#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qx3 s SER 36 N 0.00 0.90 0.43 0.53 0.15 -1.26 -0.74 113.70 113.70 1qx3 s SER 36 Ca 0.00 -0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.26 1qx3 s SER 36 Cb 0.00 -0.37 -0.09 0.00 -1.71 0.00 0.00 66.02 63.85 1qx3 s SER 36 CO 0.00 -0.02 1.44 -1.22 1.20 0.00 0.00 173.24 174.64 1qx3 n TYR 37 N 3.78 2.76 -2.28 3.44 4.01 -0.52 -4.89 117.16 123.46 1qx3 n TYR 37 Ca -0.23 0.44 -0.43 0.00 -0.16 0.00 0.00 57.90 57.52 1qx3 n TYR 37 Cb 0.52 -2.48 -0.02 0.00 -0.31 0.00 0.00 39.34 37.05 1qx3 n TYR 37 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1qx3 s LYS 38 N -2.34 3.63 -0.19 -0.72 2.20 -1.26 -4.85 119.74 116.21 1qx3 s LYS 38 Ca 0.59 1.15 0.15 0.00 -0.36 0.00 0.00 55.97 57.50 1qx3 s LYS 38 Cb -0.46 -4.03 0.43 0.00 -1.51 0.00 0.00 37.83 32.26 1qx3 s LYS 38 CO 0.59 -1.50 1.31 -1.33 -0.36 0.00 0.00 175.35 174.06 1qx3 n MET 39 N 7.94 1.95 -0.56 4.03 2.81 -1.26 -4.62 117.12 127.40 1qx3 n MET 39 Ca 0.17 -2.88 0.08 0.00 -1.81 0.00 0.00 57.70 53.27 1qx3 n MET 39 Cb 0.47 -1.69 0.32 0.00 -0.71 0.00 0.00 33.22 31.61 1qx3 n MET 39 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1qx3 n ASP 40 N -1.04 4.50 -4.59 7.83 5.68 -1.26 -4.68 116.55 122.98 1qx3 n ASP 40 Ca 0.21 -2.57 -0.29 0.00 -0.50 0.00 0.00 54.79 51.64 1qx3 n ASP 40 Cb 0.80 -0.54 0.20 0.00 -1.14 0.00 0.00 41.12 40.45 1qx3 n ASP 40 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1qx3 s TYR 41 N -2.06 1.66 0.28 2.11 1.51 -1.26 -4.88 117.35 114.71 1qx3 s TYR 41 Ca 0.46 1.32 0.02 0.00 -1.01 0.00 0.00 57.07 57.87 1qx3 s TYR 41 Cb 0.32 -3.18 0.63 0.00 -0.11 0.00 0.00 41.96 39.62 1qx3 s TYR 41 CO 0.19 -3.26 1.77 -1.35 -1.11 0.00 0.00 175.55 171.79 1qx3 h PRO 42 N -2.19 0.68 -6.43 -1.71 0.11 -1.92 -3.42 132.00 117.12 1qx3 h PRO 42 Ca -0.54 -0.04 -0.61 0.00 0.11 0.00 0.00 66.00 64.92 1qx3 h PRO 42 Cb 1.31 -0.15 -0.22 0.00 0.11 0.00 0.00 31.00 32.04 1qx3 h PRO 42 CO 0.50 0.45 -0.84 -1.21 -0.21 0.00 0.00 178.00 176.68 1qx3 s GLU 43 N -5.92 1.27 0.17 1.05 2.02 -0.08 -5.03 118.70 112.17 1qx3 s GLU 43 Ca -0.12 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.61 1qx3 s GLU 43 Cb 0.23 -1.59 0.03 0.00 0.10 0.00 0.00 34.13 32.90 1qx3 s GLU 43 CO 0.79 0.38 1.46 0.52 0.02 0.00 0.00 175.26 178.43 1qx3 h MET 44 N 4.12 0.65 0.00 1.61 2.86 -1.82 0.70 114.93 123.05 1qx3 h MET 44 Ca -0.47 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 56.74 1qx3 h MET 44 Cb 1.17 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1qx3 h MET 44 CO 0.40 1.05 0.00 0.41 1.06 0.00 0.00 176.91 179.82 1qx3 n GLY 45 N 0.35 0.97 3.84 8.32 0.00 -1.26 -0.93 105.19 116.47 1qx3 n GLY 45 Ca -0.04 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1qx3 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qx3 s LEU 46 N 0.00 4.19 -0.39 0.99 1.02 -1.25 -0.38 118.68 122.85 1qx3 s LEU 46 Ca 0.00 1.32 0.01 0.00 0.02 0.00 0.00 54.13 55.48 1qx3 s LEU 46 Cb 0.00 -3.83 0.12 0.00 0.02 0.00 0.00 46.19 42.50 1qx3 s LEU 46 CO 0.00 -0.09 0.18 0.00 0.02 0.00 0.00 176.35 176.46 1qx3 s ILE 48 N 0.79 4.84 -0.27 0.00 -1.09 0.37 -1.64 121.20 124.20 1qx3 s ILE 48 Ca 0.15 1.67 -0.01 0.00 -2.23 0.00 0.00 60.65 60.22 1qx3 s ILE 48 Cb -0.22 -4.16 0.04 0.00 -1.58 0.00 0.00 42.46 36.55 1qx3 s ILE 48 CO -0.08 -0.04 -0.04 -0.63 -1.23 0.00 0.00 174.94 172.92 1qx3 s ILE 49 N 2.53 2.86 -0.38 2.92 1.01 -0.18 0.33 121.20 130.30 1qx3 s ILE 49 Ca 0.38 -1.23 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1qx3 s ILE 49 Cb -0.16 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.77 1qx3 s ILE 49 CO 0.10 0.05 0.32 -0.63 0.00 0.00 0.00 174.94 174.78 1qx3 s ILE 50 N 1.28 5.22 -0.48 2.92 1.09 -0.02 -0.76 121.20 130.45 1qx3 s ILE 50 Ca -0.03 -0.38 -0.05 0.00 -1.10 0.00 0.00 60.65 59.09 1qx3 s ILE 50 Cb -0.18 -3.87 0.13 0.00 -1.06 0.00 0.00 42.46 37.47 1qx3 s ILE 50 CO -0.03 -0.22 0.31 0.21 -0.10 0.00 0.00 174.94 175.11 1qx3 s ASN 51 N 1.72 5.45 -0.45 3.58 2.47 0.16 -1.57 114.94 126.30 1qx3 s ASN 51 Ca 0.07 -2.15 -0.17 0.00 0.42 0.00 0.00 52.86 51.03 1qx3 s ASN 51 Cb -0.18 -1.90 0.04 0.00 -1.45 0.00 0.00 41.25 37.76 1qx3 s ASN 51 CO 0.11 -0.57 0.45 0.20 -3.72 0.00 0.00 177.10 173.57 1qx3 s ASN 52 N 1.93 6.18 -0.22 -4.21 0.01 -0.61 -0.90 114.94 117.11 1qx3 s ASN 52 Ca 0.09 -0.88 -0.16 0.00 -0.71 0.00 0.00 52.86 51.20 1qx3 s ASN 52 Cb -0.23 -2.22 -0.10 0.00 0.41 0.00 0.00 41.25 39.11 1qx3 s ASN 52 CO -0.03 -0.64 -0.29 1.17 -1.51 0.00 0.00 177.10 175.80 1qx3 n LYS 53 N 5.57 0.55 -3.93 -0.60 4.81 -1.26 -4.54 118.16 118.77 1qx3 n LYS 53 Ca -0.09 0.29 -0.36 0.00 -0.87 0.00 0.00 58.31 57.29 1qx3 n LYS 53 Cb 0.46 -1.51 -0.08 0.00 0.02 0.00 0.00 35.03 33.93 1qx3 n