca -0.05 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.65 2qkf n PRO 15 Cb 0.61 -2.14 0.01 0.00 -0.02 0.00 0.00 33.50 31.95 2qkf n PRO 15 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2qkf s PHE 16 N -0.81 2.54 -0.21 6.00 -0.12 -1.26 -4.83 117.98 119.29 2qkf s PHE 16 Ca 0.60 1.23 -0.11 0.00 -0.05 0.00 0.00 56.93 58.60 2qkf s PHE 16 Cb -0.65 -3.95 -0.05 0.00 -0.63 0.00 0.00 43.02 37.74 2qkf s PHE 16 CO 0.58 -2.91 0.19 0.08 -0.05 0.00 0.00 175.22 173.11 2qkf s VAL 17 N -1.17 5.36 -0.33 -2.49 1.01 -0.59 -4.24 120.40 117.95 2qkf s VAL 17 Ca 0.57 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 2qkf s VAL 17 Cb -0.45 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2qkf s VAL 17 CO 0.59 0.39 0.92 -0.22 0.00 0.00 0.00 175.10 176.78 2qkf s LEU 18 N 0.68 4.01 -0.67 3.92 2.96 -0.37 -1.35 118.68 127.87 2qkf s LEU 18 Ca 0.10 0.74 -0.18 0.00 -0.22 0.00 0.00 54.13 54.57 2qkf s LEU 18 Cb -0.12 -3.28 0.12 0.00 0.50 0.00 0.00 46.19 43.41 2qkf s LEU 18 CO 0.02 -0.78 0.78 -0.36 -1.32 0.00 0.00 176.35 174.68 2qkf s PHE 19 N 3.35 3.11 0.01 5.38 0.40 0.34 -1.07 117.98 129.51 2qkf s PHE 19 Ca 0.38 -1.16 0.04 0.00 -0.60 0.00 0.00 56.93 55.59 2qkf s PHE 19 Cb -0.13 -4.03 -0.02 0.00 0.51 0.00 0.00 43.02 39.36 2qkf s PHE 19 CO 0.16 -1.29 -0.13 0.20 0.70 0.00 0.00 175.22 174.86 2qkf s GLY 20 N 3.44 0.67 0.00 4.36 0.00 -0.62 -0.89 107.32 114.28 2qkf s GLY 20 Ca 0.15 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2qkf s GLY 20 CO 0.02 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2qkf n GLY 21 N 2.35 -0.57 3.41 0.20 0.00 -0.82 -1.32 105.19 108.44 2qkf n GLY 21 Ca -0.16 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2qkf n GLY 21 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qkf s ILE 22 N -0.13 1.14 0.02 -0.61 -4.36 -0.66 -1.12 121.20 115.49 2qkf s ILE 22 Ca 0.00 -2.02 -0.20 0.00 -0.26 0.00 0.00 60.65 58.17 2qkf s ILE 22 Cb 0.00 -2.66 -0.11 0.00 1.25 0.00 0.00 42.46 40.94 2qkf s ILE 22 CO 0.00 -0.09 1.17 -1.13 0.24 0.00 0.00 174.94 175.13 2qkf h ASN 23 N 2.23 -0.61 -4.25 4.36 -0.00 -1.87 -3.38 115.58 112.06 2qkf h ASN 23 Ca -0.40 0.02 -0.20 0.00 -0.00 0.00 0.00 56.30 55.72 2qkf h ASN 23 Cb 1.24 0.16 -0.25 0.00 -0.00 0.00 0.00 38.32 39.47 2qkf h ASN 23 CO 0.68 -0.40 -0.68 0.54 -0.00 0.00 0.00 177.43 177.57 2qkf s VAL 24 N -4.36 0.04 0.07 2.57 0.11 -1.26 -2.22 120.40 115.34 2qkf s VAL 24 Ca -0.11 -0.36 -0.31 0.00 -2.93 0.00 0.00 61.98 58.28 2qkf s VAL 24 Cb 0.01 -0.15 -0.07 0.00 -1.53 0.00 0.00 36.38 34.64 2qkf s VAL 24 CO 0.32 -0.20 1.46 -0.76 -3.33 0.00 0.00 175.10 172.59 2qkf s LEU 25 N -0.59 4.35 -0.01 2.54 1.43 0.64 -4.88 118.68 122.16 2qkf s LEU 25 Ca -0.07 2.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2qkf s LEU 25 Cb -0.04 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2qkf s LEU 25 CO -0.00 -0.73 -0.00 1.21 0.23 0.00 0.00 176.35 177.05 2qkf n GLU 26 N 4.79 2.11 -3.61 1.70 2.13 -1.26 -1.63 120.64 124.86 2qkf n GLU 26 Ca 0.13 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.88 2qkf n GLU 26 Cb 0.42 -1.03 -0.02 0.00 0.27 0.00 0.00 31.44 31.08 2qkf n GLU 26 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2qkf s SER 27 N -3.61 -0.36 0.08 4.31 1.04 -1.26 -4.78 113.70 109.12 2qkf s SER 27 Ca -0.01 -0.21 -0.20 0.00 0.48 0.00 0.00 55.95 56.01 2qkf s SER 27 Cb 0.00 0.53 -0.09 0.00 0.10 0.00 0.00 66.02 66.57 2qkf s SER 27 CO 0.05 -0.92 1.56 0.25 0.98 0.00 0.00 173.24 175.16 2qkf h LEU 28 N 2.00 0.32 -0.43 2.42 5.85 -1.98 -2.73 115.31 120.77 2qkf h LEU 28 Ca -0.25 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.13 2qkf h LEU 28 Cb 1.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2qkf h LEU 28 CO 0.30 0.49 -0.09 0.44 -0.34 0.00 0.00 178.44 179.24 2qkf h ASP 29 N 0.14 0.82 -0.70 1.25 3.32 -1.99 0.62 116.42 119.89 2qkf h ASP 29 Ca 0.06 -0.36 -0.07 0.00 0.02 0.00 0.00 57.03 56.69 2qkf h ASP 29 Cb 0.30 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2qkf h ASP 29 CO 0.00 0.98 0.16 0.28 -1.72 0.00 0.00 179.24 178.95 2qkf h SER 30 N 0.64 1.07 -0.12 6.45 0.02 -1.98 -1.51 113.55 118.11 2qkf h SER 30 Ca 0.11 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2qkf h SER 30 Cb 0.62 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2qkf h SER 30 CO 0.04 1.03 0.03 0.74 -1.14 0.00 0.00 176.83 177.53 2qkf h THR 31 N 1.06 1.20 -0.63 -2.27 2.02 -1.19 -1.59 112.91 111.52 2qkf h THR 31 Ca 0.22 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2qkf h THR 31 Cb 0.39 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 2qkf h THR 31 CO 0.00 0.18 0.23 -0.07 0.37 0.00 0.00 175.52 176.24 2qkf h LEU 32 N -0.00 0.86 0.14 2.58 3.38 -0.78 0.33 115.31 121.81 2qkf h LEU 32 Ca 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2qkf h LEU 32 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2qkf h LEU 32 CO 0.00 0.78 -0.07 -0.61 0.09 0.00 0.00 178.44 178.64 2qkf h GLN 33 N 0.91 -0.18 -0.36 1.13 4.15 -1.23 -0.31 115.11 119.22 2qkf h GLN 33 Ca 0.21 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.65 2qkf h GLN 33 Cb 0.21 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 2qkf h GLN 33 CO -0.02 0.12 0.23 1.15 -1.93 0.00 0.00 178.83 178.39 2qkf h THR 34 N -0.48 1.09 -0.41 2.39 2.02 -1.17 -2.50 112.91 113.86 2qkf h THR 34 Ca -0.02 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2qkf h THR 34 Cb 0.38 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2qkf h THR 34 CO 0.03 0.09 0.14 0.00 0.37 0.00 0.00 175.52 176.15 2qkf h ALA 36 N 1.59 0.93 -0.00 0.00 0.00 -0.74 -1.06 119.26 119.97 2qkf h ALA 36 Ca 0.14 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qkf h ALA 36 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qkf h ALA 36 CO -0.01 0.63 0.00 1.25 0.00 0.00 0.00 179.25 181.11 2qkf h HIS 37 N 0.79 0.00 -0.64 0.00 6.17 -0.95 -1.85 115.15 118.67 2qkf h HIS 37 Ca 0.13 -0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.32 2qkf h HIS 37 Cb 0.60 -0.00 -0.08 0.00 2.52 0.00 0.00 27.41 30.45 2qkf h HIS 37 CO 0.03 0.04 0.24 1.88 0.71 0.00 0.00 177.93 180.84 2qkf h TYR 38 N -0.04 0.42 -0.37 5.26 -1.99 -1.31 -1.83 116.97 117.12 2qkf h TYR 38 Ca 0.00 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 2qkf h TYR 38 Cb 0.04 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 2qkf h TYR 38 CO -0.06 0.10 -0.02 0.28 -0.00 0.00 0.00 178.16 178.45 2qkf h VAL 39 N 0.42 1.26 0.00 -2.88 2.07 -1.07 -0.94 116.25 115.12 2qkf h VAL 39 Ca 0.33 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2qkf h VAL 39 Cb 0.42 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2qkf h VAL 39 CO -0.33 0.34 -0.00 -0.08 0.02 0.00 0.00 177.57 177.53 2qkf h GLU 40 N 0.47 -0.01 0.25 1.57 4.22 -1.25 0.21 114.58 120.04 2qkf h GLU 40 Ca 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.53 2qkf h GLU 40 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2qkf h GLU 40 CO 0.02 0.18 -0.12 0.28 -2.18 0.00 0.00 179.01 177.19 2qkf h VAL 41 N -0.19 0.78 -0.55 0.32 2.07 -1.35 -2.43 116.25 114.90 2qkf h VAL 41 Ca -0.00 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.30 2qkf h VAL 41 Cb 0.19 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2qkf h VAL 41 CO 0.00 0.03 0.04 0.71 0.02 0.00 0.00 177.57 178.37 2qkf h THR 42 N -0.40 1.25 0.05 2.57 1.35 -1.15 -2.06 112.91 114.52 2qkf h THR 42 Ca -0.03 -1.02 0.01 0.00 -0.55 0.00 0.00 66.41 64.81 2qkf h THR 42 Cb 0.30 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.50 2qkf h THR 42 CO 0.06 0.37 -0.10 0.03 -0.25 0.00 0.00 175.52 175.62 2qkf h ARG 43 N 0.86 -0.19 -0.53 4.72 2.47 -0.49 0.11 114.38 121.32 2qkf h ARG 43 Ca 0.17 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.86 2qkf h ARG 43 Cb 0.45 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 2qkf h ARG 43 CO 0.02 -0.13 0.17 0.87 0.56 0.00 0.00 179.97 181.46 2qkf h LYS 44 N -0.20 0.78 0.00 0.04 1.79 -1.35 -1.96 116.57 115.67 2qkf h LYS 44 Ca 0.02 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2qkf h LYS 44 Cb 0.22 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2qkf h LYS 44 CO -0.07 0.67 0.00 -0.07 -1.08 0.00 0.00 179.45 178.91 2qkf h LEU 45 N 0.76 0.00 0.21 2.94 3.38 -1.14 -3.47 115.31 117.99 2qkf h LEU 45 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2qkf