#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 6.47 -0.11 6.12 1.01 -1.26 -3.84 116.67 125.05 2qkf s ASP 2 Ca 0.00 0.65 0.03 0.00 0.71 0.00 0.00 52.55 53.95 2qkf s ASP 2 Cb 0.00 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.82 2qkf s ASP 2 CO 0.00 -0.10 -0.23 -0.63 0.21 0.00 0.00 175.17 174.43 2qkf s ILE 3 N -1.91 1.99 -0.16 0.77 1.01 0.53 -4.98 121.20 118.45 2qkf s ILE 3 Ca 0.43 -0.97 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 2qkf s ILE 3 Cb -0.11 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 2qkf s ILE 3 CO 0.27 0.54 0.68 -0.54 0.00 0.00 0.00 174.94 175.89 2qkf s LYS 4 N 0.50 4.29 -0.34 2.79 -0.14 -1.26 -0.28 119.74 125.30 2qkf s LYS 4 Ca -0.15 0.75 0.02 0.00 -1.36 0.00 0.00 55.97 55.23 2qkf s LYS 4 Cb -0.17 -3.54 0.10 0.00 -1.68 0.00 0.00 37.83 32.54 2qkf s LYS 4 CO 0.05 -0.17 0.08 0.42 -0.76 0.00 0.00 175.35 174.97 2qkf s ILE 5 N 1.64 1.80 0.00 2.17 1.01 0.36 -4.98 121.20 123.20 2qkf s ILE 5 Ca 0.32 -2.07 0.00 0.00 0.00 0.00 0.00 60.65 58.90 2qkf s ILE 5 Cb -0.16 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2qkf s ILE 5 CO 0.12 -0.64 0.00 0.59 0.00 0.00 0.00 174.94 175.01 2qkf n ASN 6 N 4.39 0.00 -1.15 3.58 5.03 -1.26 -1.07 115.26 124.78 2qkf n ASN 6 Ca 0.02 0.00 0.11 0.00 0.87 0.00 0.00 54.58 55.59 2qkf n ASN 6 Cb 0.41 0.00 0.26 0.00 -1.02 0.00 0.00 39.78 39.44 2qkf n ASN 6 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qkf n ASP 7 N 7.38 3.39 -4.73 6.41 8.00 -1.26 -4.89 116.55 130.86 2qkf n ASP 7 Ca 0.00 -1.98 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 2qkf n ASP 7 Cb 0.00 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.37 4.98 -0.34 0.53 1.01 -0.24 -5.05 121.20 120.73 2qkf s ILE 8 Ca 0.41 1.44 -0.12 0.00 0.00 0.00 0.00 60.65 62.38 2qkf s ILE 8 Cb 0.23 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2qkf s ILE 8 CO 0.31 0.29 0.22 -0.89 0.00 0.00 0.00 174.94 174.87 2qkf s THR 9 N 0.53 5.06 -0.24 2.92 2.01 -1.26 -0.49 115.64 124.18 2qkf s THR 9 Ca 0.37 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.93 2qkf s THR 9 Cb -0.18 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2qkf s THR 9 CO 0.19 -0.03 0.11 -0.22 -0.69 0.00 0.00 174.62 173.97 2qkf s LEU 10 N 1.68 3.77 -0.11 4.42 2.96 0.61 -4.80 118.68 127.21 2qkf s LEU 10 Ca 0.05 -0.04 -0.33 0.00 -0.22 0.00 0.00 54.13 53.59 2qkf s LEU 10 Cb -0.18 -2.00 0.14 0.00 0.50 0.00 0.00 46.19 44.65 2qkf s LEU 10 CO 0.09 0.03 1.33 -0.83 -1.32 0.00 0.00 176.35 175.65 2qkf s GLY 11 N 1.22 -0.39 0.00 7.98 0.00 -1.26 -0.35 107.32 114.52 2qkf s GLY 11 Ca 0.06 1.10 0.21 0.00 0.00 0.00 0.00 44.72 46.09 2qkf s GLY 11 CO 0.05 0.28 1.66 0.70 0.00 0.00 0.00 173.10 175.79 2qkf n ASN 12 N -0.35 0.00 -0.17 1.64 3.02 -1.26 -1.58 115.26 116.55 2qkf n ASN 12 Ca -0.05 0.37 0.09 0.00 -0.03 0.00 0.00 54.58 54.97 2qkf n ASN 12 Cb 0.61 -0.45 0.15 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.45 2.40 -4.78 6.41 5.15 -1.26 -4.28 115.26 117.45 2qkf n ASN 13 Ca 0.06 -3.16 -0.22 0.00 -0.60 0.00 0.00 54.58 50.66 2qkf n ASN 13 Cb 0.22 -0.45 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 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 -2.85 5.08 0.33 1.20 0.01 -0.62 -5.02 113.70 111.84 2qkf s SER 14 Ca 0.33 -0.51 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 2qkf s SER 14 Cb 0.29 -1.03 -0.12 0.00 0.21 0.00 0.00 66.02 65.37 2qkf s SER 14 CO 0.03 -0.17 1.28 -2.65 0.41 0.00 0.00 173.24 172.13 2qkf n PRO 15 N -1.17 2.08 -1.97 12.44 -0.02 -1.26 -4.82 135.00 140.28 2qkf n PRO 15 Ca -0.05 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.78 2qkf n PRO 15 Cb 0.59 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.05 2.55 -0.16 6.00 -0.12 -1.26 -4.84 117.98 119.09 2qkf s PHE 16 Ca 0.56 1.43 -0.07 0.00 -0.05 0.00 0.00 56.93 58.79 2qkf s PHE 16 Cb -0.58 -3.65 -0.04 0.00 -0.63 0.00 0.00 43.02 38.12 2qkf s PHE 16 CO 0.62 -2.35 0.09 0.08 -0.05 0.00 0.00 175.22 173.61 2qkf s VAL 17 N -1.37 5.04 -0.13 -2.49 1.01 -0.36 -4.23 120.40 117.87 2qkf s VAL 17 Ca 0.67 0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.49 2qkf s VAL 17 Cb -0.36 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2qkf s VAL 17 CO 0.44 0.51 0.57 -0.22 0.00 0.00 0.00 175.10 176.40 2qkf s LEU 18 N -0.07 4.25 -0.29 3.92 2.96 -0.59 -1.38 118.68 127.47 2qkf s LEU 18 Ca 0.08 0.91 -0.05 0.00 -0.22 0.00 0.00 54.13 54.85 2qkf s LEU 18 Cb -0.12 -2.84 0.02 0.00 0.50 0.00 0.00 46.19 43.75 2qkf s LEU 18 CO 0.01 -0.11 0.04 -0.36 -1.32 0.00 0.00 176.35 174.61 2qkf s PHE 19 N 1.04 3.16 -0.08 5.38 0.40 0.25 -0.56 117.98 127.57 2qkf s PHE 19 Ca 0.30 -1.30 -0.19 0.00 -0.60 0.00 0.00 56.93 55.13 2qkf s PHE 19 Cb -0.16 -2.20 0.04 0.00 0.51 0.00 0.00 43.02 41.21 2qkf s PHE 19 CO 0.12 -0.67 0.45 0.20 0.70 0.00 0.00 175.22 176.03 2qkf s GLY 20 N 1.41 -0.32 0.00 4.36 0.00 -0.74 -0.04 107.32 111.99 2qkf s GLY 20 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.64 2qkf s GLY 20 CO 0.01 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.39 2qkf n GLY 21 N 1.73 -0.39 3.37 0.20 0.00 -1.22 -0.91 105.19 107.97 2qkf n GLY 21 Ca -0.18 0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.48 0.02 -0.61 -4.36 -0.24 -3.49 121.20 114.01 2qkf s ILE 22 Ca 0.00 -2.12 -0.16 0.00 -0.26 0.00 0.00 60.65 58.12 2qkf s ILE 22 Cb 0.00 -2.28 -0.09 0.00 1.25 0.00 0.00 42.46 41.34 2qkf s ILE 22 CO 0.00 -0.41 1.08 -1.13 0.24 0.00 0.00 174.94 174.72 2qkf h ASN 23 N 2.43 -0.48 -3.96 4.36 -0.00 -1.92 -3.35 115.58 112.66 2qkf h ASN 23 Ca -0.39 0.02 -0.31 0.00 -0.00 0.00 0.00 56.30 55.62 2qkf h ASN 23 Cb 1.22 0.12 -0.28 0.00 -0.00 0.00 0.00 38.32 39.39 2qkf h ASN 23 CO 0.65 -0.30 -0.75 0.54 -0.00 0.00 0.00 177.43 177.57 2qkf s VAL 24 N -3.96 0.39 0.07 2.57 0.11 -1.26 -2.11 120.40 116.20 2qkf s VAL 24 Ca -0.08 -0.27 -0.31 0.00 -2.93 0.00 0.00 61.98 58.39 2qkf s VAL 24 Cb 0.01 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.45 2qkf s VAL 24 CO 0.25 0.07 1.34 -0.76 -3.33 0.00 0.00 175.10 172.67 2qkf s LEU 25 N -0.22 4.35 -0.08 2.54 1.43 0.18 -4.86 118.68 122.03 2qkf s LEU 25 Ca 0.01 2.18 -0.03 0.00 -1.03 0.00 0.00 54.13 55.26 2qkf s LEU 25 Cb -0.02 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 2qkf s LEU 25 CO -0.00 -0.62 -0.09 -0.62 0.23 0.00 0.00 176.35 175.24 2qkf n GLU 26 N 4.33 0.16 -3.68 1.70 4.71 -1.26 -1.89 120.64 124.70 2qkf n GLU 26 Ca 0.11 0.07 -0.15 0.00 -0.01 0.00 0.00 57.16 57.18 2qkf n GLU 26 Cb 0.44 -0.81 -0.08 0.00 -1.01 0.00 0.00 31.44 29.97 2qkf n GLU 26 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2qkf s SER 27 N -5.56 -0.36 0.28 1.62 1.04 -1.26 -4.71 113.70 104.74 2qkf s SER 27 Ca -0.10 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.70 2qkf s SER 27 Cb 0.04 0.44 0.62 0.00 0.10 0.00 0.00 66.02 67.22 2qkf s SER 27 CO 0.14 -0.47 1.76 0.25 0.98 0.00 0.00 173.24 175.89 2qkf h LEU 28 N 3.74 0.57 0.06 2.42 5.85 -1.98 -2.08 115.31 123.90 2qkf h LEU 28 Ca -0.29 0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.29 2qkf h LEU 28 Cb 1.17 0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.23 2qkf h LEU 28 CO 0.38 0.20 -1.02 0.44 -0.34 0.00 0.00 178.44 178.10 2qkf h ASP 29 N 0.63 0.79 -0.16 1.25 3.32 -1.98 0.50 116.42 120.76 2qkf h ASP 29 Ca 0.51 -0.80 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 2qkf h ASP 29 Cb 0.78 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2qkf h ASP 29 CO -0.39 1.49 -0.17 0.77 -1.72 0.00 0.00 179.24 179.23 2qkf h SER 30 N 0.18 0.56 0.23 6.45 4.64 -1.98 -1.08 113.55 122.54 2qkf h SER 30 Ca -0.15 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2qkf h SER 30 Cb 1.71 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 2qkf h SER 30 CO 0.20 0.74 -0.11 0.74 -0.87 0.00 0.00 176.83 177.53 2qkf h THR 31 N 0.51 0.79 -0.41 2.95 2.02 -1.16 -1.39 112.91 116.22 2qkf h THR 31 Ca 0.09 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 2qkf h THR 31 Cb 0.58 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2qkf h THR 31 CO 0.04 0.02 0.14 -0.07 0.37 0.00 0.00 175.52 176.02 2qkf h LEU 32 N -0.34 0.53 -0.21 2.58 3.38 -0.83 -0.28 115.31 120.14 2qkf h LEU 32 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2qkf h LEU 32 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2qkf h LEU 32 CO 0.05 0.50 0.07 -0.61 0.09 0.00 0.00 178.44 178.53 2qkf h GLN 33 N 0.58 0.33 -0.20 1.13 4.15 -1.07 -0.84 115.11 119.19 2qkf h GLN 33 Ca 0.14 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 