LYS 53 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1qx3 s ASN 54 N -6.70 6.01 0.06 3.14 0.01 -1.26 -1.68 114.94 114.53 1qx3 s ASN 54 Ca -0.32 0.26 0.08 0.00 -0.71 0.00 0.00 52.86 52.17 1qx3 s ASN 54 Cb 0.09 -1.98 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 1qx3 s ASN 54 CO 0.45 0.28 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.77 1qx3 s PHE 55 N -0.26 2.52 0.19 2.20 0.40 -1.26 -4.84 117.98 116.93 1qx3 s PHE 55 Ca 0.10 -0.28 -0.32 0.00 -0.60 0.00 0.00 56.93 55.83 1qx3 s PHE 55 Cb -0.12 -1.43 -0.15 0.00 0.51 0.00 0.00 43.02 41.84 1qx3 s PHE 55 CO 0.01 0.27 1.28 1.58 0.70 0.00 0.00 175.22 179.06 1qx3 n HIS 56 N 1.41 1.66 0.18 0.36 -0.00 0.74 -4.80 115.22 114.77 1qx3 n HIS 56 Ca -0.16 0.57 0.18 0.00 -0.00 0.00 0.00 57.72 58.31 1qx3 n HIS 56 Cb 0.52 -2.36 0.76 0.00 -0.00 0.00 0.00 29.99 28.91 1qx3 n HIS 56 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 1qx3 h LYS 57 N 3.85 0.00 -0.04 1.57 1.63 -1.92 0.66 116.57 122.33 1qx3 h LYS 57 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1qx3 h LYS 57 Cb 1.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1qx3 h LYS 57 CO 0.73 0.00 0.00 -1.13 -3.45 0.00 0.00 179.45 175.60 1qx3 n SER 58 N -3.38 0.04 -0.00 4.20 3.41 -1.26 -2.97 113.62 113.65 1qx3 n SER 58 Ca 0.04 -1.68 0.01 0.00 -0.26 0.00 0.00 58.87 56.98 1qx3 n SER 58 Cb 0.54 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 1qx3 n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qx3 n THR 59 N -0.47 0.04 -0.92 6.66 -2.24 0.22 -5.00 114.28 112.57 1qx3 n THR 59 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1qx3 n THR 59 Cb 0.01 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1qx3 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qx3 n GLY 60 N 2.41 1.01 3.72 3.38 0.00 -1.16 -4.98 105.19 109.57 1qx3 n GLY 60 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1qx3 n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qx3 s MET 61 N -0.07 4.38 0.76 1.61 -1.94 -1.26 -5.02 119.30 117.76 1qx3 s MET 61 Ca 0.00 1.96 -0.11 0.00 -1.71 0.00 0.00 55.69 55.83 1qx3 s MET 61 Cb 0.00 -3.27 0.05 0.00 2.01 0.00 0.00 34.83 33.62 1qx3 s MET 61 CO 0.00 -0.32 1.10 -0.08 -0.01 0.00 0.00 175.02 175.71 1qx3 s THR 62 N 0.80 3.24 0.24 2.05 -1.32 -1.26 -4.63 115.64 114.76 1qx3 s THR 62 Ca 0.60 0.40 -0.30 0.00 -1.21 0.00 0.00 61.69 61.19 1qx3 s THR 62 Cb -0.34 -3.24 -0.09 0.00 -1.51 0.00 0.00 72.50 67.32 1qx3 s THR 62 CO 0.32 -0.53 1.08 -0.55 -2.21 0.00 0.00 174.62 172.73 1qx3 s SER 63 N -4.07 7.32 -1.20 8.08 0.15 -1.26 -4.73 113.70 117.98 1qx3 s SER 63 Ca 0.60 2.16 -0.13 0.00 0.70 0.00 0.00 55.95 59.28 1qx3 s SER 63 Cb -0.13 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 61.75 1qx3 s SER 63 CO 0.53 -0.13 1.43 0.54 1.20 0.00 0.00 173.24 176.81 1qx3 n ARG 64 N 1.66 3.41 -2.07 5.44 1.74 -0.67 -5.00 116.66 121.16 1qx3 n ARG 64 Ca 0.00 -3.91 -0.41 0.00 -0.77 0.00 0.00 57.85 52.76 1qx3 n ARG 64 Cb 0.46 -2.98 -0.02 0.00 -1.02 0.00 0.00 32.46 28.89 1qx3 n ARG 64 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qx3 s SER 65 N 2.52 6.72 0.00 0.55 1.04 -1.26 -2.73 113.70 120.53 1qx3 s SER 65 Ca 0.41 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.45 1qx3 s SER 65 Cb -0.03 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1qx3 s SER 65 CO -0.01 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1qx3 n GLY 66 N 2.17 0.91 0.24 7.32 0.00 -1.24 -4.15 105.19 110.44 1qx3 n GLY 66 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1qx3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qx3 h THR 67 N 0.00 1.17 -0.42 2.61 1.03 -1.84 -2.47 112.91 112.99 1qx3 h THR 67 Ca 0.00 -0.77 0.07 0.00 -0.01 0.00 0.00 66.41 65.71 1qx3 h THR 67 Cb 0.00 1.23 -0.02 0.00 -1.07 0.00 0.00 68.15 68.29 1qx3 h THR 67 CO 0.00 0.24 0.29 0.44 -0.01 0.00 0.00 175.52 176.48 1qx3 h ASP 68 N 0.19 0.24 -0.71 0.00 3.32 -1.92 -0.29 116.42 117.26 1qx3 h ASP 68 Ca 0.04 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 1qx3 h ASP 68 Cb 0.37 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1qx3 h ASP 68 CO 0.02 0.15 0.25 0.58 -1.72 0.00 0.00 179.24 178.53 1qx3 h VAL 69 N 0.27 1.25 -0.04 -1.35 2.07 -1.83 -1.21 116.25 115.41 1qx3 h VAL 69 Ca 0.19 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1qx3 h VAL 69 Cb 0.41 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1qx3 h VAL 69 CO -0.04 0.33 -0.00 0.44 0.02 0.00 0.00 177.57 178.32 1qx3 h ASP 70 N 1.06 0.07 -0.69 0.57 3.32 -1.17 -0.41 116.42 119.17 1qx3 h ASP 70 Ca 0.24 -0.31 0.07 0.00 0.02 0.00 0.00 57.03 57.05 1qx3 h ASP 70 Cb 0.25 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 1qx3 h ASP 70 CO -0.01 0.37 0.37 0.00 -1.72 0.00 