h LEU 45 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qkf h LEU 45 CO -0.01 0.00 -0.05 0.61 0.09 0.00 0.00 178.44 179.08 2qkf n GLY 46 N 1.11 0.32 3.47 0.83 0.00 0.27 -5.04 105.19 106.15 2qkf n GLY 46 Ca 0.05 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 2qkf n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qkf s ILE 47 N -2.15 4.36 0.44 -0.61 1.01 -0.58 -5.04 121.20 118.62 2qkf s ILE 47 Ca 0.00 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.23 2qkf s ILE 47 Cb -0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 2qkf s ILE 47 CO 0.00 0.36 1.45 -2.84 0.00 0.00 0.00 174.94 173.92 2qkf s PRO 48 N 1.42 3.77 -0.01 2.79 0.02 -1.26 -4.57 135.00 137.16 2qkf s PRO 48 Ca 0.05 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.56 2qkf s PRO 48 Cb -0.15 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.65 2qkf s PRO 48 CO 0.03 -0.77 -0.03 -0.47 -0.33 0.00 0.00 177.00 175.43 2qkf s TYR 49 N -1.18 0.30 -0.09 6.54 5.04 -1.26 -1.24 117.35 125.46 2qkf s TYR 49 Ca 0.59 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 2qkf s TYR 49 Cb -0.45 -0.23 0.02 0.00 0.35 0.00 0.00 41.96 41.65 2qkf s TYR 49 CO 0.59 -0.03 -0.08 0.42 -1.34 0.00 0.00 175.55 175.11 2qkf s ILE 50 N 0.13 0.96 0.05 3.14 1.01 -0.23 -4.32 121.20 121.94 2qkf s ILE 50 Ca -0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2qkf s ILE 50 Cb -0.04 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 2qkf s ILE 50 CO -0.00 0.34 0.96 0.12 0.00 0.00 0.00 174.94 176.36 2qkf s PHE 51 N 1.33 3.73 -0.06 3.97 5.36 -0.53 -1.59 117.98 130.19 2qkf s PHE 51 Ca -0.03 1.73 0.04 0.00 -0.96 0.00 0.00 56.93 57.72 2qkf s PHE 51 Cb -0.14 -3.07 -0.02 0.00 -0.34 0.00 0.00 43.02 39.45 2qkf s PHE 51 CO -0.04 0.10 -0.18 0.21 -1.46 0.00 0.00 175.22 173.86 2qkf s LYS 52 N 0.49 2.64 -0.11 10.12 2.36 -0.44 -0.74 119.74 134.06 2qkf s LYS 52 Ca 0.49 -0.77 -0.30 0.00 -2.55 0.00 0.00 55.97 52.84 2qkf s LYS 52 Cb -0.22 -2.34 0.10 0.00 -1.05 0.00 0.00 37.83 34.32 2qkf s LYS 52 CO 0.29 0.49 0.86 0.00 1.55 0.00 0.00 175.35 178.54 2qkf s ALA 53 N -0.39 -1.86 0.16 3.13 0.00 -1.06 -1.65 121.76 120.09 2qkf s ALA 53 Ca 0.04 1.47 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 2qkf s ALA 53 Cb -0.12 -0.41 -0.07 0.00 0.00 0.00 0.00 23.12 22.52 2qkf s ALA 53 CO 0.02 -0.34 0.60 -1.12 0.00 0.00 0.00 175.76 174.92 2qkf s SER 54 N -1.16 6.92 0.11 0.00 0.01 -0.94 -4.25 113.70 114.38 2qkf s SER 54 Ca -0.05 1.19 0.24 0.00 1.31 0.00 0.00 55.95 58.64 2qkf s SER 54 Cb -0.00 -2.33 0.41 0.00 0.21 0.00 0.00 66.02 64.31 2qkf s SER 54 CO 0.05 0.10 1.37 2.22 0.41 0.00 0.00 173.24 177.39 2qkf n PHE 55 N 0.88 0.49 -3.68 2.43 1.16 -1.26 -0.26 117.46 117.21 2qkf n PHE 55 Ca -0.05 0.14 -0.10 0.00 -1.87 0.00 0.00 57.45 55.58 2qkf n PHE 55 Cb 0.51 -0.62 -0.10 0.00 -1.61 0.00 0.00 39.48 37.67 2qkf n PHE 55 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2qkf s ASP 56 N -4.05 -0.60 -0.65 5.98 2.15 -1.26 -1.10 116.67 117.14 2qkf s ASP 56 Ca 0.07 1.02 -0.20 0.00 0.43 0.00 0.00 52.55 53.87 2qkf s ASP 56 Cb 0.14 0.91 0.09 0.00 -0.30 0.00 0.00 42.92 43.76 2qkf s ASP 56 CO 0.71 -0.20 0.84 -0.54 -0.17 0.00 0.00 175.17 175.81 2qkf s LYS 57 N 1.47 3.12 0.00 4.34 -0.14 0.10 -4.94 119.74 123.69 2qkf s LYS 57 Ca -0.10 -1.17 0.28 0.00 -1.36 0.00 0.00 55.97 53.63 2qkf s LYS 57 Cb -0.08 -4.30 1.15 0.00 -1.68 0.00 0.00 37.83 32.93 2qkf s LYS 57 CO -0.14 -1.67 1.85 0.00 -0.76 0.00 0.00 175.35 174.63 2qkf n ALA 58 N 6.88 2.59 -2.69 5.17 0.00 -1.26 -4.16 120.51 127.05 2qkf n ALA 58 Ca -0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 2qkf n ALA 58 Cb 0.44 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.53 2qkf n ALA 58 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qkf n ASN 59 N -1.42 2.02 -4.65 0.00 0.23 -1.26 -5.10 115.26 105.08 2qkf n ASN 59 Ca 0.08 -2.48 -0.29 0.00 -0.53 0.00 0.00 54.58 51.36 2qkf n ASN 59 Cb 0.32 -0.48 0.18 0.00 -2.08 0.00 0.00 39.78 37.72 2qkf n ASN 59 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2qkf s ARG 60 N -3.57 0.52 0.40 -3.83 1.81 -1.26 -4.95 118.95 108.08 2qkf s ARG 60 Ca 0.30 0.86 0.22 0.00 -1.72 0.00 0.00 55.73 55.40 2qkf s ARG 60 Cb 0.37 -1.72 0.47 0.00 -0.45 0.00 0.00 34.95 33.62 2qkf s ARG 60 CO -0.02 -2.76 1.64 0.66 -0.68 0.00 0.00 175.30 174.15 2qkf h SER 61 N -1.93 0.00 -4.21 0.23 4.64 -1.98 -3.44 113.55 106.87 2qkf h SER 61 Ca -0.53 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.19 2qkf h SER 61 Cb 1.30 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.15 2qkf h SER 61 CO 0.52 0.19 -0.85 -0.55 -0.87 0.00 0.00 176.83 175.28 2qkf s SER 62 N -6.22 2.71 0.51 4.97 0.15 -1.26 -5.01 113.70 109.54 2qkf s SER 62 Ca 0.04 -0.61 0.34 0.00 0.70 0.00 0.00 55.95 56.42 2qkf s SER 62 Cb 0.07 -0.20 1.53 0.00 -1.71 0.00 0.00 66.02 65.71 2qkf s SER 62 CO 0.67 0.15 2.00 0.16 1.20 0.00 0.00 173.24 177.43 2qkf h ILE 63 N 4.19 0.00 0.00 6.45 3.07 -2.03 -2.85 117.51 126.35 2qkf h ILE 63 Ca -0.45 -0.32 -0.00 0.00 1.55 0.00 0.00 64.86 65.63 2qkf h ILE 63 Cb 1.16 1.24 -0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2qkf h ILE 63 CO 0.42 0.00 -1.02 1.41 -1.05 0.00 0.00 178.15 177.91 2qkf n HIS 64 N -2.89 0.97 -1.61 0.16 8.25 -1.26 -4.96 115.22 113.87 2qkf n HIS 64 Ca -0.00 0.28 -0.45 0.00 -0.26 0.00 0.00 57.72 57.29 2qkf n HIS 64 Cb 0.22 -0.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.36 2qkf n HIS 64 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2qkf n SER 65 N -2.68 1.65 -4.71 0.41 7.64 -1.08 -4.91 113.62 109.95 2qkf n SER 65 Ca -0.00 1.17 -0.43 0.00 1.01 0.00 0.00 58.87 60.62 2qkf n SER 65 Cb 0.55 -1.32 -0.02 0.00 -1.01 0.00 0.00 64.21 62.41 2qkf n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qkf n TYR 66 N 0.59 2.61 0.31 1.43 9.36 -1.26 -4.93 117.16 125.27 2qkf n TYR 66 Ca 0.10 0.26 0.04 0.00 3.32 0.00 0.00 57.90 61.62 2qkf n TYR 66 Cb 0.31 -2.57 0.05 0.00 -0.63 0.00 0.00 39.34 36.50 2qkf n TYR 66 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2qkf n ARG 67 N 2.58 0.51 0.00 2.98 1.74 -1.26 -4.90 116.66 118.31 2qkf n ARG 67 Ca 0.11 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 2qkf n ARG 67 Cb 0.34 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2qkf n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qkf n GLY 68 N 0.47 -2.94 0.11 -0.13 0.00 -1.26 -0.00 105.19 101.44 2qkf n GLY 68 Ca 0.06 -2.14 0.12 0.00 0.00 0.00 0.00 46.02 44.06 2qkf n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qkf n VAL 69 N -0.11 0.67 0.00 1.61 0.24 -0.65 -4.95 118.33 115.14 2qkf n VAL 69 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2qkf n VAL 69 Cb 0.00 -0.82 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 2qkf n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qkf n GLY 70 N 0.76 -0.74 0.11 7.63 0.00 -0.26 -4.46 105.19 108.23 2qkf n GLY 70 Ca 0.04 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 2qkf n GLY 70 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qkf h LEU 71 N 0.00 0.27 0.24 0.99 6.46 -1.96 0.88 115.31 122.18 2qkf h LEU 71 Ca 0.00 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.32 2qkf h LEU 71 Cb 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2qkf h LEU 71 CO 0.00 0.64 -0.11 -0.08 -0.62 0.00 0.00 178.44 178.27 2qkf h GLU 72 N -0.10 -0.31 -0.48 1.25 4.81 -1.97 -0.80 114.58 116.99 2qkf h GLU 72 Ca 0.03 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2qkf h GLU 72 Cb 0.55 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 2qkf h GLU 72 CO 0.02 -0.03 0.13 0.93 -0.73 0.00 0.00 179.01 179.33 2qkf h GLU 73 N -0.57 0.27 -0.19 1.92 3.07 -1.78 -2.94 114.58 114.35 2qkf h GLU 73 Ca -0.03 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.86 2qkf h GLU 73 Cb 0.42 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.21 2qkf h GLU 73 CO 0.05 0.18 -0.19 0.78 -1.40 0.00 0.00 179.01 178.43 2qkf h GLY 74 N 0.28 -0.10 2.00 -3.84 0.00 -0.38 -0.96 103.07 100.07 2qkf h GLY 74 Ca 0.23 0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 2qkf h GLY 74 CO -0.28 -0.18 -0.29 1.41 0.00 0.00 0.00 176.54 177.21 2qkf h LEU 75 N -0.21 0.00 -0.14 3.11 3.38 -1.17 -0.12 115.31 120.16 2qkf h LEU 75 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2qkf