#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qpk s GLN 2 N 0.00 4.69 -0.05 -0.67 0.74 -1.26 -5.03 119.66 118.08 1qpk s GLN 2 Ca 0.00 1.41 0.08 0.00 0.05 0.00 0.00 55.36 56.90 1qpk s GLN 2 Cb 0.00 -3.36 0.15 0.00 1.10 0.00 0.00 33.01 30.90 1qpk s GLN 2 CO 0.00 0.26 1.10 0.00 -0.55 0.00 0.00 175.29 176.10 1qpk n ALA 3 N 2.62 2.16 -2.60 1.58 0.00 -1.26 -3.22 120.51 119.78 1qpk n ALA 3 Ca 0.01 -1.65 -0.11 0.00 0.00 0.00 0.00 53.44 51.70 1qpk n ALA 3 Cb 0.49 -0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.78 1qpk n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpk n GLY 4 N -0.74 1.10 3.92 0.00 0.00 -1.26 -4.35 105.19 103.86 1qpk n GLY 4 Ca 0.08 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1qpk n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpk s LYS 5 N -3.50 3.24 1.06 1.61 1.02 -1.26 -0.93 119.74 120.98 1qpk s LYS 5 Ca 0.30 -0.09 -0.17 0.00 0.02 0.00 0.00 55.97 56.03 1qpk s LYS 5 Cb -0.02 -2.42 0.23 0.00 -0.52 0.00 0.00 37.83 35.10 1qpk s LYS 5 CO 0.19 -0.32 1.19 -1.54 -0.92 0.00 0.00 175.35 173.95 1qpk s SER 6 N -4.18 2.19 0.56 2.83 1.04 0.30 -4.83 113.70 111.61 1qpk s SER 6 Ca 0.49 0.57 0.24 0.00 0.48 0.00 0.00 55.95 57.73 1qpk s SER 6 Cb -0.10 -0.81 1.59 0.00 0.10 0.00 0.00 66.02 66.79 1qpk s SER 6 CO 0.42 -3.33 2.21 -0.65 0.98 0.00 0.00 173.24 172.87 1qpk h PRO 7 N -2.04 0.00 -0.63 4.02 0.11 -1.98 0.12 132.00 131.59 1qpk h PRO 7 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qpk h PRO 7 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qpk h PRO 7 CO 0.41 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.29 1qpk n ASN 8 N -4.14 3.83 -1.42 -2.05 3.02 -1.26 -4.93 115.26 108.30 1qpk n ASN 8 Ca -0.03 -2.23 -0.14 0.00 -0.03 0.00 0.00 54.58 52.15 1qpk n ASN 8 Cb 0.09 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 1qpk n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qpk n ALA 9 N 1.09 -0.35 -2.11 5.41 0.00 0.40 -5.01 120.51 119.94 1qpk n ALA 9 Ca 0.22 0.15 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 1qpk n ALA 9 Cb 0.68 -1.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 1qpk n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qpk s VAL 10 N -2.64 4.39 -1.44 0.00 1.01 -1.26 -4.67 120.40 115.79 1qpk s VAL 10 Ca 0.00 2.00 -0.13 0.00 0.00 0.00 0.00 61.98 63.84 1qpk s VAL 10 Cb 0.00 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1qpk s VAL 10 CO 0.00 0.39 2.21 0.54 0.00 0.00 0.00 175.10 178.24 1qpk n ARG 11 N 2.32 2.96 -0.44 2.72 1.74 -0.34 -0.54 116.66 125.09 1qpk n ARG 11 Ca -0.00 -2.69 0.09 0.00 -0.77 0.00 0.00 57.85 54.47 1qpk n ARG 11 Cb 0.49 -3.24 0.29 0.00 -1.02 0.00 0.00 32.46 28.98 1qpk n ARG 11 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1qpk n TYR 12 N 5.79 1.08 -3.57 -1.55 -0.00 -1.26 -3.21 117.16 114.44 1qpk n TYR 12 Ca 0.51 -0.47 -0.21 0.00 -0.00 0.00 0.00 57.90 57.73 1qpk n TYR 12 Cb 0.38 -0.12 0.00 0.00 -0.00 0.00 0.00 39.34 39.60 1qpk n TYR 12 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.86 178.44 1qpk n HIS 13 N 1.11 -1.70 0.00 -3.48 -0.00 -1.16 -0.67 115.22 109.32 1qpk n HIS 13 Ca 0.21 0.70 0.00 0.00 -0.00 0.00 0.00 57.72 58.63 1qpk n HIS 13 Cb 0.67 -2.25 0.00 0.00 -0.00 0.00 0.00 29.99 28.41 1qpk n HIS 13 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qpk n GLY 14 N -1.41 2.54 2.23 1.57 0.00 -0.10 -3.87 105.19 106.16 1qpk n GLY 14 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 1qpk n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpk n GLY 15 N -1.92 0.51 0.50 -0.02 0.00 0.16 -4.88 105.19 99.54 1qpk n GLY 15 Ca 0.00 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1qpk n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qpk n ASP 16 N 0.18 3.01 -4.83 1.61 3.85 -1.25 -0.68 116.55 118.44 1qpk n ASP 16 Ca -0.02 -2.64 -0.33 0.00 -0.71 0.00 0.00 54.79 51.10 1qpk n ASP 16 Cb 0.15 -0.36 -0.03 0.00 -1.35 0.00 0.00 41.12 39.53 1qpk n ASP 16 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1qpk s GLU 17 N -2.12 3.82 -0.26 0.11 0.41 -1.26 -4.99 118.70 114.40 1qpk s GLU 17 Ca 0.29 1.07 -0.02 0.00 -0.41 0.00 0.00 54.97 55.90 1qpk s GLU 17 Cb 0.22 -2.11 0.08 0.00 -1.78 0.00 0.00 34.13 30.54 1qpk s GLU 17 CO 0.08 -0.39 0.08 0.42 -0.49 0.00 0.00 175.26 174.96 1qpk s ILE 18 N -2.47 0.52 -0.01 -1.63 1.01 -1.26 -4.30 121.20 113.07 1qpk s ILE 18 Ca 0.61 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 1qpk s ILE 18 Cb -0.12 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1qpk s ILE 18 CO 0.29 -0.51 0.18 -0.63 0.00 0.00 0.00 174.94 174.28 1qpk s ILE 19 N 1.82 5.43 -0.16 2.92 1.01 -0.65 -1.10 121.20 130.48 1qpk s ILE 19 Ca 0.05 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 1qpk s ILE 19 Cb -0.17 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1qpk s ILE 19 CO -0.21 0.33 -0.03 -0.22 0.00 0.00 0.00 174.94 174.81 1qpk s LEU 20 N -1.91 3.25 -0.54 2.97 2.96 0.15 -0.82 118.68 124.74 1qpk s LEU 20 Ca 0.27 -0.14 -0.28 0.00 -0.22 0.00 0.00 54.13 53.76 1qpk s LEU 20 Cb -0.13 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1qpk s LEU 20 CO 0.18 0.16 1.22 -1.58 -1.32 0.00 0.00 176.35 175.02 1qpk s GLN 21 N 0.42 3.55 0.00 1.98 0.74 0.15 -0.43 119.66 126.08 1qpk s GLN 21 Ca -0.04 0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.80 1qpk s GLN 21 Cb -0.14 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.97 1qpk s GLN 21 CO 0.03 -1.62 0.72 0.41 -0.55 0.00 0.00 175.29 174.28 1qpk n GLY 22 N 5.03 1.55 3.68 2.59 0.00 0.25 -1.83 105.19 116.47 1qpk n GLY 22 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1qpk n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1qpk s PHE 23 N -0.15 -0.14 0.27 1.61 -0.12 -1.26 -4.81 117.98 113.38 1qpk s PHE 23 Ca 0.00 -0.08 0.04 0.00 -0.05 0.00 0.00 56.93 56.84 1qpk s PHE 23 Cb 0.00 0.60 -0.06 0.00 -0.63 0.00 0.00 43.02 42.93 1qpk s PHE 23 CO 0.00 -0.63 0.02 -3.38 -0.05 0.00 0.00 175.22 171.18 1qpk s HIS 24 N -3.02 1.76 0.24 3.49 -3.43 -1.26 -4.32 115.29 108.74 1qpk s HIS 24 Ca 0.11 -0.93 -0.05 0.00 -0.80 0.00 0.00 55.06 53.39 1qpk s HIS 24 Cb 0.00 -1.07 0.39 0.00 -1.43 0.00 0.00 32.58 30.47 1qpk s HIS 24 CO -0.01 -0.01 1.78 2.35 -2.00 0.00 0.00 174.74 176.85 1qpk h TRP 25 N 2.31 0.69 -0.23 0.38 2.91 -1.91 -3.09 115.95 117.00 1qpk h TRP 25 Ca -0.39 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.66 1qpk h TRP 25 Cb 1.23 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 29.69 1qpk h TRP 25 CO 0.58 0.23 0.00 0.09 -1.03 0.00 0.00 178.44 178.31 1qpk n ASN 26 N -4.85 1.62 -0.24 2.65 5.03 -1.26 -4.60 115.26 113.61 1qpk n ASN 26 Ca 0.13 -1.82 0.04 0.00 0.87 0.00 0.00 54.58 53.80 1qpk n ASN 26 Cb 0.31 -0.15 0.17 0.00 -1.02 0.00 0.00 39.78 39.09 1qpk n ASN 26 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1qpk h VAL 27 N 1.97 0.57 0.00 2.41 2.07 -1.89 -0.98 116.25 120.40 1qpk h VAL 27 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1qpk h VAL 27 Cb 0.44 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1qpk h VAL 27 CO 0.00 0.05 -0.06 -0.37 0.02 0.00 0.00 177.57 177.22 1qpk h VAL 28 N 0.30 0.41 0.05 2.57 -1.51 -1.84 -0.26 116.25 115.97 1qpk h VAL 28 Ca 0.39 -0.30 -0.35 0.00 -1.23 0.00 0.00 66.70 65.21 1qpk h VAL 28 Cb 0.64 1.21 -0.05 0.00 -2.13 0.00 0.00 31.29 30.96 1qpk h VAL 28 CO -0.47 0.06 -2.09 0.54 -1.23 0.00 0.00 177.57 174.38 1qpk n ARG 29 N -3.55 0.69 0.12 5.19 1.74 -0.72 -3.66 116.66 116.47 1qpk n ARG 29 Ca -0.02 0.20 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 1qpk n ARG 29 Cb 0.17 -1.66 -0.15 0.00 -1.02 0.00 0.00 32.46 29.81 1qpk n ARG 29 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qpk h GLU 30 N 0.03 0.58 -2.01 5.56 4.39 -1.04 -3.40 114.58 118.68 1qpk h GLU 30 Ca -0.44 -0.88 -0.54 0.00 0.34 0.00 0.00 59.36 57.84 1qpk h GLU 30 Cb 2.04 0.31 -0.39 0.00 -0.10 0.00 0.00 28.75 30.60 1qpk h GLU 30 CO 0.04 1.41 -1.12 0.00 -1.16 0.00 0.00 179.01 178.18 1qpk n ALA 31 N -2.70 2.37 -1.69 3.43 0.00 -0.12 -5.07 120.51 116.73 1qpk n ALA 31 Ca -0.15 -3.44 -0.44 0.00 0.00 0.00 0.00 53.44 49.40 1qpk n ALA 31 Cb 1.05 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 1qpk n ALA 31 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qpk n PRO 32 N 1.08 2.27 -1.19 0.00 -0.04 -1.24 -1.52 135.00 134.36 1qpk n PRO 32 Ca 0.22 0.81 -0.10 0.00 -0.04 0.00 0.00 63.50 64.40 1qpk n PRO 32 Cb 0.56 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.44 1qpk n PRO 32 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1qpk n ASN 33 N 2.69 -3.25 -0.06 3.54 3.02 -0.78 -4.77 115.26 115.65 1qpk n ASN 33 Ca 0.13 0.24 0.01 0.00 -0.03 0.00 0.00 54.58 54.92 1qpk n ASN 33 Cb 0.32 -2.86 0.00 0.00 -0.61 0.00 0.00 39.78 36.64 1qpk n ASN 33 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1qpk n ASP 34 N -0.15 0.90 -0.11 6.41 2.03 -0.58 -4.24 116.55 120.81 1qpk n ASP 34 Ca -0.10 -0.95 -0.05 0.00 0.52 0.00 0.00 54.79 54.21 1qpk n ASP 34 Cb 0.37 0.25 0.03 0.00 -0.72 0.00 0.00 41.12 41.05 1qpk n ASP 34 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1qpk h TRP 35 N 0.30 0.13 -0.12 -0.67 2.91 -1.44 -2.17 115.95 114.89 1qpk h TRP 35 Ca 0.00 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.00 1qpk h TRP 35 Cb 0.07 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 1qpk h TRP 35 CO 0.00 0.02 -0.10 1.88 -1.03 0.00 0.00 178.44 179.21 1qpk h TYR 36 N 0.21 0.19 -0.43 2.65 0.05 -1.74 -0.27 116.97 117.63 1qpk h TYR 36 Ca 0.18 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.81 1qpk h TYR 36 Cb 0.21 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1qpk h TYR 36 CO -0.19 0.29 -0.27 -0.91 -1.05 0.00 0.00 178.16 176.03 1qpk h ASN 37 N 0.18 0.97 0.02 3.88 2.35 -1.70 -0.46 115.58 120.82 1qpk h ASN 37 Ca 0.04 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1qpk h ASN 37 Cb 0.29 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1qpk h ASN 37 CO 0.02 1.18 -0.01 0.40 -1.65 0.00 0.00 177.43 177.37 1qpk h ILE 38 N 0.76 1.05 -0.79 2.81 2.04 -0.79 -1.58 117.51 121.02 1qpk h ILE 38 Ca 0.09 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1qpk h ILE 38 Cb 0.85 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 1qpk h ILE 38 CO 0.07 0.06 0.38 -0.07 0.00 0.00 0.00 178.15 178.59 1qpk h LEU 39 N -0.13 1.03 -0.67 1.44 3.38 -1.01 0.53 115.31 119.88 1qpk h LEU 39 Ca -0.00 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.87 1qpk h LEU 39 Cb 0.12 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1qpk h LEU 39 CO 0.00 0.88 0.40 -0.09 0.09 0.00 0.00 178.44 179.72 1qpk h ARG 40 N 1.11 0.75 -0.36 1.13 2.43 -0.91 -0.98 114.38 117.55 1qpk h ARG 40 Ca 0.27 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1qpk h ARG 40 Cb 0.12 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 1qpk h ARG 40 CO -0.03 0.49 -0.15 1.96 -1.51 0.00 0.00 179.97 180.73 1qpk h GLN 41 N 0.77 0.64 -0.00 0.20 4.20 -0.74 -3.19 115.11 116.99 1qpk h GLN 41 Ca 0.28 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1qpk h GLN 41 Cb 0.08 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1qpk h GLN 41 CO -0.13 0.77 -0.28 1.04 -0.67 0.00 0.00 178.83 179.55 1qpk n GLN 42 N -4.16 0.24 -0.28 1.46 1.13 0.13 -4.59 117.38 111.30 1qpk n GLN 42 Ca 0.01 -0.11 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1qpk n GLN 42 Cb 0.37 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.29 1qpk n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qpk h ALA 43 N 3.20 0.33 -0.72 -1.58 0.00 -1.19 0.55 119.26 119.86 1qpk h ALA 43 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1qpk h ALA 43 Cb 0.47 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1qpk h ALA 43 CO 0.00 -0.51 0.37 0.00 0.00 0.00 0.00 179.25 179.11 1qpk h ALA 44 N 1.54 1.29 -0.01 0.00 0.00 -1.84 -1.16 119.26 119.08 1qpk h ALA 44 Ca 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1qpk h ALA 44 Cb 0.59 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1qpk h ALA 44 CO -0.83 0.56 -0.00 1.15 0.00 0.00 0.00 179.25 180.12 1qpk h THR 45 N 1.01 1.32 -0.23 0.00 2.02 -1.55 0.23 112.91 115.71 1qpk h THR 45 Ca 0.25 -0.96 0.05 0.00 0.77 0.00 0.00 66.41 66.52 1qpk h THR 45 Cb 0.07 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 1qpk h THR 45 CO -0.04 0.25 -0.07 0.40 0.37 0.00 0.00 175.52 176.43 1qpk h ILE 46 N -0.38 0.74 -0.71 3.11 2.04 -0.77 0.27 117.51 121.82 1qpk h ILE 46 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1qpk h ILE 46 Cb 0.41 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1qpk h ILE 46 CO 0.00 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.46 1qpk h ALA 47 N 1.19 0.92 -0.27 1.87 0.00 -1.16 -2.20 119.26 119.61 1qpk h ALA 47 Ca 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1qpk h ALA 47 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1qpk h ALA 47 CO -0.25 0.51 -0.11 0.00 0.00 0.00 0.00 179.25 179.40 1qpk h ALA 48 N 1.15 1.32 0.00 0.00 0.00 0.30 -2.61 119.26 119.41 1qpk h ALA 48 Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qpk h ALA 48 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qpk h ALA 48 CO -0.03 0.46 0.00 -0.44 0.00 0.00 0.00 179.25 179.24 1qpk h ASP 49 N 0.41 0.00 0.00 0.00 3.32 0.16 -3.46 116.42 116.86 1qpk h ASP 49 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1qpk h ASP 49 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1qpk h ASP 49 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1qpk n GLY 50 N -0.61 0.91 3.74 2.75 0.00 -0.98 -4.80 105.19 106.20 1qpk n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1qpk n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qpk s PHE 51 N -2.00 3.60 -0.14 1.61 0.08 -1.21 -4.85 117.98 115.07 1qpk s PHE 51 Ca 0.00 1.60 0.22 0.00 0.12 0.00 0.00 56.93 58.87 1qpk s PHE 51 Cb 0.00 -3.27 -0.16 0.00 -0.57 0.00 0.00 43.02 39.02 1qpk s PHE 51 CO 0.00 -0.60 0.77 -1.13 -0.10 0.00 0.00 175.22 174.16 1qpk n SER 52 N 2.39 0.48 -3.65 1.36 3.41 -0.26 -4.64 113.62 112.71 1qpk n SER 52 Ca 0.03 0.19 -0.14 0.00 -0.26 0.00 0.00 58.87 58.68 1qpk n SER 52 Cb 0.46 1.08 -0.07 0.00 -0.26 0.00 0.00 64.21 65.42 1qpk n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qpk s ALA 53 N -3.37 -1.18 -0.08 7.33 0.00 -1.15 -1.20 121.76 122.12 1qpk s ALA 53 Ca -0.04 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.57 1qpk s ALA 53 Cb 0.11 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1qpk s ALA 53 CO 0.84 -0.38 -0.19 -1.50 0.00 