0.00 179.24 178.25 1qx3 h ALA 71 N 0.71 0.94 -0.32 3.45 0.00 -1.28 0.36 119.26 123.13 1qx3 h ALA 71 Ca 0.01 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1qx3 h ALA 71 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qx3 h ALA 71 CO 0.00 0.03 -0.40 0.00 0.00 0.00 0.00 179.25 178.88 1qx3 h ALA 72 N 1.38 0.69 -0.27 0.00 0.00 -1.15 -0.43 119.26 119.49 1qx3 h ALA 72 Ca 0.32 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1qx3 h ALA 72 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1qx3 h ALA 72 CO -0.21 0.67 -0.07 -0.97 0.00 0.00 0.00 179.25 178.67 1qx3 h ASN 73 N 0.63 0.52 -0.46 0.00 -0.00 -0.48 -2.47 115.58 113.31 1qx3 h ASN 73 Ca 0.05 -0.37 -0.06 0.00 -0.00 0.00 0.00 56.30 55.92 1qx3 h ASN 73 Cb 0.96 -0.14 -0.02 0.00 -0.00 0.00 0.00 38.32 39.12 1qx3 h ASN 73 CO 0.09 0.77 0.06 -0.07 -0.00 0.00 0.00 177.43 178.27 1qx3 h LEU 74 N 0.27 0.75 -0.26 0.34 3.38 -0.23 -0.12 115.31 119.42 1qx3 h LEU 74 Ca 0.07 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1qx3 h LEU 74 Cb 0.54 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1qx3 h LEU 74 CO 0.03 0.83 0.03 -0.09 0.09 0.00 0.00 178.44 179.33 1qx3 h ARG 75 N 0.63 0.12 -0.19 1.13 2.43 -1.04 -0.17 114.38 117.29 1qx3 h ARG 75 Ca 0.14 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1qx3 h ARG 75 Cb 0.42 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1qx3 h ARG 75 CO 0.01 0.08 -0.15 1.49 -1.51 0.00 0.00 179.97 179.89 1qx3 h GLU 76 N 0.12 0.43 -0.18 0.20 4.57 -1.37 -1.57 114.58 116.79 1qx3 h GLU 76 Ca 0.12 -0.21 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1qx3 h GLU 76 Cb 0.14 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1qx3 h GLU 76 CO -0.18 0.77 -0.05 1.15 -1.18 0.00 0.00 179.01 179.52 1qx3 h THR 77 N 0.10 0.80 0.00 0.32 2.02 -0.83 -1.77 112.91 113.56 1qx3 h THR 77 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1qx3 h THR 77 Cb 0.67 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1qx3 h THR 77 CO 0.04 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 175.67 1qx3 h PHE 78 N -0.01 0.00 -0.49 3.16 -1.00 -1.04 -2.90 116.94 114.65 1qx3 h PHE 78 Ca 0.09 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 1qx3 h PHE 78 Cb 0.14 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1qx3 h PHE 78 CO -0.21 0.00 0.06 -0.09 -1.61 0.00 0.00 178.31 176.46 1qx3 h ARG 79 N 0.00 0.83 0.00 1.51 2.43 -0.44 -1.82 114.38 116.89 1qx3 h ARG 79 Ca 0.00 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 1qx3 h ARG 79 Cb 0.66 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1qx3 h ARG 79 CO 0.00 0.84 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.31 1qx3 h ASN 80 N 0.70 0.00 -0.14 -3.80 2.35 -1.19 -1.64 115.58 111.86 1qx3 h ASN 80 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1qx3 h ASN 80 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1qx3 h ASN 80 CO 0.01 0.07 0.00 0.18 -1.65 0.00 0.00 177.43 176.05 1qx3 n LEU 81 N -3.30 1.52 -0.81 1.61 4.77 -0.86 -4.93 117.00 115.00 1qx3 n LEU 81 Ca -0.01 -0.62 -0.06 0.00 -0.03 0.00 0.00 56.01 55.29 1qx3 n LEU 81 Cb 0.27 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1qx3 n LEU 81 CO 0.28 0.31 -0.06 0.29 -1.33 0.00 0.00 177.39 176.88 1qx3 n LYS 82 N 0.22 -0.74 -3.64 3.23 4.76 -0.62 -4.94 118.16 116.44 1qx3 n LYS 82 Ca 0.16 0.30 -0.31 0.00 -2.87 0.00 0.00 58.31 55.59 1qx3 n LYS 82 Cb 0.31 -4.08 -0.05 0.00 -1.84 0.00 0.00 35.03 29.38 1qx3 n LYS 82 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1qx3 s TYR 83 N -2.41 3.47 -0.65 2.13 1.51 -0.74 -4.01 117.35 116.64 1qx3 s TYR 83 Ca 0.02 0.60 -0.23 0.00 -1.01 0.00 0.00 57.07 56.44 1qx3 s TYR 83 Cb -0.01 -2.04 0.06 0.00 -0.11 0.00 0.00 41.96 39.86 1qx3 s TYR 83 CO 0.03 0.41 1.00 -2.00 -1.11 0.00 0.00 175.55 173.88 1qx3 s GLU 84 N -2.70 3.16 0.06 -0.62 2.12 0.48 -4.56 118.70 116.64 1qx3 s GLU 84 Ca 0.42 -0.65 -0.24 0.00 0.36 0.00 0.00 54.97 54.86 1qx3 s GLU 84 Cb -0.12 -4.19 -0.06 0.00 0.26 0.00 0.00 34.13 30.02 1qx3 s GLU 84 CO 0.24 -1.80 0.73 0.08 -0.54 0.00 0.00 175.26 173.97 1qx3 s VAL 85 N 4.27 4.68 -0.13 3.70 1.01 -1.26 -0.60 120.40 132.08 1qx3 s VAL 85 Ca 0.25 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 1qx3 s VAL 85 Cb -0.15 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1qx3 s VAL 85 CO 0.12 0.42 -0.03 -0.13 0.00 0.00 0.00 175.10 175.49 1qx3 s ARG 86 N -0.38 1.07 -0.21 2.72 0.52 -0.65 -4.93 118.95 117.10 1qx3 s ARG 86 Ca 0.36 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.24 1qx3 s ARG 86 Cb -0.21 -1.60 -0.05 0.00 0.52 0.00 0.00 34.95 33.62 1qx3 s ARG 86 CO 0.22 -0.39 0.11 -0.80 0.02 0.00 0.00 175.30 174.47 1qx3 s ASN 87 N 1.79 5.91 -0.08 0.23 -0.87 -1.26 -1.01 114.94 119.65 1qx3 s ASN 87 Ca 0.03 0.12 0.03 0.00 -1.57 0.00 0.00 52.86 51.47 1qx3 s ASN 87 Cb -0.14 -2.04 0.01 0.00 -0.02 0.00 0.00 41.25 39.06 1qx3 s ASN 87 CO -0.07 0.13 -0.19 -0.54 -2.57 0.00 0.00 177.10 173.86 1qx3 s LYS 88 N 0.65 2.45 0.07 -0.60 -0.14 0.06 -4.99 119.74 117.24 1qx3 s LYS 88 Ca 0.06 -0.67 0.05 0.00 -1.36 0.00 0.00 55.97 54.05 1qx3 s LYS 88 Cb -0.12 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 1qx3 s LYS 88 CO 0.01 0.11 -0.06 -0.80 -0.76 0.00 0.00 175.35 173.85 1qx3 s ASN 89 N 0.49 4.67 -0.62 2.83 -0.87 -1.26 0.39 114.94 120.56 1qx3 s ASN 89 Ca -0.17 -0.24 -0.11 0.00 -1.57 0.00 0.00 52.86 50.77 1qx3 s ASN 89 Cb -0.17 -1.03 0.02 0.00 -0.02 0.00 0.00 41.25 40.05 1qx3 s ASN 89 CO 0.07 0.21 0.54 0.47 -2.57 0.00 0.00 177.10 175.82 1qx3 n ASP 90 N 0.94 -4.34 -4.89 -1.22 8.00 -0.07 -4.93 116.55 110.03 1qx3 n ASP 90 Ca -0.13 -0.64 -0.29 0.00 0.71 0.00 0.00 54.79 54.44 1qx3 n ASP 90 Cb 0.52 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.20 1qx3 n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qx3 s LEU 91 N -3.83 4.22 0.58 0.64 1.43 -1.26 -4.90 118.68 115.56 1qx3 s LEU 91 Ca 0.11 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1qx3 s LEU 91 Cb -0.01 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1qx3 s LEU 91 CO 0.78 0.13 0.88 0.42 0.23 0.00 0.00 176.35 178.79 1qx3 s THR 92 N -1.57 3.60 0.40 5.49 -4.23 -1.26 0.36 115.64 118.43 1qx3 s THR 92 Ca 0.34 -0.06 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 1qx3 s THR 92 Cb -0.12 -3.43 0.35 0.00 1.34 0.00 0.00 72.50 70.64 1qx3 s THR 92 CO 0.27 -0.43 1.88 0.08 -0.54 0.00 0.00 174.62 175.89 1qx3 h ARG 93 N -0.14 0.50 0.09 3.99 0.11 -1.86 0.02 114.38 117.09 1qx3 h ARG 93 Ca -0.45 -0.03 -0.28 0.00 0.10 0.00 0.00 59.98 59.31 1qx3 h ARG 93 Cb 1.26 -0.11 0.02 0.00 1.11 0.00 0.00 29.97 32.25 1qx3 h ARG 93 CO 0.60 0.33 -1.18 1.05 0.10 0.00 0.00 179.97 180.87 1qx3 h GLU 94 N 0.52 0.55 -0.77 0.08 9.09 -1.95 -2.84 114.58 119.26 1qx3 h GLU 94 Ca 0.42 -0.71 -0.05 0.00 0.05 0.00 0.00 59.36 59.07 1qx3 h GLU 94 Cb 0.88 0.23 -0.03 0.00 -1.65 0.00 0.00 28.75 28.18 1qx3 h GLU 94 CO -0.17 1.31 0.27 0.93 0.05 0.00 0.00 179.01 181.40 1qx3 h GLU 95 N 0.25 1.18 0.55 1.06 5.08 -1.64 -0.63 114.58 120.43 1qx3 h GLU 95 Ca -0.16 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1qx3 h GLU 95 Cb 1.85 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.93 1qx3 h GLU 95 CO 0.22 0.98 -0.27 0.82 -1.00 0.00 0.00 179.01 179.76 1qx3 h ILE 96 N 1.14 0.44 -0.44 3.13 2.04 -1.10 0.18 117.51 122.91 1qx3 h ILE 96 Ca 0.25 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 66.08 1qx3 h ILE 96 Cb 0.27 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 1qx3 h ILE 96 CO -0.01 0.02 0.05 0.58 0.00 0.00 0.00 178.15 178.78 1qx3 h VAL 97 N -0.81 0.71 -0.64 1.67 2.07 -1.35 -1.05 116.25 116.86 1qx3 h VAL 97 Ca -0.08 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1qx3 h VAL 97 Cb 0.60 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1qx3 h VAL 97 CO 0.12 0.03 0.22 -0.08 0.02 0.00 0.00 177.57 177.88 1qx3 h GLU 98 N 0.16 0.98 -0.46 1.57 4.57 -1.03 -1.58 114.58 118.80 1qx3 h GLU 98 Ca 0.22 -0.20 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1qx3 h GLU 98 Cb 0.30 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1qx3 h GLU 98 CO -0.32 0.85 0.21 1.25 -1.18 0.00 0.00 179.01 179.82 1qx3 h LEU 99 N 0.91 0.28 -0.73 1.64 5.85 0.15 -0.72 115.31 122.69 1qx3 h LEU 99 Ca 0.21 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 1qx3 h LEU 99 Cb 0.26 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1qx3 h LEU 99 CO -0.01 0.20 0.14 0.24 -0.34 0.00 0.00 178.44 178.67 1qx3 h MET 100 N 0.42 1.11 -0.16 1.25 2.86 -0.99 -1.79 114.93 117.62 1qx3 h MET 100 Ca 0.21 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1qx3 h MET 100 Cb 0.15 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1qx3 h MET 100 CO -0.17 0.99 0.08 -0.09 1.06 0.00 0.00 176.91 178.78 1qx3 h ARG 101 N 1.05 0.16 -0.27 1.72 2.43 -0.64 -0.62 114.38 118.20 1qx3 h ARG 101 Ca 0.21 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.29 1qx3 h ARG 101 Cb 0.40 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1qx3 h ARG 101 CO 0.01 0.11 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.95 1qx3 h ASP 102 N 0.17 0.47 -0.41 -3.80 3.32 -1.00 -2.26 116.42 112.91 1qx3 h ASP 102 Ca 0.06 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1qx3 h ASP 102 Cb 0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1qx3 h ASP 102 CO -0.05 0.67 -0.18 0.58 -1.72 0.00 0.00 179.24 178.55 1qx3 h VAL 103 N 0.43 1.28 0.00 -1.35 2.07 -1.00 -2.75 116.25 114.93 1qx3 h VAL 103 Ca 0.07 