h LEU 75 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2qkf h LEU 75 CO -0.32 0.29 0.07 0.11 0.09 0.00 0.00 178.44 178.68 2qkf h LYS 76 N 0.00 0.20 -0.36 1.13 1.57 -1.19 -0.95 116.57 116.97 2qkf h LYS 76 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2qkf h LYS 76 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2qkf h LYS 76 CO 0.04 0.23 0.19 0.82 -0.57 0.00 0.00 179.45 180.16 2qkf h ILE 77 N 0.11 1.15 -0.77 1.86 2.04 -0.58 -2.50 117.51 118.82 2qkf h ILE 77 Ca 0.05 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.57 2qkf h ILE 77 Cb 0.10 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2qkf h ILE 77 CO -0.01 0.15 0.47 -0.26 0.00 0.00 0.00 178.15 178.51 2qkf h PHE 78 N 0.45 0.88 -0.78 1.37 -1.00 -1.03 -0.55 116.94 116.28 2qkf h PHE 78 Ca 0.13 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.96 2qkf h PHE 78 Cb 0.07 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.30 2qkf h PHE 78 CO -0.03 0.46 0.50 0.93 -1.61 0.00 0.00 178.31 178.57 2qkf h GLU 79 N 0.89 0.95 -0.37 1.51 5.08 -0.95 -1.00 114.58 120.69 2qkf h GLU 79 Ca 0.33 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2qkf h GLU 79 Cb 0.11 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2qkf h GLU 79 CO -0.15 0.63 -0.31 0.87 -1.00 0.00 0.00 179.01 179.05 2qkf h LYS 80 N 0.98 0.86 -0.67 2.33 1.57 -1.13 -1.61 116.57 118.89 2qkf h LYS 80 Ca 0.31 -0.43 0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2qkf h LYS 80 Cb 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 2qkf h LYS 80 CO -0.11 1.08 0.36 0.28 -0.57 0.00 0.00 179.45 180.48 2qkf h VAL 81 N 0.66 0.92 -0.27 0.50 2.07 -0.85 -0.88 116.25 118.40 2qkf h VAL 81 Ca 0.07 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2qkf h VAL 81 Cb 0.89 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2qkf h VAL 81 CO 0.08 0.12 -0.15 0.11 0.02 0.00 0.00 177.57 177.74 2qkf h LYS 82 N 0.64 0.58 0.50 1.57 1.57 -1.06 -1.83 116.57 118.54 2qkf h LYS 82 Ca 0.31 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2qkf h LYS 82 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2qkf h LYS 82 CO -0.21 0.84 -0.26 0.00 -0.57 0.00 0.00 179.45 179.24 2qkf h ALA 83 N 0.73 -0.70 -0.41 3.86 0.00 -1.11 0.26 119.26 121.88 2qkf h ALA 83 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2qkf h ALA 83 Cb 0.68 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2qkf h ALA 83 CO 0.04 -0.90 0.14 1.49 0.00 0.00 0.00 179.25 180.03 2qkf h GLU 84 N -0.70 0.63 0.00 0.00 4.81 -1.20 -3.34 114.58 114.78 2qkf h GLU 84 Ca -0.06 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2qkf h GLU 84 Cb 0.55 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2qkf h GLU 84 CO 0.09 0.61 -1.65 1.19 -0.73 0.00 0.00 179.01 178.53 2qkf n PHE 85 N -4.60 0.00 -2.15 0.92 3.01 -0.69 -5.00 117.46 108.94 2qkf n PHE 85 Ca -0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 2qkf n PHE 85 Cb 0.17 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 2qkf n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qkf n GLY 86 N 1.50 0.01 3.71 1.37 0.00 0.93 -5.02 105.19 107.69 2qkf n GLY 86 Ca -0.02 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2qkf n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qkf s ILE 87 N -2.65 3.91 0.74 -0.61 -4.36 -1.26 -5.07 121.20 111.90 2qkf s ILE 87 Ca 0.00 -1.53 -0.11 0.00 -0.26 0.00 0.00 60.65 58.75 2qkf s ILE 87 Cb 0.00 -3.05 0.03 0.00 1.25 0.00 0.00 42.46 40.70 2qkf s ILE 87 CO 0.00 -0.25 1.08 -2.84 0.24 0.00 0.00 174.94 173.17 2qkf s PRO 88 N -3.41 2.56 0.14 0.37 0.02 -1.26 -4.62 135.00 128.81 2qkf s PRO 88 Ca 0.30 0.78 0.03 0.00 0.02 0.00 0.00 61.00 62.13 2qkf s PRO 88 Cb -0.08 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 2qkf s PRO 88 CO 0.21 -1.32 -0.06 0.14 -0.33 0.00 0.00 177.00 175.65 2qkf s VAL 89 N -3.12 0.89 -0.02 3.83 -7.23 -1.26 -1.46 120.40 112.04 2qkf s VAL 89 Ca 0.59 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 2qkf s VAL 89 Cb -0.14 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.92 2qkf s VAL 89 CO 0.54 -0.70 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.10 2qkf s ILE 90 N -3.51 0.30 0.10 -0.62 2.07 0.08 -1.67 121.20 117.95 2qkf s ILE 90 Ca 0.18 -0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.27 2qkf s ILE 90 Cb 0.04 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 2qkf s ILE 90 CO 0.00 0.12 0.13 0.28 -1.91 0.00 0.00 174.94 173.56 2qkf s THR 91 N 0.36 0.14 0.28 4.00 -1.32 -1.11 -2.56 115.64 115.44 2qkf s THR 91 Ca -0.04 -1.50 -0.02 0.00 -1.21 0.00 0.00 61.69 58.92 2qkf s THR 91 Cb -0.07 -1.59 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 2qkf s THR 91 CO -0.01 -0.66 0.51 1.51 -2.21 0.00 0.00 174.62 173.77 2qkf s ASP 92 N -2.92 6.39 0.02 8.08 -4.77 -1.26 -1.22 116.67 120.98 2qkf s ASP 92 Ca 0.11 0.56 0.07 0.00 -3.30 0.00 0.00 52.55 49.98 2qkf s ASP 92 Cb 0.06 -2.08 -0.02 0.00 -1.09 0.00 0.00 42.92 39.79 2qkf s ASP 92 CO -0.07 -0.19 -0.20 0.68 0.70 0.00 0.00 175.17 176.10 2qkf s VAL 93 N -2.10 1.59 -0.05 2.11 -7.23 -0.91 -4.78 120.40 109.03 2qkf s VAL 93 Ca 0.41 -1.05 0.01 0.00 -1.81 0.00 0.00 61.98 59.55 2qkf s VAL 93 Cb -0.10 -1.36 -0.01 0.00 0.56 0.00 0.00 36.38 35.47 2qkf s VAL 93 CO 0.32 0.28 0.06 1.41 -0.31 0.00 0.00 175.10 176.86 2qkf n HIS 94 N 2.14 0.00 -3.88 2.82 8.25 -1.26 -4.40 115.22 118.89 2qkf n HIS 94 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.16 2qkf n HIS 94 Cb 0.53 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.50 2qkf n HIS 94 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qkf s GLU 95 N -1.05 0.05 0.34 -0.41 2.02 -1.26 -5.06 118.70 113.32 2qkf s GLU 95 Ca 0.00 0.03 0.11 0.00 0.02 0.00 0.00 54.97 55.13 2qkf s GLU 95 Cb 0.01 -0.11 0.92 0.00 0.10 0.00 0.00 34.13 35.05 2qkf s GLU 95 CO 0.04 -0.03 1.75 -1.35 0.02 0.00 0.00 175.26 175.68 2qkf h PRO 96 N 6.43 0.54 0.00 0.39 0.11 -1.91 -2.05 132.00 135.52 2qkf h PRO 96 Ca -0.30 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 2qkf h PRO 96 Cb 1.19 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2qkf h PRO 96 CO 0.50 0.36 -0.25 1.12 -0.21 0.00 0.00 178.00 179.52 2qkf h HIS 97 N 0.56 0.00 0.00 0.65 2.07 -1.97 -2.63 115.15 113.83 2qkf h HIS 97 Ca 0.62 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.11 2qkf h HIS 97 Cb 1.25 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.23 2qkf h HIS 97 CO -0.00 0.25 -0.17 1.96 -3.07 0.00 0.00 177.93 176.90 2qkf h GLN 98 N 0.00 0.00 0.41 5.12 4.20 -1.80 -3.39 115.11 119.65 2qkf h GLN 98 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2qkf h GLN 98 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2qkf h GLN 98 CO 0.03 0.17 -0.31 0.00 -0.67 0.00 0.00 178.83 178.05 2qkf h GLN 100 N -0.71 0.39 -0.76 0.00 5.75 -1.80 0.17 115.11 118.15 2qkf h GLN 100 Ca -0.04 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.34 2qkf h GLN 100 Cb 0.61 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 2qkf h GLN 100 CO 0.01 0.44 0.30 -1.00 -2.65 0.00 0.00 178.83 175.92 2qkf h PRO 101 N 0.26 1.14 -0.71 -2.39 0.13 -1.79 -1.88 132.00 126.76 2qkf h PRO 101 Ca 0.08 -0.21 -0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2qkf h PRO 101 Cb 0.20 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2qkf h PRO 101 CO -0.01 0.93 0.43 0.28 -0.23 0.00 0.00 178.00 179.40 2qkf h VAL 102 N 1.10 1.21 0.00 1.56 2.07 -1.22 -3.01 116.25 117.96 2qkf h VAL 102 Ca 0.25 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2qkf h VAL 102 Cb 0.22 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2qkf h VAL 102 CO -0.02 0.21 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 2qkf h ALA 103 N 1.22 1.13 0.00 1.67 0.00 -0.58 0.47 119.26 123.16 2qkf h ALA 103 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2qkf h ALA 103 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2qkf h ALA 103 CO -0.05 0.14 -0.22 0.93 0.00 0.00 0.00 179.25 180.05 2qkf h GLU 104 N 0.00 0.00 0.00 0.00 4.39 -1.20 -3.35 114.58 114.41 2qkf h GLU 104 Ca -0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 2qkf h GLU 104 Cb 0.44 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 2qkf h GLU 104 CO 0.01 0.22 -2.22 0.28 -1.16 0.00 0.00 179.01 176.15 2qkf n VAL 105 N -4.19 1.22 -3.22 