0.00 0.00 175.76 174.53 1qpk s ILE 54 N -1.78 1.65 -0.47 0.00 2.07 -0.46 -0.67 121.20 121.53 1qpk s ILE 54 Ca -0.09 -0.79 -0.20 0.00 -1.41 0.00 0.00 60.65 58.15 1qpk s ILE 54 Cb -0.02 -1.44 0.04 0.00 0.13 0.00 0.00 42.46 41.17 1qpk s ILE 54 CO 0.03 0.47 0.65 0.86 -1.91 0.00 0.00 174.94 175.04 1qpk s TRP 55 N 0.37 3.04 0.40 3.50 -0.00 0.43 -0.85 118.94 125.84 1qpk s TRP 55 Ca -0.14 -0.23 -0.13 0.00 -0.00 0.00 0.00 56.10 55.60 1qpk s TRP 55 Cb -0.16 -3.45 -0.07 0.00 -0.00 0.00 0.00 33.47 29.78 1qpk s TRP 55 CO 0.06 -0.96 0.79 -1.64 -0.00 0.00 0.00 176.95 175.20 1qpk s MET 56 N 2.82 3.88 1.11 5.86 -1.94 0.01 -0.58 119.30 130.46 1qpk s MET 56 Ca 0.20 0.61 -0.14 0.00 -1.71 0.00 0.00 55.69 54.65 1qpk s MET 56 Cb -0.16 -2.36 0.25 0.00 2.01 0.00 0.00 34.83 34.57 1qpk s MET 56 CO 0.16 -0.02 1.06 -1.25 -0.01 0.00 0.00 175.02 174.97 1qpk s PRO 57 N -3.62 -0.46 0.13 2.03 0.04 -1.26 -2.25 135.00 129.62 1qpk s PRO 57 Ca 0.53 0.53 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 1qpk s PRO 57 Cb -0.10 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 1qpk s PRO 57 CO 0.27 -3.33 1.62 0.08 0.04 0.00 0.00 177.00 175.68 1qpk s VAL 58 N -2.75 2.72 -0.35 -0.36 1.01 -1.25 -4.03 120.40 115.37 1qpk s VAL 58 Ca 0.67 0.41 0.26 0.00 0.00 0.00 0.00 61.98 63.32 1qpk s VAL 58 Cb -0.20 -3.26 0.34 0.00 0.00 0.00 0.00 36.38 33.26 1qpk s VAL 58 CO 0.60 0.02 1.75 1.55 0.00 0.00 0.00 175.10 179.02 1qpk h PRO 59 N 7.42 0.00 -6.66 2.72 0.13 -1.91 -3.45 132.00 130.25 1qpk h PRO 59 Ca -0.43 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.18 1qpk h PRO 59 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1qpk h PRO 59 CO 0.92 0.00 0.53 -1.58 -0.23 0.00 0.00 178.00 177.65 1qpk s TRP 60 N -3.32 3.48 0.29 1.56 0.51 -1.26 -4.34 118.94 115.85 1qpk s TRP 60 Ca 0.06 1.48 -0.29 0.00 -2.12 0.00 0.00 56.10 55.22 1qpk s TRP 60 Cb 0.08 -3.38 -0.10 0.00 -0.81 0.00 0.00 33.47 29.25 1qpk s TRP 60 CO 0.60 -1.02 1.34 -0.98 -0.51 0.00 0.00 176.95 176.38 1qpk s ARG 61 N -0.26 4.34 -0.13 4.98 1.70 -0.18 -4.78 118.95 124.62 1qpk s ARG 61 Ca 0.52 2.20 -0.02 0.00 -0.47 0.00 0.00 55.73 57.96 1qpk s ARG 61 Cb -0.32 -3.10 0.04 0.00 -0.57 0.00 0.00 34.95 31.00 1qpk s ARG 61 CO 0.36 -0.25 -0.00 0.34 -1.08 0.00 0.00 175.30 174.67 1qpk s ASP 62 N -0.14 2.23 -0.14 -2.89 3.68 -1.26 -2.05 116.67 116.09 1qpk s ASP 62 Ca 0.53 -0.42 0.18 0.00 2.13 0.00 0.00 52.55 54.97 1qpk s ASP 62 Cb -0.40 -0.59 0.35 0.00 -1.45 0.00 0.00 42.92 40.84 1qpk s ASP 62 CO 0.48 -0.22 1.22 0.49 0.13 0.00 0.00 175.17 177.26 1qpk n PHE 63 N 5.06 0.24 -0.98 -5.34 0.99 -1.26 -4.11 117.46 112.07 1qpk n PHE 63 Ca -0.09 -0.97 -0.29 0.00 -0.00 0.00 0.00 57.45 56.11 1qpk n PHE 63 Cb 0.49 -0.19 0.20 0.00 -1.00 0.00 0.00 39.48 38.97 1qpk n PHE 63 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1qpk s SER 64 N -2.63 2.19 -0.27 4.37 1.04 -1.26 -4.82 113.70 112.31 1qpk s SER 64 Ca 0.34 1.33 -0.21 0.00 0.48 0.00 0.00 55.95 57.89 1qpk s SER 64 Cb 0.29 -2.02 0.08 0.00 0.10 0.00 0.00 66.02 64.47 1qpk s SER 64 CO 0.04 -3.42 0.72 -0.55 0.98 0.00 0.00 173.24 171.02 1qpk s SER 65 N -3.16 -0.82 0.05 7.02 0.15 -1.26 -2.93 113.70 112.74 1qpk s SER 65 Ca 0.66 1.45 -0.09 0.00 0.70 0.00 0.00 55.95 58.67 1qpk s SER 65 Cb -0.20 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1qpk s SER 65 CO 0.60 -0.24 0.18 -1.66 1.20 0.00 0.00 173.24 173.32 1qpk s TRP 66 N 0.92 0.08 -0.11 3.44 1.48 -0.78 -4.98 118.94 119.00 1qpk s TRP 66 Ca -0.04 -0.34 -0.05 0.00 -1.06 0.00 0.00 56.10 54.61 1qpk s TRP 66 Cb -0.05 -0.05 0.05 0.00 -1.16 0.00 0.00 33.47 32.26 1qpk s TRP 66 CO -0.08 -0.44 0.25 0.45 -4.06 0.00 0.00 176.95 173.07 1qpk s SER 67 N -2.19 -0.13 -0.49 -2.66 0.15 -1.26 -2.07 113.70 105.04 1qpk s SER 67 Ca -0.04 0.53 0.07 0.00 0.70 0.00 0.00 55.95 57.21 1qpk s SER 67 Cb -0.00 0.46 0.24 0.00 -1.71 0.00 0.00 66.02 65.01 1qpk s SER 67 CO -0.05 -0.18 0.59 -0.67 1.20 0.00 0.00 173.24 174.13 1qpk n ASP 68 N 4.45 1.52 0.00 5.45 4.64 0.84 -4.99 116.55 128.47 1qpk n ASP 68 Ca -0.22 -2.96 0.00 0.00 -1.38 0.00 0.00 54.79 50.23 1qpk n ASP 68 Cb 0.52 -0.65 0.00 0.00 -1.04 0.00 0.00 41.12 39.95 1qpk n ASP 68 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1qpk n GLY 69 N 1.32 0.27 0.10 0.27 0.00 -1.26 -1.47 105.19 104.42 1qpk n GLY 69 Ca 0.25 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.80 1qpk n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qpk h SER 70 N 0.00 0.24 -4.14 1.61 4.64 -2.03 -3.45 113.55 110.43 1qpk h SER 70 Ca 0.00 -0.58 -0.46 0.00 -0.47 0.00 0.00 61.79 60.28 1qpk h SER 70 Cb 0.00 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1qpk h SER 70 CO 0.00 0.77 0.36 -0.54 -0.87 0.00 0.00 176.83 176.56 1qpk s LYS 71 N -3.92 4.02 0.14 4.77 1.02 -0.54 -5.04 119.74 120.19 1qpk s LYS 71 Ca -0.15 1.05 -0.20 0.00 0.02 0.00 0.00 55.97 56.68 1qpk s LYS 71 Cb 0.03 -2.15 0.05 0.00 -0.52 0.00 0.00 37.83 35.25 1qpk s LYS 71 CO 0.73 -0.21 0.52 -1.54 -0.92 0.00 0.00 175.35 173.92 1qpk s SER 72 N -2.68 -0.43 0.02 2.83 1.04 -1.26 -0.11 113.70 113.12 1qpk s SER 72 Ca 0.61 -0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.88 1qpk s SER 72 Cb -0.10 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1qpk s SER 72 CO 0.24 -0.90 0.22 0.61 0.98 0.00 0.00 173.24 174.40 1qpk n GLY 73 N -0.24 0.97 0.00 7.32 0.00 -0.88 -5.00 105.19 107.36 1qpk n GLY 73 Ca -0.17 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1qpk n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpk n GLY 74 N -0.16 3.89 2.65 -0.02 0.00 -1.26 -1.87 105.19 108.41 1qpk n GLY 74 Ca -0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1qpk n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpk n GLY 75 N -1.44 1.36 0.26 -0.02 0.00 -1.15 -4.91 105.19 99.30 1qpk n GLY 75 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1qpk n GLY 75 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qpk h GLU 76 N 2.99 0.00 0.00 1.61 3.07 -1.91 -3.42 114.58 116.91 1qpk h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1qpk h GLU 76 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1qpk h GLU 76 CO 0.00 0.09 0.00 0.41 -1.40 0.00 0.00 179.01 178.11 1qpk n GLY 77 N -0.17 1.10 0.00 -3.84 0.00 -1.26 -4.54 105.19 96.47 1qpk n GLY 77 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1qpk n GLY 77 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qpk n TYR 78 N 0.00 0.00 -2.59 1.61 4.02 -1.26 -3.25 117.16 115.68 1qpk n TYR 78 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1qpk n TYR 78 Cb 0.00 -0.16 0.02 0.00 -0.02 0.00 0.00 39.34 39.18 1qpk n TYR 78 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1qpk n PHE 79 N -1.16 1.92 -1.71 -0.72 7.35 -1.26 -4.93 117.46 116.95 1qpk n PHE 79 Ca 0.15 -2.82 -0.35 0.00 -0.76 0.00 0.00 57.45 53.67 1qpk n PHE 79 Cb 0.15 -0.27 0.06 0.00 0.35 0.00 0.00 39.48 39.77 1qpk n PHE 79 CO 0.00 0.00 0.00 1.67 -0.76 0.00 0.00 176.76 177.67 1qpk s TRP 80 N -3.32 2.26 -0.13 -5.13 1.48 -1.20 -4.19 118.94 108.71 1qpk s TRP 80 Ca 0.34 1.56 0.06 0.00 -1.06 0.00 0.00 56.10 57.00 1qpk s TRP 80 Cb 0.43 -3.44 -0.09 0.00 -1.16 0.00 0.00 33.47 29.22 1qpk s TRP 80 CO -0.04 -2.34 0.19 -2.39 -4.06 0.00 0.00 176.95 168.32 1qpk n HIS 81 N -2.23 0.00 -4.10 1.66 1.44 -0.87 0.58 115.22 111.70 1qpk n HIS 81 Ca 0.13 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.73 1qpk n HIS 81 Cb 0.50 -0.08 -0.08 0.00 0.12 0.00 0.00 29.99 30.45 1qpk n HIS 81 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1qpk s ASP 82 N -2.25 0.06 0.00 4.39 -0.00 -1.26 -4.31 116.67 113.31 1qpk s ASP 82 Ca -0.00 -1.18 0.24 0.00 -0.00 0.00 0.00 52.55 51.61 1qpk s ASP 82 Cb 0.04 0.49 0.22 0.00 -0.00 0.00 0.00 42.92 43.67 1qpk s ASP 82 CO 0.26 -1.00 1.24 0.49 -0.00 0.00 0.00 175.17 176.16 1qpk n PHE 83 N -0.33 0.00 -1.70 4.23 3.72 -1.26 -3.10 117.46 119.01 1qpk n PHE 83 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1qpk n PHE 83 Cb 0.64 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 1qpk n PHE 83 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1qpk n ASN 84 N -0.03 3.41 -0.52 4.37 2.85 -1.26 -4.70 115.26 119.38 1qpk n ASN 84 Ca 0.11 1.12 0.09 0.00 -0.11 0.00 0.00 54.58 55.79 1qpk n ASN 84 Cb 0.45 -1.51 0.35 0.00 1.24 0.00 0.00 39.78 40.30 1qpk n ASN 84 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1qpk n LYS 85 N 2.62 1.67 -3.17 1.20 4.76 -1.26 -1.02 118.16 122.96 1qpk n LYS 85 Ca 0.12 -1.02 -0.45 0.00 -2.87 0.00 0.00 58.31 54.09 1qpk n LYS 85 Cb 0.33 -1.36 -0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1qpk n LYS 85 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1qpk s ASN 86 N -1.46 7.12 0.00 4.39 -0.87 -1.26 -3.59 114.94 119.27 1qpk s ASN 86 Ca 0.30 -3.17 0.00 0.00 -1.57 0.00 0.00 52.86 48.42 1qpk s ASN 86 Cb 0.16 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 39.10 1qpk s ASN 86 CO 0.24 -0.54 0.00 0.61 -2.57 0.00 0.00 177.10 174.84 1qpk n GLY 87 N 3.54 6.92 0.00 0.66 0.00 -1.16 -4.84 105.19 110.31 1qpk n GLY 87 Ca 0.27 -2.02 0.08 0.00 0.00 0.00 0.00 46.02 44.35 1qpk n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qpk n ARG 88 N 0.00 0.31 -0.00 1.61 1.74 -1.26 -2.76 116.66 116.30 1qpk n ARG 88 Ca 0.00 0.10 0.10 0.00 -0.77 0.00 0.00 57.85 57.28 1qpk n ARG 88 Cb 0.00 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 1qpk n ARG 88 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1qpk n TYR 89 N -1.21 0.00 -0.01 -1.55 4.01 -1.26 -1.86 117.16 115.29 1qpk n TYR 89 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1qpk n TYR 89 Cb 0.11 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1qpk n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qpk n GLY 90 N 1.44 -1.17 3.98 2.72 0.00 -1.11 -2.02 105.19 109.03 1qpk n GLY 90 Ca 0.02 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 1qpk n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qpk s SER 91 N -0.02 3.80 0.11 1.61 1.04 -1.26 -2.99 113.70 115.99 1qpk s SER 91 Ca 0.00 -0.23 -0.19 0.00 0.48 0.00 0.00 55.95 56.01 1qpk s SER 91 Cb 0.00 0.03 -0.07 0.00 0.10 0.00 0.00 66.02 66.08 1qpk s SER 91 CO 0.00 -2.25 1.68 -0.78 0.98 0.00 0.00 173.24 172.87 1qpk h ASP 92 N -0.96 0.30 -0.64 7.02 3.58 -1.95 -1.64 116.42 122.13 1qpk h ASP 92 Ca -0.38 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 56.93 1qpk h ASP 92 Cb 1.25 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.19 1qpk h ASP 92 CO 0.37 0.34 0.32 0.00 -2.88 0.00 0.00 179.24 177.39 1qpk h ALA 93 N 0.97 0.82 -0.60 -0.78 0.00 -1.94 -2.12 119.26 115.62 1qpk h ALA 93 Ca 0.08 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1qpk h ALA 93 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1qpk h ALA 93 CO -0.01 0.37 0.10 1.96 0.00 0.00 0.00 179.25 181.67 1qpk h GLN 94 N 0.88 0.96 -0.07 0.00 4.20 -1.86 -2.06 115.11 117.16 1qpk h GLN 94 Ca 0.22 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.72 1qpk h GLN 94 Cb 0.09 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1qpk h GLN 94 CO -0.03 0.89 -0.05 1.25 -0.67 0.00 0.00 178.83 180.21 1qpk h LEU 95 N 0.91 -0.17 -0.65 1.46 6.46 -1.07 0.92 115.31 123.18 1qpk h LEU 95 Ca 0.19 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 1qpk h LEU 95 Cb 0.39 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1qpk h LEU 95 CO 0.01 -0.08 0.42 0.03 -0.62 0.00 0.00 178.44 178.20 1qpk h ARG 96 N -0.06 0.81 -0.41 1.25 3.08 -1.24 0.57 114.38 118.38 1qpk h ARG 96 Ca 0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1qpk h ARG 96 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1qpk h ARG 96 CO -0.11 0.54 0.09 1.96 -1.07 0.00 0.00 179.97 181.38 1qpk h GLN 97 N 0.84 0.67 0.25 0.04 4.20 -1.00 -0.88 115.11 119.22 1qpk h GLN 97 Ca 0.25 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1qpk h GLN 97 Cb -0.05 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1qpk h GLN 97 CO -0.07 0.69 -0.12 0.00 -0.67 0.00 0.00 178.83 178.66 1qpk h ALA 98 N 0.95 -0.33 -0.98 3.87 0.00 -0.40 -1.49 119.26 120.88 1qpk h ALA 98 Ca 0.13 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1qpk h ALA 98 Cb 0.33 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1qpk h ALA 98 CO 0.00 -0.64 0.63 0.00 0.00 0.00 0.00 179.25 179.24 1qpk h ALA 99 N 0.32 1.35 -0.42 0.00 0.00 -0.87 0.53 119.26 120.17 1qpk h ALA 99 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1qpk h ALA 99 Cb 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qpk h ALA 99 CO 0.06 0.44 -0.20 1.03 0.00 0.00 0.00 179.25 180.57 1qpk h SER 100 N 1.16 0.85 -0.21 0.00 0.87 -1.06 -0.41 113.55 114.74 1qpk h SER 100 Ca 0.42 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1qpk h SER 100 Cb 0.14 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1qpk h SER 100 CO -0.16 1.02 -0.19 0.00 -0.53 0.00 0.00 176.83 176.97 1qpk h ALA 101 N 1.04 0.31 0.39 6.23 0.00 -0.39 0.69 119.26 127.53 1qpk h ALA 101 Ca 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1qpk h ALA 101 Cb 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1qpk h ALA 101 CO 0.06 0.23 -0.19 -0.07 0.00 0.00 0.00 179.25 179.27 1qpk h LEU 102 N 0.18 -0.45 -0.43 0.00 3.38 -0.85 -1.57 115.31 115.58 1qpk h LEU 102 Ca 0.04 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1qpk h LEU 102 Cb 0.72 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 1qpk h LEU 102 CO 0.05 -0.26 0.07 1.23 0.09 0.00 0.00 178.44 179.62 1qpk h GLY 103 N -0.61 0.50 0.85 0.83 0.00 -1.02 -0.04 103.07 103.58 1qpk h GLY 103 Ca -0.05 -0.01 0.14 0.00 0.00 0.00 0.00 47.33 47.41 1qpk h GLY 103 CO 0.09 -0.06 0.44 -1.33 0.00 0.00 0.00 176.54 175.68 1qpk h GLY 104 N 0.20 0.40 1.07 4.60 0.00 -0.57 0.24 103.07 109.01 1qpk h GLY 104 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1qpk h GLY 104 CO -0.29 0.04 -0.14 0.00 0.00 0.00 0.00 176.54 176.15 1qpk n ALA 105 N -2.57 2.79 -0.96 3.60 0.00 -0.41 -4.92 120.51 118.04 1qpk n ALA 105 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1qpk n ALA 105 Cb 0.53 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1qpk n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qpk n GLY 106 N 1.34 0.89 3.45 0.00 0.00 0.83 -4.87 105.19 106.83 1qpk n GLY 106 Ca 0.12 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 1qpk n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpk s VAL 107 N -2.00 4.41 0.36 1.61 1.01 -0.16 -4.82 120.40 120.81 1qpk s VAL 107 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.48 