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1qx3 h VAL 103 Cb 0.57 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1qx3 h VAL 103 CO 0.04 0.44 -0.05 0.77 0.02 0.00 0.00 177.57 178.79 1qx3 h SER 104 N 0.65 0.00 0.04 0.57 4.64 -0.93 -2.40 113.55 116.12 1qx3 h SER 104 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1qx3 h SER 104 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1qx3 h SER 104 CO 0.06 0.05 -0.03 0.29 -0.87 0.00 0.00 176.83 176.32 1qx3 n LYS 105 N -3.18 1.35 -1.92 4.77 5.02 -0.87 -4.76 118.16 118.57 1qx3 n LYS 105 Ca -0.00 -0.63 -0.29 0.00 -2.02 0.00 0.00 58.31 55.37 1qx3 n LYS 105 Cb 0.30 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1qx3 n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1qx3 s GLU 106 N -2.08 2.21 -0.47 1.97 2.02 -0.91 -5.02 118.70 116.42 1qx3 s GLU 106 Ca 0.39 0.17 -0.17 0.00 0.02 0.00 0.00 54.97 55.37 1qx3 s GLU 106 Cb 0.21 -1.99 0.05 0.00 0.10 0.00 0.00 34.13 32.50 1qx3 s GLU 106 CO 0.37 -1.43 0.50 0.34 0.02 0.00 0.00 175.26 175.06 1qx3 s ASP 107 N -4.52 6.19 -0.30 -0.19 -1.08 -1.26 -4.88 116.67 110.63 1qx3 s ASP 107 Ca 0.61 -0.94 0.10 0.00 -0.52 0.00 0.00 52.55 51.79 1qx3 s ASP 107 Cb -0.11 -2.24 0.74 0.00 -1.46 0.00 0.00 42.92 39.85 1qx3 s ASP 107 CO 0.49 -0.72 1.77 1.41 0.52 0.00 0.00 175.17 178.64 1qx3 n HIS 108 N 5.71 2.36 -0.16 -5.34 8.25 -1.26 -4.64 115.22 120.14 1qx3 n HIS 108 Ca -0.08 -1.10 -0.03 0.00 -0.26 0.00 0.00 57.72 56.25 1qx3 n HIS 108 Cb 0.46 -0.66 0.06 0.00 1.12 0.00 0.00 29.99 30.97 1qx3 n HIS 108 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1qx3 h SER 109 N 2.77 0.08 -0.27 0.41 0.02 -1.92 -1.49 113.55 113.15 1qx3 h SER 109 Ca 0.23 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1qx3 h SER 109 Cb 2.25 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.88 1qx3 h SER 109 CO 0.69 0.07 0.00 0.29 -1.14 0.00 0.00 176.83 176.75 1qx3 n LYS 110 N -5.06 1.71 -4.04 3.45 4.01 -1.26 -4.85 118.16 112.12 1qx3 n LYS 110 Ca 0.05 -1.02 -0.35 0.00 -0.51 0.00 0.00 58.31 56.48 1qx3 n LYS 110 Cb 0.22 -1.26 -0.09 0.00 -0.51 0.00 0.00 35.03 33.39 1qx3 n LYS 110 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1qx3 s ARG 111 N -1.63 3.72 0.27 1.97 0.52 -0.56 -0.90 118.95 122.33 1qx3 s ARG 111 Ca 0.19 -0.31 0.13 0.00 -0.52 0.00 0.00 55.73 55.21 1qx3 s ARG 111 Cb 0.10 -3.14 0.29 0.00 0.52 0.00 0.00 34.95 32.71 1qx3 s ARG 111 CO 0.12 0.44 1.55 0.77 0.02 0.00 0.00 175.30 178.20 1qx3 h SER 112 N 6.11 0.00 -1.59 0.23 0.02 -0.63 -3.47 113.55 114.22 1qx3 h SER 112 Ca -0.43 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1qx3 h SER 112 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1qx3 h SER 112 CO 0.66 0.61 0.14 -1.54 -1.14 0.00 0.00 176.83 175.56 1qx3 n SER 113 N -3.54 -0.78 -3.81 3.07 3.41 -0.10 -4.31 113.62 107.56 1qx3 n SER 113 Ca -0.00 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 56.98 1qx3 n SER 113 Cb 0.67 1.28 -0.14 0.00 -0.26 0.00 0.00 64.21 65.76 1qx3 n SER 113 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qx3 s PHE 114 N -5.90 -0.07 -0.01 7.33 5.36 -0.84 -3.87 117.98 119.98 1qx3 s PHE 114 Ca 0.07 0.23 0.04 0.00 -0.96 0.00 0.00 56.93 56.30 1qx3 s PHE 114 Cb -0.02 -0.06 -0.01 0.00 -0.34 0.00 0.00 43.02 42.59 1qx3 s PHE 114 CO 0.04 -0.07 -0.14 0.08 -1.46 0.00 0.00 175.22 173.66 1qx3 s VAL 115 N 0.51 1.08 -0.05 3.12 1.01 0.07 -0.83 120.40 125.31 1qx3 s VAL 115 Ca -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1qx3 s VAL 115 Cb -0.06 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1qx3 s VAL 115 CO -0.02 0.29 0.09 0.00 0.00 0.00 0.00 175.10 175.46 1qx3 s VAL 117 N 1.73 3.29 -0.20 0.00 1.01 0.15 -1.04 120.40 125.34 1qx3 s VAL 117 Ca -0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1qx3 s VAL 117 Cb -0.12 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1qx3 s VAL 117 CO -0.04 0.49 -0.03 -0.76 0.00 0.00 0.00 175.10 174.76 1qx3 s LEU 118 N 0.72 3.04 -0.24 3.92 1.43 -0.17 -0.84 118.68 126.53 1qx3 s LEU 118 Ca -0.04 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1qx3 s LEU 118 Cb -0.15 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.36 1qx3 s LEU 118 CO 0.02 0.03 -0.06 -0.76 0.23 0.00 0.00 176.35 175.82 1qx3 s LEU 119 N 1.16 2.76 0.00 1.79 1.43 -0.61 -0.99 118.68 124.22 1qx3 s LEU 119 Ca 0.02 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.88 1qx3 s LEU 119 Cb -0.15 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.83 1qx3 s LEU 119 CO -0.00 -0.23 0.00 -1.54 0.23 0.00 0.00 176.35 174.81 1qx3 n SER 120 N 4.62 0.00 -4.85 2.29 3.41 -1.00 -1.58 113.62 116.52 1qx3 n SER 120 Ca -0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.18 1qx3 n SER 120 