2qkf h GLN 33 Cb 0.15 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2qkf h GLN 33 CO -0.01 0.43 -0.09 1.15 -1.93 0.00 0.00 178.83 178.38 2qkf h THR 34 N 0.17 1.30 -0.75 2.39 2.02 -0.95 -2.92 112.91 114.18 2qkf h THR 34 Ca 0.07 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 2qkf h THR 34 Cb 0.24 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2qkf h THR 34 CO -0.00 0.34 0.39 0.00 0.37 0.00 0.00 175.52 176.62 2qkf h ALA 36 N 1.38 0.97 -0.10 0.00 0.00 -1.11 -0.55 119.26 119.84 2qkf h ALA 36 Ca 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qkf h ALA 36 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qkf h ALA 36 CO -0.04 0.07 0.05 1.25 0.00 0.00 0.00 179.25 180.59 2qkf h HIS 37 N 0.72 0.14 -0.47 0.00 6.17 -1.23 -0.48 115.15 120.01 2qkf h HIS 37 Ca 0.33 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 2qkf h HIS 37 Cb 0.23 -0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.09 2qkf h HIS 37 CO -0.07 0.19 0.26 1.88 0.71 0.00 0.00 177.93 180.90 2qkf h TYR 38 N 0.06 0.64 -0.39 5.26 -1.99 -1.28 -1.26 116.97 118.01 2qkf h TYR 38 Ca 0.04 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.77 2qkf h TYR 38 Cb 0.10 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.59 2qkf h TYR 38 CO -0.04 0.47 0.23 0.28 -0.00 0.00 0.00 178.16 179.10 2qkf h VAL 39 N 0.62 1.04 -0.14 -2.88 2.07 -1.00 0.34 116.25 116.30 2qkf h VAL 39 Ca 0.17 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2qkf h VAL 39 Cb 0.04 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2qkf h VAL 39 CO -0.03 0.08 0.06 -0.08 0.02 0.00 0.00 177.57 177.63 2qkf h GLU 40 N 0.46 0.20 -0.05 1.57 4.22 -0.92 -0.36 114.58 119.70 2qkf h GLU 40 Ca 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 2qkf h GLU 40 Cb 0.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qkf h GLU 40 CO -0.08 0.28 0.00 0.28 -2.18 0.00 0.00 179.01 177.32 2qkf h VAL 41 N 0.08 1.23 -0.62 0.32 2.07 -1.09 -2.57 116.25 115.66 2qkf h VAL 41 Ca 0.05 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.78 2qkf h VAL 41 Cb 0.15 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2qkf h VAL 41 CO -0.00 0.19 0.02 0.71 0.02 0.00 0.00 177.57 178.51 2qkf h THR 42 N -0.19 1.26 -0.03 2.57 1.35 -0.95 -2.27 112.91 114.65 2qkf h THR 42 Ca 0.01 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 2qkf h THR 42 Cb 0.30 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2qkf h THR 42 CO 0.00 0.41 0.02 -0.09 -0.25 0.00 0.00 175.52 175.61 2qkf h ARG 43 N 0.98 0.04 0.00 4.72 2.43 -1.07 0.05 114.38 121.54 2qkf h ARG 43 Ca 0.18 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2qkf h ARG 43 Cb 0.53 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2qkf h ARG 43 CO 0.03 0.04 0.00 1.57 -1.51 0.00 0.00 179.97 180.10 2qkf h LYS 44 N 0.02 0.00 -0.01 0.20 2.10 -1.34 -2.13 116.57 115.42 2qkf h LYS 44 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2qkf h LYS 44 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 2qkf h LYS 44 CO -0.00 0.00 -0.55 1.28 -2.00 0.00 0.00 179.45 178.18 2qkf n LEU 45 N -2.89 1.05 -1.30 7.07 4.77 -0.86 -4.99 117.00 119.85 2qkf n LEU 45 Ca 0.01 -0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 55.57 2qkf n LEU 45 Cb 0.30 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 2qkf n LEU 45 CO 0.26 0.22 -0.01 0.61 -1.33 0.00 0.00 177.39 177.14 2qkf n GLY 46 N 1.44 0.20 3.44 -0.72 0.00 -0.16 -5.05 105.19 104.34 2qkf n GLY 46 Ca 0.08 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.75 3.89 0.51 -0.61 1.01 -0.25 -5.03 121.20 117.97 2qkf s ILE 47 Ca 0.11 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.20 2qkf s ILE 47 Cb -0.05 -2.75 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 2qkf s ILE 47 CO 0.14 0.43 1.36 -2.84 0.00 0.00 0.00 174.94 174.03 2qkf s PRO 48 N 0.98 3.34 -0.02 2.79 0.02 -1.26 -4.50 135.00 136.35 2qkf s PRO 48 Ca 0.01 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.28 2qkf s PRO 48 Cb -0.14 -2.39 0.03 0.00 0.02 0.00 0.00 34.50 32.02 2qkf s PRO 48 CO 0.02 -1.03 0.04 -0.47 -0.33 0.00 0.00 177.00 175.22 2qkf s TYR 49 N -1.29 0.01 -0.13 6.54 5.04 -1.26 -1.54 117.35 124.72 2qkf s TYR 49 Ca 0.68 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 55.48 2qkf s TYR 49 Cb -0.41 -0.22 0.01 0.00 0.35 0.00 0.00 41.96 41.70 2qkf s TYR 49 CO 0.49 -0.09 -0.19 0.42 -1.34 0.00 0.00 175.55 174.84 2qkf s ILE 50 N 1.04 1.80 -0.01 3.14 1.01 0.28 -4.37 121.20 124.09 2qkf s ILE 50 Ca -0.09 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 2qkf s ILE 50 Cb -0.12 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 2qkf s ILE 50 CO -0.03 0.50 0.84 0.12 0.00 0.00 0.00 174.94 176.37 2qkf s PHE 51 N 0.92 3.65 -0.04 3.97 5.36 -0.79 -1.79 117.98 129.26 2qkf s PHE 51 Ca -0.06 1.50 0.05 0.00 -0.96 0.00 0.00 56.93 57.45 2qkf s PHE 51 Cb -0.15 -2.95 -0.03 0.00 -0.34 0.00 0.00 43.02 39.55 2qkf s PHE 51 CO -0.02 0.08 -0.17 0.21 -1.46 0.00 0.00 175.22 173.86 2qkf s LYS 52 N 0.73 2.41 -0.08 10.12 2.36 -0.09 -1.11 119.74 134.08 2qkf s LYS 52 Ca 0.44 -0.75 -0.30 0.00 -2.55 0.00 0.00 55.97 52.81 2qkf s LYS 52 Cb -0.20 -2.31 0.10 0.00 -1.05 0.00 0.00 37.83 34.37 2qkf s LYS 52 CO 0.24 0.61 0.85 0.00 1.55 0.00 0.00 175.35 178.59 2qkf s ALA 53 N -0.72 -1.84 -0.15 3.13 0.00 -0.99 -1.07 121.76 120.11 2qkf s ALA 53 Ca 0.11 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 2qkf s ALA 53 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2qkf s ALA 53 CO 0.00 -0.40 0.14 -1.12 0.00 0.00 0.00 175.76 174.38 2qkf s SER 54 N -1.39 6.32 0.28 0.00 0.01 -0.90 -4.24 113.70 113.78 2qkf s SER 54 Ca -0.04 0.37 0.25 0.00 1.31 0.00 0.00 55.95 57.84 2qkf s SER 54 Cb -0.00 -2.08 0.64 0.00 0.21 0.00 0.00 66.02 64.78 2qkf s SER 54 CO 0.03 0.31 1.70 2.19 0.41 0.00 0.00 173.24 177.88 2qkf h PHE 55 N 5.73 0.00 -3.67 2.43 -5.15 -1.88 0.52 116.94 114.92 2qkf h PHE 55 Ca -0.49 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.08 2qkf h PHE 55 Cb 1.19 0.00 -0.26 0.00 0.22 0.00 0.00 35.95 37.10 2qkf h PHE 55 CO 0.68 0.00 -0.66 0.34 -2.00 0.00 0.00 178.31 176.67 2qkf s ASP 56 N -5.07 -0.00 -0.52 -0.68 2.15 -1.26 -0.64 116.67 110.64 2qkf s ASP 56 Ca 0.09 -0.01 -0.18 0.00 0.43 0.00 0.00 52.55 52.88 2qkf s ASP 56 Cb 0.10 0.10 0.08 0.00 -0.30 0.00 0.00 42.92 42.90 2qkf s ASP 56 CO 0.63 -0.08 0.57 -0.75 -0.17 0.00 0.00 175.17 175.37 2qkf s LYS 57 N -0.27 3.05 0.10 4.34 2.36 0.49 -4.95 119.74 124.87 2qkf s LYS 57 Ca -0.03 -1.22 -0.10 0.00 -2.55 0.00 0.00 55.97 52.07 2qkf s LYS 57 Cb -0.02 -4.18 -0.15 0.00 -1.05 0.00 0.00 37.83 32.43 2qkf s LYS 57 CO -0.00 -1.27 1.27 0.00 1.55 0.00 0.00 175.35 176.90 2qkf h ALA 58 N 8.97 0.27 -2.70 3.13 0.00 -2.00 -3.39 119.26 123.54 2qkf h ALA 58 Ca -0.29 -0.68 -0.72 0.00 0.00 0.00 0.00 54.91 53.23 2qkf h ALA 58 Cb 1.10 0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 2qkf h ALA 58 CO 0.99 0.73 -0.46 1.21 0.00 0.00 0.00 179.25 181.72 2qkf s ASN 59 N -7.17 5.78 0.04 0.00 2.47 -1.26 -5.08 114.94 109.72 2qkf s ASN 59 Ca -0.08 -1.28 0.04 0.00 0.42 0.00 0.00 52.86 51.96 2qkf s ASN 59 Cb 0.08 -2.04 -0.04 0.00 -1.45 0.00 0.00 41.25 37.80 2qkf s ASN 59 CO 0.90 -0.50 -0.06 -0.13 -3.72 0.00 0.00 177.10 173.59 2qkf s ARG 60 N 1.52 2.46 0.11 0.43 0.52 -1.26 -5.03 118.95 117.69 2qkf s ARG 60 Ca 0.03 -0.81 -0.24 0.00 -0.52 0.00 0.00 55.73 54.19 2qkf s ARG 60 Cb -0.22 -2.47 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 2qkf s ARG 60 CO 0.05 0.57 1.69 0.66 0.02 0.00 0.00 175.30 178.28 2qkf h SER 61 N 4.08 -0.34 -2.06 0.23 4.64 -1.97 -3.43 113.55 114.71 2qkf h SER 61 Ca -0.48 0.05 -0.57 0.00 -0.47 0.00 0.00 61.79 60.31 2qkf h SER 61 Cb 1.17 0.14 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 2qkf h SER 61 CO 0.55 -0.17 -0.64 -0.55 -0.87 0.00 0.00 176.83 175.15 2qkf s SER 62 N -5.02 4.29 0.44 4.97 0.15 -1.26 -5.01 113.70 112.25 2qkf s SER 62 Ca -0.14 -0.85 0.30 0.00 0.70 0.00 0.00 55.95 55.96 2qkf s SER 62 Cb 0.08 -0.64 1.28 0.00 -1.71 0.00 0.00 66.02 65.03 2qkf s SER 62 CO 0.66 -0.12 1.89 0.16 1.20 0.00 0.00 173.24 177.04 2qkf h ILE 63 N 1.87 0.00 0.00 6.45 3.07 -2.04 -2.87 117.51 123.98 2qkf h ILE 63 Ca -0.43 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 65.62 2qkf h ILE 63 Cb 1.25 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.04 2qkf h ILE 63 CO 0.63 0.00 -1.28 1.41 -1.05 0.00 0.00 178.15 177.86 2qkf n HIS 64 N -2.74 0.45 -1.17 0.16 8.25 -1.26 -5.02 115.22 