1qpk s VAL 107 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 33.17 1qpk s VAL 107 CO 0.00 0.26 1.28 -0.54 0.00 0.00 0.00 175.10 176.10 1qpk s LYS 108 N 1.62 4.21 -0.26 2.72 1.02 -0.34 -3.17 119.74 125.53 1qpk s LYS 108 Ca 0.06 2.13 -0.10 0.00 0.02 0.00 0.00 55.97 58.09 1qpk s LYS 108 Cb -0.16 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1qpk s LYS 108 CO 0.05 -0.28 0.14 0.14 -0.92 0.00 0.00 175.35 174.48 1qpk s VAL 109 N -1.21 4.97 -0.16 3.17 -7.23 -1.26 -1.36 120.40 117.32 1qpk s VAL 109 Ca 0.52 0.05 -0.04 0.00 -1.81 0.00 0.00 61.98 60.70 1qpk s VAL 109 Cb -0.38 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.19 1qpk s VAL 109 CO 0.49 0.29 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.79 1qpk s LEU 110 N 1.60 3.30 -0.13 1.32 1.43 -0.03 0.55 118.68 126.72 1qpk s LEU 110 Ca 0.07 -0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 1qpk s LEU 110 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1qpk s LEU 110 CO 0.08 0.16 0.16 -0.31 0.23 0.00 0.00 176.35 176.67 1qpk s TYR 111 N 0.40 3.57 -0.24 0.29 1.51 -0.92 -0.81 117.35 121.16 1qpk s TYR 111 Ca -0.03 0.53 -0.29 0.00 -1.01 0.00 0.00 57.07 56.27 1qpk s TYR 111 Cb -0.14 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.71 1qpk s TYR 111 CO 0.03 0.64 1.03 0.34 -1.11 0.00 0.00 175.55 176.48 1qpk s ASP 112 N -0.76 7.08 -0.03 2.29 3.68 -0.95 -1.39 116.67 126.58 1qpk s ASP 112 Ca 0.15 1.34 0.06 0.00 2.13 0.00 0.00 52.55 56.23 1qpk s ASP 112 Cb -0.12 -2.54 -0.01 0.00 -1.45 0.00 0.00 42.92 38.80 1qpk s ASP 112 CO 0.04 -0.68 -0.21 0.68 0.13 0.00 0.00 175.17 175.13 1qpk s VAL 113 N 3.21 1.70 -0.69 1.11 -7.23 -0.49 -3.93 120.40 114.08 1qpk s VAL 113 Ca 0.44 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.75 1qpk s VAL 113 Cb -0.15 -1.42 0.17 0.00 0.56 0.00 0.00 36.38 35.54 1qpk s VAL 113 CO 0.07 0.48 0.49 0.52 -0.31 0.00 0.00 175.10 176.35 1qpk n VAL 114 N 2.70 1.49 0.23 1.32 0.31 -1.26 -1.83 118.33 121.28 1qpk n VAL 114 Ca -0.16 -4.79 0.12 0.00 -0.01 0.00 0.00 64.34 59.50 1qpk n VAL 114 Cb 0.53 -2.16 0.34 0.00 -0.91 0.00 0.00 33.84 31.64 1qpk n VAL 114 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1qpk h PRO 115 N 5.37 0.00 -0.28 5.55 0.11 -1.97 -3.38 132.00 137.40 1qpk h PRO 115 Ca 0.16 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.33 1qpk h PRO 115 Cb 0.76 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 1qpk h PRO 115 CO 0.70 0.09 -0.11 -0.97 -0.21 0.00 0.00 178.00 177.50 1qpk h ASN 116 N 0.00 -0.38 -5.43 -2.05 -1.24 -1.90 -3.44 115.58 101.13 1qpk h ASN 116 Ca -0.00 0.10 -0.18 0.00 0.71 0.00 0.00 56.30 56.93 1qpk h ASN 116 Cb 0.88 0.22 -0.10 0.00 0.73 0.00 0.00 38.32 40.05 1qpk h ASN 116 CO 0.01 -0.14 -0.27 -1.38 -1.29 0.00 0.00 177.43 174.36 1qpk s HIS 117 N -6.19 0.82 0.11 0.67 -3.43 -1.26 -1.65 115.29 104.36 1qpk s HIS 117 Ca -0.14 -1.09 -0.11 0.00 -0.80 0.00 0.00 55.06 52.92 1qpk s HIS 117 Cb 0.12 -0.11 0.01 0.00 -1.43 0.00 0.00 32.58 31.18 1qpk s HIS 117 CO 0.69 -0.95 0.26 0.00 -2.00 0.00 0.00 174.74 172.75 1qpk s MET 118 N -3.73 0.96 -1.16 -0.38 0.23 -1.11 -4.83 119.30 109.28 1qpk s MET 118 Ca 0.30 -0.92 -0.21 0.00 -1.03 0.00 0.00 55.69 53.82 1qpk s MET 118 Cb 0.01 0.38 0.01 0.00 -1.53 0.00 0.00 34.83 33.71 1qpk s MET 118 CO 0.14 -0.33 1.75 1.21 -2.03 0.00 0.00 175.02 175.76 1qpk s ASN 119 N -2.86 6.09 0.17 -1.18 3.04 0.20 -4.78 114.94 115.62 1qpk s ASN 119 Ca 0.06 -1.81 -0.16 0.00 0.04 0.00 0.00 52.86 50.98 1qpk s ASN 119 Cb 0.04 -2.58 0.12 0.00 -1.54 0.00 0.00 41.25 37.29 1qpk s ASN 119 CO -0.10 -1.93 1.66 -0.09 -3.04 0.00 0.00 177.10 173.61 1qpk h ARG 120 N 9.06 0.01 0.00 0.43 2.43 -1.89 -2.56 114.38 121.85 1qpk h ARG 120 Ca 0.29 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1qpk h ARG 120 Cb 0.93 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1qpk h ARG 120 CO 1.36 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 180.24 1qpk n GLY 121 N -1.33 -1.34 3.68 2.80 0.00 -1.26 -4.87 105.19 102.87 1qpk n GLY 121 Ca 0.03 -0.01 -0.51 0.00 0.00 0.00 0.00 46.02 45.53 1qpk n GLY 121 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1qpk n TYR 122 N -1.89 2.24 -0.02 1.61 4.19 -0.97 -4.86 117.16 117.46 1qpk n TYR 122 Ca 0.04 0.14 -0.11 0.00 3.31 0.00 0.00 57.90 61.28 1qpk n TYR 122 Cb 0.28 -2.61 -0.05 0.00 0.49 0.00 0.00 39.34 37.45 1qpk n TYR 122 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 1qpk h PRO 123 N 8.88 0.19 -4.40 2.98 0.11 -1.90 -3.38 132.00 134.48 1qpk h PRO 123 Ca -0.47 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 64.92 1qpk h PRO 123 Cb 1.29 -0.04 -0.35 0.00 0.11 0.00 0.00 31.00 32.01 1qpk h PRO 123 CO 0.96 0.19 -0.53 0.34 -0.21 0.00 0.00 178.00 178.74 1qpk s ASP 124 N -5.39 5.25 0.06 -2.05 2.15 -1.26 -5.06 116.67 110.37 1qpk s ASP 124 Ca -0.13 -2.11 -0.03 0.00 0.43 0.00 0.00 52.55 50.71 1qpk s ASP 124 Cb 0.07 -1.83 -0.03 0.00 -0.30 0.00 0.00 42.92 40.83 1qpk s ASP 124 CO 0.69 -0.53 0.03 -1.59 -0.17 0.00 0.00 175.17 173.60 1qpk s LYS 125 N 1.02 0.69 0.00 4.34 -2.85 -1.26 -5.02 119.74 116.65 1qpk s LYS 125 Ca 0.09 -1.17 0.26 0.00 -1.00 0.00 0.00 55.97 54.15 1qpk s LYS 125 Cb -0.23 0.24 0.76 0.00 -2.06 0.00 0.00 37.83 36.55 1qpk s LYS 125 CO -0.04 -0.16 1.57 0.39 0.10 0.00 0.00 175.35 177.21 1qpk n GLU 126 N 0.06 0.92 -4.03 1.78 1.02 -1.26 -4.75 120.64 114.38 1qpk n GLU 126 Ca -0.14 -0.55 -0.33 0.00 -0.02 0.00 0.00 57.16 56.12 1qpk n GLU 126 Cb 0.61 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.40 1qpk n GLU 126 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1qpk s ILE 127 N -2.46 2.39 -0.28 -3.67 1.01 -1.26 -5.07 121.20 111.86 1qpk s ILE 127 Ca 0.25 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1qpk s ILE 127 Cb 0.19 -2.35 0.08 0.00 0.01 0.00 0.00 42.46 40.40 1qpk s ILE 127 CO 0.50 0.03 0.01 0.20 0.00 0.00 0.00 174.94 175.69 1qpk s ASN 128 N 1.17 4.16 -0.31 3.58 -0.87 -1.26 -4.96 114.94 116.45 1qpk s ASN 128 Ca -0.06 -1.58 -0.09 0.00 -1.57 0.00 0.00 52.86 49.57 1qpk s ASN 128 Cb -0.19 -1.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.81 1qpk s ASN 128 CO -0.05 -0.32 0.13 -0.76 -2.57 0.00 0.00 177.10 173.53 1qpk s LEU 129 N 1.31 4.08 0.88 0.60 1.43 -1.26 -5.08 118.68 120.64 1qpk s LEU 129 Ca 0.03 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1qpk s LEU 129 Cb -0.18 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.19 1qpk s LEU 129 CO -0.12 -0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.21 1qpk s PRO 130 N 1.58 1.40 0.59 1.29 0.04 -1.26 -5.03 135.00 133.61 1qpk s PRO 130 Ca 0.04 0.52 -0.04 0.00 0.04 0.00 0.00 61.00 61.55 1qpk s PRO 130 Cb -0.17 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1qpk s PRO 130 CO 0.05 -2.06 0.88 0.00 0.04 0.00 0.00 177.00 175.90 1qpk s ALA 131 N -3.15 3.42 -0.66 8.56 0.00 -1.26 -4.44 121.76 124.24 1qpk s ALA 131 Ca 0.63 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1qpk s ALA 131 Cb -0.16 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1qpk s ALA 131 CO 0.55 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1qpk n GLY 132 N -2.56 0.86 0.00 0.00 0.00 -1.26 -4.90 105.19 97.34 1qpk n GLY 132 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1qpk n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qpk n GLN 133 N -2.80 0.65 -1.08 1.61 6.02 -1.26 -5.00 117.38 115.52 1qpk n GLN 133 Ca -0.06 -0.74 -0.03 0.00 -0.01 0.00 0.00 57.00 56.16 1qpk n GLN 133 Cb 0.21 -0.83 -0.01 0.00 1.02 0.00 0.00 30.24 30.62 1qpk n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qpk n GLY 134 N -0.16 0.60 0.21 1.08 0.00 -1.26 -4.93 105.19 100.72 1qpk n GLY 134 Ca 0.00 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1qpk n GLY 134 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qpk h PHE 135 N 0.00 0.00 -3.68 1.61 0.04 -1.91 -3.43 116.94 109.58 1qpk h PHE 135 Ca -0.06 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.04 1qpk h PHE 135 Cb 0.19 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.14 1qpk h PHE 135 CO 0.08 0.00 -0.84 -1.58 -0.60 0.00 0.00 178.31 175.37 1qpk s TRP 136 N -3.22 2.37 0.21 -0.55 0.52 -1.26 -1.03 118.94 115.98 1qpk s TRP 136 Ca 0.07 -0.34 -0.10 0.00 0.02 0.00 0.00 56.10 55.74 1qpk s TRP 136 Cb 0.06 -1.25 0.20 0.00 -1.15 0.00 0.00 33.47 31.33 1qpk s TRP 136 CO 0.68 0.39 1.85 -0.09 0.02 0.00 0.00 176.95 179.79 1qpk h ARG 137 N 3.66 0.83 0.00 4.98 2.43 -0.13 -1.31 114.38 124.84 1qpk h ARG 137 Ca -0.50 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1qpk h ARG 137 Cb 1.18 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1qpk h ARG 137 CO 0.43 0.55 0.00 0.27 -1.51 0.00 0.00 179.97 179.71 1qpk n ASN 138 N -4.67 0.00 0.24 -3.80 6.94 -1.26 -2.51 115.26 110.20 1qpk n ASN 138 Ca 0.08 -1.27 0.15 0.00 -0.02 0.00 0.00 54.58 53.51 1qpk n ASN 138 Cb 0.09 0.00 0.43 0.00 -2.36 0.00 0.00 39.78 37.94 1qpk n ASN 138 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1qpk h ASP 139 N 0.00 0.00 -1.76 0.53 3.45 -1.61 -3.45 116.42 113.58 1qpk h ASP 139 Ca 0.00 0.00 -0.58 0.00 0.43 0.00 0.00 57.03 56.88 1qpk h ASP 139 Cb 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.67 1qpk h ASP 139 CO 0.00 0.00 -0.57 0.00 -1.57 0.00 0.00 179.24 177.10 1qpk s ALA 141 N -2.58 3.64 -0.42 0.00 0.00 -1.26 -4.97 121.76 116.17 1qpk s ALA 141 Ca 0.37 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.71 1qpk s ALA 141 Cb 0.03 -3.57 0.12 0.00 0.00 0.00 0.00 23.12 19.70 1qpk s ALA 141 CO 0.20 -0.77 0.18 0.34 0.00 0.00 0.00 175.76 175.71 1qpk s ASP 142 N 0.36 4.10 0.06 0.00 3.68 -1.26 -4.56 116.67 119.05 1qpk s ASP 142 Ca 0.59 -2.46 -0.27 0.00 2.13 0.00 0.00 52.55 52.55 1qpk s ASP 142 Cb -0.43 -1.27 -0.17 0.00 -1.45 0.00 0.00 42.92 39.60 1qpk s ASP 142 CO 0.44 -0.31 1.59 -0.65 0.13 0.00 0.00 175.17 176.37 1qpk h PRO 143 N 7.09 -0.40 0.00 4.34 0.11 -1.93 -3.48 132.00 137.72 1qpk h PRO 143 Ca -0.06 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1qpk h PRO 143 Cb 0.95 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1qpk h PRO 143 CO 0.54 -0.21 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 1qpk n GLY 144 N -1.04 3.04 3.43 -0.55 0.00 -1.26 -5.07 105.19 103.74 1qpk n GLY 144 Ca -0.10 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.94 1qpk n GLY 144 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qpk n ASN 145 N 0.00 5.14 -3.54 1.61 4.05 -1.26 -4.81 115.26 116.45 1qpk n ASN 145 Ca 0.00 -2.97 -0.10 0.00 0.45 0.00 0.00 54.58 51.96 1qpk n ASN 145 Cb 0.00 -1.60 -0.02 0.00 1.23 0.00 0.00 39.78 39.39 1qpk n ASN 145 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 177.26 173.49 1qpk s TYR 146 N 2.00 -0.42 0.53 1.20 -0.85 -1.26 -4.86 117.35 113.69 1qpk s TYR 146 Ca 0.45 0.16 -0.22 0.00 -0.52 0.00 0.00 57.07 56.94 1qpk s TYR 146 Cb -0.00 0.59 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 1qpk s TYR 146 CO 0.02 -0.89 1.28 -2.30 -1.52 0.00 0.00 175.55 172.14 1qpk n PRO 147 N -0.38 1.62 -1.97 -3.49 -0.02 -1.22 -4.78 135.00 124.76 1qpk n PRO 147 Ca -0.12 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1qpk n PRO 147 Cb 0.63 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1qpk n PRO 147 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1qpk n ASN 148 N -0.72 1.06 0.26 2.55 6.94 0.52 -4.96 115.26 120.90 1qpk n ASN 148 Ca 0.10 -0.98 0.15 0.00 -0.02 0.00 0.00 54.58 53.83 1qpk n ASN 148 Cb 0.44 0.00 0.63 0.00 -2.36 0.00 0.00 39.78 38.49 1qpk n ASN 148 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1qpk h ASP 149 N 0.00 0.00 -0.39 0.53 3.45 -1.92 -3.09 116.42 115.00 1qpk h ASP 149 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1qpk h ASP 149 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1qpk h ASP 149 CO 0.00 0.06 0.00 0.00 -1.57 0.00 0.00 179.24 177.73 1qpk s ASP 151 N -1.00 -0.78 -0.05 0.00 3.68 -1.17 -3.77 116.67 113.57 1qpk s ASP 151 Ca 0.26 0.45 0.01 0.00 2.13 0.00 0.00 52.55 55.39 1qpk s ASP 151 Cb 0.14 1.64 0.08 0.00 -1.45 0.00 0.00 42.92 43.33 1qpk s ASP 151 CO 0.18 -0.15 1.07 -0.90 0.13 0.00 0.00 175.17 175.51 1qpk n ASP 152 N 5.44 2.95 -1.18 -0.34 5.68 -1.26 -0.36 116.55 127.49 1qpk n ASP 152 Ca -0.04 -2.19 -0.01 0.00 -0.50 0.00 0.00 54.79 52.05 1qpk n ASP 152 Cb 0.53 -0.54 -0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1qpk n ASP 152 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qpk n GLY 153 N 0.28 2.51 3.58 6.12 0.00 -1.23 -3.92 105.19 112.52 1qpk n GLY 153 Ca 0.07 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1qpk n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qpk s ASP 154 N -1.20 1.01 0.27 1.61 1.01 0.44 -3.46 116.67 116.35 1qpk s ASP 154 Ca 0.02 0.76 0.11 0.00 0.71 0.00 0.00 52.55 54.15 1qpk s ASP 154 Cb -0.00 -1.09 -0.05 0.00 1.01 0.00 0.00 42.92 42.79 1qpk s ASP 154 CO 0.02 -4.08 -0.14 0.00 0.21 0.00 0.00 175.17 171.17 1qpk s ARG 155 N -5.28 1.87 -0.44 8.23 1.70 -1.26 -4.45 118.95 119.32 1qpk s ARG 155 Ca 0.70 -1.63 -0.18 0.00 -0.47 0.00 0.00 55.73 54.14 1qpk s ARG 155 Cb -0.12 -1.90 0.03 0.00 -0.57 0.00 0.00 34.95 32.39 1qpk s ARG 155 CO 0.57 0.35 0.49 0.12 -1.08 0.00 0.00 175.30 175.75 1qpk s PHE 156 N -2.38 3.14 0.00 5.89 5.36 -1.26 -4.83 117.98 123.90 1qpk s PHE 156 Ca 0.30 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 1qpk s PHE 156 Cb -0.06 -3.08 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 1qpk s PHE 156 CO 0.16 -0.79 0.00 -0.89 -1.46 0.00 0.00 175.22 172.25 1qpk n ILE 157 N 5.51 0.00 0.26 3.12 5.41 -1.26 -0.96 119.36 131.44 1qpk n ILE 157 Ca -0.07 0.00 0.15 0.00 1.00 0.00 0.00 62.75 63.83 1qpk n ILE 157 Cb 0.47 0.00 0.66 0.00 -0.71 0.00 0.00 39.64 40.06 1qpk n ILE 157 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1qpk h GLY 158 N 0.00 0.00 0.00 7.39 0.00 -2.04 -3.47 103.07 104.95 1qpk h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qpk h GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1qpk n GLY 159 N -0.08 0.90 0.08 4.60 0.00 -0.14 -4.89 105.19 105.66 1qpk n GLY 159 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1qpk n GLY 159 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qpk n ASP 160 N 0.00 0.46 -0.42 1.61 5.75 -1.26 -2.67 116.55 120.02 1qpk n ASP 160 Ca 0.00 0.58 0.07 0.00 -0.01 0.00 0.00 54.79 55.43 1qpk n ASP 160 Cb 0.00 -0.69 0.03 0.00 -1.03 0.00 0.00 41.12 39.42 1qpk n ASP 160 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qpk