3.13 0.31 -0.95 -4.99 118.33 109.65 2qkf n VAL 105 Ca -0.02 -0.30 -0.40 0.00 -0.01 0.00 0.00 64.34 63.61 2qkf n VAL 105 Cb 0.28 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.34 2qkf n VAL 105 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qkf h ASP 107 N 7.59 0.91 -3.38 0.00 5.19 -1.80 -3.41 116.42 121.53 2qkf h ASP 107 Ca -0.32 -0.07 -0.68 0.00 -0.62 0.00 0.00 57.03 55.34 2qkf h ASP 107 Cb 1.15 -0.23 -0.32 0.00 0.18 0.00 0.00 39.33 40.10 2qkf h ASP 107 CO 0.74 0.72 -0.87 -0.69 -3.12 0.00 0.00 179.24 176.02 2qkf s VAL 108 N -5.95 2.14 -0.07 -1.35 1.01 -0.67 -3.67 120.40 111.85 2qkf s VAL 108 Ca -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.87 2qkf s VAL 108 Cb 0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2qkf s VAL 108 CO 0.79 0.56 -0.09 0.27 0.00 0.00 0.00 175.10 176.63 2qkf s ILE 109 N 0.31 3.51 -0.13 2.22 -4.36 -0.55 -2.74 121.20 119.46 2qkf s ILE 109 Ca -0.17 -0.55 -0.00 0.00 -0.26 0.00 0.00 60.65 59.66 2qkf s ILE 109 Cb -0.18 -2.42 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 2qkf s ILE 109 CO 0.08 0.59 -0.13 -1.58 0.24 0.00 0.00 174.94 174.15 2qkf s GLN 110 N -0.75 3.38 -0.41 0.37 0.74 -0.36 -1.25 119.66 121.39 2qkf s GLN 110 Ca 0.11 -0.69 -0.22 0.00 0.05 0.00 0.00 55.36 54.62 2qkf s GLN 110 Cb -0.11 -2.63 0.02 0.00 1.10 0.00 0.00 33.01 31.38 2qkf s GLN 110 CO 0.01 0.20 0.72 -1.17 -0.55 0.00 0.00 175.29 174.51 2qkf s LEU 111 N 0.38 4.28 0.52 3.68 2.96 -0.14 -2.13 118.68 128.22 2qkf s LEU 111 Ca -0.11 -0.01 -0.22 0.00 -0.22 0.00 0.00 54.13 53.58 2qkf s LEU 111 Cb -0.16 -2.88 -0.06 0.00 0.50 0.00 0.00 46.19 43.58 2qkf s LEU 111 CO 0.05 -0.78 1.24 -2.65 -1.32 0.00 0.00 176.35 172.90 2qkf n PRO 112 N 6.41 1.58 -0.25 0.98 -0.02 -1.26 -2.21 135.00 140.23 2qkf n PRO 112 Ca 0.01 0.58 -0.01 0.00 -2.02 0.00 0.00 63.50 62.06 2qkf n PRO 112 Cb 0.48 -2.42 0.11 0.00 -0.02 0.00 0.00 33.50 31.65 2qkf n PRO 112 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qkf h ALA 113 N 1.42 0.97 0.00 3.55 0.00 -1.91 -1.69 119.26 121.59 2qkf h ALA 113 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qkf h ALA 113 Cb 1.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2qkf h ALA 113 CO 0.57 0.10 0.00 0.27 0.00 0.00 0.00 179.25 180.18 2qkf h PHE 114 N 0.75 0.00 -0.49 0.00 -5.15 -1.91 -3.14 116.94 107.00 2qkf h PHE 114 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 2qkf h PHE 114 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.36 2qkf h PHE 114 CO -0.07 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.52 2qkf n LEU 115 N -2.85 3.69 0.09 2.10 4.77 -0.65 -4.61 117.00 119.55 2qkf n LEU 115 Ca -0.00 -2.23 0.17 0.00 -0.03 0.00 0.00 56.01 53.93 2qkf n LEU 115 Cb 0.22 -0.41 0.71 0.00 -2.33 0.00 0.00 43.42 41.61 2qkf n LEU 115 CO 0.23 0.80 1.15 0.00 -1.33 0.00 0.00 177.39 178.24 2qkf h ALA 116 N 2.97 2.26 -0.52 -1.18 0.00 -1.47 -0.91 119.26 120.40 2qkf h ALA 116 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qkf h ALA 116 Cb 1.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qkf h ALA 116 CO 0.08 -0.46 0.00 2.89 0.00 0.00 0.00 179.25 181.76 2qkf n ARG 117 N -4.28 3.95 -2.71 0.00 1.85 -1.26 -4.73 116.66 109.48 2qkf n ARG 117 Ca 0.06 -2.93 -0.42 0.00 -1.00 0.00 0.00 57.85 53.55 2qkf n ARG 117 Cb 0.45 -1.98 -0.03 0.00 -1.05 0.00 0.00 32.46 29.85 2qkf n ARG 117 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 2qkf s GLN 118 N -2.33 3.35 0.35 2.89 -0.44 -0.35 -4.89 119.66 118.25 2qkf s GLN 118 Ca 0.49 -0.94 0.11 0.00 -2.50 0.00 0.00 55.36 52.52 2qkf s GLN 118 Cb 0.35 -4.65 0.64 0.00 -1.64 0.00 0.00 33.01 27.71 2qkf s GLN 118 CO 0.18 -2.00 1.78 1.15 0.50 0.00 0.00 175.29 176.90 2qkf h THR 119 N 6.18 1.29 -0.05 -0.34 2.02 -1.86 -2.04 112.91 118.11 2qkf h THR 119 Ca -0.07 -1.39 -0.15 0.00 0.77 0.00 0.00 66.41 65.57 2qkf h THR 119 Cb 1.04 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2qkf h THR 119 CO 1.26 0.40 -0.64 0.44 0.37 0.00 0.00 175.52 177.35 2qkf h ASP 120 N 0.05 0.21 -0.13 4.18 3.32 -1.97 -1.25 116.42 120.82 2qkf h ASP 120 Ca 0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2qkf h ASP 120 Cb 0.72 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2qkf h ASP 120 CO 0.05 0.79 0.02 0.25 -1.72 0.00 0.00 179.24 178.64 2qkf h LEU 121 N 0.13 0.21 -0.42 1.55 5.85 -1.81 -0.64 115.31 120.18 2qkf h LEU 121 Ca -0.01 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.55 2qkf h LEU 121 Cb 1.15 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 2qkf h LEU 121 CO 0.10 0.41 -0.17 0.58 -0.34 0.00 0.00 178.44 179.02 2qkf h VAL 122 N 0.00 0.46 -0.12 1.05 2.07 -1.27 0.45 116.25 118.90 2qkf h VAL 122 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 2qkf h VAL 122 Cb 0.29 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2qkf h VAL 122 CO 0.00 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.23 2qkf h VAL 123 N -0.08 1.10 -0.74 2.57 2.07 -1.12 0.20 116.25 120.24 2qkf h VAL 123 Ca 0.21 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2qkf h VAL 123 Cb 0.40 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2qkf h VAL 123 CO -0.48 0.09 0.45 0.00 0.02 0.00 0.00 177.57 177.65 2qkf h ALA 124 N 0.96 0.94 -0.31 1.67 0.00 -0.80 -1.01 119.26 120.71 2qkf h ALA 124 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2qkf h ALA 124 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qkf h ALA 124 CO -0.01 0.40 0.18 0.52 0.00 0.00 0.00 179.25 180.35 2qkf h MET 125 N 1.01 0.36 -0.83 0.00 2.86 -0.70 -3.00 114.93 114.63 2qkf h MET 125 Ca 0.27 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2qkf h MET 125 Cb -0.05 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 2qkf h MET 125 CO -0.05 0.24 0.41 0.00 1.06 0.00 0.00 176.91 178.57 2qkf h ALA 126 N 1.13 1.07 0.00 6.32 0.00 -0.50 -2.51 119.26 124.78 2qkf h ALA 126 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2qkf h ALA 126 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2qkf h ALA 126 CO -0.05 0.62 -0.08 0.87 0.00 0.00 0.00 179.25 180.61 2qkf h LYS 127 N 1.17 0.00 0.00 0.00 6.56 -1.07 -2.41 116.57 120.82 2qkf h LYS 127 Ca 0.29 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.86 2qkf h LYS 127 Cb 0.10 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2qkf h LYS 127 CO -0.04 0.08 -0.09 1.79 -2.06 0.00 0.00 179.45 179.12 2qkf h THR 128 N 0.00 0.49 0.00 -0.16 1.35 -1.33 -3.46 112.91 109.80 2qkf h THR 128 Ca -0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2qkf h THR 128 Cb 0.23 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 2qkf h THR 128 CO 0.01 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2qkf n GLY 129 N -0.73 2.44 3.71 5.82 0.00 -0.91 -5.03 105.19 110.50 2qkf n GLY 129 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qkf n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qkf s ASN 130 N -3.72 3.56 0.30 1.61 -0.87 -1.26 -4.98 114.94 109.58 2qkf s ASN 130 Ca 0.00 1.79 -0.29 0.00 -1.57 0.00 0.00 52.86 52.79 2qkf s ASN 130 Cb 0.00 -2.41 -0.11 0.00 -0.02 0.00 0.00 41.25 38.71 2qkf s ASN 130 CO 0.00 -2.63 1.45 -0.69 -2.57 0.00 0.00 177.10 172.66 2qkf s VAL 131 N -2.82 2.43 -0.09 1.60 1.01 -1.24 -4.77 120.40 116.52 2qkf s VAL 131 Ca 0.64 0.39 0.04 0.00 0.00 0.00 0.00 61.98 63.05 2qkf s VAL 131 Cb -0.19 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 2qkf s VAL 131 CO 0.57 0.08 -0.24 -0.69 0.00 0.00 0.00 175.10 174.82 2qkf s VAL 132 N -0.49 2.04 -0.40 2.92 1.01 0.09 -1.48 120.40 124.09 2qkf s VAL 132 Ca 0.56 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 2qkf s VAL 132 Cb -0.43 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2qkf s VAL 132 CO 0.50 0.56 0.44 0.21 0.00 0.00 0.00 175.10 176.81 2qkf s ASN 133 N 0.29 6.21 -0.40 3.32 2.47 -0.38 0.07 114.94 126.52 2qkf s ASN 133 Ca -0.17 -0.50 -0.19 0.00 0.42 0.00 0.00 52.86 52.42 2qkf s ASN 133 Cb -0.18 -2.23 0.01 0.00 -1.45 0.00 0.00 41.25 37.41 2qkf s ASN 133 CO 0.08 -0.53 0.52 -0.63 -3.72 0.00 0.00 177.10 172.83 2qkf s ILE 134 N 2.18 4.98 -0.13 -5.21 1.01 0.63 -0.96 121.20 123.69 2qkf s ILE 134 Ca 0.13 0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 2qkf s ILE 134 Cb -0.17 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2qkf s ILE 134 CO 0.13 -0.40 1.33 -0.54 0.00 