Cb 0.44 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.42 1qx3 n SER 120 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1qx3 s HIS 121 N -3.00 3.35 0.18 7.33 3.76 -1.26 -4.11 115.29 121.53 1qx3 s HIS 121 Ca 0.00 1.33 -0.23 0.00 -0.15 0.00 0.00 55.06 56.01 1qx3 s HIS 121 Cb 0.00 -2.82 0.08 0.00 1.11 0.00 0.00 32.58 30.94 1qx3 s HIS 121 CO 0.00 -1.00 1.03 0.20 -0.85 0.00 0.00 174.74 174.13 1qx3 s GLY 122 N -4.01 0.05 0.26 -2.22 0.00 -1.26 -1.03 107.32 99.12 1qx3 s GLY 122 Ca 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 44.72 45.02 1qx3 s GLY 122 CO 0.54 2.03 0.30 -0.54 0.00 0.00 0.00 173.10 175.44 1qx3 s GLU 123 N -2.34 1.52 -0.13 2.90 2.02 -0.94 -4.18 118.70 117.54 1qx3 s GLU 123 Ca 0.20 -1.64 -0.34 0.00 0.02 0.00 0.00 54.97 53.21 1qx3 s GLU 123 Cb -0.02 0.36 -0.11 0.00 0.10 0.00 0.00 34.13 34.45 1qx3 s GLU 123 CO 0.05 -0.57 1.94 -1.91 0.02 0.00 0.00 175.26 174.79 1qx3 n GLU 124 N -0.42 2.02 -0.98 1.61 4.07 -1.13 -1.22 120.64 124.61 1qx3 n GLU 124 Ca 0.02 0.72 0.00 0.00 -0.06 0.00 0.00 57.16 57.84 1qx3 n GLU 124 Cb 0.64 -2.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.35 1qx3 n GLU 124 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qx3 n GLY 125 N 4.75 0.77 3.09 8.31 0.00 -1.26 -5.02 105.19 115.83 1qx3 n GLY 125 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1qx3 n GLY 125 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qx3 s ILE 126 N -3.06 0.14 0.02 -0.61 -4.36 -0.35 -1.06 121.20 111.91 1qx3 s ILE 126 Ca 0.00 -1.12 0.06 0.00 -0.26 0.00 0.00 60.65 59.33 1qx3 s ILE 126 Cb 0.00 -0.83 -0.02 0.00 1.25 0.00 0.00 42.46 42.86 1qx3 s ILE 126 CO 0.00 -0.62 -0.19 0.27 0.24 0.00 0.00 174.94 174.64 1qx3 s ILE 127 N -2.49 1.51 -0.11 8.37 -5.25 0.34 -2.22 121.20 121.35 1qx3 s ILE 127 Ca -0.06 -1.01 -0.21 0.00 -0.99 0.00 0.00 60.65 58.39 1qx3 s ILE 127 Cb -0.02 -1.30 -0.04 0.00 2.95 0.00 0.00 42.46 44.06 1qx3 s ILE 127 CO -0.04 0.27 0.60 -0.36 -1.79 0.00 0.00 174.94 173.61 1qx3 s PHE 128 N -0.66 3.52 0.00 1.37 0.40 -0.19 0.35 117.98 122.77 1qx3 s PHE 128 Ca 0.07 1.05 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 1qx3 s PHE 128 Cb -0.08 -2.70 0.00 0.00 0.51 0.00 0.00 43.02 40.75 1qx3 s PHE 128 CO 0.01 0.08 0.00 0.41 0.70 0.00 0.00 175.22 176.41 1qx3 n GLY 129 N 3.29 -0.77 0.17 4.36 0.00 0.20 -4.61 105.19 107.83 1qx3 n GLY 129 Ca -0.04 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.35 1qx3 n GLY 129 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qx3 h THR 130 N -0.54 0.78 0.00 2.61 2.02 -0.34 -3.34 112.91 114.09 1qx3 h THR 130 Ca 0.00 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1qx3 h THR 130 Cb 0.00 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 1qx3 h THR 130 CO 0.00 0.40 -0.28 -0.46 0.37 0.00 0.00 175.52 175.55 1qx3 n ASN 131 N -3.30 1.35 0.00 4.18 6.94 -1.26 -0.19 115.26 122.98 1qx3 n ASN 131 Ca 0.01 -2.69 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1qx3 n ASN 131 Cb 0.63 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 1qx3 n ASN 131 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qx3 n GLY 132 N -0.77 2.59 3.79 4.83 0.00 -1.25 -4.91 105.19 109.47 1qx3 n GLY 132 Ca 0.10 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.83 1qx3 n GLY 132 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qx3 s PRO 133 N -2.00 4.10 -0.04 1.61 0.04 -1.26 0.63 135.00 138.07 1qx3 s PRO 133 Ca 0.00 1.47 0.04 0.00 0.04 0.00 0.00 61.00 62.54 1qx3 s PRO 133 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1qx3 s PRO 133 CO 0.00 -0.19 -0.15 0.08 0.04 0.00 0.00 177.00 176.79 1qx3 s VAL 134 N -1.74 1.25 -0.04 -0.36 1.01 0.16 -4.82 120.40 115.86 1qx3 s VAL 134 Ca 0.60 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1qx3 s VAL 134 Cb -0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1qx3 s VAL 134 CO 0.25 0.37 1.32 -1.81 0.00 0.00 0.00 175.10 175.23 1qx3 s ASP 135 N 0.18 6.93 0.36 3.32 1.11 -1.26 -0.50 116.67 126.80 1qx3 s ASP 135 Ca -0.06 1.97 0.05 0.00 0.18 0.00 0.00 52.55 54.69 1qx3 s ASP 135 Cb -0.12 -2.56 0.72 0.00 1.07 0.00 0.00 42.92 42.03 1qx3 s ASP 135 CO 0.02 -0.68 1.97 -0.07 1.18 0.00 0.00 175.17 177.59 1qx3 h LEU 136 N 8.47 0.68 -1.42 1.23 3.38 -1.43 -2.13 115.31 124.08 1qx3 h LEU 136 Ca -0.36 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1qx3 h LEU 136 Cb 1.17 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1qx3 h LEU 136 CO 0.90 0.45 0.10 0.11 0.09 0.00 0.00 178.44 180.09 1qx3 h LYS 137 N 0.78 0.49 -0.22 1.13 1.79 -1.92 -1.56 116.57 117.05 1qx3 h LYS 137 Ca 0.30 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.62 1qx3 h LYS 137 Cb 0.20 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1qx3 