n ALA 161 N -1.68 2.76 -2.12 2.12 0.00 -1.26 -4.90 120.51 115.43 1qpk n ALA 161 Ca 0.04 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1qpk n ALA 161 Cb 0.28 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 1qpk n ALA 161 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qpk s ASP 162 N -1.41 6.77 0.32 0.00 -0.00 -1.09 -2.76 116.67 118.49 1qpk s ASP 162 Ca 0.13 2.29 -0.13 0.00 -0.00 0.00 0.00 52.55 54.84 1qpk s ASP 162 Cb 0.11 -2.57 -0.08 0.00 -0.00 0.00 0.00 42.92 40.38 1qpk s ASP 162 CO 0.26 -0.75 0.70 -0.76 -0.00 0.00 0.00 175.17 174.62 1qpk s LEU 163 N 2.03 4.04 -1.10 1.23 1.43 -0.66 0.45 118.68 126.10 1qpk s LEU 163 Ca 0.67 1.16 -0.18 0.00 -1.03 0.00 0.00 54.13 54.75 1qpk s LEU 163 Cb -0.36 -3.97 0.12 0.00 0.03 0.00 0.00 46.19 42.01 1qpk s LEU 163 CO 0.29 -0.21 1.39 0.21 0.23 0.00 0.00 176.35 178.26 1qpk s ASN 164 N -2.47 6.78 0.58 2.29 2.47 -0.20 -4.50 114.94 119.89 1qpk s ASN 164 Ca 0.52 -2.30 0.28 0.00 0.42 0.00 0.00 52.86 51.78 1qpk s ASN 164 Cb -0.10 -2.46 1.74 0.00 -1.45 0.00 0.00 41.25 38.98 1qpk s ASN 164 CO 0.21 -1.07 2.24 0.71 -3.72 0.00 0.00 177.10 175.47 1qpk h THR 165 N 5.61 0.59 0.00 -5.21 1.35 -1.87 -1.39 112.91 111.98 1qpk h THR 165 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.13 1qpk h THR 165 Cb 0.95 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1qpk h THR 165 CO 1.27 0.00 -0.00 1.23 -0.25 0.00 0.00 175.52 177.77 1qpk h GLY 166 N 0.00 0.00 -4.46 5.82 0.00 -1.91 -3.02 103.07 99.50 1qpk h GLY 166 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.81 1qpk h GLY 166 CO -0.00 0.00 0.85 -1.58 0.00 0.00 0.00 176.54 175.81 1qpk s HIS 167 N -3.12 3.01 0.45 5.60 2.46 -0.53 -4.79 115.29 118.37 1qpk s HIS 167 Ca 0.10 0.76 0.23 0.00 0.47 0.00 0.00 55.06 56.62 1qpk s HIS 167 Cb 0.11 -3.92 1.22 0.00 -0.13 0.00 0.00 32.58 29.86 1qpk s HIS 167 CO 0.61 -3.23 1.84 -1.35 -2.47 0.00 0.00 174.74 170.14 1qpk h PRO 168 N 6.02 0.27 0.15 2.88 0.11 -1.88 0.28 132.00 139.84 1qpk h PRO 168 Ca -0.44 -0.02 -0.29 0.00 0.11 0.00 0.00 66.00 65.36 1qpk h PRO 168 Cb 1.21 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.28 1qpk h PRO 168 CO 0.86 0.18 -1.28 0.37 -0.21 0.00 0.00 178.00 177.92 1qpk h GLN 169 N 0.28 0.44 -0.11 1.05 4.15 -1.93 -2.63 115.11 116.35 1qpk h GLN 169 Ca 0.50 -0.68 -0.10 0.00 0.77 0.00 0.00 58.65 59.15 1qpk h GLN 169 Cb 1.48 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.41 1qpk h GLN 169 CO -0.16 1.31 -0.32 0.28 -1.93 0.00 0.00 178.83 178.01 1qpk h VAL 170 N 0.16 1.39 -0.48 2.39 2.07 -1.38 -2.47 116.25 117.93 1qpk h VAL 170 Ca -0.18 -1.64 0.08 0.00 0.82 0.00 0.00 66.70 65.79 1qpk h VAL 170 Cb 1.98 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 33.83 1qpk h VAL 170 CO 0.23 0.48 0.09 0.22 0.02 0.00 0.00 177.57 178.61 1qpk h TYR 171 N -0.03 0.13 -0.30 1.57 5.03 -0.38 -2.33 116.97 120.67 1qpk h TYR 171 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1qpk h TYR 171 Cb 0.93 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.21 1qpk h TYR 171 CO 0.11 -0.01 0.19 0.78 -1.32 0.00 0.00 178.16 177.91 1qpk h GLY 172 N 0.22 0.42 0.41 1.82 0.00 -1.48 -0.39 103.07 104.07 1qpk h GLY 172 Ca 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.42 1qpk h GLY 172 CO -0.32 0.16 -0.38 1.98 0.00 0.00 0.00 176.54 177.98 1qpk h MET 173 N 0.39 -0.64 -0.24 4.80 1.85 -1.14 0.14 114.93 120.09 1qpk h MET 173 Ca 0.11 0.04 0.02 0.00 -0.61 0.00 0.00 59.70 59.26 1qpk h MET 173 Cb -0.02 0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.14 1qpk h MET 173 CO -0.02 -0.43 0.11 0.74 -0.40 0.00 0.00 176.91 176.91 1qpk h PHE 174 N -0.66 0.21 -0.77 1.39 0.04 -1.30 -2.46 116.94 113.38 1qpk h PHE 174 Ca 0.01 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.90 1qpk h PHE 174 Cb 0.66 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.67 1qpk h PHE 174 CO -0.30 0.12 0.39 -0.09 -0.60 0.00 0.00 178.31 177.82 1qpk h ARG 175 N 0.24 0.60 0.00 1.51 1.12 -0.71 -0.49 114.38 116.65 1qpk h ARG 175 Ca 0.10 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.81 1qpk h ARG 175 Cb 0.03 -0.14 -0.02 0.00 -0.01 0.00 0.00 29.97 29.84 1qpk h ARG 175 CO -0.07 0.40 -0.58 -0.44 -3.11 0.00 0.00 179.97 176.17 1qpk h ASP 176 N 0.62 0.00 0.64 -3.80 3.45 -0.46 -2.71 116.42 114.15 1qpk h ASP 176 Ca 0.40 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.68 1qpk h ASP 176 Cb 0.48 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 1qpk h ASP 176 CO -0.31 0.58 -0.78 -0.08 -1.57 0.00 0.00 179.24 177.08 1qpk h GLU 177 N 0.00 0.11 -0.47 3.56 4.57 -0.87 -0.92 114.58 120.56 1qpk h GLU 177 Ca -0.01 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 57.93 1qpk h GLU 177 Cb 1.05 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1qpk h GLU 177 CO 0.07 0.83 -0.24 0.74 -1.18 0.00 0.00 179.01 179.24 1qpk h PHE 178 N 0.06 1.15 -0.62 0.92 0.04 -1.06 0.18 116.94 117.61 1qpk h PHE 178 Ca -0.02 -0.29 -0.06 0.00 2.80 0.00 0.00 57.97 60.40 1qpk h PHE 178 Cb 1.37 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 1qpk h PHE 178 CO 0.01 1.12 0.15 1.15 -0.60 0.00 0.00 178.31 180.15 1qpk h THR 179 N 0.85 1.25 -0.12 -1.55 2.02 -1.39 -1.50 112.91 112.48 1qpk h THR 179 Ca 0.10 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1qpk h THR 179 Cb 0.82 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1qpk h THR 179 CO 0.07 0.35 0.08 -1.13 0.37 0.00 0.00 175.52 175.25 1qpk h ASN 180 N 0.91 0.13 -0.94 4.18 -0.00 -0.77 0.21 115.58 119.30 1qpk h ASN 180 Ca 0.20 -0.00 0.06 0.00 -0.00 0.00 0.00 56.30 56.56 1qpk h ASN 180 Cb 0.36 -0.03 -0.06 0.00 -0.00 0.00 0.00 38.32 38.59 1qpk h ASN 180 CO 0.00 0.09 0.61 -0.07 -0.00 0.00 0.00 177.43 178.07 1qpk h LEU 181 N 0.16 0.96 -0.29 0.34 3.38 -0.42 0.23 115.31 119.66 1qpk h LEU 181 Ca 0.05 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1qpk h LEU 181 Cb -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1qpk h LEU 181 CO -0.02 0.62 -0.53 -0.09 0.09 0.00 0.00 178.44 178.52 1qpk h ARG 182 N 1.09 0.86 0.00 1.13 9.65 -0.69 -1.92 114.38 124.50 1qpk h ARG 182 Ca 0.40 -0.55 -0.15 0.00 -1.10 0.00 0.00 59.98 58.58 1qpk h ARG 182 Cb 0.17 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 1qpk h ARG 182 CO -0.15 1.18 -1.27 0.66 2.80 0.00 0.00 179.97 183.19 1qpk h SER 183 N 0.64 0.00 0.00 -3.80 4.64 -0.51 -3.35 113.55 111.17 1qpk h SER 183 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1qpk h SER 183 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1qpk h SER 183 CO 0.12 0.55 -1.05 0.00 -0.87 0.00 0.00 176.83 175.58 1qpk n GLN 184 N -2.93 1.43 -0.40 4.77 6.02 0.76 -4.75 117.38 122.29 1qpk n GLN 184 Ca -0.08 -0.05 0.07 0.00 -0.01 0.00 0.00 57.00 56.94 1qpk n GLN 184 Cb 0.81 -1.07 0.15 0.00 1.02 0.00 0.00 30.24 31.15 1qpk n GLN 184 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1qpk n TYR 185 N -1.59 0.00 -3.80 1.08 4.02 -0.85 -4.96 117.16 111.07 1qpk n TYR 185 Ca -0.01 -1.10 -0.30 0.00 -0.01 0.00 0.00 57.90 56.49 1qpk n TYR 185 Cb 0.16 -0.18 -0.00 0.00 -0.02 0.00 0.00 39.34 39.29 1qpk n TYR 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qpk n GLY 186 N -1.10 -0.48 3.72 2.72 0.00 -1.16 -4.87 105.19 104.02 1qpk n GLY 186 Ca 0.16 0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1qpk n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qpk s ALA 187 N -3.15 3.56 -0.85 4.61 0.00 -0.78 -4.27 121.76 120.89 1qpk s ALA 187 Ca 0.59 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.78 1qpk s ALA 187 Cb -0.31 -3.51 0.33 0.00 0.00 0.00 0.00 23.12 19.63 1qpk s ALA 187 CO 0.73 -0.58 1.28 0.41 0.00 0.00 0.00 175.76 177.59 1qpk n GLY 188 N 3.01 2.90 0.00 0.00 0.00 0.19 -4.62 105.19 106.68 1qpk n GLY 188 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1qpk n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpk n GLY 189 N 0.41 0.05 3.09 -0.02 0.00 -1.22 -3.35 105.19 104.15 1qpk n GLY 189 Ca 0.13 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 1qpk n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qpk s PHE 190 N -1.68 0.24 -0.33 1.61 0.08 -0.65 -2.17 117.98 115.09 1qpk s PHE 190 Ca 0.00 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.45 1qpk s PHE 190 Cb 0.00 -0.18 0.05 0.00 -0.57 0.00 0.00 43.02 42.33 1qpk s PHE 190 CO 0.00 -0.34 0.07 0.50 -0.10 0.00 0.00 175.22 175.35 1qpk s ARG 191 N -2.55 2.47 -0.27 0.44 3.00 -0.49 -1.62 118.95 119.92 1qpk s ARG 191 Ca -0.05 -1.29 -0.21 0.00 -1.00 0.00 0.00 55.73 53.18 1qpk s ARG 191 Cb -0.02 -3.35 -0.01 0.00 0.00 0.00 0.00 34.95 31.57 1qpk s ARG 191 CO -0.04 -0.69 0.65 -0.06 0.00 0.00 0.00 175.30 175.15 1qpk s PHE 192 N 1.31 3.26 0.15 5.12 0.08 -0.28 -1.39 117.98 126.22 1qpk s PHE 192 Ca -0.02 0.75 -0.00 0.00 0.12 0.00 0.00 56.93 57.78 1qpk s PHE 192 Cb -0.20 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 1qpk s PHE 192 CO 0.00 -0.39 0.32 0.20 -0.10 0.00 0.00 175.22 175.25 1qpk s GLY 193 N 1.53 1.93 -1.41 4.36 0.00 -0.76 -0.19 107.32 112.78 1qpk s GLY 193 Ca 0.27 -0.84 -0.06 0.00 0.00 0.00 0.00 44.72 44.08 1qpk s GLY 193 CO 0.10 -0.81 0.84 0.33 0.00 0.00 0.00 173.10 173.56 1qpk n PHE 194 N -0.31 -2.12 0.26 1.90 7.35 -1.22 -4.66 117.46 118.65 1qpk n PHE 194 Ca -0.05 0.88 0.16 0.00 -0.76 0.00 0.00 57.45 57.67 1qpk n PHE 194 Cb 0.53 -4.24 0.84 0.00 0.35 0.00 0.00 39.48 36.96 1qpk n PHE 194 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1qpk h VAL 195 N -2.00 0.00 0.00 -2.13 -1.51 -1.61 0.28 116.25 109.28 1qpk h VAL 195 Ca -0.60 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1qpk h VAL 195 Cb 1.37 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1qpk h VAL 195 CO 0.61 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.84 1qpk n ARG 196 N -2.64 0.09 0.00 5.19 1.85 -1.26 -3.32 116.66 116.57 1qpk n ARG 196 Ca -0.02 0.33 0.14 0.00 -1.00 0.00 0.00 57.85 57.30 1qpk n ARG 196 Cb 0.13 -1.68 0.60 0.00 -1.05 0.00 0.00 32.46 30.46 1qpk n ARG 196 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qpk n GLY 197 N 0.00 -1.41 3.70 2.89 0.00 0.99 -0.42 105.19 110.94 1qpk n GLY 197 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1qpk n GLY 197 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qpk s TYR 198 N -2.91 -0.10 0.39 1.61 -0.85 -1.21 -3.55 117.35 110.73 1qpk s TYR 198 Ca 0.17 -0.30 -0.27 0.00 -0.52 0.00 0.00 57.07 56.15 1qpk s TYR 198 Cb 0.19 0.53 -0.09 0.00 0.38 0.00 0.00 41.96 42.97 1qpk s TYR 198 CO 0.53 -1.09 1.28 0.00 -1.52 0.00 0.00 175.55 174.75 1qpk s ALA 199 N -3.92 3.30 0.19 9.51 0.00 -1.25 -4.76 121.76 124.83 1qpk s ALA 199 Ca 0.12 1.20 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 1qpk s ALA 199 Cb -0.04 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.75 1qpk s ALA 199 CO 0.04 -0.73 1.83 -1.35 0.00 0.00 0.00 175.76 175.55 1qpk h PRO 200 N 2.84 0.73 -0.27 0.00 0.11 -1.91 -2.28 132.00 131.23 1qpk h PRO 200 Ca -0.49 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.65 1qpk h PRO 200 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1qpk h PRO 200 CO 0.63 0.48 0.21 0.93 -0.21 0.00 0.00 178.00 180.04 1qpk h GLU 201 N 0.75 0.00 -0.08 1.05 3.07 -1.93 -1.17 114.58 116.27 1qpk h GLU 201 Ca 0.24 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.94 1qpk h GLU 201 Cb -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1qpk h GLU 201 CO -0.09 0.00 -0.63 -0.09 -1.40 0.00 0.00 179.01 176.80 1qpk h ARG 202 N 0.00 0.28 -0.49 2.33 2.43 -1.74 -2.26 114.38 114.93 1qpk h ARG 202 Ca 0.13 -0.20 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1qpk h ARG 202 Cb 0.54 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1qpk h ARG 202 CO -0.00 0.82 0.00 0.28 -1.51 0.00 0.00 179.97 179.56 1qpk h VAL 203 N 0.21 1.26 -0.82 0.20 2.07 -1.25 -1.05 116.25 116.86 1qpk h VAL 203 Ca -0.01 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1qpk h VAL 203 Cb 1.15 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1qpk h VAL 203 CO 0.10 0.37 0.42 -1.13 0.02 0.00 0.00 177.57 177.35 1qpk h ASN 204 N 0.72 1.05 -0.29 0.57 -0.00 -1.29 0.12 115.58 116.46 1qpk h ASN 204 Ca 0.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 56.30 56.31 1qpk h ASN 204 Cb 0.51 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1qpk h ASN 204 CO 0.02 0.86 0.12 0.28 -0.00 0.00 0.00 177.43 178.71 1qpk h SER 205 N 1.16 0.40 -0.52 1.15 0.02 -1.09 0.17 113.55 114.84 1qpk h SER 205 Ca 0.29 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1qpk h SER 205 Cb 0.07 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1qpk h SER 205 CO -0.04 0.46 0.29 -0.50 -1.14 0.00 0.00 176.83 175.90 1qpk h TRP 206 N 0.32 0.70 -0.43 3.45 6.55 -0.91 0.09 115.95 125.72 1qpk h TRP 206 Ca 0.10 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.89 1qpk h TRP 206 Cb 0.18 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.24 1qpk h TRP 206 CO -0.01 0.51 0.13 0.52 -1.05 0.00 0.00 178.44 178.55 1qpk h MET 207 N 0.69 0.68 -0.51 0.49 2.86 -0.50 -1.89 114.93 116.74 1qpk h MET 207 Ca 0.18 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1qpk h MET 207 Cb 0.04 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 1qpk h MET 207 CO -0.03 0.66 0.27 1.15 1.06 0.00 0.00 176.91 180.02 1qpk h THR 208 N 0.56 0.98 -0.08 2.22 2.02 -0.38 0.87 112.91 119.11 1qpk h THR 208 Ca 0.14 -0.18 -0.22 0.00 0.77 0.00 0.00 66.41 66.92 1qpk h THR 208 Cb 0.27 0.40 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1qpk h THR 208 CO -0.00 0.10 -0.82 0.44 0.37 0.00 0.00 175.52 175.60 1qpk h ASP 209 N 0.54 0.72 0.00 4.18 3.45 -0.85 -3.40 116.42 121.06 1qpk h ASP 209 Ca 0.22 -0.50 -0.14 0.00 0.43 0.00 0.00 57.03 57.04 1qpk h ASP 209 Cb 0.10 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.63 1qpk h ASP 209 CO -0.14 1.28 -1.74 -1.20 -1.57 0.00 0.00 179.24 175.87 1qpk n SER 210 N -3.86 2.01 -2.70 6.45 7.64 -0.72 -4.93 113.62 117.51 1qpk n SER 210 Ca -0.07 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.75 1qpk n SER 210 Cb 0.77 1.10 0.09 0.00 -1.01 0.00 0.00 64.21 65.16 1qpk n SER 210 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qpk n ALA 211 N -2.26 -2.15 -0.34 -0.43 0.00 0.16 -4.70 120.51 110.79 1qpk n ALA 211 Ca -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 53.44 52.40 1qpk n ALA 211 Cb 0.68 -2.20 0.12 0.00 0.00 0.00 0.00 19.45 18.05 1qpk n ALA 211 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1qpk h ASP 212 N 2.89 1.00 -0.54 0.00 3.58 -1.38 -2.39 116.42 