113.90 2qkf n HIS 64 Ca 0.01 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.24 2qkf n HIS 64 Cb 0.25 -0.64 0.08 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.30 -1.59 0.00 0.41 7.64 -1.09 -4.90 113.62 111.79 2qkf n SER 65 Ca -0.00 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2qkf n SER 65 Cb 0.51 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 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 -2.58 0.00 0.00 1.43 9.36 -1.26 -4.92 117.16 119.19 2qkf n TYR 66 Ca 0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.31 2qkf n TYR 66 Cb 0.51 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 2qkf n TYR 66 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2qkf n ARG 67 N -1.24 0.00 0.00 2.98 0.63 -1.26 -5.01 116.66 112.76 2qkf n ARG 67 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qkf n ARG 67 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qkf n ARG 67 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qkf n GLY 68 N 0.00 0.88 0.23 5.14 0.00 -1.26 -0.38 105.19 109.80 2qkf n GLY 68 Ca 0.00 -2.08 0.10 0.00 0.00 0.00 0.00 46.02 44.03 2qkf n GLY 68 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qkf h VAL 69 N 0.00 0.69 0.00 1.61 -1.51 -1.34 -3.48 116.25 112.23 2qkf h VAL 69 Ca 0.00 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 2qkf h VAL 69 Cb 0.00 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 2qkf h VAL 69 CO 0.00 0.22 0.00 0.61 -1.23 0.00 0.00 177.57 177.17 2qkf n GLY 70 N -0.28 -0.73 0.20 5.19 0.00 0.18 -4.46 105.19 105.29 2qkf n GLY 70 Ca -0.01 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.36 -0.13 0.99 6.46 -1.95 0.22 115.31 120.53 2qkf h LEU 71 Ca 0.00 -0.00 0.04 0.00 -0.12 0.00 0.00 57.88 57.80 2qkf h LEU 71 Cb 0.00 0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 39.96 2qkf h LEU 71 CO 0.00 -0.24 -0.46 -0.33 -0.62 0.00 0.00 178.44 176.79 2qkf h GLU 72 N -0.45 -0.50 -0.14 1.25 5.08 -1.98 -0.15 114.58 117.69 2qkf h GLU 72 Ca -0.04 0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 2qkf h GLU 72 Cb 0.34 0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2qkf h GLU 72 CO 0.07 -0.34 -0.80 1.49 -1.00 0.00 0.00 179.01 178.44 2qkf h GLU 73 N -0.52 0.79 -0.66 2.33 4.22 -1.77 -3.01 114.58 115.95 2qkf h GLU 73 Ca 0.06 -0.65 0.14 0.00 0.08 0.00 0.00 59.36 58.99 2qkf h GLU 73 Cb 0.65 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.93 2qkf h GLU 73 CO -0.41 1.26 0.02 0.78 -2.18 0.00 0.00 179.01 178.48 2qkf h GLY 74 N 0.56 0.73 1.54 1.92 0.00 -0.25 -0.26 103.07 107.31 2qkf h GLY 74 Ca -0.06 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2qkf h GLY 74 CO 0.16 -0.22 -0.22 1.41 0.00 0.00 0.00 176.54 177.68 2qkf h LEU 75 N 0.13 0.54 -0.10 3.11 3.38 -1.04 -1.12 115.31 120.22 2qkf h LEU 75 Ca 0.35 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2qkf h LEU 75 Cb 0.58 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2qkf h LEU 75 CO -0.55 0.76 -0.19 0.11 0.09 0.00 0.00 178.44 178.66 2qkf h LYS 76 N 0.48 -0.25 -0.41 1.13 6.56 -1.08 -0.38 116.57 122.62 2qkf h LYS 76 Ca 0.07 0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2qkf h LYS 76 Cb 0.65 0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.34 2qkf h LYS 76 CO 0.05 -0.16 0.26 0.82 -2.06 0.00 0.00 179.45 178.35 2qkf h ILE 77 N -0.25 1.07 -0.93 1.86 2.04 -0.75 -2.16 117.51 118.38 2qkf h ILE 77 Ca 0.09 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qkf h ILE 77 Cb 0.38 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2qkf h ILE 77 CO -0.25 0.10 0.59 -0.26 0.00 0.00 0.00 178.15 178.32 2qkf h PHE 78 N 0.52 1.20 -0.59 1.37 0.05 -1.14 -0.51 116.94 117.84 2qkf h PHE 78 Ca 0.16 0.01 0.07 0.00 3.82 0.00 0.00 57.97 62.03 2qkf h PHE 78 Cb -0.02 -0.40 -0.06 0.00 2.00 0.00 0.00 35.95 37.47 2qkf h PHE 78 CO -0.06 0.78 0.29 0.93 -0.18 0.00 0.00 178.31 180.06 2qkf h GLU 79 N 1.27 0.52 -0.27 1.51 5.08 -0.64 -1.70 114.58 120.35 2qkf h GLU 79 Ca 0.34 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 2qkf h GLU 79 Cb -0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2qkf h GLU 79 CO -0.07 0.34 -0.11 0.87 -1.00 0.00 0.00 179.01 179.04 2qkf h LYS 80 N 0.53 0.55 -0.50 2.33 6.56 -0.94 -1.34 116.57 123.76 2qkf h LYS 80 Ca 0.28 -0.23 0.10 0.00 -1.06 0.00 0.00 60.65 59.73 2qkf h LYS 80 Cb 0.23 -0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 31.79 2qkf h LYS 80 CO -0.21 0.79 -0.02 0.28 -2.06 0.00 0.00 179.45 178.23 2qkf h VAL 81 N 0.29 0.59 -0.56 0.50 2.07 -0.95 0.43 116.25 118.63 2qkf h VAL 81 Ca 0.06 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 2qkf h VAL 81 Cb 0.61 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2qkf h VAL 81 CO 0.04 0.02 -0.02 0.11 0.02 0.00 0.00 177.57 177.73 2qkf h LYS 82 N 0.10 1.01 0.11 1.57 1.57 -1.20 -0.37 116.57 119.35 2qkf h LYS 82 Ca 0.25 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2qkf h LYS 82 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2qkf h LYS 82 CO -0.43 1.02 -0.05 0.00 -0.57 0.00 0.00 179.45 179.41 2qkf h ALA 83 N 0.96 -0.14 -0.33 3.86 0.00 -0.68 0.15 119.26 123.07 2qkf h ALA 83 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2qkf h ALA 83 Cb 0.58 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2qkf h ALA 83 CO 0.03 -0.48 0.11 1.49 0.00 0.00 0.00 179.25 180.40 2qkf h GLU 84 N -0.35 0.51 0.00 0.00 4.81 -0.05 -3.36 114.58 116.14 2qkf h GLU 84 Ca -0.01 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2qkf h GLU 84 Cb 0.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2qkf h GLU 84 CO 0.02 0.54 -1.66 1.19 -0.73 0.00 0.00 179.01 178.37 2qkf n PHE 85 N -4.67 0.00 -2.43 0.92 3.01 -0.16 -5.00 117.46 109.12 2qkf n PHE 85 Ca -0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.32 2qkf n PHE 85 Cb 0.16 -0.34 0.01 0.00 -0.01 0.00 0.00 39.48 39.30 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 1.59 -0.08 3.65 1.37 0.00 0.52 -5.02 105.19 107.22 2qkf n GLY 86 Ca -0.03 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.73 3.61 0.76 -0.61 -4.36 -1.26 -5.08 121.20 111.53 2qkf s ILE 87 Ca 0.07 -1.61 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 2qkf s ILE 87 Cb -0.03 -2.86 0.05 0.00 1.25 0.00 0.00 42.46 40.87 2qkf s ILE 87 CO 0.09 -0.21 1.08 -2.84 0.24 0.00 0.00 174.94 173.31 2qkf s PRO 88 N -3.22 2.37 0.16 0.37 0.02 -1.26 -4.64 135.00 128.81 2qkf s PRO 88 Ca 0.29 0.75 0.04 0.00 0.02 0.00 0.00 61.00 62.10 2qkf s PRO 88 Cb -0.08 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 2qkf s PRO 88 CO 0.19 -1.44 -0.08 0.14 -0.33 0.00 0.00 177.00 175.47 2qkf s VAL 89 N -3.12 1.13 -0.01 3.83 -7.23 -1.26 -1.89 120.40 111.86 2qkf s VAL 89 Ca 0.60 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2qkf s VAL 89 Cb -0.14 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 34.86 2qkf s VAL 89 CO 0.54 -0.66 -0.00 -0.51 -0.31 0.00 0.00 175.10 174.16 2qkf s ILE 90 N -3.35 0.07 0.05 -0.62 2.07 -0.27 -1.56 121.20 117.60 2qkf s ILE 90 Ca 0.19 0.03 -0.06 0.00 -1.41 0.00 0.00 60.65 59.40 2qkf s ILE 90 Cb 0.03 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.50 2qkf s ILE 90 CO 0.02 0.06 0.11 0.28 -1.91 0.00 0.00 174.94 173.49 2qkf s THR 91 N 0.37 0.15 0.32 4.00 -1.32 -1.00 -2.34 115.64 115.82 2qkf s THR 91 Ca -0.03 -1.22 -0.08 0.00 -1.21 0.00 0.00 61.69 59.15 2qkf s THR 91 Cb -0.05 -1.10 -0.06 0.00 -1.51 0.00 0.00 72.50 69.77 2qkf s THR 91 CO -0.01 -0.67 0.64 1.51 -2.21 0.00 0.00 174.62 173.88 2qkf s ASP 92 N -2.43 6.52 0.03 8.08 -4.77 -1.26 -0.60 116.67 122.24 2qkf s ASP 92 Ca -0.01 0.92 0.05 0.00 -3.30 0.00 0.00 52.55 50.22 2qkf s ASP 92 Cb 0.02 -2.23 -0.02 0.00 -1.09 0.00 0.00 42.92 39.60 2qkf s ASP 92 CO -0.07 -0.25 -0.16 0.68 0.70 0.00 0.00 175.17 176.08 2qkf s VAL 93 N -2.13 1.26 0.00 2.11 -7.23 -0.96 -4.79 120.40 108.66 2qkf s VAL 93 Ca 0.48 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2qkf s VAL 93 Cb -0.11 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.73 2qkf s VAL 93 CO 0.28 0.13 0.00 1.41 -0.31 0.00 0.00 175.10 176.61 2qkf n HIS 94 N 2.08 0.00 -4.49 2.82 8.25 -1.26 -4.43 115.22 118.19 2qkf n HIS 94 Ca -0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.07 2qkf n HIS 94 Cb 0.54 0.00 -0.16 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 -1.35 1.23 0.38 -0.41 0.41 -1.26 -5.04 118.70 112.67 2qkf s GLU 95 Ca 0.00 -0.36 0.14 0.00 -0.41 0.00 0.00 54.97 54.34 2qkf s GLU 95 Cb 0.00 -1.10 0.99 0.00 -1.78 0.00 0.00 34.13 32.23 