h LYS 137 CO -0.10 0.44 -0.21 -0.22 -1.08 0.00 0.00 179.45 178.28 1qx3 h LYS 138 N 0.48 0.40 0.12 3.15 3.64 -1.78 -0.22 116.57 122.37 1qx3 h LYS 138 Ca 0.12 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1qx3 h LYS 138 Cb 0.17 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1qx3 h LYS 138 CO -0.01 0.60 -0.06 0.82 -2.27 0.00 0.00 179.45 178.54 1qx3 h ILE 139 N 0.37 1.08 0.00 2.00 1.08 -1.24 -3.30 117.51 117.49 1qx3 h ILE 139 Ca 0.06 -0.94 -0.09 0.00 -0.39 0.00 0.00 64.86 63.50 1qx3 h ILE 139 Cb 0.58 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1qx3 h ILE 139 CO 0.04 0.22 -0.43 0.71 -0.69 0.00 0.00 178.15 178.00 1qx3 h THR 140 N -0.61 1.14 -0.32 -0.27 1.35 -1.26 -3.20 112.91 109.73 1qx3 h THR 140 Ca -0.02 -1.55 0.08 0.00 -0.55 0.00 0.00 66.41 64.37 1qx3 h THR 140 Cb 0.48 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.76 1qx3 h THR 140 CO 0.03 0.42 0.23 0.78 -0.25 0.00 0.00 175.52 176.72 1qx3 h ASN 141 N 0.00 0.06 0.03 5.36 2.35 -1.10 -0.81 115.58 121.46 1qx3 h ASN 141 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1qx3 h ASN 141 Cb 0.84 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1qx3 h ASN 141 CO 0.06 0.04 -0.00 -0.26 -1.65 0.00 0.00 177.43 175.61 1qx3 h PHE 142 N 0.06 0.00 -0.50 1.19 0.04 -1.68 -1.98 116.94 114.07 1qx3 h PHE 142 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1qx3 h PHE 142 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1qx3 h PHE 142 CO -0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1qx3 n PHE 143 N -3.27 0.71 -1.58 -0.55 3.72 -0.31 -4.20 117.46 111.98 1qx3 n PHE 143 Ca -0.03 -0.51 -0.38 0.00 -0.05 0.00 0.00 57.45 56.48 1qx3 n PHE 143 Cb 0.08 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.63 1qx3 n PHE 143 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qx3 n ARG 144 N 0.94 0.85 0.32 -1.08 1.74 -0.75 -4.59 116.66 114.09 1qx3 n ARG 144 Ca 0.17 0.33 0.11 0.00 -0.77 0.00 0.00 57.85 57.69 1qx3 n ARG 144 Cb 0.53 -2.06 0.57 0.00 -1.02 0.00 0.00 32.46 30.49 1qx3 n ARG 144 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1qx3 h GLY 145 N 0.52 0.00 0.00 -0.13 0.00 -1.37 0.22 103.07 102.32 1qx3 h GLY 145 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1qx3 h GLY 145 CO 0.50 0.00 -0.98 2.09 0.00 0.00 0.00 176.54 178.15 1qx3 n ASP 146 N -2.73 0.84 -0.01 0.19 5.75 -1.26 -4.44 116.55 114.90 1qx3 n ASP 146 Ca -0.01 -0.72 0.10 0.00 -0.01 0.00 0.00 54.79 54.14 1qx3 n ASP 146 Cb 0.54 1.15 -0.14 0.00 -1.03 0.00 0.00 41.12 41.64 1qx3 n ASP 146 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qx3 n ARG 147 N -1.53 0.60 -3.46 0.11 1.74 0.01 -4.65 116.66 109.49 1qx3 n ARG 147 Ca 0.02 -0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 1qx3 n ARG 147 Cb 0.30 -1.45 -0.10 0.00 -1.02 0.00 0.00 32.46 30.19 1qx3 n ARG 147 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qx3 h ARG 149 N 5.49 0.00 0.00 0.00 2.47 -1.83 -1.54 114.38 118.98 1qx3 h ARG 149 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1qx3 h ARG 149 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1qx3 h ARG 149 CO 0.43 0.00 0.00 -1.13 0.56 0.00 0.00 179.97 179.83 1qx3 n SER 150 N -4.04 0.00 -0.03 7.04 3.41 -1.26 -2.71 113.62 116.02 1qx3 n SER 150 Ca -0.01 -0.09 0.01 0.00 -0.26 0.00 0.00 58.87 58.51 1qx3 n SER 150 Cb 0.17 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1qx3 n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qx3 n LEU 151 N -1.26 0.82 -4.67 1.04 4.77 -0.59 -4.10 117.00 113.01 1qx3 n LEU 151 Ca 0.11 -0.87 -0.46 0.00 -0.03 0.00 0.00 56.01 54.77 1qx3 n LEU 151 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 1qx3 n LEU 151 CO 0.17 0.20 1.12 0.41 -1.33 0.00 0.00 177.39 177.95 1qx3 n THR 152 N -0.22 0.37 -0.98 -5.08 -1.04 -1.10 -0.26 114.28 105.96 1qx3 n THR 152 Ca 0.01 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1qx3 n THR 152 Cb 0.03 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 1qx3 n THR 152 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qx3 n GLY 153 N 2.89 0.96 3.59 3.41 0.00 -1.26 -5.01 105.19 109.75 1qx3 n GLY 153 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1qx3 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qx3 s LYS 154 N -0.02 2.48 0.12 1.61 1.02 0.64 -4.95 119.74 120.63 1qx3 s LYS 154 Ca 0.00 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 54.91 1qx3 s LYS 154 Cb 0.00 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1qx3 s LYS 154 CO 0.00 0.59 1.71 -1.25 -0.92 0.00 0.00 175.35 175.48 1qx3 s PRO 155 N -1.51 4.17 -0.32 -1.68 0.04 -1.26 -4.85 135.00 129.59 1qx3 s PRO 155 Ca 0.17 2.