119.57 1qpk h ASP 212 Ca -0.21 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1qpk h ASP 212 Cb 1.15 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1qpk h ASP 212 CO 0.06 0.68 0.00 0.59 -2.88 0.00 0.00 179.24 177.69 1qpk n ASN 213 N -4.50 3.47 -4.66 2.28 3.02 -1.26 -4.91 115.26 108.69 1qpk n ASN 213 Ca 0.12 -2.18 -0.26 0.00 -0.03 0.00 0.00 54.58 52.23 1qpk n ASN 213 Cb 0.09 -0.45 0.11 0.00 -0.61 0.00 0.00 39.78 38.92 1qpk n ASN 213 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qpk s SER 214 N -0.90 4.25 0.24 6.41 0.01 -0.90 -4.87 113.70 117.94 1qpk s SER 214 Ca 0.39 0.24 -0.16 0.00 1.31 0.00 0.00 55.95 57.73 1qpk s SER 214 Cb 0.23 -0.66 -0.08 0.00 0.21 0.00 0.00 66.02 65.72 1qpk s SER 214 CO 0.23 -1.97 0.67 0.12 0.41 0.00 0.00 173.24 172.70 1qpk s PHE 215 N -3.41 3.52 0.05 2.43 2.19 -1.21 -4.71 117.98 116.83 1qpk s PHE 215 Ca 0.65 1.21 -0.11 0.00 0.33 0.00 0.00 56.93 59.00 1qpk s PHE 215 Cb -0.08 -2.50 0.01 0.00 -1.31 0.00 0.00 43.02 39.14 1qpk s PHE 215 CO 0.47 0.26 0.25 0.00 1.83 0.00 0.00 175.22 178.03 1qpk s VAL 217 N -2.67 -0.00 0.03 0.00 0.11 -0.64 -3.52 120.40 113.71 1qpk s VAL 217 Ca -0.04 0.02 0.08 0.00 -2.93 0.00 0.00 61.98 59.10 1qpk s VAL 217 Cb -0.01 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.53 1qpk s VAL 217 CO -0.04 0.01 -0.22 -0.83 -3.33 0.00 0.00 175.10 170.69 1qpk s GLY 218 N 0.22 1.48 -0.51 6.54 0.00 -0.92 -1.13 107.32 113.01 1qpk s GLY 218 Ca -0.01 -1.21 -0.17 0.00 0.00 0.00 0.00 44.72 43.34 1qpk s GLY 218 CO -0.01 -1.08 0.50 1.85 0.00 0.00 0.00 173.10 174.36 1qpk s GLU 219 N -1.26 3.01 -0.37 2.90 2.12 0.74 -2.26 118.70 123.58 1qpk s GLU 219 Ca 0.13 -1.38 -0.00 0.00 0.36 0.00 0.00 54.97 54.08 1qpk s GLU 219 Cb -0.10 -4.19 0.10 0.00 0.26 0.00 0.00 34.13 30.19 1qpk s GLU 219 CO 0.03 -1.21 0.11 -1.17 -0.54 0.00 0.00 175.26 172.49 1qpk s LEU 220 N 1.92 4.84 -0.51 2.70 2.96 -1.26 -1.93 118.68 127.39 1qpk s LEU 220 Ca 0.06 -1.94 0.02 0.00 -0.22 0.00 0.00 54.13 52.05 1qpk s LEU 220 Cb -0.25 -1.74 0.13 0.00 0.50 0.00 0.00 46.19 44.83 1qpk s LEU 220 CO 0.06 -0.44 0.26 0.86 -1.32 0.00 0.00 176.35 175.78 1qpk s TRP 221 N 1.08 3.35 -0.30 5.38 -0.11 -1.26 -4.78 118.94 122.29 1qpk s TRP 221 Ca 0.07 -3.00 -0.05 0.00 1.22 0.00 0.00 56.10 54.33 1qpk s TRP 221 Cb -0.21 -2.95 0.17 0.00 -1.50 0.00 0.00 33.47 28.98 1qpk s TRP 221 CO -0.05 -0.81 0.67 0.21 -4.62 0.00 0.00 176.95 172.35 1qpk s LYS 222 N 0.03 0.53 0.75 5.86 2.20 -1.26 -5.00 119.74 122.85 1qpk s LYS 222 Ca 0.16 1.09 -0.11 0.00 -0.36 0.00 0.00 55.97 56.74 1qpk s LYS 222 Cb -0.23 0.63 0.04 0.00 -1.51 0.00 0.00 37.83 36.76 1qpk s LYS 222 CO -0.02 -0.43 1.09 0.20 -0.36 0.00 0.00 175.35 175.83 1qpk s GLY 223 N 2.86 1.63 0.27 5.54 0.00 -1.26 -4.96 107.32 111.40 1qpk s GLY 223 Ca 0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.60 1qpk s GLY 223 CO -0.19 0.19 1.86 -2.55 0.00 0.00 0.00 173.10 172.40 1qpk h PRO 224 N -0.88 1.05 0.00 2.90 0.11 -1.88 -1.28 132.00 132.02 1qpk h PRO 224 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qpk h PRO 224 Cb 1.25 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1qpk h PRO 224 CO 0.60 0.69 0.00 -1.13 -0.21 0.00 0.00 178.00 177.96 1qpk n SER 225 N -4.56 0.22 -0.03 -2.05 3.41 -1.26 -1.97 113.62 107.38 1qpk n SER 225 Ca 0.16 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 1qpk n SER 225 Cb 0.24 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 63.84 1qpk n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qpk n GLU 226 N -1.77 0.11 -3.51 4.33 1.02 -0.48 -4.88 120.64 115.46 1qpk n GLU 226 Ca 0.02 -0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.77 1qpk n GLU 226 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.99 1qpk n GLU 226 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qpk s TYR 227 N -2.94 3.47 0.56 -0.32 1.51 -0.83 -5.03 117.35 113.78 1qpk s TYR 227 Ca 0.13 0.77 -0.19 0.00 -1.01 0.00 0.00 57.07 56.77 1qpk s TYR 227 Cb 0.18 -2.17 -0.07 0.00 -0.11 0.00 0.00 41.96 39.78 1qpk s TYR 227 CO 0.68 0.36 0.82 -2.30 -1.11 0.00 0.00 175.55 174.00 1qpk n PRO 228 N 0.10 0.82 0.32 -1.71 -0.02 -1.26 -4.68 135.00 128.58 1qpk n PRO 228 Ca -0.02 0.32 0.20 0.00 -2.02 0.00 0.00 63.50 61.98 1qpk n PRO 228 Cb 0.52 -1.99 1.10 0.00 -0.02 0.00 0.00 33.50 33.11 1qpk n PRO 228 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1qpk h ASN 229 N 0.55 0.00 0.64 2.55 4.21 -1.95 -1.12 115.58 120.45 1qpk h ASN 229 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1qpk h ASN 229 Cb 1.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.57 1qpk h ASN 229 CO 0.50 0.01 -0.74 -2.67 -1.29 0.00 0.00 177.43 173.24 1qpk n TRP 230 N -3.31 0.34 -2.71 1.19 4.27 -1.26 -4.90 117.44 111.05 1qpk n TRP 230 Ca -0.03 0.10 -0.40 0.00 -3.89 0.00 0.00 57.50 53.28 1qpk n TRP 230 Cb 0.09 -0.49 -0.05 0.00 -1.36 0.00 0.00 31.31 29.49 1qpk n TRP 230 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1qpk s ASP 231 N -3.86 7.57 0.56 -0.67 -1.08 -0.42 -4.94 116.67 113.83 1qpk s ASP 231 Ca 0.06 1.95 0.25 0.00 -0.52 0.00 0.00 52.55 54.29 1qpk s ASP 231 Cb 0.15 -2.61 1.53 0.00 -1.46 0.00 0.00 42.92 40.53 1qpk s ASP 231 CO 0.74 0.07 2.11 4.11 0.52 0.00 0.00 175.17 182.72 1qpk h TRP 232 N 4.48 0.00 0.00 -5.34 5.08 -1.90 -0.87 115.95 117.39 1qpk h TRP 232 Ca -0.45 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.47 1qpk h TRP 232 Cb 1.20 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.36 1qpk h TRP 232 CO 0.62 0.00 -0.25 0.00 -1.28 0.00 0.00 178.44 177.53 1qpk h ARG 233 N 0.00 0.00 0.00 0.12 3.08 -1.92 -2.47 114.38 113.19 1qpk h ARG 233 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1qpk h ARG 233 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1qpk h ARG 233 CO -0.00 0.25 -0.01 -0.97 -1.07 0.00 0.00 179.97 178.17 1qpk h ASN 234 N 0.00 0.00 -0.00 7.04 -0.73 -1.28 -2.28 115.58 118.32 1qpk h ASN 234 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1qpk h ASN 234 Cb 0.69 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1qpk h ASN 234 CO 0.03 0.01 0.00 0.35 -0.37 0.00 0.00 177.43 177.45 1qpk n THR 235 N -3.30 0.31 -1.66 -3.57 -2.24 -1.06 -4.49 114.28 98.27 1qpk n THR 235 Ca -0.03 -0.65 -0.29 0.00 -2.27 0.00 0.00 64.05 60.81 1qpk n THR 235 Cb 0.10 0.85 0.16 0.00 -2.10 0.00 0.00 70.33 69.34 1qpk n THR 235 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qpk s ALA 236 N -0.33 1.91 0.52 6.98 0.00 -0.86 -5.08 121.76 124.90 1qpk s ALA 236 Ca 0.01 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1qpk s ALA 236 Cb 0.00 -2.92 0.01 0.00 0.00 0.00 0.00 23.12 20.21 1qpk s ALA 236 CO 0.00 -2.41 0.78 -1.54 0.00 0.00 0.00 175.76 172.59 1qpk s SER 237 N -4.39 5.67 0.24 0.00 1.04 -1.26 -4.84 113.70 110.17 1qpk s SER 237 Ca 0.68 0.44 -0.05 0.00 0.48 0.00 0.00 55.95 57.49 1qpk s SER 237 Cb -0.10 -1.55 0.24 0.00 0.10 0.00 0.00 66.02 64.72 1qpk s SER 237 CO 0.53 -0.90 1.79 -0.50 0.98 0.00 0.00 173.24 175.13 1qpk h TRP 238 N 0.12 1.08 -0.45 5.02 4.06 -1.95 -2.74 115.95 121.09 1qpk h TRP 238 Ca -0.45 -0.10 0.08 0.00 2.06 0.00 0.00 58.89 60.48 1qpk h TRP 238 Cb 1.26 -0.32 -0.06 0.00 -1.00 0.00 0.00 29.16 29.04 1qpk h TRP 238 CO 0.45 0.86 0.07 1.96 -3.56 0.00 0.00 178.44 178.22 1qpk h GLN 239 N 1.02 0.20 -0.34 0.49 4.20 -1.93 -2.40 115.11 116.34 1qpk h GLN 239 Ca 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1qpk h GLN 239 Cb 0.27 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1qpk h GLN 239 CO -0.01 0.13 0.21 1.96 -0.67 0.00 0.00 178.83 180.45 1qpk h GLN 240 N 0.20 0.45 -0.11 1.46 4.20 -1.91 0.37 115.11 119.77 1qpk h GLN 240 Ca 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 1qpk h GLN 240 Cb 0.30 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1qpk h GLN 240 CO -0.31 0.32 0.07 0.82 -0.67 0.00 0.00 178.83 179.06 1qpk h ILE 241 N 0.44 1.06 -0.33 2.54 2.04 -1.22 -1.44 117.51 120.61 1qpk h ILE 241 Ca 0.12 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 1qpk h ILE 241 Cb -0.02 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1qpk h ILE 241 CO -0.02 0.06 -0.45 0.16 0.00 0.00 0.00 178.15 177.89 1qpk h ILE 242 N 0.11 1.28 -0.55 -0.67 3.07 -1.41 -3.00 117.51 116.34 1qpk h ILE 242 Ca 0.04 -1.63 0.04 0.00 1.55 0.00 0.00 64.86 64.86 1qpk h ILE 242 Cb 0.04 1.50 -0.04 0.00 -0.27 0.00 0.00 36.82 38.04 1qpk h ILE 242 CO -0.01 0.54 0.30 0.50 -1.05 0.00 0.00 178.15 178.43 1qpk h LYS 243 N 0.70 0.56 -0.64 0.16 1.63 -0.85 -1.11 116.57 117.01 1qpk h LYS 243 Ca 0.04 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1qpk h LYS 243 Cb 1.04 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.50 1qpk h LYS 243 CO 0.10 0.37 0.39 0.22 -3.45 0.00 0.00 179.45 177.08 1qpk h ASP 244 N 0.58 0.63 -0.02 4.20 1.82 -1.23 -0.66 116.42 121.73 1qpk h ASP 244 Ca 0.23 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1qpk h ASP 244 Cb 0.11 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.99 1qpk h ASP 244 CO -0.14 0.43 0.01 -0.25 -1.61 0.00 0.00 179.24 177.68 1qpk h TRP 245 N 0.76 0.03 -0.77 0.28 7.01 -1.25 -2.61 115.95 119.41 1qpk h TRP 245 Ca 0.26 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.38 1qpk h TRP 245 Cb 0.05 -0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.02 1qpk h TRP 245 CO -0.06 0.12 0.38 1.03 -2.79 0.00 0.00 178.44 177.13 1qpk h SER 246 N -0.07 0.48 -0.70 2.65 0.87 -0.66 -0.92 113.55 115.22 1qpk h SER 246 Ca 0.01 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 1qpk h SER 246 Cb 0.10 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1qpk h SER 246 CO -0.00 0.25 0.42 0.44 -0.53 0.00 0.00 176.83 177.41 1qpk h ASP 247 N 0.61 0.67 0.53 6.23 3.45 -0.84 -0.27 116.42 126.81 1qpk h ASP 247 Ca 0.39 0.01 -0.28 0.00 0.43 0.00 0.00 57.03 57.59 1qpk h ASP 247 Cb 0.48 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.13 1qpk h ASP 247 CO -0.31 0.45 -1.25 0.03 -1.57 0.00 0.00 179.24 176.59 1qpk h ARG 248 N 0.81 0.34 0.00 3.56 3.08 -1.04 -3.35 114.38 117.78 1qpk h ARG 248 Ca 0.29 -0.55 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 1qpk h ARG 248 Cb 0.09 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1qpk h ARG 248 CO -0.14 1.25 -0.79 0.00 -1.07 0.00 0.00 179.97 179.22 1qpk h ALA 249 N 0.52 0.68 -1.45 0.04 0.00 -1.15 -3.33 119.26 114.59 1qpk h ALA 249 Ca -0.15 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.17 1qpk h ALA 249 Cb 1.96 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 1qpk h ALA 249 CO 0.21 0.46 -0.26 1.63 0.00 0.00 0.00 179.25 181.29 1qpk n LYS 250 N -2.98 -0.82 -4.36 0.00 4.76 -0.12 -3.16 118.16 111.48 1qpk n LYS 250 Ca -0.01 0.51 -0.23 0.00 -2.87 0.00 0.00 58.31 55.71 1qpk n LYS 250 Cb 0.69 -4.58 -0.13 0.00 -1.84 0.00 0.00 35.03 29.17 1qpk n LYS 250 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qpk n PRO 252 N 1.44 -0.54 -4.20 0.00 -0.02 -1.23 -4.42 135.00 126.02 1qpk n PRO 252 Ca -0.19 -0.12 -0.16 0.00 -2.02 0.00 0.00 63.50 61.01 1qpk n PRO 252 Cb 0.54 -1.94 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1qpk n PRO 252 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qpk s VAL 253 N -2.42 0.57 0.24 -1.45 0.11 0.14 -2.16 120.40 115.44 1qpk s VAL 253 Ca 0.59 -0.52 -0.31 0.00 -2.93 0.00 0.00 61.98 58.80 1qpk s VAL 253 Cb -0.21 -0.52 -0.12 0.00 -1.53 0.00 0.00 36.38 34.01 1qpk s VAL 253 CO 0.66 0.01 1.66 -0.36 -3.33 0.00 0.00 175.10 173.74 1qpk s PHE 254 N -0.49 2.86 -1.25 1.54 0.08 -0.96 -1.04 117.98 118.73 1qpk s PHE 254 Ca -0.00 0.53 -0.19 0.00 0.12 0.00 0.00 56.93 57.39 1qpk s PHE 254 Cb -0.05 -4.10 0.06 0.00 -0.57 0.00 0.00 43.02 38.37 1qpk s PHE 254 CO 0.00 -3.97 1.69 0.34 -0.10 0.00 0.00 175.22 173.19 1qpk s ASP 255 N 0.91 6.76 0.18 1.36 3.68 -0.16 -4.71 116.67 124.69 1qpk s ASP 255 Ca 0.70 -2.26 0.26 0.00 2.13 0.00 0.00 52.55 53.37 1qpk s ASP 255 Cb -0.49 -2.58 0.90 0.00 -1.45 0.00 0.00 42.92 39.30 1qpk s ASP 255 CO 0.38 -1.25 1.77 0.49 0.13 0.00 0.00 175.17 176.69 1qpk n PHE 256 N 8.57 0.75 0.03 -5.34 3.01 -1.26 -2.53 117.46 120.69 1qpk n PHE 256 Ca 0.46 0.23 -0.17 0.00 1.01 0.00 0.00 57.45 58.99 1qpk n PHE 256 Cb 0.47 -0.88 -0.07 0.00 -0.01 0.00 0.00 39.48 38.99 1qpk n PHE 256 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qpk h ALA 257 N 2.53 0.28 -0.10 4.37 0.00 -1.86 -0.40 119.26 124.08 1qpk h ALA 257 Ca 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 1qpk h ALA 257 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1qpk h ALA 257 CO 0.00 0.72 -0.23 1.25 0.00 0.00 0.00 179.25 181.00 1qpk h LEU 258 N 0.39 0.38 -0.50 0.00 5.85 -1.81 -2.93 115.31 116.68 1qpk h LEU 258 Ca -0.09 -0.57 0.07 0.00 0.84 0.00 0.00 57.88 58.13 1qpk h LEU 258 Cb 1.56 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.42 1qpk h LEU 258 CO 0.18 0.88 0.16 0.50 -0.34 0.00 0.00 178.44 179.81 1qpk h LYS 259 N -0.11 0.31 -0.72 1.25 1.63 -1.53 -1.08 116.57 116.32 1qpk h LYS 259 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1qpk h LYS 259 Cb 0.82 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.35 1qpk h LYS 259 CO 0.05 0.20 0.45 1.49 -3.45 0.00 0.00 179.45 178.19 1qpk h GLU 260 N 0.32 0.96 -0.44 1.90 4.22 -1.10 -2.30 114.58 118.13 1qpk h GLU 260 Ca 0.24 -0.08 -0.12 0.00 0.08 0.00 0.00 59.36 59.48 1qpk h GLU 260 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1qpk h GLU 260 CO -0.27 0.66 -0.21 0.00 -2.18 0.00 0.00 179.01 177.01 1qpk h ARG 261 N 0.97 0.90 -0.39 1.92 2.47 -1.25 0.17 114.38 119.18 1qpk h ARG 261 Ca 0.26 -0.37 -0.03 0.00 -1.26 0.00 0.00 59.98 58.58 1qpk h ARG 261 Cb -0.06 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 1qpk h ARG 261 CO -0.05 1.02 0.13 0.52 0.56 0.00 0.00 179.97 182.15 1qpk h MET 262 N 0.78 0.55 0.06 0.04 2.86 -1.01 0.59 114.93 118.80 1qpk h MET 262 Ca 0.10 -0.08 -0.21 0.00 -2.06 0.00 0.00 59.70 57.46 1qpk h MET 262 Cb 0.76 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1qpk h MET 262 CO 0.06 0.48 -1.09 1.96 1.06 0.00 0.00 176.91 179.38 1qpk h GLN 263 N 0.55 0.13 0.00 1.72 1.08 -1.25 -3.42 115.11 113.92 1qpk h GLN 263 Ca 0.13 -0.23 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 1qpk h GLN 263 Cb 0.16 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1qpk h GLN 263 CO -0.01 1.11 -2.08 0.09 -0.95 0.00 0.00 178.83 176.99 1qpk n ASN 264 N -4.19 0.08 -4.57 1.46 5.03 0.56 -5.03 115.26 108.60 1qpk n ASN 264 Ca -0.24 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.03 1qpk n ASN 264 Cb 0.76 