0.00 0.00 174.94 175.46 2qkf s LYS 135 N 2.43 4.23 -0.17 2.79 -0.14 -0.94 -0.81 119.74 127.14 2qkf s LYS 135 Ca 0.17 1.77 -0.29 0.00 -1.36 0.00 0.00 55.97 56.26 2qkf s LYS 135 Cb -0.16 -3.78 -0.03 0.00 -1.68 0.00 0.00 37.83 32.18 2qkf s LYS 135 CO 0.15 -0.71 1.56 0.21 -0.76 0.00 0.00 175.35 175.80 2qkf s LYS 136 N 3.45 3.97 0.52 1.68 2.20 0.02 -4.21 119.74 127.37 2qkf s LYS 136 Ca 0.58 1.78 -0.22 0.00 -0.36 0.00 0.00 55.97 57.75 2qkf s LYS 136 Cb -0.24 -3.97 -0.06 0.00 -1.51 0.00 0.00 37.83 32.04 2qkf s LYS 136 CO 0.18 -1.08 1.29 -2.30 -0.36 0.00 0.00 175.35 173.08 2qkf n PRO 137 N 7.34 1.67 0.31 4.03 -0.02 -1.26 -4.43 135.00 142.64 2qkf n PRO 137 Ca 0.17 0.61 0.20 0.00 -2.02 0.00 0.00 63.50 62.47 2qkf n PRO 137 Cb 0.45 -2.48 0.99 0.00 -0.02 0.00 0.00 33.50 32.44 2qkf n PRO 137 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2qkf h GLN 138 N 1.50 0.00 -0.13 -0.52 3.07 -1.90 -1.79 115.11 115.34 2qkf h GLN 138 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 2qkf h GLN 138 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 2qkf h GLN 138 CO 0.57 0.00 0.00 1.97 0.09 0.00 0.00 178.83 181.46 2qkf n PHE 139 N -3.10 0.15 -4.35 0.06 1.16 -1.26 -0.83 117.46 109.29 2qkf n PHE 139 Ca -0.01 -0.07 -0.34 0.00 -1.87 0.00 0.00 57.45 55.15 2qkf n PHE 139 Cb 0.17 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.93 2qkf n PHE 139 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2qkf s LEU 140 N -1.80 3.35 0.62 5.98 2.96 -0.68 -5.05 118.68 124.07 2qkf s LEU 140 Ca 0.34 -0.08 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 2qkf s LEU 140 Cb 0.20 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 2qkf s LEU 140 CO 0.30 0.19 1.10 -0.94 -1.32 0.00 0.00 176.35 175.68 2qkf s SER 141 N 0.26 5.42 0.46 3.68 1.04 -1.26 -4.80 113.70 118.49 2qkf s SER 141 Ca -0.02 1.97 0.12 0.00 0.48 0.00 0.00 55.95 58.50 2qkf s SER 141 Cb -0.14 -2.55 1.03 0.00 0.10 0.00 0.00 66.02 64.47 2qkf s SER 141 CO 0.02 -1.42 2.07 1.55 0.98 0.00 0.00 173.24 176.44 2qkf h PRO 142 N 0.35 0.21 0.00 4.02 0.13 -1.97 -1.78 132.00 132.96 2qkf h PRO 142 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qkf h PRO 142 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qkf h PRO 142 CO 0.56 0.19 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 2qkf n SER 143 N -4.45 0.32 -0.36 1.44 3.41 -1.26 -2.88 113.62 109.83 2qkf n SER 143 Ca -0.01 0.55 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 2qkf n SER 143 Cb 0.13 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2qkf n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qkf n GLN 144 N -1.82 0.88 0.00 4.33 1.13 -0.68 -4.06 117.38 117.17 2qkf n GLN 144 Ca 0.05 -0.72 0.21 0.00 -1.94 0.00 0.00 57.00 54.60 2qkf n GLN 144 Cb 0.29 -1.49 0.70 0.00 0.11 0.00 0.00 30.24 29.86 2qkf n GLN 144 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 2qkf h MET 145 N 1.75 0.00 0.00 -1.09 4.05 -1.43 -1.46 114.93 116.75 2qkf h MET 145 Ca 0.00 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2qkf h MET 145 Cb 0.68 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 2qkf h MET 145 CO 0.00 0.00 -0.04 1.57 0.23 0.00 0.00 176.91 178.67 2qkf h LYS 146 N 0.00 0.00 -0.47 0.39 2.10 -1.79 -2.14 116.57 114.67 2qkf h LYS 146 Ca 0.25 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.83 2qkf h LYS 146 Cb 1.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 2qkf h LYS 146 CO -0.00 0.04 -0.01 -0.91 -2.00 0.00 0.00 179.45 176.56 2qkf h ASN 147 N 0.00 0.75 -0.04 7.07 2.35 -1.55 0.17 115.58 124.32 2qkf h ASN 147 Ca -0.00 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2qkf h ASN 147 Cb 0.08 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2qkf h ASN 147 CO 0.00 0.82 -0.22 0.40 -1.65 0.00 0.00 177.43 176.79 2qkf h ILE 148 N 0.72 1.46 -0.65 2.81 2.04 -1.53 -2.91 117.51 119.45 2qkf h ILE 148 Ca 0.14 -1.68 0.10 0.00 1.00 0.00 0.00 64.86 64.42 2qkf h ILE 148 Cb 0.46 2.43 -0.07 0.00 -0.74 0.00 0.00 36.82 38.89 2qkf h ILE 148 CO 0.02 0.47 0.27 0.58 0.00 0.00 0.00 178.15 179.49 2qkf h VAL 149 N -0.33 0.78 -0.76 1.67 2.07 -1.36 -1.76 116.25 116.57 2qkf h VAL 149 Ca -0.01 -0.16 0.12 0.00 0.82 0.00 0.00 66.70 67.46 2qkf h VAL 149 Cb 0.88 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2qkf h VAL 149 CO 0.05 0.09 0.36 -0.33 0.02 0.00 0.00 177.57 177.75 2qkf h GLU 150 N 0.47 0.56 -0.27 1.57 5.08 -0.67 -0.50 114.58 120.81 2qkf h GLU 150 Ca 0.33 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2qkf h GLU 150 Cb 0.40 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2qkf h GLU 150 CO -0.30 0.37 0.05 0.87 -1.00 0.00 0.00 179.01 178.99 2qkf h LYS 151 N 0.57 0.45 -0.81 2.33 1.57 -1.14 -0.00 116.57 119.54 2qkf h LYS 151 Ca 0.39 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2qkf h LYS 151 Cb 0.50 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2qkf h LYS 151 CO -0.32 0.56 0.51 0.74 -0.57 0.00 0.00 179.45 180.37 2qkf h PHE 152 N 0.27 1.05 -0.62 -1.35 -1.00 -1.08 -0.62 116.94 113.59 2qkf h PHE 152 Ca 0.08 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 2qkf h PHE 152 Cb 0.32 -0.35 -0.03 0.00 3.61 0.00 0.00 35.95 39.51 2qkf h PHE 152 CO 0.02 0.69 0.22 0.45 -1.61 0.00 0.00 178.31 178.08 2qkf h HIS 153 N 1.11 0.97 -0.44 -0.55 3.86 -0.83 -1.37 115.15 117.91 2qkf h HIS 153 Ca 0.29 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 2qkf h HIS 153 Cb -0.08 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 2qkf h HIS 153 CO -0.01 0.79 0.13 1.49 0.86 0.00 0.00 177.93 181.19 2qkf h GLU 154 N 0.88 0.65 -0.08 2.45 4.57 -0.78 -2.02 114.58 120.24 2qkf h GLU 154 Ca 0.20 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2qkf h GLU 154 Cb 0.25 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2qkf h GLU 154 CO -0.01 0.57 0.00 0.00 -1.18 0.00 0.00 179.01 178.39 2qkf n ALA 155 N -2.47 2.56 -0.52 2.92 0.00 -0.26 -4.94 120.51 117.81 2qkf n ALA 155 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2qkf n ALA 155 Cb 0.18 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2qkf n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qkf n GLY 156 N 0.94 0.71 3.03 0.00 0.00 -0.69 -4.55 105.19 104.62 2qkf n GLY 156 Ca 0.14 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2qkf n GLY 156 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qkf s ASN 157 N -2.28 2.66 -0.01 1.61 3.84 -0.60 -4.99 114.94 115.17 2qkf s ASN 157 Ca 0.00 -0.48 0.06 0.00 0.21 0.00 0.00 52.86 52.65 2qkf s ASN 157 Cb 0.00 -1.17 0.18 0.00 -0.55 0.00 0.00 41.25 39.70 2qkf s ASN 157 CO 0.00 -0.04 1.15 0.61 -2.79 0.00 0.00 177.10 176.02 2qkf n GLY 158 N 4.67 2.95 3.09 1.21 0.00 -1.26 -3.59 105.19 112.27 2qkf n GLY 158 Ca -0.17 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 2qkf n GLY 158 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qkf n LYS 159 N -0.00 3.87 -5.18 1.61 5.02 -1.26 -4.97 118.16 117.24 2qkf n LYS 159 Ca 0.07 -4.10 -0.30 0.00 -2.02 0.00 0.00 58.31 51.96 2qkf n LYS 159 Cb 0.37 -2.73 -0.16 0.00 -0.02 0.00 0.00 35.03 32.48 2qkf n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qkf s LEU 160 N -1.00 2.04 -0.09 -0.35 1.43 -1.26 -0.73 118.68 118.72 2qkf s LEU 160 Ca 0.36 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2qkf s LEU 160 Cb 0.03 -1.