2qkf s GLU 95 CO 0.00 0.11 1.82 -1.35 -0.49 0.00 0.00 175.26 175.35 2qkf h PRO 96 N 6.53 0.50 -0.06 0.39 0.11 -1.91 -1.54 132.00 136.02 2qkf h PRO 96 Ca -0.33 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 2qkf h PRO 96 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2qkf h PRO 96 CO 0.48 0.33 -0.21 1.12 -0.21 0.00 0.00 178.00 179.51 2qkf h HIS 97 N 0.51 0.10 0.00 0.65 2.07 -1.96 -2.32 115.15 114.20 2qkf h HIS 97 Ca 0.51 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 58.01 2qkf h HIS 97 Cb 1.13 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 31.08 2qkf h HIS 97 CO -0.00 0.30 -0.04 1.96 -3.07 0.00 0.00 177.93 177.08 2qkf h GLN 98 N 0.09 0.00 -0.10 5.12 4.20 -1.70 -3.38 115.11 119.33 2qkf h GLN 98 Ca 0.02 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2qkf h GLN 98 Cb 0.43 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2qkf h GLN 98 CO 0.03 0.04 0.05 0.00 -0.67 0.00 0.00 178.83 178.28 2qkf h GLN 100 N 0.11 0.24 -0.89 0.00 5.75 -1.78 -1.36 115.11 117.16 2qkf h GLN 100 Ca 0.04 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2qkf h GLN 100 Cb 0.01 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 2qkf h GLN 100 CO -0.03 0.57 0.52 -1.00 -2.65 0.00 0.00 178.83 176.23 2qkf h PRO 101 N -0.10 1.23 -0.65 -2.39 0.13 -1.79 -2.01 132.00 126.40 2qkf h PRO 101 Ca 0.03 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.96 2qkf h PRO 101 Cb 0.49 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 2qkf h PRO 101 CO 0.02 0.88 0.12 0.28 -0.23 0.00 0.00 178.00 179.06 2qkf h VAL 102 N 1.24 1.26 0.00 1.56 2.07 -1.37 -3.02 116.25 118.00 2qkf h VAL 102 Ca 0.32 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 2qkf h VAL 102 Cb -0.02 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2qkf h VAL 102 CO -0.06 0.38 -0.18 0.00 0.02 0.00 0.00 177.57 177.73 2qkf h ALA 103 N 1.04 1.13 -0.68 1.67 0.00 -0.95 0.31 119.26 121.79 2qkf h ALA 103 Ca 0.20 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qkf h ALA 103 Cb 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 2qkf h ALA 103 CO 0.01 0.23 0.45 0.93 0.00 0.00 0.00 179.25 180.87 2qkf h GLU 104 N 0.00 0.82 0.00 0.00 4.39 -1.23 -3.33 114.58 115.22 2qkf h GLU 104 Ca -0.00 -0.05 -0.42 0.00 0.34 0.00 0.00 59.36 59.23 2qkf h GLU 104 Cb 0.56 -0.18 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2qkf h GLU 104 CO 0.02 0.54 -2.48 0.28 -1.16 0.00 0.00 179.01 176.21 2qkf n VAL 105 N -4.45 1.48 -3.29 3.13 0.31 -0.85 -4.98 118.33 109.68 2qkf n VAL 105 Ca 0.08 -0.47 -0.39 0.00 -0.01 0.00 0.00 64.34 63.55 2qkf n VAL 105 Cb 0.11 -1.63 -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 7.30 0.53 -3.39 0.00 5.19 -1.80 -3.42 116.42 120.83 2qkf h ASP 107 Ca -0.36 -0.04 -0.68 0.00 -0.62 0.00 0.00 57.03 55.34 2qkf h ASP 107 Cb 1.16 -0.13 -0.32 0.00 0.18 0.00 0.00 39.33 40.22 2qkf h ASP 107 CO 0.74 0.41 -0.86 -0.69 -3.12 0.00 0.00 179.24 175.72 2qkf s VAL 108 N -6.06 2.27 -0.10 -1.35 1.01 -0.60 -3.59 120.40 111.98 2qkf s VAL 108 Ca -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 2qkf s VAL 108 Cb 0.11 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2qkf s VAL 108 CO 0.74 0.55 -0.04 0.27 0.00 0.00 0.00 175.10 176.62 2qkf s ILE 109 N 0.30 3.90 -0.13 2.22 -4.36 -0.58 -2.37 121.20 120.18 2qkf s ILE 109 Ca -0.16 -0.39 -0.01 0.00 -0.26 0.00 0.00 60.65 59.83 2qkf s ILE 109 Cb -0.17 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.87 2qkf s ILE 109 CO 0.08 0.57 -0.08 -1.58 0.24 0.00 0.00 174.94 174.17 2qkf s GLN 110 N -0.44 3.38 -0.44 0.37 0.74 0.24 -0.98 119.66 122.53 2qkf s GLN 110 Ca 0.07 -0.59 -0.21 0.00 0.05 0.00 0.00 55.36 54.68 2qkf s GLN 110 Cb -0.12 -2.75 0.02 0.00 1.10 0.00 0.00 33.01 31.27 2qkf s GLN 110 CO 0.02 0.32 0.67 -1.17 -0.55 0.00 0.00 175.29 174.58 2qkf s LEU 111 N 0.12 4.46 0.56 3.68 2.96 0.64 -2.26 118.68 128.84 2qkf s LEU 111 Ca -0.03 -0.30 -0.21 0.00 -0.22 0.00 0.00 54.13 53.37 2qkf s LEU 111 Cb -0.14 -2.77 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 2qkf s LEU 111 CO 0.04 -0.80 1.28 -2.65 -1.32 0.00 0.00 176.35 172.89 2qkf n PRO 112 N 6.34 1.49 -0.18 0.98 -0.02 -1.26 -2.45 135.00 139.91 2qkf n PRO 112 Ca -0.01 0.55 -0.04 0.00 -2.02 0.00 0.00 63.50 61.99 2qkf n PRO 112 Cb 0.48 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.19 0.69 0.00 3.55 0.00 -1.90 -1.43 119.26 121.36 2qkf h ALA 113 Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2qkf h ALA 113 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qkf h ALA 113 CO 0.56 -0.08 0.00 0.27 0.00 0.00 0.00 179.25 179.99 2qkf h PHE 114 N 0.51 0.00 -0.38 0.00 -5.15 -1.90 -2.71 116.94 107.31 2qkf h PHE 114 Ca 0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.01 2qkf h PHE 114 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.33 2qkf h PHE 114 CO -0.11 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.48 2qkf n LEU 115 N -2.75 3.48 0.33 2.10 4.77 -0.58 -4.59 117.00 119.76 2qkf n LEU 115 Ca 0.01 -1.49 0.21 0.00 -0.03 0.00 0.00 56.01 54.72 2qkf n LEU 115 Cb 0.29 -0.24 1.14 0.00 -2.33 0.00 0.00 43.42 42.28 2qkf n LEU 115 CO 0.25 0.74 1.17 0.00 -1.33 0.00 0.00 177.39 178.22 2qkf h ALA 116 N 4.54 1.14 0.00 -1.18 0.00 -1.12 0.16 119.26 122.80 2qkf h ALA 116 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkf h ALA 116 Cb 1.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qkf h ALA 116 CO 0.00 0.00 -0.81 2.89 0.00 0.00 0.00 179.25 181.33 2qkf n ARG 117 N -3.28 0.10 -1.94 0.00 1.85 -1.26 -4.83 116.66 107.30 2qkf n ARG 117 Ca -0.03 -0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.48 2qkf n ARG 117 Cb 0.08 -1.53 -0.04 0.00 -1.05 0.00 0.00 32.46 29.92 2qkf n ARG 117 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2qkf s GLN 118 N -3.07 2.46 0.32 2.89 -1.52 0.54 -4.83 119.66 116.46 2qkf s GLN 118 Ca 0.08 0.51 0.04 0.00 -1.95 0.00 0.00 55.36 54.04 2qkf s GLN 118 Cb 0.16 -4.60 0.55 0.00 -0.22 0.00 0.00 33.01 28.89 2qkf s GLN 118 CO 0.78 -3.08 1.82 1.15 -0.25 0.00 0.00 175.29 175.71 2qkf h THR 119 N 7.15 1.22 -0.50 -0.19 2.02 -1.88 -0.71 112.91 120.03 2qkf h THR 119 Ca -0.16 -0.97 -0.12 0.00 0.77 0.00 0.00 66.41 65.93 2qkf h THR 119 Cb 1.13 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2qkf h THR 119 CO 1.19 0.32 -0.18 0.44 0.37 0.00 0.00 175.52 177.66 2qkf h ASP 120 N 0.45 1.01 -0.22 4.18 3.32 -1.97 -0.54 116.42 122.65 2qkf h ASP 120 Ca 0.09 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 2qkf h ASP 120 Cb 0.46 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2qkf h ASP 120 CO 0.03 1.16 0.03 0.25 -1.72 0.00 0.00 179.24 178.98 2qkf h LEU 121 N 0.87 0.35 -0.57 1.55 5.85 -1.78 -0.22 115.31 121.35 2qkf h LEU 121 Ca 0.12 -0.27 0.11 0.00 0.84 0.00 0.00 57.88 58.68 2qkf h LEU 121 Cb 0.75 -0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2qkf h LEU 121 CO 0.06 0.54 -0.15 0.58 -0.34 0.00 0.00 178.44 179.13 2qkf h VAL 122 N 0.15 0.42 -0.08 1.05 2.07 -1.03 0.20 116.25 119.04 2qkf h VAL 122 Ca 0.06 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 2qkf h VAL 122 Cb 0.34 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2qkf h VAL 122 CO 0.01 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.16 2qkf h VAL 123 N -0.01 1.29 -0.65 2.57 2.07 -0.97 -1.43 116.25 119.13 2qkf h VAL 123 Ca 0.27 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.97 2qkf h VAL 123 Cb 0.42 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 2qkf h VAL 123 CO -0.59 0.26 0.27 0.00 0.02 0.00 0.00 177.57 177.52 2qkf h ALA 124 N 0.68 0.86 -0.27 1.67 0.00 -0.70 -0.42 119.26 121.07 2qkf h ALA 124 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qkf h ALA 124 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qkf h ALA 124 CO 0.01 -0.16 0.08 0.52 0.00 0.00 0.00 179.25 179.70 2qkf h MET 125 N 0.46 0.43 -1.01 0.00 2.86 -0.54 -3.09 114.93 114.04 2qkf h MET 125 Ca 0.33 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.90 2qkf h MET 125 Cb 0.40 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 2qkf h MET 125 CO -0.31 0.50 0.66 0.00 1.06 0.00 0.00 176.91 178.82 2qkf h ALA 126 N 0.91 1.32 -0.20 6.32 0.00 -0.76 -2.64 119.26 124.20 2qkf h ALA 126 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2qkf h ALA 126 Cb 0.25 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qkf h ALA 126 CO -0.00 0.59 0.14 0.87 0.00 0.00 0.00 179.25 180.84 2qkf h LYS 127 N 1.30 0.08 0.00 0.00 1.57 -1.01 -1.59 116.57 116.92 