1.73 0.05 0.00 -1.02 0.00 0.00 39.78 41.30 1qpk n ASN 264 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qpk n GLY 265 N 1.41 2.16 3.97 7.41 0.00 0.20 -5.02 105.19 115.32 1qpk n GLY 265 Ca -0.11 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.43 1qpk n GLY 265 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qpk s SER 266 N -4.10 4.31 0.39 1.61 1.04 -1.26 -4.74 113.70 110.95 1qpk s SER 266 Ca 0.47 -0.08 0.10 0.00 0.48 0.00 0.00 55.95 56.93 1qpk s SER 266 Cb -0.04 -0.35 0.78 0.00 0.10 0.00 0.00 66.02 66.51 1qpk s SER 266 CO 0.30 -1.89 1.91 -0.29 0.98 0.00 0.00 173.24 174.25 1qpk h ILE 267 N -0.67 1.18 0.00 -1.02 2.10 -1.92 -1.97 117.51 115.21 1qpk h ILE 267 Ca -0.40 -0.83 -0.03 0.00 1.08 0.00 0.00 64.86 64.69 1qpk h ILE 267 Cb 1.27 1.26 -0.00 0.00 -1.09 0.00 0.00 36.82 38.26 1qpk h ILE 267 CO 0.45 0.25 -0.12 0.00 -1.08 0.00 0.00 178.15 177.65 1qpk h ALA 268 N 1.64 1.70 0.00 0.18 0.00 -1.94 -2.03 119.26 118.81 1qpk h ALA 268 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qpk h ALA 268 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1qpk h ALA 268 CO 0.02 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.17 1qpk n ASP 269 N -4.24 0.14 0.27 0.00 10.43 -0.74 -3.38 116.55 119.03 1qpk n ASP 269 Ca -0.03 0.53 0.18 0.00 2.57 0.00 0.00 54.79 58.04 1qpk n ASP 269 Cb 0.20 -0.56 0.89 0.00 1.84 0.00 0.00 41.12 43.49 1qpk n ASP 269 CO 0.00 0.00 0.00 -0.50 -1.07 0.00 0.00 177.20 175.63 1qpk h TRP 270 N 0.00 0.00 0.00 1.24 4.06 -1.41 -2.13 115.95 117.70 1qpk h TRP 270 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1qpk h TRP 270 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1qpk h TRP 270 CO 0.00 0.00 0.00 0.36 -3.56 0.00 0.00 178.44 175.24 1qpk n LYS 271 N -2.84 0.15 -0.48 0.49 2.85 -1.22 -2.33 118.16 114.78 1qpk n LYS 271 Ca -0.01 0.19 0.09 0.00 -1.05 0.00 0.00 58.31 57.52 1qpk n LYS 271 Cb 0.14 -1.50 0.31 0.00 -0.65 0.00 0.00 35.03 33.33 1qpk n LYS 271 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1qpk n HIS 272 N -1.28 1.18 -2.03 5.58 8.25 -0.80 -4.55 115.22 121.57 1qpk n HIS 272 Ca 0.05 -0.50 -0.28 0.00 -0.26 0.00 0.00 57.72 56.73 1qpk n HIS 272 Cb 0.08 -0.15 0.09 0.00 1.12 0.00 0.00 29.99 31.14 1qpk n HIS 272 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qpk s GLY 273 N -0.90 1.65 0.30 -1.41 0.00 -0.98 -4.70 107.32 101.28 1qpk s GLY 273 Ca 0.45 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 1qpk s GLY 273 CO 0.25 -0.34 1.92 -2.00 0.00 0.00 0.00 173.10 172.93 1qpk h LEU 274 N -0.95 0.85 -0.30 0.66 5.85 -1.91 -2.57 115.31 116.94 1qpk h LEU 274 Ca -0.45 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1qpk h LEU 274 Cb 1.31 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1qpk h LEU 274 CO 0.60 0.69 0.00 -0.46 -0.34 0.00 0.00 178.44 178.94 1qpk n ASN 275 N -4.36 0.23 -0.23 1.25 6.94 -1.26 -2.17 115.26 115.66 1qpk n ASN 275 Ca 0.07 0.57 0.11 0.00 -0.02 0.00 0.00 54.58 55.31 1qpk n ASN 275 Cb 0.11 -0.61 0.10 0.00 -2.36 0.00 0.00 39.78 37.02 1qpk n ASN 275 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qpk n GLY 276 N -0.26 -0.60 3.67 4.83 0.00 -0.97 -4.44 105.19 107.42 1qpk n GLY 276 Ca 0.02 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.06 1qpk n GLY 276 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qpk n ASN 277 N -0.80 3.09 0.28 1.61 5.15 -0.92 -4.89 115.26 118.78 1qpk n ASN 277 Ca 0.08 1.08 0.15 0.00 -0.60 0.00 0.00 54.58 55.29 1qpk n ASN 277 Cb 0.38 -1.43 0.80 0.00 -0.53 0.00 0.00 39.78 39.01 1qpk n ASN 277 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1qpk h PRO 278 N 5.94 0.00 -5.79 1.20 0.13 -1.92 -3.39 132.00 128.16 1qpk h PRO 278 Ca -0.45 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 1qpk h PRO 278 Cb 1.25 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 1qpk h PRO 278 CO 0.89 0.08 0.47 0.34 -0.23 0.00 0.00 178.00 179.54 1qpk s ASP 279 N -5.91 6.81 0.43 1.44 -1.08 -1.26 -4.93 116.67 112.17 1qpk s ASP 279 Ca -0.02 0.98 0.14 0.00 -0.52 0.00 0.00 52.55 53.12 1qpk s ASP 279 Cb 0.12 -2.43 1.03 0.00 -1.46 0.00 0.00 42.92 40.18 1qpk s ASP 279 CO 0.55 -0.54 1.98 1.55 0.52 0.00 0.00 175.17 179.23 1qpk h PRO 280 N 7.75 0.40 0.00 4.34 0.13 -1.92 -0.67 132.00 142.04 1qpk h PRO 280 Ca -0.23 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1qpk h PRO 280 Cb 1.09 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1qpk h PRO 280 CO 0.88 0.26 -0.06 0.00 -0.23 0.00 0.00 178.00 178.85 1qpk h ARG 281 N 0.41 0.00 0.00 0.86 2.47 -1.93 -1.53 114.38 114.66 1qpk h ARG 281 Ca 0.28 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.84 1qpk h ARG 281 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1qpk h ARG 281 CO -0.08 0.06 -1.07 0.91 0.56 0.00 0.00 179.97 180.35 1qpk n TRP 282 N -3.37 0.94 0.17 3.04 7.02 -0.30 -4.51 117.44 120.43 1qpk n TRP 282 Ca -0.01 0.41 0.01 0.00 -1.02 0.00 0.00 57.50 56.89 1qpk n TRP 282 Cb 0.22 -0.99 0.32 0.00 -2.42 0.00 0.00 31.31 28.44 1qpk n TRP 282 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 1qpk h ARG 283 N -1.00 0.04 0.00 -0.99 0.11 -1.35 -3.14 114.38 108.05 1qpk h ARG 283 Ca -0.25 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1qpk h ARG 283 Cb 1.06 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 1qpk h ARG 283 CO -0.15 0.43 0.00 -0.85 0.10 0.00 0.00 179.97 179.50 1qpk n GLU 284 N -4.07 0.10 -0.10 0.08 0.28 -0.59 -2.45 120.64 113.90 1qpk n GLU 284 Ca -0.02 0.20 0.09 0.00 -0.16 0.00 0.00 57.16 57.27 1qpk n GLU 284 Cb 0.43 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.93 1qpk n GLU 284 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1qpk n VAL 285 N -1.40 0.35 -3.03 3.84 0.24 -1.19 -4.82 118.33 112.33 1qpk n VAL 285 Ca 0.05 -0.68 -0.40 0.00 -2.04 0.00 0.00 64.34 61.28 1qpk n VAL 285 Cb 0.14 1.06 -0.05 0.00 -1.47 0.00 0.00 33.84 33.52 1qpk n VAL 285 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qpk s ALA 286 N -1.30 3.40 -0.37 2.33 0.00 -1.02 0.28 121.76 125.08 1qpk s ALA 286 Ca 0.26 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 1qpk s ALA 286 Cb 0.16 -2.94 0.09 0.00 0.00 0.00 0.00 23.12 20.44 1qpk s ALA 286 CO 0.23 0.11 0.12 0.08 0.00 0.00 0.00 175.76 176.30 1qpk s VAL 287 N -0.20 3.01 0.46 0.00 1.01 -0.20 -0.90 120.40 123.58 1qpk s VAL 287 Ca 0.37 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 1qpk s VAL 287 Cb -0.20 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 1qpk s VAL 287 CO 0.22 -0.52 0.91 0.42 0.00 0.00 0.00 175.10 176.13 1qpk s THR 288 N 1.12 4.59 0.18 3.92 -4.23 0.15 -0.99 115.64 120.38 1qpk s THR 288 Ca 0.05 1.08 -0.20 0.00 -1.18 0.00 0.00 61.69 61.44 1qpk s THR 288 Cb -0.21 -3.70 0.05 0.00 1.34 0.00 0.00 72.50 69.98 1qpk s THR 288 CO -0.04 -0.55 0.56 0.72 -0.54 0.00 0.00 174.62 174.77 1qpk s PHE 289 N -2.44 -0.34 -0.27 3.99 -0.12 -1.26 -0.87 117.98 116.66 1qpk s PHE 289 Ca 0.57 0.06 -0.07 0.00 -0.05 0.00 0.00 56.93 57.44 1qpk s PHE 289 Cb -0.10 0.49 -0.14 0.00 -0.63 0.00 0.00 43.02 42.63 1qpk s PHE 289 CO 0.27 -0.88 -0.29 1.33 -0.05 0.00 0.00 175.22 175.60 1qpk n VAL 290 N -0.35 1.51 -3.57 -2.49 0.24 -1.26 -4.78 118.33 107.63 1qpk n VAL 290 Ca -0.14 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.59 1qpk n VAL 290 Cb 0.64 -1.68 -0.03 0.00 -1.47 0.00 0.00 33.84 31.30 1qpk n VAL 290 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1qpk s ASP 291 N -7.06 -0.39 0.00 -1.34 -0.00 -1.26 -4.68 116.67 101.94 1qpk s ASP 291 Ca -0.37 -0.22 0.00 0.00 -0.00 0.00 0.00 52.55 51.96 1qpk s ASP 291 Cb 0.12 0.56 0.00 0.00 -0.00 0.00 0.00 42.92 43.60 1qpk s ASP 291 CO 0.54 -0.96 0.00 -0.46 -0.00 0.00 0.00 175.17 174.29 1qpk n ASN 292 N -0.32 0.72 0.20 0.27 2.04 -1.26 -4.49 115.26 112.41 1qpk n ASN 292 Ca -0.15 -0.83 0.15 0.00 -0.44 0.00 0.00 54.58 53.31 1qpk n ASN 292 Cb 0.64 0.00 0.65 0.00 -2.53 0.00 0.00 39.78 38.54 1qpk n ASN 292 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 1qpk h HIS 293 N 0.83 0.00 0.00 -2.53 2.07 -1.88 0.04 115.15 113.68 1qpk h HIS 293 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 1qpk h HIS 293 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 1qpk h HIS 293 CO 0.00 0.00 -1.18 -0.25 -3.07 0.00 0.00 177.93 173.43 1qpk n ASP 294 N -2.57 1.88 0.06 3.10 10.43 -1.26 -4.39 116.55 123.80 1qpk n ASP 294 Ca 0.00 0.46 -0.14 0.00 2.57 0.00 0.00 54.79 57.68 1qpk n ASP 294 Cb 0.19 -0.85 -0.05 0.00 1.84 0.00 0.00 41.12 42.25 1qpk n ASP 294 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1qpk h THR 295 N -1.00 1.38 -2.14 -3.53 1.35 -1.85 -1.71 112.91 105.41 1qpk h THR 295 Ca -0.21 -2.40 -0.47 0.00 -0.55 0.00 0.00 66.41 62.78 1qpk h THR 295 Cb 1.02 2.39 0.08 0.00 -1.73 0.00 0.00 68.15 69.91 1qpk h THR 295 CO -0.13 0.72 0.10 -0.83 -0.25 0.00 0.00 175.52 175.13 1qpk s GLY 296 N -4.39 1.76 0.81 5.82 0.00 -0.00 -0.62 107.32 110.70 1qpk s GLY 296 Ca -0.06 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.81 1qpk s GLY 296 CO 0.87 -1.17 1.15 -0.19 0.00 0.00 0.00 173.10 173.77 1qpk s TYR 297 N -3.13 2.93 -0.03 1.90 2.02 -1.26 -1.24 117.35 118.53 1qpk s TYR 297 Ca 0.66 0.85 -0.09 0.00 -0.37 0.00 0.00 57.07 58.13 1qpk s TYR 297 Cb -0.05 -3.37 0.01 0.00 -0.40 0.00 0.00 41.96 38.15 1qpk s TYR 297 CO 0.44 -1.78 0.20 -1.12 -1.57 0.00 0.00 175.55 171.73 1qpk s SER 298 N -4.39 -0.11 0.75 2.29 0.01 -0.58 -4.90 113.70 106.77 1qpk s SER 298 Ca 0.62 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.82 1qpk s SER 298 Cb -0.12 0.32 0.03 0.00 0.21 0.00 0.00 66.02 66.45 1qpk s SER 298 CO 0.51 -0.27 1.01 -2.65 0.41 0.00 0.00 173.24 172.24 1qpk n PRO 299 N 2.00 0.42 0.00 12.44 -0.02 -1.26 -3.56 135.00 145.01 1qpk n PRO 299 Ca -0.19 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1qpk n PRO 299 Cb 0.57 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1qpk n PRO 299 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qpk n GLY 300 N 0.98 -1.37 3.50 -1.23 0.00 -1.26 -4.58 105.19 101.23 1qpk n GLY 300 Ca 0.13 -1.63 -0.64 0.00 0.00 0.00 0.00 46.02 43.89 1qpk n GLY 300 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1qpk n GLN 301 N 0.00 0.00 -0.88 1.61 7.27 -1.26 -1.62 117.38 122.50 1qpk n GLN 301 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1qpk n GLN 301 Cb 0.00 -1.41 0.00 0.00 2.41 0.00 0.00 30.24 31.24 1qpk n GLN 301 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1qpk n ASN 302 N 3.99 -4.55 -0.10 1.69 5.03 -1.26 -0.27 115.26 119.80 1qpk n ASN 302 Ca 0.31 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.74 1qpk n ASN 302 Cb -0.06 -3.26 -0.01 0.00 -1.02 0.00 0.00 39.78 35.44 1qpk n ASN 302 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qpk n GLY 303 N 0.27 0.51 6.26 7.41 0.00 -0.64 -4.76 105.19 114.24 1qpk n GLY 303 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1qpk n GLY 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qpk n GLY 304 N -2.63 -0.23 0.12 -0.02 0.00 0.63 -1.53 105.19 101.53 1qpk n GLY 304 Ca -0.01 -1.16 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1qpk n GLY 304 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qpk n GLN 305 N 1.96 0.66 -4.17 1.61 6.02 -1.25 -4.91 117.38 117.30 1qpk n GLN 305 Ca 0.00 0.41 -0.36 0.00 -0.01 0.00 0.00 57.00 57.03 1qpk n GLN 305 Cb 0.00 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 29.50 1qpk n GLN 305 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1qpk n HIS 306 N -3.95 -1.37 0.18 1.08 1.44 -0.37 -4.88 115.22 107.35 1qpk n HIS 306 Ca -0.33 0.41 0.03 0.00 -2.01 0.00 0.00 57.72 55.82 1qpk n HIS 306 Cb 0.87 -2.91 0.32 0.00 0.12 0.00 0.00 29.99 28.39 1qpk n HIS 306 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1qpk h HIS 307 N -2.12 0.00 -0.09 -1.40 3.86 -1.16 -3.39 115.15 110.85 1qpk h HIS 307 Ca -0.68 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.29 1qpk h HIS 307 Cb 1.40 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.71 1qpk h HIS 307 CO 0.45 0.43 -0.49 1.87 0.86 0.00 0.00 177.93 181.06 1qpk n TRP 308 N -3.84 -2.96 -3.16 2.45 -0.00 -0.56 -4.99 117.44 104.38 1qpk n TRP 308 Ca -0.01 -2.04 -0.36 0.00 -0.00 0.00 0.00 57.50 55.09 1qpk n TRP 308 Cb 0.49 1.52 -0.06 0.00 -0.00 0.00 0.00 31.31 33.26 1qpk n TRP 308 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1qpk s ALA 309 N 0.35 3.45 -0.11 5.87 0.00 0.21 -4.57 121.76 126.96 1qpk s ALA 309 Ca 0.27 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1qpk s ALA 309 Cb 0.26 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 1qpk s ALA 309 CO -0.14 0.36 1.09 -1.17 0.00 0.00 0.00 175.76 175.90 1qpk s LEU 310 N -2.00 4.23 0.59 0.00 2.96 -1.26 -5.00 118.68 118.19 1qpk s LEU 310 Ca 0.42 1.61 -0.19 0.00 -0.22 0.00 0.00 54.13 55.74 1qpk s LEU 310 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 1qpk s LEU 310 CO 0.20 -0.54 1.08 0.00 -1.32 0.00 0.00 176.35 175.77 1qpk n GLN 311 N 5.36 1.09 0.25 1.98 10.64 -1.26 -4.85 117.38 130.59 1qpk n GLN 311 Ca 0.10 0.42 0.16 0.00 -1.83 0.00 0.00 57.00 55.85 1qpk n GLN 311 Cb 0.47 -2.28 0.87 0.00 -0.86 0.00 0.00 30.24 28.45 1qpk n GLN 311 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1qpk h ASP 312 N 0.72 0.00 0.58 2.61 2.03 -2.02 -2.16 116.42 118.19 1qpk h ASP 312 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1qpk h ASP 312 Cb 1.