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2qkf s LEU 160 CO 0.03 0.24 -0.08 -0.63 0.23 0.00 0.00 176.35 176.14 2qkf s ILE 161 N -0.23 3.60 -0.27 -0.59 1.01 0.11 -4.10 121.20 120.73 2qkf s ILE 161 Ca -0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2qkf s ILE 161 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 2qkf s ILE 161 CO 0.02 0.57 0.14 -0.76 0.00 0.00 0.00 174.94 174.92 2qkf s LEU 162 N -0.49 3.80 -0.32 2.97 1.43 0.41 -0.27 118.68 126.21 2qkf s LEU 162 Ca 0.07 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2qkf s LEU 162 Cb -0.12 -2.03 0.07 0.00 0.03 0.00 0.00 46.19 44.14 2qkf s LEU 162 CO 0.02 -0.06 0.04 0.00 0.23 0.00 0.00 176.35 176.58 2qkf s GLU 164 N 1.18 4.25 -0.00 0.00 2.56 -0.24 -0.80 118.70 125.65 2qkf s GLU 164 Ca -0.01 2.32 0.03 0.00 0.00 0.00 0.00 54.97 57.31 2qkf s GLU 164 Cb -0.20 -3.11 0.05 0.00 2.00 0.00 0.00 34.13 32.86 2qkf s GLU 164 CO -0.03 -0.46 1.02 2.89 -0.56 0.00 0.00 175.26 178.12 2qkf n ARG 165 N 2.58 0.04 0.00 4.30 -4.01 -1.26 -0.40 116.66 117.91 2qkf n ARG 165 Ca 0.08 -1.14 0.00 0.00 -1.04 0.00 0.00 57.85 55.75 2qkf n ARG 165 Cb 0.40 -0.49 0.00 0.00 -3.04 0.00 0.00 32.46 29.33 2qkf n ARG 165 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2qkf n GLY 166 N -0.00 1.22 3.16 2.89 0.00 -1.26 -3.30 105.19 107.90 2qkf n GLY 166 Ca 0.01 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 2qkf n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qkf s SER 167 N -0.67 1.98 0.17 1.61 0.01 0.60 -4.09 113.70 113.32 2qkf s SER 167 Ca 0.00 -0.34 -0.33 0.00 1.31 0.00 0.00 55.95 56.58 2qkf s SER 167 Cb 0.00 -0.20 -0.14 0.00 0.21 0.00 0.00 66.02 65.89 2qkf s SER 167 CO 0.00 0.18 1.54 -0.24 0.41 0.00 0.00 173.24 175.13 2qkf n SER 168 N 2.49 2.98 -3.59 2.44 2.88 -0.01 -0.83 113.62 119.98 2qkf n SER 168 Ca -0.15 1.10 -0.29 0.00 -1.33 0.00 0.00 58.87 58.19 2qkf n SER 168 Cb 0.54 -1.42 -0.13 0.00 -0.75 0.00 0.00 64.21 62.45 2qkf n SER 168 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2qkf s PHE 169 N 0.71 1.25 0.00 0.66 5.36 -0.54 -4.82 117.98 120.60 2qkf s PHE 169 Ca 0.77 -1.84 0.00 0.00 -0.96 0.00 0.00 56.93 54.90 2qkf s PHE 169 Cb -0.68 -1.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 2qkf s PHE 169 CO 0.40 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.75 2qkf n GLY 170 N 4.11 1.58 3.84 13.12 0.00 -1.26 -4.19 105.19 122.38 2qkf n GLY 170 Ca 0.07 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 2qkf n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qkf s TYR 171 N 0.00 3.69 -1.34 1.61 2.02 -1.26 -4.53 117.35 117.53 2qkf s TYR 171 Ca 0.00 1.03 0.00 0.00 -0.37 0.00 0.00 57.07 57.73 2qkf s TYR 171 Cb 0.00 -2.33 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 2qkf s TYR 171 CO 0.00 0.56 0.00 -0.25 -1.57 0.00 0.00 175.55 174.29 2qkf n ASP 172 N 1.37 -4.64 -3.80 2.29 8.00 -1.26 -4.92 116.55 113.59 2qkf n ASP 172 Ca -0.10 0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 2qkf n ASP 172 Cb 0.52 -3.92 -0.09 0.00 -0.02 0.00 0.00 41.12 37.62 2qkf n ASP 172 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2qkf s ASN 173 N -2.05 -0.08 0.09 -2.24 2.47 -1.26 -4.46 114.94 107.41 2qkf s ASN 173 Ca 0.00 -0.14 0.07 0.00 0.42 0.00 0.00 52.86 53.21 2qkf s ASN 173 Cb 0.00 0.29 -0.03 0.00 -1.45 0.00 0.00 41.25 40.06 2qkf s ASN 173 CO 0.00 -0.49 -0.18 -0.76 -3.72 0.00 0.00 177.10 171.95 2qkf s LEU 174 N -1.67 2.30 0.00 3.21 1.43 -1.25 -1.47 118.68 121.23 2qkf s LEU 174 Ca -0.10 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 2qkf s LEU 174 Cb -0.04 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 2qkf s LEU 174 CO 0.00 -0.00 -0.11 -0.69 0.23 0.00 0.00 176.35 175.78 2qkf s VAL 175 N -1.25 0.87 -0.36 -1.59 1.01 -0.01 -4.88 120.40 114.19 2qkf s VAL 175 Ca 0.03 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2qkf s VAL 175 Cb -0.10 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 2qkf s VAL 175 CO 0.03 0.17 0.41 -0.69 0.00 0.00 0.00 175.10 175.02 2qkf s VAL 176 N -0.41 5.11 -0.57 2.92 1.01 -1.26 -0.29 120.40 126.92 2qkf s VAL 176 Ca 0.03 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 2qkf s VAL 176 Cb -0.05 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2qkf s VAL 176 CO -0.00 -0.18 1.18 -0.62 0.00 0.00 0.00 175.10 175.47 2qkf s ASP 177 N 1.75 6.46 0.59 3.32 2.15 -1.26 -4.89 116.67 124.80 2qkf s ASP 177 Ca 0.14 0.12 0.37 0.00 0.43 0.00 0.00 52.55 53.61 2qkf s ASP 177 Cb -0.16 -2.55 1.82 0.00 -0.30 0.00 0.00 42.92 41.73 2qkf s ASP 177 CO 0.12 -1.45 2.16 0.24 -0.17 0.00 0.00 175.17 176.08 2qkf h MET 178 N 9.50 0.00 0.00 4.34 2.86 -1.98 0.05 114.93 129.70 2qkf h MET 178 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2qkf h MET 178 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2qkf h MET 178 CO 1.18 0.02 0.00 -0.07 1.06 0.00 0.00 176.91 179.10 2qkf h LEU 179 N 0.00 0.00 -1.05 1.22 3.38 -2.02 -3.32 115.31 113.52 2qkf h LEU 179 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2qkf h LEU 179 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2qkf h LEU 179 CO 0.00 0.00 -0.33 1.23 0.09 0.00 0.00 178.44 179.43 2qkf h GLY 180 N 3.46 0.28 0.40 0.83 0.00 -1.38 -2.81 103.07 103.85 2qkf h GLY 180 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.15 2qkf h GLY 180 CO 0.00 0.22 -0.13 0.74 0.00 0.00 0.00 176.54 177.36 2qkf h PHE 181 N 0.22 -0.33 -0.55 5.60 -1.00 -1.71 -0.74 116.94 118.43 2qkf h PHE 181 Ca 0.03 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 2qkf h PHE 181 Cb 0.70 0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.41 2qkf h PHE 181 CO 0.01 -0.20 0.09 0.78 -1.61 0.00 0.00 178.31 177.38 2qkf h GLY 182 N -0.12 0.94 0.99 -1.45 0.00 -1.75 -1.28 103.07 100.40 2qkf h GLY 182 Ca 0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2qkf h GLY 182 CO -0.29 0.55 0.30 -2.08 0.00 0.00 0.00 176.54 175.02 2qkf h VAL 183 N 0.83 1.18 -0.51 4.60 2.07 -1.23 -1.13 116.25 122.06 2qkf h VAL 183 Ca 0.17 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2qkf h VAL 183 Cb 0.37 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2qkf h VAL 183 CO 0.01 0.19 0.01 0.24 0.02 0.00 0.00 177.57 178.04 2qkf h MET 184 N 0.72 0.90 -0.13 1.57 2.86 -0.87 -0.97 114.93 119.00 2qkf h MET 184 Ca 0.19 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2qkf h MET 184 Cb 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2qkf h MET 184 CO -0.03 0.92 0.05 0.87 1.06 0.00 0.00 176.91 179.77 2qkf h LYS 185 N 0.76 0.11 -0.48 1.72 1.57 -1.05 -1.11 116.57 118.09 2qkf h LYS 185 Ca 0.15 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 2qkf h LYS 185 Cb 0.50 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 2qkf h LYS 185 CO 0.02 0.07 -0.07 1.96 -0.57 0.00 0.00 179.45 180.87 2qkf h GLN 186 N 0.11 0.86 0.00 3.15 4.20 -1.02 0.05 115.11 122.46 2qkf h GLN 186 Ca 0.05 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2qkf h GLN 186 Cb 0.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2qkf h GLN 186 CO -0.05 0.90 -1.19 0.25 -0.67 0.00 0.00 178.83 178.07 2qkf n THR 187 N -4.17 0.09 -1.66 -0.54 -2.24 -0.39 -4.37 114.28 101.00 2qkf n THR 187 Ca 0.02 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.55 2qkf n THR 187 Cb 0.36 0.39 0.16 0.00 -2.10 0.00 0.00 70.33 69.14 2qkf n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qkf n GLY 189 N -1.03 -0.20 3.45 0.00 0.00 -1.22 -3.02 105.19 103.17 2qkf n GLY 189 Ca 0.28 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2qkf n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qkf n ASN 190 N -0.86 -4.30 -4.71 1.61 5.15 0.00 -3.98 115.26 108.18 2qkf n ASN 190 Ca -0.14 -0.47 -0.34 0.00 -0.60 0.00 0.00 54.58 53.02 2qkf n ASN 190 Cb 0.62 -3.51 0.10 0.00 -0.53 0.00 0.00 39.78 36.46 2qkf n ASN 190 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qkf s LEU 191 N -6.71 3.28 0.15 1.20 1.43 -1.17 -0.55 118.68 116.33 2qkf s LEU 191 Ca 0.45 2.41 -0.33 0.00 -1.03 0.00 0.00 54.13 55.63 2qkf s LEU 191 Cb -0.23 -4.59 -0.13 0.00 0.03 0.00 0.00 46.19 41.27 2qkf s LEU 191 CO 0.56 -2.41 1.67 -2.65 0.23 0.00 0.00 176.35 173.75 2qkf n PRO 192 N -2.84 2.41 -4.51 1.29 -0.02 -1.25 -4.83 135.00 125.24 2qkf n PRO 192 Ca 0.14 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 2qkf n PRO 192 Cb 0.50 -2.68 -0.13 0.00 -0.02 0.00 0.00 33.50 31.16 2qkf n PRO 192 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qkf s VAL 193 N 1.39 3.43 0.32 -1.45 1.01 -1.26 -0.44 120.40 123.40 2qkf s VAL 193 Ca 0.79 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.32 2qkf s VAL 193 Cb -0.61 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 2qkf s VAL 193 CO 0.37 0.50 -0.05 0.27 0.00 0.00 0.00 175.10 176.19 2qkf s ILE 194 N 0.50 1.81 -0.21 2.22 -4.36 0.63 -0.95 121.20 120.85 2qkf s ILE 194 Ca -0.06 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.22 2qkf s ILE 194 Cb -0.15 -2.62 0.05 0.00 1.25 0.00 0.00 42.46 40.99 2qkf s ILE 194 CO 0.03 -0.20 -0.08 0.12 0.24 0.00 0.00 174.94 175.06 2qkf s PHE 195 N -2.89 2.32 -0.90 1.37 5.36 -0.82 -1.07 117.98 121.34 2qkf s PHE 195 Ca 0.32 -1.60 -0.23 0.00 -0.96 0.00 0.00 56.93 54.46 2qkf s PHE 195 Cb 0.05 -1.57 0.06 0.00 -0.34 0.00 0.00 43.02 41.21 2qkf s PHE 195 