2qkf h LYS 127 Ca 0.39 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 2qkf h LYS 127 Cb -0.04 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2qkf h LYS 127 CO -0.11 0.05 -0.04 1.79 -0.57 0.00 0.00 179.45 180.57 2qkf h THR 128 N 0.08 0.24 0.00 -0.16 1.35 -1.43 -3.46 112.91 109.53 2qkf h THR 128 Ca 0.09 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2qkf h THR 128 Cb 0.26 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2qkf h THR 128 CO -0.01 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2qkf n GLY 129 N -0.75 0.48 3.73 5.82 0.00 -0.60 -5.01 105.19 108.86 2qkf n GLY 129 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.42 3.55 0.27 1.61 -0.87 -1.26 -4.96 114.94 110.86 2qkf s ASN 130 Ca 0.00 1.37 -0.30 0.00 -1.57 0.00 0.00 52.86 52.36 2qkf s ASN 130 Cb 0.00 -2.05 -0.10 0.00 -0.02 0.00 0.00 41.25 39.08 2qkf s ASN 130 CO 0.00 -2.57 1.43 -0.69 -2.57 0.00 0.00 177.10 172.70 2qkf s VAL 131 N -3.01 2.61 -0.10 1.60 1.01 -1.24 -4.76 120.40 116.52 2qkf s VAL 131 Ca 0.63 0.53 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2qkf s VAL 131 Cb -0.17 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2qkf s VAL 131 CO 0.56 0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.84 2qkf s VAL 132 N -0.23 1.94 -0.35 2.92 1.01 -0.08 -1.53 120.40 124.07 2qkf s VAL 132 Ca 0.58 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.46 2qkf s VAL 132 Cb -0.42 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2qkf s VAL 132 CO 0.46 0.53 0.41 0.21 0.00 0.00 0.00 175.10 176.71 2qkf s ASN 133 N 0.48 6.22 -0.42 3.32 2.47 -0.16 -0.26 114.94 126.59 2qkf s ASN 133 Ca -0.16 -0.22 -0.18 0.00 0.42 0.00 0.00 52.86 52.71 2qkf s ASN 133 Cb -0.17 -2.22 0.02 0.00 -1.45 0.00 0.00 41.25 37.43 2qkf s ASN 133 CO 0.06 -0.40 0.51 -0.63 -3.72 0.00 0.00 177.10 172.92 2qkf s ILE 134 N 2.12 5.00 -0.12 -5.21 1.01 0.74 -0.26 121.20 124.48 2qkf s ILE 134 Ca 0.14 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.32 2qkf s ILE 134 Cb -0.16 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 2qkf s ILE 134 CO 0.12 -0.47 1.08 -0.54 0.00 0.00 0.00 174.94 175.13 2qkf s LYS 135 N 2.37 4.36 -0.04 2.79 -0.14 -1.02 -0.31 119.74 127.75 2qkf s LYS 135 Ca 0.16 1.47 -0.30 0.00 -1.36 0.00 0.00 55.97 55.94 2qkf s LYS 135 Cb -0.16 -3.58 -0.04 0.00 -1.68 0.00 0.00 37.83 32.37 2qkf s LYS 135 CO 0.15 -0.43 1.32 0.21 -0.76 0.00 0.00 175.35 175.84 2qkf s LYS 136 N 2.38 4.30 0.53 1.68 2.20 0.57 -4.27 119.74 127.13 2qkf s LYS 136 Ca 0.50 1.83 -0.22 0.00 -0.36 0.00 0.00 55.97 57.71 2qkf s LYS 136 Cb -0.19 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 2qkf s LYS 136 CO 0.16 -0.54 1.36 -2.14 -0.36 0.00 0.00 175.35 173.83 2qkf s PRO 137 N 2.45 3.26 0.16 4.03 0.02 -1.26 -4.48 135.00 139.18 2qkf s PRO 137 Ca 0.60 2.24 0.23 0.00 0.02 0.00 0.00 61.00 64.09 2qkf s PRO 137 Cb -0.28 -2.33 0.89 0.00 0.02 0.00 0.00 34.50 32.80 2qkf s PRO 137 CO 0.24 -1.10 1.69 0.00 -0.33 0.00 0.00 177.00 177.50 2qkf n GLN 138 N -0.87 0.14 0.07 5.54 10.64 -1.26 -1.86 117.38 129.79 2qkf n GLN 138 Ca 0.09 0.30 0.12 0.00 -1.83 0.00 0.00 57.00 55.68 2qkf n GLN 138 Cb 0.45 -1.74 0.07 0.00 -0.86 0.00 0.00 30.24 28.16 2qkf n GLN 138 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 2qkf n PHE 139 N -2.00 0.65 -3.12 2.61 1.16 -1.26 -0.46 117.46 115.03 2qkf n PHE 139 Ca 0.04 0.19 -0.39 0.00 -1.87 0.00 0.00 57.45 55.41 2qkf n PHE 139 Cb 0.27 -0.72 -0.05 0.00 -1.61 0.00 0.00 39.48 37.36 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 -4.60 4.43 0.54 5.98 2.96 -0.77 -5.00 118.68 122.22 2qkf s LEU 140 Ca 0.03 1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 55.00 2qkf s LEU 140 Cb 0.12 -3.04 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 2qkf s LEU 140 CO 0.77 0.07 1.17 -0.94 -1.32 0.00 0.00 176.35 176.09 2qkf s SER 141 N -0.14 5.67 0.36 3.68 1.04 -1.26 -4.85 113.70 118.19 2qkf s SER 141 Ca 0.34 2.28 0.06 0.00 0.48 0.00 0.00 55.95 59.11 2qkf s SER 141 Cb -0.19 -2.59 0.74 0.00 0.10 0.00 0.00 66.02 64.08 2qkf s SER 141 CO 0.19 -1.26 1.94 1.55 0.98 0.00 0.00 173.24 176.64 2qkf h PRO 142 N 1.32 0.74 0.00 4.02 0.13 -1.97 -1.28 132.00 134.96 2qkf h PRO 142 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2qkf h PRO 142 Cb 1.27 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qkf h PRO 142 CO 0.57 0.49 -0.04 0.66 -0.23 0.00 0.00 178.00 179.45 2qkf h SER 143 N 0.76 0.00 0.53 1.44 4.64 -1.92 -2.64 113.55 116.37 2qkf h SER 143 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2qkf h SER 143 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2qkf h SER 143 CO -0.13 0.04 -0.18 0.00 -0.87 0.00 0.00 176.83 175.69 2qkf n GLN 144 N -3.36 0.38 0.12 4.77 1.13 -0.48 -3.33 117.38 116.60 2qkf n GLN 144 Ca -0.02 -0.14 0.09 0.00 -1.94 0.00 0.00 57.00 54.99 2qkf n GLN 144 Cb 0.17 -1.50 0.58 0.00 0.11 0.00 0.00 30.24 29.60 2qkf n GLN 144 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 2qkf h MET 145 N 0.34 0.18 -0.28 -1.09 2.86 -1.53 -2.02 114.93 113.38 2qkf h MET 145 Ca 0.00 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 2qkf h MET 145 Cb 0.43 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2qkf h MET 145 CO 0.00 0.12 0.20 1.57 1.06 0.00 0.00 176.91 179.86 2qkf h LYS 146 N 0.18 0.03 -0.34 1.72 2.10 -1.77 -1.52 116.57 116.97 2qkf h LYS 146 Ca 0.11 -0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.65 2qkf h LYS 146 Cb 0.20 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2qkf h LYS 146 CO -0.02 0.02 -0.23 -0.91 -2.00 0.00 0.00 179.45 176.31 2qkf h ASN 147 N 0.03 0.68 -0.10 7.07 2.35 -1.61 -0.89 115.58 123.10 2qkf h ASN 147 Ca 0.13 -0.24 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 2qkf h ASN 147 Cb 0.50 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.70 2qkf h ASN 147 CO -0.01 0.89 -0.73 0.40 -1.65 0.00 0.00 177.43 176.34 2qkf h ILE 148 N 0.59 1.32 -0.76 2.81 2.04 -1.43 -3.02 117.51 119.05 2qkf h ILE 148 Ca 0.08 -1.98 0.02 0.00 1.00 0.00 0.00 64.86 63.98 2qkf h ILE 148 Cb 0.70 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 2qkf h ILE 148 CO 0.05 0.61 0.49 0.58 0.00 0.00 0.00 178.15 179.89 2qkf h VAL 149 N 0.34 1.16 -0.81 1.67 2.07 -1.27 -2.62 116.25 116.79 2qkf h VAL 149 Ca -0.06 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2qkf h VAL 149 Cb 1.37 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 2qkf h VAL 149 CO 0.15 0.18 0.50 -0.08 0.02 0.00 0.00 177.57 178.34 2qkf h GLU 150 N 0.99 0.92 -0.41 1.57 4.22 -1.17 -0.10 114.58 120.59 2qkf h GLU 150 Ca 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.64 2qkf h GLU 150 Cb -0.06 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 2qkf h GLU 150 CO -0.08 0.61 0.13 0.87 -2.18 0.00 0.00 179.01 178.36 2qkf h LYS 151 N 0.94 0.63 -0.74 1.92 1.57 -1.35 0.15 116.57 119.70 2qkf h LYS 151 Ca 0.34 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2qkf h LYS 151 Cb 0.11 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 2qkf h LYS 151 CO -0.15 0.62 0.39 0.74 -0.57 0.00 0.00 179.45 180.48 2qkf h PHE 152 N 0.52 1.04 -0.30 -1.35 -1.00 -1.12 -0.47 116.94 114.26 2qkf h PHE 152 Ca 0.13 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 2qkf h PHE 152 Cb 0.25 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2qkf h PHE 152 CO 0.01 0.74 0.13 0.45 -1.61 0.00 0.00 178.31 178.03 2qkf h HIS 153 N 1.03 0.45 -0.50 -0.55 3.86 -0.67 0.48 115.15 119.25 2qkf h HIS 153 Ca 0.26 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2qkf h HIS 153 Cb 0.07 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2qkf h HIS 153 CO 0.00 0.43 0.31 1.49 0.86 0.00 0.00 177.93 181.02 2qkf h GLU 154 N 0.34 0.67 -0.00 2.45 4.57 -0.53 -1.94 114.58 120.13 2qkf h GLU 154 Ca 0.10 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 2qkf h GLU 154 Cb 0.17 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2qkf h GLU 154 CO -0.01 0.46 -0.03 0.00 -1.18 0.00 0.00 179.01 178.25 2qkf n ALA 155 N -2.46 2.66 -0.17 2.92 0.00 -0.20 -4.93 120.51 118.33 2qkf n ALA 155 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2qkf n ALA 155 Cb 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.15 0.89 2.94 0.00 0.00 -0.38 -4.54 105.19 105.26 2qkf n GLY 156 Ca 0.19 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.16 2.61 -0.00 1.61 3.84 0.02 -4.98 114.94 115.87 2qkf s ASN 157 Ca 0.00 -0.51 0.07 0.00 0.21 0.00 0.00 52.86 52.63 2qkf s ASN 157 Cb 0.00 -0.98 0.21 0.00 -0.55 0.00 0.00 41.25 39.93 2qkf s ASN 157 CO 0.00 -0.13 1.17 0.61 -2.79 0.00 0.00 177.10 175.97 2qkf n GLY 158 N 4.86 2.87 2.95 1.21 0.00 -1.26 -3.40 105.19 112.43 2qkf n GLY 158 Ca -0.14 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 0.16 3.48 -5.24 1.61 5.02 -1.26 -4.96 118.16 116.97 2qkf n LYS 159 Ca 0.08 -3.46 -0.32 0.00 -2.02 0.00 0.00 58.31 52.60 2qkf n LYS 159 Cb 0.38 -3.00 -0.16 0.00 -0.02 0.00 0.00 35.03 32.22 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 0.50 2.09 -0.07 -0.35 1.43 -1.26 -0.91 118.68 120.12 2qkf s LEU 160 Ca 0.41 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 2qkf s LEU 160 Cb 0.08 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2qkf s LEU 160 CO -0.00 0.23 -0.11 -0.63 0.23 0.00 0.00 176.35 176.07 2qkf s ILE 161 N -0.07 3.35 -0.19 -0.59 1.01 0.65 -4.13 121.20 121.23 2qkf s ILE 161 Ca -0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 2qkf s ILE 161 Cb -0.15 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2qkf s ILE 161 CO 0.05 0.58 0.03 -0.76 0.00 0.00 0.00 174.94 174.84 2qkf s LEU 162 N -0.58 3.57 -0.19 2.97 1.43 0.10 -0.18 118.68 125.79 2qkf s LEU 162 Ca 0.08 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 2qkf s LEU 162 Cb -0.12 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.24 2qkf s LEU 162 CO 0.02 0.13 -0.13 0.00 0.23 0.00 0.00 176.35 176.60 2qkf s GLU 164 N 1.35 4.64 -0.00 0.00 2.56 -0.47 -0.32 118.70 126.46 2qkf s GLU 164 Ca 0.00 1.59 0.02 0.00 0.00 0.00 0.00 54.97 56.58 2qkf s GLU 164 Cb -0.15 -3.32 0.03 0.00 2.00 0.00 0.00 34.13 32.68 2qkf s GLU 164 CO -0.09 0.14 1.01 2.89 -0.56 0.00 0.00 175.26 178.65 2qkf n ARG 165 N 2.59 0.02 0.00 4.30 -4.01 -1.26 -0.27 116.66 118.03 2qkf n ARG 165 Ca 0.03 -1.09 0.00 0.00 -1.04 0.00 0.00 57.85 55.75 2qkf n ARG 165 Cb 0.48 -0.49 0.00 0.00 -3.04 0.00 0.00 32.46 29.40 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 0.98 3.29 2.89 0.00 -1.26 -3.40 105.19 107.69 2qkf n GLY 166 Ca 0.01 -1.84 -0.27 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 -0.95 2.76 0.24 1.61 0.01 0.54 -4.17 113.70 113.75 2qkf s SER 167 Ca 0.00 -0.58 -0.31 0.00 1.31 0.00 0.00 55.95 56.36 2qkf s SER 167 Cb 0.00 -0.22 -0.12 0.00 0.21 0.00 0.00 66.02 65.88 2qkf s SER 167 CO 0.00 0.18 1.60 -1.20 0.41 0.00 0.00 173.24 174.23 2qkf n SER 168 N 1.65 3.61 -3.52 2.44 7.64 0.39 -1.18 113.62 124.66 2qkf n SER 168 Ca -0.17 1.11 -0.29 0.00 1.01 0.00 0.00 58.87 60.53 2qkf n SER 168 Cb 0.53 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.07 2qkf n SER 168 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2qkf s PHE 169 N 0.42 0.94 0.00 1.43 5.36 -0.32 -4.80 117.98 121.00 2qkf s PHE 169 Ca 0.70 -1.72 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 2qkf s PHE 169 Cb -0.55 -1.10 0.00 0.00 -0.34 0.00 0.00 43.02 41.03 2qkf s PHE 169 CO 0.43 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 2qkf n GLY 170 N 4.05 0.62 3.81 13.12 0.00 -1.26 -4.17 105.19 121.35 2qkf n GLY 170 Ca 0.10 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 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 3.81 -1.45 1.61 2.02 -1.26 -4.33 117.35 117.75 2qkf s TYR 171 Ca 0.00 1.30 -0.05 0.00 -0.37 0.00 0.00 57.07 57.95 2qkf s TYR 171 Cb 0.00 -2.52 0.02 0.00 -0.40 0.00 0.00 41.96 39.06 2qkf s TYR 171 CO 0.00 0.57 0.41 -0.25 -1.57 0.00 0.00 175.55 174.72 2qkf n ASP 172 N 1.75 -5.17 -3.77 2.29 8.00 -1.26 -4.94 116.55 113.45 2qkf n ASP 172 Ca -0.10 -0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.07 2qkf n ASP 172 Cb 0.51 -4.24 -0.08 0.00 -0.02 0.00 0.00 41.12 37.29 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 -2.53 -0.12 0.06 -2.24 2.47 -1.26 -5.04 114.94 106.29 2qkf s ASN 173 Ca 0.25 -0.15 0.06 0.00 0.42 0.00 0.00 52.86 53.44 2qkf s ASN 173 Cb -0.12 0.34 -0.03 0.00 -1.45 0.00 0.00 41.25 39.99 2qkf s ASN 173 CO 0.31 -0.57 -0.17 -0.76 -3.72 0.00 0.00 177.10 172.19 2qkf s LEU 174 N -1.90 2.23 0.02 3.21 1.43 -1.26 -1.18 118.68 121.23 2qkf s LEU 174 Ca -0.07 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2qkf s LEU 174 Cb -0.02 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.46 2qkf s LEU 174 CO -0.02 0.04 -0.17 0.54 0.23 0.00 0.00 176.35 176.98 2qkf s VAL 175 N -1.03 1.31 -0.30 -1.59 0.11 -0.32 -4.76 120.40 113.83 2qkf s VAL 175 Ca 0.03 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 58.07 2qkf s VAL 175 Cb -0.09 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 2qkf s VAL 175 CO 0.02 0.22 0.24 -0.69 -3.33 0.00 0.00 175.10 171.57 2qkf s VAL 176 N -0.61 5.27 -0.58 2.04 1.01 -1.26 -0.34 120.40 125.94 2qkf s VAL 176 Ca 0.05 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 2qkf s VAL 176 Cb -0.07 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.73 2qkf s VAL 176 CO 0.00 0.16 1.13 -0.62 0.00 0.00 0.00 175.10 175.77 2qkf s ASP 177 N 1.73 6.40 0.57 3.32 2.15 -1.26 -4.90 116.67 124.68 2qkf s ASP 177 Ca 0.08 -0.06 0.38 0.00 0.43 0.00 0.00 52.55 53.38 2qkf s ASP 177 Cb -0.16 -2.52 1.98 0.00 -0.30 0.00 0.00 42.92 41.92 2qkf s ASP 177 CO 0.11 -1.43 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 -1.32 114.93 128.34 2qkf h MET 178 Ca -0.25 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 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 1.16 0.00 -0.14 -0.07 1.06 0.00 0.00 176.91 178.93 2qkf h LEU 179 N 0.00 0.00 -1.53 1.22 3.38 -2.02 -3.31 115.31 113.05 2qkf h LEU 179 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qkf h LEU 179 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2qkf h LEU 179 CO 0.00 0.14 0.24 1.23 0.09 0.00 0.00 178.44 180.14 2qkf h GLY 180 N 3.22 0.59 0.69 0.83 0.00 -1.65 -2.76 103.07 103.99 2qkf h GLY 180 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.13 2qkf h GLY 180 CO 0.02 0.23 0.03 0.74 0.00 0.00 0.00 176.54 177.56 2qkf h PHE 181 N 0.56 0.04 -0.46 5.60 -1.00 -1.73 -0.68 116.94 119.27 2qkf h PHE 181 Ca 0.15 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.83 2qkf h PHE 181 Cb -0.01 0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 2qkf h PHE 181 CO 0.00 -0.00 -0.18 0.78 -1.61 0.00 0.00 178.31 177.30 2qkf h GLY 182 N 0.11 0.99 1.00 -1.45 0.00 -1.75 -2.14 103.07 99.83 2qkf h GLY 182 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2qkf h GLY 182 CO -0.16 0.76 0.32 -2.08 0.00 0.00 0.00 176.54 175.37 2qkf h VAL 183 N 0.80 1.13 -0.86 4.60 2.07 -1.19 -0.63 116.25 122.17 2qkf h VAL 183 Ca 0.11 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 2qkf h VAL 183 Cb 0.72 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2qkf h VAL 183 CO 0.06 0.13 0.42 0.24 0.02 0.00 0.00 177.57 178.44 2qkf h MET 184 N 0.66 1.23 -0.43 1.57 2.07 -0.95 -0.84 114.93 118.25 2qkf h MET 184 Ca 0.18 -0.18 -0.05 0.00 -2.07 0.00 0.00 59.70 57.58 2qkf h MET 184 Cb -0.06 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 29.42 2qkf h MET 184 CO -0.04 0.94 0.07 0.87 1.07 0.00 0.00 176.91 179.82 2qkf h LYS 185 N 1.22 0.72 -0.11 1.72 1.57 -1.07 -1.42 116.57 119.21 2qkf h LYS 185 Ca 0.30 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 2qkf h LYS 185 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2qkf h LYS 185 CO -0.04 0.75 -0.62 1.96 -0.57 0.00 0.00 179.45 180.93 2qkf h GLN 186 N 0.58 0.38 0.00 3.15 4.20 -0.91 0.17 115.11 122.68 2qkf h GLN 186 Ca 0.13 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2qkf h GLN 186 Cb 0.38 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 2qkf h GLN 186 CO 0.01 0.88 -1.59 0.25 -0.67 0.00 0.00 178.83 177.71 2qkf n THR 187 N -3.89 0.28 -1.40 -0.54 -2.24 -0.34 -4.31 114.28 101.84 2qkf n THR 187 Ca -0.03 -0.53 0.01 0.00 -2.27 0.00 0.00 64.05 61.23 2qkf n THR 187 Cb 0.64 -0.15 0.20 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.08 -0.11 3.83 0.00 0.00 -1.20 -3.12 105.19 103.51 2qkf n GLY 189 Ca 0.27 -0.19 -0.30 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 -1.03 -4.23 -4.71 1.61 5.15 0.57 -4.03 115.26 108.60 2qkf n ASN 190 Ca -0.08 -0.73 -0.36 0.00 -0.60 0.00 0.00 54.58 52.81 2qkf n ASN 190 Cb 0.58 -3.42 0.08 0.00 -0.53 0.00 0.00 39.78 36.49 2qkf n ASN 190 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qkf n LEU 191 N -4.35 5.58 -4.65 1.20 4.77 -1.18 -0.32 117.00 118.05 2qkf n LEU 191 Ca 0.04 0.78 -0.47 0.00 -0.03 0.00 0.00 56.01 56.32 2qkf n LEU 191 Cb 0.52 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.03 2qkf n LEU 191 CO 0.72 -1.19 1.12 -2.65 -1.33 0.00 0.00 