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 1qpk h ASP 312 CO 0.53 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.35 1qpk n GLY 313 N -1.36 -1.14 0.12 7.15 0.00 -1.26 -2.94 105.19 105.75 1qpk n GLY 313 Ca -0.01 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1qpk n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qpk n LEU 314 N -2.02 1.66 0.11 0.99 4.77 -0.81 -4.84 117.00 116.86 1qpk n LEU 314 Ca 0.02 -1.46 -0.13 0.00 -0.03 0.00 0.00 56.01 54.41 1qpk n LEU 314 Cb 0.19 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 1qpk n LEU 314 CO 0.17 0.40 0.76 0.40 -1.33 0.00 0.00 177.39 177.79 1qpk h ILE 315 N 0.47 0.89 -0.46 -0.08 2.04 -1.58 -0.43 117.51 118.36 1qpk h ILE 315 Ca 0.00 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 1qpk h ILE 315 Cb 0.31 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1qpk h ILE 315 CO 0.00 0.05 0.14 0.03 0.00 0.00 0.00 178.15 178.37 1qpk h ARG 316 N -0.32 0.71 -0.55 2.37 3.08 -1.88 -1.67 114.38 116.11 1qpk h ARG 316 Ca -0.02 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 59.94 1qpk h ARG 316 Cb 0.25 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1qpk h ARG 316 CO 0.04 0.68 0.25 1.96 -1.07 0.00 0.00 179.97 181.83 1qpk h GLN 317 N 0.60 0.46 -0.32 0.04 7.50 -1.86 -1.17 115.11 120.36 1qpk h GLN 317 Ca 0.15 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 1qpk h GLN 317 Cb 0.27 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 1qpk h GLN 317 CO -0.00 0.30 0.15 0.00 -1.50 0.00 0.00 178.83 177.78 1qpk h ALA 318 N 1.33 0.42 -0.30 3.87 0.00 -0.90 -0.71 119.26 122.97 1qpk h ALA 318 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1qpk h ALA 318 Cb 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1qpk h ALA 318 CO -0.21 -0.01 -0.33 1.88 0.00 0.00 0.00 179.25 180.58 1qpk h TYR 319 N 0.38 0.75 -0.53 0.00 0.05 -1.12 -1.58 116.97 114.92 1qpk h TYR 319 Ca 0.11 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1qpk h TYR 319 Cb 0.14 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1qpk h TYR 319 CO -0.01 0.89 0.24 0.00 -1.05 0.00 0.00 178.16 178.22 1qpk h ALA 320 N 1.10 0.68 0.90 3.88 0.00 -1.01 -1.20 119.26 123.61 1qpk h ALA 320 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1qpk h ALA 320 Cb 0.83 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1qpk h ALA 320 CO 0.07 0.26 -0.43 -0.92 0.00 0.00 0.00 179.25 178.23 1qpk h TYR 321 N 0.71 -1.12 -0.25 0.00 3.20 -0.87 -2.66 116.97 115.96 1qpk h TYR 321 Ca 0.18 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1qpk h TYR 321 Cb 0.15 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1qpk h TYR 321 CO -0.00 -0.70 0.10 -0.84 -1.64 0.00 0.00 178.16 175.08 1qpk h ILE 322 N -1.30 1.11 0.00 1.81 3.07 -1.26 -2.35 117.51 118.59 1qpk h ILE 322 Ca -0.12 -0.33 -0.05 0.00 1.55 0.00 0.00 64.86 65.91 1qpk h ILE 322 Cb 0.93 0.81 -0.01 0.00 -0.27 0.00 0.00 36.82 38.28 1qpk h ILE 322 CO 0.20 0.12 -0.23 -0.07 -1.05 0.00 0.00 178.15 177.13 1qpk h LEU 323 N 0.35 0.00 -0.83 0.16 4.07 -1.25 -3.24 115.31 114.57 1qpk h LEU 323 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1qpk h LEU 323 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1qpk h LEU 323 CO -0.01 0.23 -0.40 0.35 -1.08 0.00 0.00 178.44 177.53 1qpk n THR 324 N -3.23 0.00 -3.78 0.22 -2.24 -1.01 -4.53 114.28 99.72 1qpk n THR 324 Ca 0.02 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1qpk n THR 324 Cb 0.53 1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 1qpk n THR 324 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qpk s SER 325 N -2.05 4.81 1.23 3.42 1.04 -0.91 -4.91 113.70 116.33 1qpk s SER 325 Ca 0.14 -0.89 -0.16 0.00 0.48 0.00 0.00 55.95 55.52 1qpk s SER 325 Cb 0.14 -0.48 0.30 0.00 0.10 0.00 0.00 66.02 66.09 1qpk s SER 325 CO 0.46 -0.65 1.01 -2.84 0.98 0.00 0.00 173.24 172.20 1qpk s PRO 326 N -4.06 -1.44 0.00 4.02 0.02 -1.26 -4.81 135.00 127.47 1qpk s PRO 326 Ca 0.45 0.56 0.00 0.00 0.02 0.00 0.00 61.00 62.03 1qpk s PRO 326 Cb -0.01 -1.52 0.00 0.00 0.02 0.00 0.00 34.50 33.00 1qpk s PRO 326 CO 0.26 -3.99 0.00 0.41 -0.33 0.00 0.00 177.00 173.34 1qpk n GLY 327 N 0.72 -0.45 3.21 0.52 0.00 -0.15 -4.83 105.19 104.20 1qpk n GLY 327 Ca 0.06 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1qpk n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qpk s THR 328 N -1.03 3.05 0.44 2.61 2.01 -0.08 -3.84 115.64 118.80 1qpk s THR 328 Ca 0.00 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.76 1qpk s THR 328 Cb 0.00 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.82 1qpk s THR 328 CO 0.00 0.12 0.92 -2.16 -0.69 0.00 0.00 174.62 172.81 1qpk s PRO 329 N 1.33 4.11 -0.06 4.92 0.04 -1.26 -0.67 135.00 143.41 1qpk s PRO 329 Ca -0.01 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.05 1qpk s PRO 329 Cb -0.17 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1qpk s PRO 329 CO -0.03 -0.07 -0.14 0.08 0.04 0.00 0.00 177.00 176.89 1qpk s VAL 330 N -2.28 1.20 -0.17 -0.36 1.01 -0.05 -1.64 120.40 118.12 1qpk s VAL 330 Ca 0.60 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1qpk s VAL 330 Cb -0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1qpk s VAL 330 CO 0.19 0.36 0.00 -0.69 0.00 0.00 0.00 175.10 174.97 1qpk s VAL 331 N 0.45 4.23 0.04 2.92 1.01 -0.00 -4.27 120.40 124.78 1qpk s VAL 331 Ca -0.11 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1qpk s VAL 331 Cb -0.14 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1qpk s VAL 331 CO 0.03 0.48 1.14 -0.47 0.00 0.00 0.00 175.10 176.28 1qpk s TYR 332 N 0.40 3.49 0.20 5.22 5.04 -1.26 0.30 117.35 130.74 1qpk s TYR 332 Ca -0.01 1.40 -0.20 0.00 -2.44 0.00 0.00 57.07 55.81 1qpk s TYR 332 Cb -0.14 -3.35 0.14 0.00 0.35 0.00 0.00 41.96 38.97 1qpk s TYR 332 CO 0.02 -0.97 1.47 1.87 -1.34 0.00 0.00 175.55 176.60 1qpk n TRP 333 N 3.95 -0.10 -0.26 4.97 -0.00 -0.76 -2.51 117.44 122.73 1qpk n TRP 333 Ca 0.08 1.17 -0.01 0.00 -0.00 0.00 0.00 57.50 58.74 1qpk n TRP 333 Cb 0.47 -0.77 0.10 0.00 -0.00 0.00 0.00 31.31 31.12 1qpk n TRP 333 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1qpk h ASP 334 N 0.00 0.67 -0.57 5.87 5.19 -1.88 0.27 116.42 125.97 1qpk h ASP 334 Ca 0.28 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 1qpk h ASP 334 Cb 0.51 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.88 1qpk h ASP 334 CO -0.93 0.44 0.32 0.45 -3.12 0.00 0.00 179.24 176.40 1qpk h HIS 335 N 0.80 0.78 0.31 4.55 3.86 -1.88 0.51 115.15 124.08 1qpk h HIS 335 Ca 0.32 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.49 1qpk h HIS 335 Cb 0.14 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.37 1qpk h HIS 335 CO -0.06 0.56 -0.15 1.98 0.86 0.00 0.00 177.93 181.13 1qpk h MET 336 N 0.77 -0.40 0.00 2.45 1.85 -1.23 -1.75 114.93 116.62 1qpk h MET 336 Ca 0.20 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.32 1qpk h MET 336 Cb 0.04 0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.16 1qpk h MET 336 CO -0.03 -0.07 -1.15 0.66 -0.40 0.00 0.00 176.91 175.91 1qpk n TYR 337 N -5.11 0.00 -0.11 1.39 4.02 0.89 -3.19 117.16 115.06 1qpk n TYR 337 Ca -0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.57 1qpk n TYR 337 Cb 0.27 -0.16 -0.08 0.00 -0.02 0.00 0.00 39.34 39.35 1qpk n TYR 337 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1qpk n ASP 338 N -1.66 1.54 -0.66 7.72 10.43 -0.24 -4.75 116.55 128.92 1qpk n ASP 338 Ca 0.00 0.26 0.07 0.00 2.57 0.00 0.00 54.79 57.70 1qpk n ASP 338 Cb 0.30 -0.64 0.22 0.00 1.84 0.00 0.00 41.12 42.85 1qpk n ASP 338 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1qpk n TRP 339 N -3.97 0.42 -1.59 1.24 8.01 0.16 -4.96 117.44 116.76 1qpk n TRP 339 Ca -0.43 -0.21 -0.07 0.00 -1.31 0.00 0.00 57.50 55.48 1qpk n TRP 339 Cb 0.80 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 30.09 1qpk n TRP 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qpk n GLY 340 N 1.11 0.58 0.81 6.99 0.00 -1.25 -4.91 105.19 108.52 1qpk n GLY 340 Ca 0.14 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.61 1qpk n GLY 340 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qpk n TYR 341 N -3.29 0.13 -0.14 1.61 4.01 -0.66 -4.59 117.16 114.23 1qpk n TYR 341 Ca -0.08 -0.07 -0.03 0.00 -0.16 0.00 0.00 57.90 57.56 1qpk n TYR 341 Cb 0.37 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.44 1qpk n TYR 341 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qpk h GLY 342 N 4.76 0.40 1.35 2.72 0.00 -1.60 -1.61 103.07 109.10 1qpk h GLY 342 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 1qpk h GLY 342 CO 0.00 -0.15 -0.37 -0.55 0.00 0.00 0.00 176.54 175.46 1qpk h ASP 343 N 0.05 0.75 -0.21 0.19 3.32 -1.88 -1.03 116.42 117.61 1qpk h ASP 343 Ca 0.23 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1qpk h ASP 343 Cb 0.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1qpk h ASP 343 CO -0.43 1.05 0.00 0.15 -1.72 0.00 0.00 179.24 178.29 1qpk h PHE 344 N 0.59 0.41 -0.53 4.55 3.57 -1.83 -2.69 116.94 121.01 1qpk h PHE 344 Ca 0.05 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1qpk h PHE 344 Cb 0.91 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1qpk h PHE 344 CO 0.05 0.56 0.17 0.82 -2.23 0.00 0.00 178.31 177.67 1qpk h ILE 345 N 0.14 1.23 -0.40 1.41 2.04 -1.23 -2.64 117.51 118.06 1qpk h ILE 345 Ca 0.06 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.22 1qpk h ILE 345 Cb 0.39 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 1qpk h ILE 345 CO 0.01 0.28 0.05 0.03 0.00 0.00 0.00 178.15 178.52 1qpk h ARG 346 N 0.72 0.16 -0.07 2.37 3.08 -1.14 0.17 114.38 119.67 1qpk h ARG 346 Ca 0.17 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1qpk h ARG 346 Cb 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1qpk h ARG 346 CO -0.01 0.11 -0.05 1.96 -1.07 0.00 0.00 179.97 180.91 1qpk h GLN 347 N 0.17 -0.06 -0.74 0.04 4.20 -1.30 -2.27 115.11 115.15 1qpk h GLN 347 Ca 0.20 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 1qpk h GLN 347 Cb 0.25 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1qpk h GLN 347 CO -0.28 -0.04 0.32 -0.07 -0.67 0.00 0.00 178.83 178.08 1qpk h LEU 348 N -0.06 0.98 -0.69 1.46 3.38 -1.06 -1.03 115.31 118.29 1qpk h LEU 348 Ca 0.05 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qpk h LEU 348 Cb 0.13 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1qpk h LEU 348 CO -0.11 0.86 0.45 0.40 0.09 0.00 0.00 178.44 180.12 1qpk h ILE 349 N 1.06 1.14 -0.70 1.22 2.04 -0.44 -1.81 117.51 120.02 1qpk h ILE 349 Ca 0.25 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1qpk h ILE 349 Cb 0.16 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1qpk h ILE 349 CO -0.03 0.16 0.19 1.56 0.00 0.00 0.00 178.15 180.04 1qpk h GLN 350 N 0.90 1.09 -0.46 2.37 4.20 -0.88 -1.87 115.11 120.46 1qpk h GLN 350 Ca 0.26 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1qpk h GLN 350 Cb -0.05 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1qpk h GLN 350 CO -0.08 0.95 0.14 0.28 -0.67 0.00 0.00 178.83 179.45 1qpk h VAL 351 N 1.04 1.22 -0.23 -0.54 2.07 -0.93 -1.94 116.25 116.95 1qpk h VAL 351 Ca 0.22 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1qpk h VAL 351 Cb 0.33 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1qpk h VAL 351 CO -0.00 0.27 0.12 -0.09 0.02 0.00 0.00 177.57 177.89 1qpk h ARG 352 N 0.60 0.32 -0.32 1.57 2.43 -1.16 -2.01 114.38 115.82 1qpk h ARG 352 Ca 0.15 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1qpk h ARG 352 Cb 0.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1qpk h ARG 352 CO -0.00 0.31 -0.28 0.00 -1.51 0.00 0.00 179.97 178.48 1qpk h ARG 353 N 0.25 0.65 -0.16 0.20 3.08 -1.30 -1.87 114.38 115.24 1qpk h ARG 353 Ca 0.08 -0.28 -0.15 0.00 0.07 0.00 0.00 59.98 59.70 1qpk h ARG 353 Cb 0.08 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1qpk h ARG 353 CO -0.01 0.86 -0.54 0.00 -1.07 0.00 0.00 179.97 179.21 1qpk h ALA 354 N 1.13 0.77 0.00 0.04 0.00 -1.33 -2.97 119.26 116.89 1qpk h ALA 354 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1qpk h ALA 354 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1qpk h ALA 354 CO 0.06 0.69 -0.26 0.00 0.00 0.00 0.00 179.25 179.74 1qpk h ALA 355 N 1.06 0.84 -2.97 0.00 0.00 -1.28 -3.41 119.26 113.49 1qpk h ALA 355 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1qpk h ALA 355 Cb 1.07 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.91 1qpk h ALA 355 CO 0.10 0.00 -0.29 0.41 0.00 0.00 0.00 179.25 179.47 1qpk n GLY 356 N 1.28 0.28 3.74 0.00 0.00 -0.74 -0.22 105.19 109.53 1qpk n GLY 356 Ca 0.04 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1qpk n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qpk s VAL 357 N -3.09 4.14 0.29 1.61 1.01 -0.94 -0.85 120.40 122.57 1qpk s VAL 357 Ca 0.24 1.88 0.06 0.00 0.00 0.00 0.00 61.98 64.16 1qpk s VAL 357 Cb -0.10 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1qpk s VAL 357 CO 0.29 0.34 0.26 -2.11 0.00 0.00 0.00 175.10 173.89 1qpk n ARG 358 N 2.31 0.38 -0.31 2.72 1.85 -1.26 -4.85 116.66 117.51 1qpk n ARG 358 Ca 0.01 -2.87 0.15 0.00 -1.00 0.00 0.00 57.85 54.15 1qpk n ARG 358 Cb 0.47 2.39 0.33 0.00 -1.05 0.00 0.00 32.46 34.60 1qpk n ARG 358 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qpk h ALA 359 N 1.94 1.48 -0.30 2.89 0.00 -1.01 -2.30 119.26 121.97 1qpk h ALA 359 Ca -0.21 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qpk h ALA 359 Cb 1.05 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1qpk h ALA 359 CO 0.30 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.74 1qpk n ASP 360 N -5.09 3.20 -4.53 0.00 5.68 -1.26 -0.98 116.55 113.57 1qpk n ASP 360 Ca 0.24 -1.94 -0.39 0.00 -0.50 0.00 0.00 54.79 52.20 1qpk n ASP 360 Cb 0.72 -0.19 0.03 0.00 -1.14 0.00 0.00 41.12 40.54 1qpk n ASP 360 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1qpk n SER 361 N 1.31 -0.12 -4.82 -1.12 7.64 -0.86 -4.92 113.62 110.73 1qpk n SER 361 Ca 0.17 0.83 -0.33 0.00 1.01 0.00 0.00 58.87 60.55 1qpk n SER 361 Cb 0.56 -1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 62.48 1qpk n SER 361 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qpk s ALA 362 N -1.55 2.91 -0.02 -0.43 0.00 -1.25 -4.62 121.76 116.80 1qpk s ALA 362 Ca 0.69 0.35 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1qpk s ALA 362 Cb -0.48 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.48 1qpk s ALA 362 CO 0.53 -0.42 0.02 -1.50 0.00 0.00 0.00 175.76 174.39 1qpk s ILE 363 N -2.41 0.01 -0.07 0.00 2.07 -1.26 -1.76 121.20 117.79 1qpk s ILE 363 Ca 0.62 0.16 0.04 0.00 -1.41 0.00 0.00 60.65 60.05 1qpk s ILE 363 Cb -0.13 -0.12 0.00 0.00 0.13 0.00 0.00 42.46 42.34 1qpk s ILE 363 CO 0.29 0.09 -0.18 -0.55 -1.91 0.00 0.00 174.94 172.69 1qpk s SER 364 N 0.93 2.33 -0.15 4.50 0.15 0.62 -4.94 113.70 117.13 1qpk s SER 364 Ca -0.08 -0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.10 1qpk s SER 364 Cb -0.12 -0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1qpk s SER 364 CO -0.02 0.11 0.08 -0.36 1.20 0.00 0.00 173.24 174.25 1qpk s PHE 365 N 0.35 3.35 -0.17 3.44 0.40 -1.26 -0.23 117.98 123.86 1qpk s PHE 365 Ca -0.12 0.25 -0.07 0.00 -0.60 0.00 0.00 56.93 56.39 1qpk s PHE 365 Cb -0.15 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1qpk s PHE 365 CO 0.05 0.39 0.07 -1.01 0.70 0.00 0.00 175.22 175.42 1qpk s HIS 366 N -0.26 3.29 -2.72 0.36 3.76 0.58 -4.99 115.29 115.30 1qpk s HIS 366 Ca 0.09 0.15 0.22 0.00 -0.15 0.00 0.00 55.06 55.36 1qpk s HIS 366 Cb -0.12 -2.06 0.18 0.00 1.11 0.00 0.00 32.58 31.69 1qpk s HIS 366 CO 0.01 0.24 1.20 -1.13 -0.85 0.00 0.00 174.74 174.21 1qpk n SER 367 N 3.31 2.84 -0.10 1.40 3.41 -1.26 -4.22 113.62 118.99 1qpk n SER 367 Ca -0.17 -1.91 0.14 0.00 -0.26 0.00 0.00 58.87 56.67 1qpk n SER 367 Cb 0.52 -0.01 0.75 0.00 -0.26 0.00 0.00 64.21 65.22 1qpk n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qpk n GLY 368 N 1.23 -0.77 3.52 5.00 0.00 -1.26 -4.87 105.19 108.04 1qpk n GLY 368 Ca 0.13 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1qpk n GLY 368 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qpk s TYR 369 N -1.99 2.27 0.63 1.61 1.51 -1.26 -5.07 117.35 115.04 1qpk s TYR 369 Ca 0.40 -0.63 -0.08 0.00 -1.01 0.00 0.00 57.07 55.75 1qpk s TYR 369 Cb 0.19 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 1qpk s TYR 369 CO 0.32 0.42 0.98 -1.54 -1.11 0.00 0.00 175.55 174.62 1qpk s SER 370 N -3.58 5.67 0.11 2.29 1.04 -1.26 -4.86 113.70 113.11 1qpk s SER 370 Ca 0.33 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.72 1qpk s SER 370 Cb 0.05 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1qpk s SER 370 CO 0.16 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.89 1qpk n GLY 371 N -2.73 0.26 3.04 7.32 0.00 -1.23 -3.80 105.19 108.05 1qpk n GLY 371 Ca 0.05 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 1qpk n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qpk s LEU 372 N 0.00 1.82 -0.16 0.99 1.98 -0.43 -4.10 118.68 118.78 1qpk s LEU 372 Ca 0.00 -0.55 0.01 0.00 -2.89 0.00 0.00 54.13 50.70 1qpk s LEU 372 Cb 0.00 -1.25 0.02 0.00 0.66 0.00 0.00 46.19 45.62 1qpk s LEU 372 CO 0.00 -0.05 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.53 1qpk s VAL 373 N 1.44 1.97 0.02 1.68 1.01 -1.26 -0.90 120.40 124.35 1qpk s VAL 373 Ca 0.05 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1qpk s VAL 373 Cb -0.13 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1qpk s VAL 373 CO -0.11 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 1qpk s ALA 374 N 1.16 0.29 -0.21 5.51 0.00 -0.48 -0.31 121.76 127.72 1qpk s ALA 374 Ca 0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 1qpk s ALA 374 Cb -0.14 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 1qpk s ALA 374 CO -0.09 -0.07 -0.02 0.99 0.00 0.00 0.00 175.76 176.57 1qpk s THR 375 N -1.11 3.66 -0.18 0.00 2.01 0.68 -0.85 115.64 119.85 1qpk s THR 375 Ca -0.10 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1qpk s THR 375 Cb -0.08 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.79 1qpk s THR 375 CO -0.00 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1qpk s VAL 376 N 1.21 2.36 -0.83 3.82 1.01 0.18 -0.28 120.40 127.87 1qpk s VAL 376 Ca 0.03 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 1qpk s VAL 376 Cb -0.14 -2.01 0.12 0.00 0.00 0.00 0.00 36.38 34.35 1qpk s VAL 376 CO 0.00 0.52 1.02 -0.44 0.00 0.00 0.00 175.10 176.20 1qpk s SER 377 N 1.27 6.49 0.64 3.32 0.01 -0.72 0.02 113.70 124.73 1qpk s SER 377 Ca 0.04 -1.80 -0.09 0.00 1.31 0.00 0.00 55.95 55.40 1qpk s SER 377 Cb -0.14 -2.38 -0.00 0.00 0.21 0.00 0.00 66.02 63.71 1qpk s SER 377 CO -0.09 -1.12 1.01 -0.83 0.41 0.00 0.00 173.24 172.62 1qpk s GLY 378 N 3.56 1.62 0.49 3.44 0.00 -0.01 -3.82 107.32 112.60 1qpk s GLY 378 Ca 0.27 -0.40 0.28 0.00 0.00 0.00 0.00 44.72 44.87 1qpk s GLY 378 CO -0.04 -0.09 1.94 1.48 0.00 0.00 0.00 173.10 176.39 1qpk h SER 379 N -0.41 0.00 0.00 1.64 4.64 -0.82 -3.28 113.55 115.33 1qpk h SER 379 Ca -0.45 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.61 1qpk h SER 379 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1qpk h SER 379 CO 0.63 0.14 -1.97 0.00 -0.87 0.00 0.00 176.83 174.76 1qpk n GLN 380 N -3.37 0.61 -4.00 4.77 1.13 0.70 -4.97 117.38 112.25 1qpk n GLN 380 Ca -0.00 0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 1qpk n GLN 380 Cb 0.35 -1.35 -0.08 0.00 0.11 0.00 0.00 30.24 29.27 1qpk n GLN 380 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1qpk s GLN 381 N -2.34 0.91 -0.08 -1.09 -0.21 0.39 -4.96 119.66 112.28 1qpk s GLN 381 Ca -0.21 -1.18 -0.12 0.00 0.02 0.00 0.00 55.36 53.87 1qpk s GLN 381 Cb 0.06 0.30 -0.05 0.00 1.00 0.00 0.00 33.01 34.32 1qpk s GLN 381 CO 0.42 -0.28 0.28 0.99 -2.12 0.00 0.00 175.29 174.58 1qpk s THR 382 N -3.95 5.26 0.04 -0.19 2.01 -1.26 -0.83 115.64 116.73 1qpk s THR 382 Ca 0.13 0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.75 1qpk s THR 382 Cb 0.06 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1qpk s THR 382 CO -0.05 0.56 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.50 1qpk s LEU 383 N -0.76 2.58 -0.19 4.42 1.43 0.10 -1.50 118.68 124.77 1qpk s LEU 383 Ca 0.19 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1qpk s LEU 383 Cb -0.14 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 1qpk s LEU 383 CO 0.08 0.26 -0.06 -0.69 0.23 0.00 0.00 176.35 176.16 1qpk s VAL 384 N -0.91 3.37 -0.17 -1.59 1.01 -0.33 -0.65 120.40 121.12 1qpk s VAL 384 Ca 0.14 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1qpk s VAL 384 Cb -0.10 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1qpk s VAL 384 CO 0.05 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 174.79 1qpk s VAL 385 N 1.04 2.77 -0.18 2.92 1.01 -0.03 -1.79 120.40 126.14 1qpk s VAL 385 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1qpk s VAL 385 Cb -0.15 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.08 1qpk s VAL 385 CO -0.00 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.49 1qpk s ALA 386 N 0.99 1.89 -0.13 5.51 0.00 -0.05 -1.38 121.76 128.58 1qpk s ALA 386 Ca -0.02 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1qpk s ALA 386 Cb -0.15 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1qpk s ALA 386 CO -0.02 -0.69 -0.22 -0.51 0.00 0.00 0.00 175.76 174.31 1qpk s LEU 387 N 1.45 2.09 -1.59 0.00 1.43 -0.08 -1.94 118.68 120.05 1qpk s LEU 387 Ca 0.01 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 1qpk s LEU 387 Cb -0.15 -1.42 0.11 0.00 0.03 0.00 0.00 46.19 44.75 1qpk s LEU 387 CO -0.09 0.10 0.86 0.59 0.23 0.00 0.00 176.35 178.04 1qpk n ASN 388 N 3.92 -3.78 -4.61 2.29 5.03 -0.30 -1.31 115.26 116.49 1qpk n ASN 388 Ca -0.20 -0.89 -0.28 0.00 0.87 0.00 0.00 54.58 54.09 1qpk n ASN 388 Cb 0.52 -3.39 -0.09 0.00 -1.02 0.00 0.00 39.78 35.80 1qpk n ASN 388 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1qpk s SER 389 N -3.41 4.51 0.00 6.41 0.15 -1.26 -3.50 113.70 116.60 1qpk s SER 389 Ca 0.63 -0.45 0.28 0.00 0.70 0.00 0.00 55.95 57.10 1qpk s SER 389 Cb -0.33 -0.87 1.23 0.00 -1.71 0.00 0.00 66.02 64.34 1qpk s SER 389 CO 0.87 0.12 1.84 -0.90 1.20 0.00 0.00 173.24 176.37 1qpk n ASP 390 N 0.16 1.06 -4.65 5.45 5.75 -1.25 -4.92 116.55 118.16 1qpk n ASP 390 Ca -0.11 -1.40 -0.46 0.00 -0.01 0.00 0.00 54.79 52.81 1qpk n ASP 390 Cb 0.54 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.59 1qpk n ASP 390 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1qpk n LEU 391 N -0.15 2.70 -0.07 -2.12 7.94 -1.26 -4.94 117.00 119.09 1qpk n LEU 391 Ca 0.20 1.14 -0.11 0.00 -1.11 0.00 0.00 56.01 56.13 1qpk n LEU 391 Cb 0.27 -1.37 -0.08 0.00 0.53 0.00 0.00 43.42 42.78 1qpk n LEU 391 CO 0.16 -0.69 -0.05 1.23 -1.11 0.00 0.00 177.39 176.94 1qpk h GLY 392 N 4.06 0.00 -3.03 -3.96 0.00 -2.02 -3.49 103.07 94.62 1qpk h GLY 392 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1qpk h GLY 392 CO 0.75 0.00 -0.26 0.54 0.00 0.00 0.00 176.54 177.57 1qpk s ASN 393 N -6.13 -0.01 0.47 0.19 4.22 -1.26 -5.06 114.94 107.36 1qpk s ASN 393 Ca -0.16 -0.59 0.14 0.00 -2.14 0.00 0.00 52.86 50.11 1qpk s ASN 393 Cb 0.01 0.41 1.10 0.00 1.28 0.00 0.00 41.25 44.05 1qpk s ASN 393 CO 0.42 -0.81 2.06 1.55 -2.04 0.00 0.00 177.10 178.28 1qpk h PRO 394 N 2.58 0.04 0.00 3.55 0.13 -1.95 -2.67 132.00 133.68 1qpk h PRO 394 Ca -0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1qpk h PRO 394 Cb 1.22 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1qpk h PRO 394 CO 0.51 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1qpk n GLY 395 N -1.27 -1.04 0.18 1.56 0.00 -1.26 -1.36 105.19 102.00 1qpk n GLY 395 Ca -0.02 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.29 1qpk n GLY 395 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qpk h GLN 396 N 0.00 0.00 0.00 1.61 4.20 -1.91 -3.36 115.11 115.65 1qpk h GLN 396 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1qpk h GLN 396 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1qpk h GLN 396 CO 0.00 0.00 -0.10 1.55 -0.67 0.00 0.00 178.83 179.61 1qpk n VAL 397 N -2.69 0.00 -3.96 -0.54 3.14 -0.70 -5.08 118.33 108.50 1qpk n VAL 397 Ca 0.04 -0.26 -0.10 0.00 -2.96 0.00 0.00 64.34 61.07 1qpk n VAL 397 Cb 0.42 0.88 -0.11 0.00 -1.06 0.00 0.00 33.84 33.97 1qpk n VAL 397 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1qpk s ALA 398 N -0.72 0.05 0.08 1.55 0.00 -0.47 -5.03 121.76 117.22 1qpk s ALA 398 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 51.96 51.28 1qpk s ALA 398 Cb 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 1qpk s ALA 398 CO 0.00 -0.16 0.60 0.45 0.00 0.00 0.00 175.76 176.65 1qpk s SER 399 N -1.34 7.11 0.00 0.00 0.15 -1.26 -4.21 113.70 114.14 1qpk s SER 399 Ca -0.15 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1qpk s SER 399 Cb -0.09 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1qpk s SER 399 CO -0.01 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.30 1qpk n GLY 400 N 1.73 0.69 3.32 9.45 0.00 -1.26 -5.04 105.19 114.09 1qpk n GLY 400 Ca -0.10 -2.31 -0.34 0.00 0.00 0.00 0.00 46.02 43.27 1qpk n GLY 400 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qpk s SER 401 N -1.18 4.05 0.10 1.61 1.04 -1.26 -4.86 113.70 113.20 1qpk s SER 401 Ca 0.00 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.13 1qpk s SER 401 Cb 0.00 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 1qpk s SER 401 CO 0.00 0.07 -0.17 -0.36 0.98 0.00 0.00 173.24 173.76 1qpk s PHE 402 N 0.93 2.58 0.19 5.02 0.08 -1.26 -4.16 117.98 121.36 1qpk s PHE 402 Ca -0.02 -0.24 0.10 0.00 0.12 0.00 0.00 56.93 56.90 1qpk s PHE 402 Cb -0.15 -1.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 1qpk s PHE 402 CO -0.00 0.37 -0.18 -1.12 -0.10 0.00 0.00 175.22 174.18 1qpk s SER 403 N -2.01 3.75 0.17 1.36 0.01 0.76 -4.91 113.70 112.85 1qpk s SER 403 Ca 0.18 -0.76 -0.30 0.00 1.31 0.00 0.00 55.95 56.38 1qpk s SER 403 Cb -0.11 -0.43 -0.08 0.00 0.21 0.00 0.00 66.02 65.61 1qpk s SER 403 CO 0.10 0.11 1.13 -1.61 0.41 0.00 0.00 173.24 173.38 1qpk s GLU 404 N -2.73 4.56 -0.12 12.44 2.02 -1.26 -0.98 118.70 132.63 1qpk s GLU 404 Ca 0.22 1.76 -0.01 0.00 0.02 0.00 0.00 54.97 56.97 1qpk s GLU 404 Cb -0.08 -3.27 -0.07 0.00 0.10 0.00 0.00 34.13 30.81 1qpk s GLU 404 CO 0.12 0.02 -0.11 0.00 0.02 0.00 0.00 175.26 175.30 1qpk n ALA 405 N 2.46 1.84 -3.14 5.21 0.00 0.17 -4.87 120.51 122.18 1qpk n ALA 405 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 1qpk n ALA 405 Cb 0.46 0.25 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 1qpk n ALA 405 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qpk s VAL 406 N -2.23 0.00 -0.33 0.00 1.01 -0.68 -4.98 120.40 113.20 1qpk s VAL 406 Ca -0.16 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 1qpk s VAL 406 Cb 0.05 -0.05 0.13 0.00 0.00 0.00 0.00 36.38 36.51 1qpk s VAL 406 CO 0.26 0.03 0.25 0.21 0.00 0.00 0.00 175.10 175.85 1qpk s ASN 407 N 0.32 2.37 0.40 3.32 3.04 -1.25 -0.49 114.94 122.64 1qpk s ASN 407 Ca -0.03 -1.56 0.04 0.00 0.04 0.00 0.00 52.86 51.35 1qpk s ASN 407 Cb -0.04 0.04 -0.01 0.00 -1.54 0.00 0.00 41.25 39.70 1qpk s ASN 407 CO -0.01 -0.34 0.13 0.00 -3.04 0.00 0.00 177.10 173.85 1qpk n ALA 408 N 4.60 0.55 -4.14 1.71 0.00 0.54 -4.85 120.51 118.92 1qpk n ALA 408 Ca 0.05 -2.00 -0.28 0.00 0.00 0.00 0.00 53.44 51.21 1qpk n ALA 408 Cb 0.42 1.34 -0.06 0.00 0.00 0.00 0.00 19.45 21.15 1qpk n ALA 408 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1qpk n SER 409 N -1.53 0.28 -3.68 0.00 2.88 -1.26 -1.33 113.62 108.97 1qpk n SER 409 Ca -0.06 -1.14 -0.26 0.00 -1.33 0.00 0.00 58.87 56.08 1qpk n SER 409 Cb 0.59 -2.33 0.07 0.00 -0.75 0.00 0.00 64.21 61.78 1qpk n SER 409 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1qpk n ASN 410 N -2.93 -6.00 0.00 -3.46 5.03 -1.26 -1.64 115.26 105.00 1qpk n ASN 410 Ca -0.31 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.53 1qpk n ASN 410 Cb 0.69 -4.74 0.00 0.00 -1.02 0.00 0.00 39.78 34.71 1qpk n ASN 410 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1qpk n GLY 411 N -1.93 0.69 0.18 7.41 0.00 -0.44 -4.89 105.19 106.21 1qpk n GLY 411 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1qpk n GLY 411 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qpk h GLN 412 N 1.84 0.00 -4.82 1.61 4.20 -0.91 -3.40 115.11 113.62 1qpk h GLN 412 Ca 0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.04 1qpk h GLN 412 Cb 0.00 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 27.42 1qpk h GLN 412 CO 0.00 0.15 -0.76 0.08 -0.67 0.00 0.00 178.83 177.63 1qpk s VAL 413 N -3.14 2.39 -0.07 -0.54 1.01 -1.00 -1.15 120.40 117.90 1qpk s VAL 413 Ca 0.05 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.39 1qpk s VAL 413 Cb 0.06 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1qpk s VAL 413 CO 0.71 -0.12 -0.11 -0.13 0.00 0.00 0.00 175.10 175.45 1qpk s ARG 414 N 1.12 1.62 -0.04 2.72 0.52 -0.82 -0.34 118.95 123.74 1qpk s ARG 414 Ca -0.06 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.79 1qpk s ARG 414 Cb -0.20 -1.38 0.01 0.00 0.52 0.00 0.00 34.95 33.91 1qpk s ARG 414 CO -0.04 -0.01 -0.06 0.08 0.02 0.00 0.00 175.30 175.29 1qpk s VAL 415 N 0.77 0.61 0.09 3.52 1.01 0.36 -0.87 120.40 125.88 1qpk s VAL 415 Ca -0.13 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1qpk s VAL 415 Cb -0.15 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 1qpk s VAL 415 CO 0.02 0.22 -0.19 0.26 0.00 0.00 0.00 175.10 175.42 1qpk s TRP 416 N 0.60 1.60 0.05 5.22 0.51 -0.74 0.43 118.94 126.62 1qpk s TRP 416 Ca -0.09 -0.42 0.04 0.00 -2.12 0.00 0.00 56.10 53.51 1qpk s TRP 416 Cb -0.12 -0.89 -0.02 0.00 -0.81 0.00 0.00 33.47 31.62 1qpk s TRP 416 CO 0.01 0.15 -0.12 -0.98 -0.51 0.00 0.00 176.95 175.49 1qpk s ARG 417 N -1.78 0.78 0.00 4.98 1.70 -0.15 -1.19 118.95 123.29 1qpk s ARG 417 Ca 0.04 -0.79 0.08 0.00 -0.47 0.00 0.00 55.73 54.59 1qpk s ARG 417 Cb -0.10 -0.74 0.47 0.00 -0.57 0.00 0.00 34.95 34.01 1qpk s ARG 417 CO 0.03 0.17 0.92 -1.13 -1.08 0.00 0.00 175.30 174.22