CO 0.14 -0.74 1.31 0.34 -1.46 0.00 0.00 175.22 174.81 2qkf s ASP 196 N 1.42 6.41 0.19 6.13 -1.08 0.46 -0.51 116.67 129.69 2qkf s ASP 196 Ca -0.03 -1.27 0.01 0.00 -0.52 0.00 0.00 52.55 50.74 2qkf s ASP 196 Cb -0.17 -2.52 0.08 0.00 -1.46 0.00 0.00 42.92 38.84 2qkf s ASP 196 CO -0.07 -1.50 1.44 1.62 0.52 0.00 0.00 175.17 177.17 2qkf h VAL 197 N 6.38 1.42 -0.17 1.11 3.04 -1.71 -2.92 116.25 123.40 2qkf h VAL 197 Ca 0.03 -2.26 0.00 0.00 -1.01 0.00 0.00 66.70 63.47 2qkf h VAL 197 Cb 1.03 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 32.51 2qkf h VAL 197 CO 1.32 0.67 0.11 0.74 -1.01 0.00 0.00 177.57 179.40 2qkf h THR 198 N 0.20 1.05 0.00 3.17 2.02 -1.90 -2.85 112.91 114.60 2qkf h THR 198 Ca -0.03 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2qkf h THR 198 Cb 1.33 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2qkf h THR 198 CO 0.12 0.05 -0.30 0.45 0.37 0.00 0.00 175.52 176.21 2qkf h HIS 199 N 0.23 0.00 0.00 3.16 3.86 -1.88 -3.05 115.15 117.46 2qkf h HIS 199 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2qkf h HIS 199 Cb -0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2qkf h HIS 199 CO -0.06 0.21 -0.05 0.77 0.86 0.00 0.00 177.93 179.66 2qkf h SER 200 N 0.00 0.00 0.90 2.45 0.02 -1.30 -2.80 113.55 112.82 2qkf h SER 200 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2qkf h SER 200 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2qkf h SER 200 CO 0.03 0.05 -0.33 0.18 -1.14 0.00 0.00 176.83 175.62 2qkf n LEU 201 N -3.57 0.50 -4.76 5.07 4.77 -1.11 -4.76 117.00 113.13 2qkf n LEU 201 Ca -0.02 0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 2qkf n LEU 201 Cb 0.16 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2qkf n LEU 201 CO 0.27 -0.01 1.20 0.00 -1.33 0.00 0.00 177.39 177.52 2qkf n GLN 202 N -1.82 2.69 0.02 3.23 6.02 -1.06 -4.97 117.38 121.49 2qkf n GLN 202 Ca 0.05 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.99 2qkf n GLN 202 Cb 0.38 -2.71 0.00 0.00 1.02 0.00 0.00 30.24 28.93 2qkf n GLN 202 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2qkf n THR 203 N 1.41 0.00 0.00 5.09 5.66 -1.26 -3.78 114.28 121.40 2qkf n THR 203 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 2qkf n THR 203 Cb 0.38 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 2qkf n THR 203 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qkf n ALA 216 N -2.42 0.00 0.20 1.79 0.00 -1.26 -4.97 120.51 113.86 2qkf n ALA 216 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qkf n ALA 216 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 2qkf n ALA 216 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qkf h GLN 217 N 0.00 0.00 -0.87 0.00 4.20 -2.05 -3.06 115.11 113.33 2qkf h GLN 217 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2qkf h GLN 217 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2qkf h GLN 217 CO 0.00 0.31 0.46 0.00 -0.67 0.00 0.00 178.83 178.93 2qkf h ALA 218 N 1.69 1.12 -0.18 3.87 0.00 -1.99 -1.22 119.26 122.55 2qkf h ALA 218 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2qkf h ALA 218 Cb 0.82 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2qkf h ALA 218 CO 0.04 0.64 -0.05 1.25 0.00 0.00 0.00 179.25 181.13 2qkf h LEU 219 N 1.22 0.36 -0.62 0.00 5.85 -1.97 -1.31 115.31 118.84 2qkf h LEU 219 Ca 0.30 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 2qkf h LEU 219 Cb 0.05 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2qkf h LEU 219 CO -0.05 0.65 0.35 0.44 -0.34 0.00 0.00 178.44 179.49 2qkf h ASP 220 N 0.07 0.77 -0.42 1.25 3.32 -1.49 0.50 116.42 120.41 2qkf h ASP 220 Ca 0.05 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2qkf h ASP 220 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2qkf h ASP 220 CO 0.02 0.63 -0.10 0.25 -1.72 0.00 0.00 179.24 178.31 2qkf h LEU 221 N 0.84 0.82 -0.32 1.55 5.85 -1.22 -1.46 115.31 121.37 2qkf h LEU 221 Ca 0.22 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 2qkf h LEU 221 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2qkf h LEU 221 CO -0.04 1.00 0.18 0.00 -0.34 0.00 0.00 178.44 179.24 2qkf h ALA 222 N 0.85 0.41 -0.48 1.25 0.00 -0.93 -1.85 119.26 118.51 2qkf h ALA 222 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qkf h ALA 222 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2qkf h ALA 222 CO 0.04 -0.07 0.30 -0.07 0.00 0.00 0.00 179.25 179.45 2qkf h LEU 223 N 0.40 0.57 -0.33 0.00 3.38 -0.80 -1.01 115.31 117.53 2qkf h LEU 223 Ca 0.11 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2qkf h LEU 223 Cb 0.04 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2qkf h LEU 223 CO -0.02 0.45 0.12 0.00 0.09 0.00 0.00 178.44 179.09 2qkf h ALA 224 N 1.15 0.39 -0.29 1.53 0.00 -1.07 -0.67 119.26 120.30 2qkf h ALA 224 Ca 0.17 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qkf h ALA 224 Cb -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qkf h ALA 224 CO -0.03 -0.27 0.10 0.78 0.00 0.00 0.00 179.25 179.82 2qkf h GLY 225 N 0.27 0.48 2.00 0.00 0.00 -1.12 -2.79 103.07 101.91 2qkf h GLY 225 Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2qkf h GLY 225 CO -0.15 0.26 -0.14 -0.33 0.00 0.00 0.00 176.54 176.18 2qkf h MET 226 N 0.31 0.00 0.00 4.80 2.86 -0.96 -2.11 114.93 119.83 2qkf h MET 226 Ca 0.09 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2qkf h MET 226 Cb 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2qkf h MET 226 CO -0.00 0.14 -0.01 0.00 1.06 0.00 0.00 176.91 178.10 2qkf h ALA 227 N 1.86 1.08 -0.04 6.32 0.00 -0.83 -1.42 119.26 126.22 2qkf h ALA 227 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qkf h ALA 227 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qkf h ALA 227 CO 0.02 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.52 2qkf n THR 228 N -3.20 0.05 -1.44 0.00 -2.24 -0.79 -4.97 114.28 101.69 2qkf n THR 228 Ca -0.03 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2qkf n THR 228 Cb 0.10 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2qkf n THR 228 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qkf n ARG 229 N -0.18 0.00 -4.31 -0.78 0.63 -0.54 -4.91 116.66 106.58 2qkf n ARG 229 Ca 0.19 0.48 -0.23 0.00 -0.92 0.00 0.00 57.85 57.37 2qkf n ARG 229 Cb 0.26 -1.13 -0.12 0.00 0.45 0.00 0.00 32.46 31.92 2qkf n ARG 229 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2qkf s LEU 230 N -0.34 2.36 0.45 6.15 1.43 -1.26 -4.87 118.68 122.59 2qkf s LEU 230 Ca 0.00 -0.76 0.19 0.00 -1.03 0.00 0.00 54.13 52.53 2qkf s LEU 230 Cb 0.00 -0.86 1.06 0.00 0.03 0.00 0.00 46.19 46.41 2qkf s LEU 230 CO 0.00 0.02 1.95 0.00 0.23 0.00 0.00 176.35 178.55 2qkf h ALA 231 N 3.73 1.39 -1.51 4.21 0.00 -1.17 -3.42 119.26 122.49 2qkf h ALA 231 Ca -0.45 -0.21 0.31 0.00 0.00 0.00 0.00 54.91 54.57 2qkf h ALA 231 Cb 1.19 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 2qkf h ALA 231 CO 0.44 0.29 0.80 0.20 0.00 0.00 0.00 179.25 180.98 2qkf s GLY 232 N -4.24 -0.40 -0.05 0.00 0.00 -1.22 -1.55 107.32 99.87 2qkf s GLY 232 Ca -0.03 0.67 0.05 0.00 0.00 0.00 0.00 44.72 45.42 2qkf s GLY 232 CO 0.66 0.12 -0.20 -2.27 0.00 0.00 0.00 173.10 171.41 2qkf s LEU 233 N -2.96 1.98 -0.18 0.66 2.96 -0.45 -1.95 118.68 118.73 2qkf s LEU 233 Ca 0.14 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2qkf s LEU 233 Cb 0.04 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.62 2qkf s LEU 233 CO -0.03 0.19 -0.17 0.12 -1.32 0.00 0.00 176.35 175.14 2qkf s PHE 234 N -0.07 2.81 0.13 5.38 5.36 0.34 -0.51 117.98 131.41 2qkf s PHE 234 Ca -0.03 -1.49 -0.13 0.00 -0.96 0.00 0.00 56.93 54.32 2qkf s PHE 234 Cb -0.12 -1.95 0.02 0.00 -0.34 0.00 0.00 43.02 40.63 2qkf s PHE 234 CO 0.03 -0.74 0.34 -0.48 -1.46 0.00 0.00 175.22 172.90 2qkf s LEU 235 N 1.28 0.74 0.12 6.12 0.05 -0.07 -2.19 118.68 124.73 2qkf s LEU 235 Ca 0.04 -0.51 0.11 0.00 0.05 0.00 0.00 54.13 53.82 2qkf s LEU 235 Cb -0.13 1.55 -0.04 0.00 -2.05 0.00 0.00 46.19 45.52 2qkf s LEU 235 CO -0.10 -0.85 -0.27 -1.61 -0.55 0.00 0.00 176.35 172.97 2qkf s GLU 236 N -3.85 1.46 0.30 1.48 2.02 -1.26 -1.94 118.70 116.90 2qkf s GLU 236 Ca 0.06 -1.31 0.07 0.00 0.02 0.00 0.00 54.97 53.81 2qkf s GLU 236 Cb 0.03 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 32.29 2qkf s GLU 236 CO -0.09 0.46 -0.06 -1.12 0.02 0.00 