177.39 174.05 2qkf n PRO 192 N -2.12 1.95 -4.74 3.23 -0.02 -1.25 -4.84 135.00 127.21 2qkf n PRO 192 Ca 0.15 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 2qkf n PRO 192 Cb 0.48 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 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 0.71 3.10 0.30 -1.45 1.01 -1.26 -0.72 120.40 122.08 2qkf s VAL 193 Ca 0.78 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2qkf s VAL 193 Cb -0.72 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2qkf s VAL 193 CO 0.41 0.52 -0.07 0.27 0.00 0.00 0.00 175.10 176.23 2qkf s ILE 194 N 0.37 1.82 -0.20 2.22 -4.36 0.19 -0.91 121.20 120.33 2qkf s ILE 194 Ca -0.10 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.14 2qkf s ILE 194 Cb -0.16 -2.50 0.05 0.00 1.25 0.00 0.00 42.46 41.10 2qkf s ILE 194 CO 0.05 -0.28 -0.08 0.12 0.24 0.00 0.00 174.94 174.99 2qkf s PHE 195 N -2.89 2.27 -1.10 1.37 5.36 -0.67 -1.37 117.98 120.94 2qkf s PHE 195 Ca 0.30 -1.52 -0.19 0.00 -0.96 0.00 0.00 56.93 54.56 2qkf s PHE 195 Cb 0.03 -1.56 0.09 0.00 -0.34 0.00 0.00 43.02 41.24 2qkf s PHE 195 CO 0.13 -0.72 1.46 0.34 -1.46 0.00 0.00 175.22 174.96 2qkf s ASP 196 N 1.44 6.70 0.24 6.13 -1.08 0.62 -0.20 116.67 130.53 2qkf s ASP 196 Ca -0.02 -2.06 -0.03 0.00 -0.52 0.00 0.00 52.55 49.92 2qkf s ASP 196 Cb -0.16 -2.51 0.27 0.00 -1.46 0.00 0.00 42.92 39.05 2qkf s ASP 196 CO -0.08 -1.22 1.71 -0.37 0.52 0.00 0.00 175.17 175.74 2qkf h VAL 197 N 5.97 1.25 -0.01 1.11 -1.51 -1.71 -2.46 116.25 118.88 2qkf h VAL 197 Ca 0.27 -1.11 0.03 0.00 -1.23 0.00 0.00 66.70 64.66 2qkf h VAL 197 Cb 0.96 0.96 -0.04 0.00 -2.13 0.00 0.00 31.29 31.04 2qkf h VAL 197 CO 1.34 0.39 -0.18 0.74 -1.23 0.00 0.00 177.57 178.63 2qkf h THR 198 N 0.74 0.57 0.00 7.19 2.02 -1.89 -2.49 112.91 119.06 2qkf h THR 198 Ca 0.13 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2qkf h THR 198 Cb 0.54 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2qkf h THR 198 CO 0.03 0.00 -0.20 0.45 0.37 0.00 0.00 175.52 176.17 2qkf h HIS 199 N -0.28 0.00 0.00 3.16 3.86 -1.88 -2.99 115.15 117.02 2qkf h HIS 199 Ca 0.06 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2qkf h HIS 199 Cb 0.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.83 2qkf h HIS 199 CO -0.23 0.19 -0.09 0.77 0.86 0.00 0.00 177.93 179.43 2qkf h SER 200 N 0.00 0.00 -0.70 2.45 0.02 -1.12 -3.37 113.55 110.83 2qkf h SER 200 Ca -0.00 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.22 2qkf h SER 200 Cb 1.15 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.59 2qkf h SER 200 CO 0.02 0.09 2.56 0.18 -1.14 0.00 0.00 176.83 178.54 2qkf n LEU 201 N -3.46 6.57 0.00 5.07 4.77 -0.97 -4.77 117.00 124.21 2qkf n LEU 201 Ca -0.02 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.63 2qkf n LEU 201 Cb 0.23 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 2qkf n LEU 201 CO 0.28 1.12 0.00 1.67 -1.33 0.00 0.00 177.39 179.14 2qkf n GLN 202 N 5.39 0.00 0.00 3.23 0.00 -1.26 -5.06 117.38 119.68 2qkf n GLN 202 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.46 2qkf n GLN 202 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.63 2qkf n GLN 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qkf n GLY 213 N -0.27 0.15 0.21 1.69 0.00 -1.26 -5.03 105.19 100.69 2qkf n GLY 213 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2qkf n GLY 213 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qkf h ARG 214 N 0.00 0.00 -0.45 1.61 -0.00 -2.05 -2.57 114.38 110.91 2qkf h ARG 214 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.88 2qkf h ARG 214 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 2qkf h ARG 214 CO 0.00 0.20 -0.12 0.00 -0.00 0.00 0.00 179.97 180.05 2qkf h ARG 215 N 0.00 0.88 -0.02 0.08 3.08 -2.05 -1.59 114.38 114.76 2qkf h ARG 215 Ca -0.00 -0.34 -0.11 0.00 0.07 0.00 0.00 59.98 59.59 2qkf h ARG 215 Cb 0.90 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2qkf h ARG 215 CO 0.03 0.99 -0.52 0.00 -1.07 0.00 0.00 179.97 179.40 2qkf h ALA 216 N 0.87 1.10 0.05 0.04 0.00 -1.98 -2.20 119.26 117.15 2qkf h ALA 216 Ca 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qkf h ALA 216 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qkf h ALA 216 CO 0.05 0.65 -0.03 1.96 0.00 0.00 0.00 179.25 181.89 2qkf h GLN 217 N 0.05 -0.07 -0.86 0.00 4.20 -1.23 -1.00 115.11 116.19 2qkf h GLN 217 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qkf h GLN 217 Cb 0.93 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 2qkf h GLN 217 CO 0.07 0.12 0.54 0.00 -0.67 0.00 0.00 178.83 178.89 2qkf h ALA 218 N 0.68 1.35 0.17 3.87 0.00 -1.25 -0.91 119.26 123.17 2qkf h ALA 218 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2qkf h ALA 218 Cb 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qkf h ALA 218 CO 0.01 0.59 -0.08 1.25 0.00 0.00 0.00 179.25 181.02 2qkf h LEU 219 N 1.17 -0.19 -0.56 0.00 5.85 -1.29 -0.76 115.31 119.52 2qkf h LEU 219 Ca 0.31 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2qkf h LEU 219 Cb -0.10 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2qkf h LEU 219 CO -0.06 0.08 0.24 0.44 -0.34 0.00 0.00 178.44 178.79 2qkf h ASP 220 N -0.47 0.29 -0.34 1.25 5.19 -0.99 -0.30 116.42 121.04 2qkf h ASP 220 Ca -0.02 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.39 2qkf h ASP 220 Cb 0.37 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2qkf h ASP 220 CO 0.04 0.19 0.01 0.25 -3.12 0.00 0.00 179.24 176.61 2qkf h LEU 221 N 0.45 0.58 -0.49 1.55 5.85 -1.11 -0.91 115.31 121.23 2qkf h LEU 221 Ca 0.27 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2qkf h LEU 221 Cb 0.26 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2qkf h LEU 221 CO -0.24 0.74 0.30 0.00 -0.34 0.00 0.00 178.44 178.90 2qkf h ALA 222 N 0.87 0.62 -0.28 1.25 0.00 -0.82 -2.00 119.26 118.90 2qkf h ALA 222 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qkf h ALA 222 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qkf h ALA 222 CO 0.02 0.10 0.17 -0.07 0.00 0.00 0.00 179.25 179.46 2qkf h LEU 223 N 0.65 0.33 -0.41 0.00 3.38 -0.98 -0.19 115.31 118.10 2qkf h LEU 223 Ca 0.18 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2qkf h LEU 223 Cb -0.02 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2qkf h LEU 223 CO -0.03 0.29 0.16 0.00 0.09 0.00 0.00 178.44 178.94 2qkf h ALA 224 N 1.06 0.49 -0.37 1.53 0.00 -1.02 -1.27 119.26 119.68 2qkf h ALA 224 Ca 0.10 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qkf h ALA 224 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qkf h ALA 224 CO -0.02 -0.22 0.08 0.78 0.00 0.00 0.00 179.25 179.87 2qkf h GLY 225 N 0.33 0.64 2.00 0.00 0.00 -1.11 -2.82 103.07 102.11 2qkf h GLY 225 Ca 0.19 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 2qkf h GLY 225 CO -0.17 0.38 -0.14 -0.33 0.00 0.00 0.00 176.54 176.28 2qkf h MET 226 N 0.44 0.00 0.00 4.80 2.07 -0.79 -1.87 114.93 119.58 2qkf h MET 226 Ca 0.11 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.74 2qkf h MET 226 Cb 0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.05 2qkf h MET 226 CO 0.00 0.14 -0.00 0.00 1.07 0.00 0.00 176.91 178.12 2qkf h ALA 227 N 1.86 1.23 -0.01 6.32 0.00 -0.96 -1.96 119.26 125.74 2qkf h ALA 227 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkf h ALA 227 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qkf h ALA 227 CO 0.02 0.00 -0.04 0.25 0.00 0.00 0.00 179.25 179.48 2qkf n THR 228 N -3.42 0.00 -1.60 0.00 -2.24 -0.70 -4.99 114.28 101.34 2qkf n THR 228 Ca -0.03 -0.09 -0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2qkf n THR 228 Cb 0.08 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.67 -0.26 -4.34 -0.78 0.63 -0.74 -4.91 116.66 105.60 2qkf n ARG 229 Ca 0.19 0.67 -0.19 0.00 -0.92 0.00 0.00 57.85 57.60 2qkf n ARG 229 Cb 0.24 -1.44 -0.10 0.00 0.45 0.00 0.00 32.46 31.60 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 -0.32 2.53 0.34 6.15 1.43 -1.26 -4.90 118.68 122.65 2qkf s LEU 230 Ca 0.00 -0.98 0.18 0.00 -1.03 0.00 0.00 54.13 52.30 2qkf s LEU 230 Cb -0.00 -0.70 0.37 0.00 0.03 0.00 0.00 46.19 45.89 2qkf s LEU 230 CO 0.06 -0.14 1.58 0.00 0.23 0.00 0.00 176.35 178.08 2qkf h ALA 231 N 2.74 0.82 -1.70 4.21 0.00 -1.18 -3.42 119.26 120.72 2qkf h ALA 231 Ca -0.39 -0.37 0.32 0.00 0.00 0.00 0.00 54.91 54.47 2qkf h ALA 231 Cb 1.22 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2qkf h ALA 231 CO 0.59 0.50 0.82 0.20 0.00 0.00 0.00 179.25 181.36 2qkf s GLY 232 N -4.40 -0.31 0.01 0.00 0.00 -1.23 -1.22 107.32 100.17 2qkf s GLY 232 Ca 0.03 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.25 2qkf s GLY 232 CO 0.71 1.51 -0.14 -2.27 0.00 0.00 0.00 173.10 172.91 2qkf s LEU 233 N -3.19 2.07 -0.13 0.66 2.96 -0.48 -1.67 118.68 118.90 2qkf s LEU 233 Ca 0.18 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2qkf s LEU 233 Cb 0.03 -0.66 0.02 0.00 0.50 0.00 0.00 46.19 46.07 2qkf s LEU 233 CO -0.02 0.12 -0.17 0.12 -1.32 0.00 0.00 176.35 175.07 2qkf s PHE 234 N -0.48 2.30 0.19 5.38 5.36 0.72 -0.58 117.98 130.86 2qkf s PHE 234 Ca 0.04 -1.18 -0.09 0.00 -0.96 0.00 0.00 56.93 54.74 2qkf s PHE 234 Cb -0.06 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 40.99 2qkf s PHE 234 CO 0.00 -0.59 0.31 -0.48 -1.46 0.00 0.00 175.22 173.00 2qkf s LEU 235 N 1.07 0.84 0.10 6.12 0.05 0.95 -2.24 118.68 125.57 2qkf s LEU 235 Ca -0.03 -0.93 0.05 0.00 0.05 0.00 0.00 54.13 53.27 2qkf s LEU 235 Cb -0.14 1.23 -0.03 0.00 -2.05 0.00 0.00 46.19 45.19 2qkf s LEU 235 CO -0.05 -0.94 -0.14 -1.61 -0.55 0.00 0.00 176.35 173.07 2qkf s GLU 236 N -4.00 0.94 0.38 1.48 2.02 -1.26 -3.45 118.70 114.81 2qkf s GLU 236 Ca 0.21 -1.14 0.05 0.00 0.02 0.00 0.00 54.97 54.10 2qkf s GLU 236 Cb 0.03 -0.85 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 2qkf s GLU 236 CO 0.03 0.17 0.18 -1.12 0.02 0.00 0.00 175.26 174.54 2qkf s SER 237 N -2.21 2.34 0.13 -0.19 0.01 -1.23 -5.00 113.70 107.56 2qkf s SER 237 Ca 0.05 -1.70 -0.27 0.00 1.31 0.00 0.00 55.95 55.34 2qkf s SER 237 Cb -0.06 0.54 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 2qkf s SER 237 CO 0.02 -0.98 1.60 0.25 0.41 0.00 0.00 173.24 174.54 2qkf h LEU 254 N 1.92 -1.07 -6.95 2.44 5.85 -2.07 -3.48 115.31 111.96 2qkf h LEU 254 Ca -0.32 0.15 -0.81 0.00 0.84 0.00 0.00 57.88 57.74 2qkf h LEU 254 Cb 1.26 0.44 -0.28 0.00 0.37 0.00 0.00 40.66 42.45 2qkf h LEU 254 CO 0.49 -0.38 0.79 1.41 -0.34 0.00 0.00 178.44 180.40 2qkf n HIS 255 N -5.42 2.43 0.02 1.25 8.25 -1.26 -4.89 115.22 115.60 2qkf n HIS 255 Ca -0.04 -2.66 -0.08 0.00 -0.26 0.00 0.00 57.72 54.69 2qkf n HIS 255 Cb 0.34 -1.29 0.09 0.00 1.12 0.00 0.00 29.99 30.24 2qkf n HIS 255 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qkf h LEU 256 N 5.54 0.54 0.06 2.41 4.07 -2.05 -2.37 115.31 123.51 2qkf h LEU 256 Ca 0.20 -0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2qkf h LEU 256 Cb 0.63 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2qkf h LEU 256 CO 1.32 0.96 -0.03 0.25 -1.08 0.00 0.00 178.44 179.86 2qkf h LEU 257 N 0.38 -0.06 -0.74 1.67 5.85 -1.99 -1.22 115.31 119.19 2qkf h LEU 257 Ca 0.01 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 2qkf h LEU 257 Cb 1.03 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 2qkf h LEU 257 CO 0.09 0.10 0.08 1.05 -0.34 0.00 0.00 178.44 179.42 2qkf h GLU 258 N -0.22 1.04 -0.28 1.25 4.11 -1.95 0.46 114.58 118.98 2qkf h GLU 258 Ca -0.01 -0.28 0.04 0.00 0.07 0.00 0.00 59.36 59.18 2qkf h GLU 258 Cb 0.19 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2qkf h GLU 258 CO 0.01 0.97 0.06 -0.44 0.07 0.00 0.00 179.01 179.68 2qkf h ASP 259 N 0.97 0.03 0.38 3.06 3.32 -1.32 0.18 116.42 123.03 2qkf h ASP 259 Ca 0.19 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 2qkf h ASP 259 Cb 0.45 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2qkf h ASP 259 CO 0.02 0.05 -0.29 0.15 -1.72 0.00 0.00 179.24 177.44 2qkf h PHE 260 N 0.17 -0.78 -0.31 4.55 3.57 -1.03 -3.16 116.94 119.94 2qkf h PHE 260 Ca 0.13 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2qkf h PHE 260 Cb 0.12 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 2qkf h PHE 260 CO -0.16 -0.43 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.25 2qkf h LEU 261 N -0.67 0.55 -0.58 0.59 3.38 -0.65 -1.69 115.31 116.24 2qkf h LEU 261 Ca -0.03 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.87 2qkf h LEU 261 Cb 0.58 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2qkf h LEU 261 CO -0.01 0.73 0.17 0.40 0.09 0.00 0.00 178.44 179.82 2qkf h ILE 262 N 0.51 0.71 -0.28 1.22 2.04 -1.00 0.11 117.51 120.82 2qkf h ILE 262 Ca 0.09 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 2qkf h ILE 262 Cb 0.58 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2qkf h ILE 262 CO 0.04 0.06 -0.43 0.03 0.00 0.00 0.00 178.15 177.85 2qkf h ARG 263 N 0.32 0.79 -0.38 2.37 3.08 -1.39 -2.17 114.38 117.00 2qkf h ARG 263 Ca 0.30 -0.47 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2qkf h ARG 263 Cb 0.40 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2qkf h ARG 263 CO -0.34 1.10 0.15 0.82 -1.07 0.00 0.00 179.97 180.62 2qkf h ILE 264 N 0.55 1.19 -0.65 2.04 1.08 -1.08 -2.41 117.51 118.23 2qkf h ILE 264 Ca 0.03 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.88 2qkf h ILE 264 Cb 1.02 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 2qkf h ILE 264 CO 0.10 0.22 0.36 0.50 -0.69 0.00 0.00 178.15 178.63 2qkf h LYS 265 N 0.46 0.91 -0.44 2.37 3.64 -0.75 0.15 116.57 122.91 2qkf h LYS 265 Ca 0.13 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2qkf h LYS 265 Cb 0.20 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2qkf h LYS 265 CO -0.01 0.69 0.29 0.00 -2.27 0.00 0.00 179.45 178.15 2qkf h ALA 266 N 1.17 0.56 -0.19 5.00 0.00 -1.28 0.28 119.26 124.81 2qkf h ALA 266 Ca 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2qkf h ALA 266 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qkf h ALA 266 CO -0.04 -0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.45 2qkf h LEU 267 N 0.59 0.34 -0.53 0.00 5.85 -1.15 -2.34 115.31 118.06 2qkf h LEU 267 Ca 0.17 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2qkf h LEU 267 Cb -0.05 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 2qkf h LEU 267 CO -0.04 0.59 0.32 -0.78 -0.34 0.00 0.00 178.44 178.19 2qkf h ASP 268 N 0.08 0.53 -0.50 1.25 3.58 -0.50 -1.57 116.42 119.28 2qkf h ASP 268 Ca 0.05 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.56 2qkf h ASP 268 Cb 0.43 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 2qkf h ASP 268 CO 0.01 0.37 0.21 0.44 -2.88 0.00 0.00 179.24 177.40 2qkf h ASP 269 N 0.64 0.26 0.49 2.28 3.32 -0.39 -1.15 116.42 121.88 2qkf h ASP 269 Ca 0.21 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 2qkf h ASP 269 Cb 0.01 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2qkf h ASP 269 CO -0.09 0.18 -0.36 0.25 -1.72 0.00 0.00 179.24 177.50 2qkf h LEU 270 N 0.41 -0.94 -0.50 1.55 5.85 -1.09 -2.38 115.31 118.22 2qkf h LEU 270 Ca 0.23 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.08 2qkf h LEU 270 Cb 0.20 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2qkf h LEU 270 CO -0.20 -0.54 0.20 0.40 -0.34 0.00 0.00 178.44 177.96 2qkf h ILE 271 N -0.83 0.87 0.00 4.05 1.08 -1.10 -1.84 117.51 119.72 2qkf h ILE 271 Ca -0.05 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2qkf h ILE 271 Cb 0.71 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2qkf h ILE 271 CO 0.01 0.07 0.00 0.11 -0.69 0.00 0.00 178.15 177.66 2qkf h LYS 272 N 0.40 0.00 0.00 2.37 1.79 -1.18 -2.44 116.57 117.52 2qkf h LYS 272 Ca 0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2qkf h LYS 272 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2qkf h LYS 272 CO -0.22 0.00 -0.19 0.66 -1.08 0.00 0.00 179.45 178.63 2qkf h SER 273 N 0.00 0.00 -3.41 0.86 4.64 -0.79 -3.46 113.55 111.40 2qkf h SER 273 Ca 0.00 -0.06 -0.55 0.00 -0.47 0.00 0.00 61.79 60.71 2qkf h SER 273 Cb 0.52 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.57 2qkf h SER 273 CO 0.00 0.03 0.10 -1.10 -0.87 0.00 0.00 176.83 174.99 2qkf s GLN 274 N -3.12 4.43 0.53 4.77 -0.21 -0.92 -5.04 119.66 120.10 2qkf s GLN 274 Ca 0.09 0.99 -0.22 0.00 0.02 0.00 0.00 55.36 56.25 2qkf s GLN 274 Cb 0.12 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.81 2qkf s GLN 274 CO 0.64 0.56 1.28 -2.14 -2.12 0.00 0.00 175.29 173.51 2qkf s PRO 275 N -1.01 3.30 0.16 2.91 0.02 -1.26 -4.93 135.00 134.19 2qkf s PRO 275 Ca 0.33 2.04 -0.31 0.00 0.02 0.00 0.00 61.00 63.08 2qkf s PRO 275 Cb -0.22 -2.26 -0.11 0.00 0.02 0.00 0.00 34.50 31.94 2qkf s PRO 275 CO 0.23 -1.00 1.69 0.42 -0.33 0.00 0.00 177.00 178.01 2qkf s ILE 276 N -1.41 2.46 -2.97 2.83 1.01 -1.26 -5.15 121.20 116.70 2qkf s ILE 276 Ca 0.70 0.22 0.24 0.00 0.00 0.00 0.00 60.65 61.81 2qkf s ILE 276 Cb -0.36 -3.14 0.19 0.00 0.01 0.00 0.00 42.46 39.16 2qkf s ILE 276 CO 0.42 0.01 1.25 -0.11 0.00 0.00 0.00 174.94 176.51