0.00 175.26 174.47 2qkf s SER 237 N -1.93 2.99 0.08 -0.19 0.01 -0.27 -1.24 113.70 113.15 2qkf s SER 237 Ca 0.13 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.19 2qkf s SER 237 Cb -0.10 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2qkf s SER 237 CO 0.05 -0.33 0.00 0.00 0.41 0.00 0.00 173.24 173.37 2qkf n HIS 238 N -0.65 -0.20 0.00 2.43 1.44 -1.26 -4.64 115.22 112.34 2qkf n HIS 238 Ca -0.05 0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2qkf n HIS 238 Cb 0.64 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.81 2qkf n HIS 238 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qkf n ALA 251 N -3.14 -0.73 -1.96 1.59 0.00 -1.26 -2.31 120.51 112.69 2qkf n ALA 251 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2qkf n ALA 251 Cb 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 2qkf n ALA 251 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qkf s LEU 252 N -2.46 4.53 0.10 0.00 2.96 -0.37 -5.00 118.68 118.44 2qkf s LEU 252 Ca 0.00 2.09 -0.33 0.00 -0.22 0.00 0.00 54.13 55.67 2qkf s LEU 252 Cb 0.00 -3.61 -0.13 0.00 0.50 0.00 0.00 46.19 42.95 2qkf s LEU 252 CO 0.00 -0.13 1.71 -2.65 -1.32 0.00 0.00 176.35 173.96 2qkf n PRO 253 N 1.99 2.33 -0.31 0.98 -0.02 -1.26 -4.26 135.00 134.44 2qkf n PRO 253 Ca 0.01 0.84 0.10 0.00 -2.02 0.00 0.00 63.50 62.44 2qkf n PRO 253 Cb 0.46 -2.66 0.32 0.00 -0.02 0.00 0.00 33.50 31.60 2qkf n PRO 253 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qkf h LEU 254 N 7.28 0.77 -1.84 2.45 5.85 -1.83 -0.30 115.31 127.69 2qkf h LEU 254 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2qkf h LEU 254 Cb 1.25 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2qkf h LEU 254 CO 0.92 0.38 0.00 1.12 -0.34 0.00 0.00 178.44 180.52 2qkf h HIS 255 N 0.81 0.00 -0.01 1.25 2.07 -1.89 -2.04 115.15 115.34 2qkf h HIS 255 Ca 0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.00 2qkf h HIS 255 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 2qkf h HIS 255 CO -0.00 0.00 -0.08 1.28 -3.07 0.00 0.00 177.93 176.06 2qkf n LEU 256 N -3.07 0.64 -0.25 6.12 4.77 -0.13 -4.32 117.00 120.76 2qkf n LEU 256 Ca -0.00 -0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 2qkf n LEU 256 Cb 0.24 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2qkf n LEU 256 CO 0.25 0.11 1.15 0.25 -1.33 0.00 0.00 177.39 177.83 2qkf h LEU 257 N 0.89 0.75 -0.20 2.23 5.85 -1.41 -0.69 115.31 122.73 2qkf h LEU 257 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2qkf h LEU 257 Cb 0.34 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2qkf h LEU 257 CO 0.00 0.53 0.03 -0.08 -0.34 0.00 0.00 178.44 178.57 2qkf h GLU 258 N 0.89 0.34 -0.68 1.25 4.81 -1.81 -0.19 114.58 119.20 2qkf h GLU 258 Ca 0.28 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 2qkf h GLU 258 Cb -0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2qkf h GLU 258 CO -0.10 0.50 0.16 -0.44 -0.73 0.00 0.00 179.01 178.40 2qkf h ASP 259 N 0.13 1.04 0.06 1.04 3.32 -1.82 0.25 116.42 120.43 2qkf h ASP 259 Ca 0.06 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2qkf h ASP 259 Cb 0.33 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qkf h ASP 259 CO 0.01 1.00 -0.05 0.15 -1.72 0.00 0.00 179.24 178.63 2qkf h PHE 260 N 1.02 -0.13 -0.26 4.55 3.57 -0.97 -3.01 116.94 121.72 2qkf h PHE 260 Ca 0.21 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 2qkf h PHE 260 Cb 0.38 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2qkf h PHE 260 CO 0.03 -0.08 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.64 2qkf h LEU 261 N -0.12 0.56 -0.60 0.59 3.38 -0.77 -2.46 115.31 115.89 2qkf h LEU 261 Ca 0.00 -0.22 0.12 0.00 0.09 0.00 0.00 57.88 57.88 2qkf h LEU 261 Cb 0.11 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.61 2qkf h LEU 261 CO -0.01 0.85 0.05 0.40 0.09 0.00 0.00 178.44 179.81 2qkf h ILE 262 N 0.47 0.55 0.42 1.22 2.04 -0.86 0.36 117.51 121.71 2qkf h ILE 262 Ca 0.06 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2qkf h ILE 262 Cb 0.78 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2qkf h ILE 262 CO 0.06 0.03 -0.20 0.03 0.00 0.00 0.00 178.15 178.07 2qkf h ARG 263 N 0.17 -0.54 -0.47 2.37 2.47 -1.36 -1.37 114.38 115.65 2qkf h ARG 263 Ca 0.32 0.04 0.06 0.00 -1.26 0.00 0.00 59.98 59.13 2qkf h ARG 263 Cb 0.50 0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 2qkf h ARG 263 CO -0.48 -0.35 0.18 0.82 0.56 0.00 0.00 179.97 180.71 2qkf h ILE 264 N -0.58 0.87 -0.73 2.04 1.08 -1.06 -1.74 117.51 117.39 2qkf h ILE 264 Ca -0.06 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2qkf h ILE 264 Cb 0.44 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 2qkf h ILE 264 CO 0.09 0.07 0.38 0.50 -0.69 0.00 0.00 178.15 178.50 2qkf h LYS 265 N 0.37 1.03 -0.28 2.37 3.64 -0.89 0.26 116.57 123.06 2qkf h LYS 265 Ca 0.22 -0.13 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2qkf h LYS 265 Cb 0.21 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 2qkf h LYS 265 CO -0.21 0.78 -0.13 0.00 -2.27 0.00 0.00 179.45 177.61 2qkf h ALA 266 N 1.19 0.10 -0.19 5.00 0.00 -0.42 -0.26 119.26 124.67 2qkf h ALA 266 Ca 0.25 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2qkf h ALA 266 Cb 0.06 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2qkf h ALA 266 CO -0.04 -0.53 -0.08 1.25 0.00 0.00 0.00 179.25 179.85 2qkf h LEU 267 N -0.09 0.39 -0.42 0.00 6.46 -1.12 -2.69 115.31 117.84 2qkf h LEU 267 Ca 0.15 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2qkf h LEU 267 Cb 0.31 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 2qkf h LEU 267 CO -0.34 0.70 0.27 -0.78 -0.62 0.00 0.00 178.44 177.68 2qkf h ASP 268 N 0.08 0.47 -0.58 1.25 3.58 -0.78 -1.02 116.42 119.41 2qkf h ASP 268 Ca 0.04 -0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.56 2qkf h ASP 268 Cb 0.55 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 2qkf h ASP 268 CO 0.02 0.34 0.26 0.44 -2.88 0.00 0.00 179.24 177.42 2qkf h ASP 269 N 0.56 0.32 0.54 2.28 3.32 -1.06 0.46 116.42 122.85 2qkf h ASP 269 Ca 0.16 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 2qkf h ASP 269 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2qkf h ASP 269 CO -0.04 0.21 -0.26 0.25 -1.72 0.00 0.00 179.24 177.68 2qkf h LEU 270 N 0.48 -0.62 -0.46 1.55 7.12 -1.11 -1.87 115.31 120.40 2qkf h LEU 270 Ca 0.28 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.31 2qkf h LEU 270 Cb 0.27 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 2qkf h LEU 270 CO -0.24 -0.44 0.28 0.40 -0.13 0.00 0.00 178.44 178.31 2qkf h ILE 271 N -0.73 1.14 0.00 4.05 1.08 -0.97 -2.34 117.51 119.74 2qkf h ILE 271 Ca -0.07 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 2qkf h ILE 271 Cb 0.56 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2qkf h ILE 271 CO 0.12 0.14 -0.09 0.11 -0.69 0.00 0.00 178.15 177.75 2qkf h LYS 272 N 0.61 0.00 0.00 2.37 1.79 -0.92 -2.26 116.57 118.16 2qkf h LYS 272 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2qkf h LYS 272 Cb -0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2qkf h LYS 272 CO -0.03 0.09 -0.01 0.66 -1.08 0.00 0.00 179.45 179.07 2qkf h SER 273 N 0.00 0.00 -3.42 0.86 4.64 -0.77 -3.45 113.55 111.41 2qkf h SER 273 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2qkf h SER 273 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 2qkf h SER 273 CO 0.01 0.01 0.16 -1.10 -0.87 0.00 0.00 176.83 175.05 2qkf s GLN 274 N -3.31 4.49 0.54 4.77 -0.21 -0.85 -5.03 119.66 120.06 2qkf s GLN 274 Ca 0.06 1.06 -0.22 0.00 0.02 0.00 0.00 55.36 56.28 2qkf s GLN 274 Cb 0.06 -3.37 -0.05 0.00 1.00 0.00 0.00 33.01 30.64 2qkf s GLN 274 CO 0.64 0.25 1.31 -1.25 -2.12 0.00 0.00 175.29 174.12 2qkf s PRO 275 N 0.07 3.23 0.48 2.91 0.04 -1.26 -4.96 135.00 135.50 2qkf s PRO 275 Ca 0.39 2.12 -0.21 0.00 0.04 0.00 0.00 61.00 63.34 2qkf s PRO 275 Cb -0.20 -2.25 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 2qkf s PRO 275 CO 0.23 -1.08 1.07 0.42 0.04 0.00 0.00 177.00 177.67 2qkf s ILE 276 N -1.37 3.58 0.00 0.56 1.01 -1.26 -5.15 121.20 118.57 2qkf s ILE 276 Ca 0.71 1.04 0.00 0.00 0.00 0.00 0.00 60.65 62.40 2qkf s ILE 276 Cb -0.38 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2qkf s ILE 276 CO 0.44 -0.16 0.00 0.18 0.00 0.00 0.00 174.94 175.41