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 1qx3 s PRO 155 Cb -0.11 -3.48 0.06 0.00 0.04 0.00 0.00 34.50 31.02 1qx3 s PRO 155 CO 0.08 -0.75 0.03 0.15 0.04 0.00 0.00 177.00 176.55 1qx3 s LYS 156 N 2.30 2.29 -0.26 4.56 1.02 -0.39 -1.99 119.74 127.27 1qx3 s LYS 156 Ca 0.76 -1.40 -0.09 0.00 0.02 0.00 0.00 55.97 55.26 1qx3 s LYS 156 Cb -0.44 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1qx3 s LYS 156 CO 0.33 -0.71 0.11 -0.51 -0.92 0.00 0.00 175.35 173.65 1qx3 s LEU 157 N 1.20 3.66 -0.21 3.17 1.02 -0.01 -0.56 118.68 126.95 1qx3 s LEU 157 Ca -0.02 -0.13 -0.03 0.00 0.02 0.00 0.00 54.13 53.97 1qx3 s LEU 157 Cb -0.20 -1.99 -0.00 0.00 0.02 0.00 0.00 46.19 44.01 1qx3 s LEU 157 CO -0.02 -0.04 -0.08 -0.36 0.02 0.00 0.00 176.35 175.87 1qx3 s PHE 158 N 1.64 2.91 -0.32 0.29 0.40 0.28 -1.23 117.98 121.94 1qx3 s PHE 158 Ca 0.07 -1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 55.23 1qx3 s PHE 158 Cb -0.15 -2.06 0.04 0.00 0.51 0.00 0.00 43.02 41.35 1qx3 s PHE 158 CO 0.06 -0.61 0.08 0.42 0.70 0.00 0.00 175.22 175.88 1qx3 s ILE 159 N 1.43 3.69 -0.37 0.64 1.01 -0.21 -0.57 121.20 126.81 1qx3 s ILE 159 Ca 0.05 -1.09 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 1qx3 s ILE 159 Cb -0.14 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.33 1qx3 s ILE 159 CO -0.06 -0.12 0.17 -0.63 0.00 0.00 0.00 174.94 174.31 1qx3 s ILE 160 N 1.40 3.95 -0.71 2.92 1.09 -0.17 -1.00 121.20 128.68 1qx3 s ILE 160 Ca -0.01 -1.27 -0.13 0.00 -1.10 0.00 0.00 60.65 58.14 1qx3 s ILE 160 Cb -0.19 -3.33 0.18 0.00 -1.06 0.00 0.00 42.46 38.07 1qx3 s ILE 160 CO 0.02 -0.33 0.64 -1.58 -0.10 0.00 0.00 174.94 173.60 1qx3 s GLN 161 N 1.40 3.28 -0.20 2.79 2.00 -0.16 -1.31 119.66 127.46 1qx3 s GLN 161 Ca 0.01 -2.23 -0.28 0.00 -2.00 0.00 0.00 55.36 50.86 1qx3 s GLN 161 Cb -0.21 -4.30 0.13 0.00 0.80 0.00 0.00 33.01 29.43 1qx3 s GLN 161 CO 0.02 -1.28 1.04 0.00 -0.50 0.00 0.00 175.29 174.56 1qx3 s ALA 162 N 0.60 -1.96 0.73 1.58 0.00 -1.26 -2.36 121.76 119.08 1qx3 s ALA 162 Ca 0.13 1.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.62 1qx3 s ALA 162 Cb -0.17 -0.98 0.01 0.00 0.00 0.00 0.00 23.12 21.98 1qx3 s ALA 162 CO -0.05 -0.28 0.96 0.00 0.00 0.00 0.00 175.76 176.40 1qx3 n ARG 164 N -1.90 1.13 -2.56 0.00 1.74 -0.22 -2.24 116.66 112.61 1qx3 n ARG 164 Ca 0.13 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 1qx3 n ARG 164 Cb 0.49 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1qx3 n ARG 164 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qx3 n GLY 165 N -0.97 -0.05 0.06 -0.13 0.00 -1.21 -1.14 105.19 101.74 1qx3 n GLY 165 Ca 0.10 -1.41 0.01 0.00 0.00 0.00 0.00 46.02 44.73 1qx3 n GLY 165 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qx3 n THR 166 N 9.00 0.00 -1.84 2.61 -2.24 -1.15 -3.65 114.28 117.02 1qx3 n THR 166 Ca 0.00 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 60.92 1qx3 n THR 166 Cb 0.00 1.03 0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1qx3 n THR 166 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1qx3 s GLU 167 N -0.72 3.37 -0.01 -0.78 2.12 -0.99 -4.59 118.70 117.10 1qx3 s GLU 167 Ca 0.02 2.24 0.08 0.00 0.36 0.00 0.00 54.97 57.68 1qx3 s GLU 167 Cb 0.02 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.99 1qx3 s GLU 167 CO 0.07 -1.01 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.02 1qx3 s LEU 168 N -3.22 2.06 -0.25 2.70 1.43 -1.26 -1.25 118.68 118.89 1qx3 s LEU 168 Ca 0.67 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 1qx3 s LEU 168 Cb -0.40 -1.31 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1qx3 s LEU 168 CO 0.49 0.31 0.58 -0.62 0.23 0.00 0.00 176.35 177.34 1qx3 s ASP 169 N -0.67 6.52 0.00 2.29 -1.08 -1.26 -4.94 116.67 117.54 1qx3 s ASP 169 Ca 0.10 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 53.05 1qx3 s ASP 169 Cb -0.10 -2.31 1.19 0.00 -1.46 0.00 0.00 42.92 40.23 1qx3 s ASP 169 CO -0.01 -0.33 1.89 0.00 0.52 0.00 0.00 175.17 177.25 1qx3 n GLY 171 N 1.50 -1.96 3.45 0.00 0.00 -1.26 -4.74 105.19 102.18 1qx3 n GLY 171 Ca 0.07 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 1qx3 n GLY 171 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qx3 s ILE 172 N -2.16 0.04 0.00 -0.61 1.10 -1.26 -5.08 121.20 113.24 1qx3 s ILE 172 Ca 0.00 -0.84 0.00 0.00 -0.51 0.00 0.00 60.65 59.30 1qx3 s ILE 172 Cb 0.00 -1.55 0.00 0.00 0.15 0.00 0.00 42.46 41.06 1qx3 s ILE 172 CO 0.00 -0.18 0.00 1.21 -2.11 0.00 0.00 174.94 173.86 1qx3 n GLU 173 N -0.30 0.00 -0.75 3.50 0.00 -1.26 -5.23 120.64 116.60 1qx3 n GLU 173 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.15 1qx3 n GLU 173 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 32.03 1qx3 n GLU 173 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1qx3 n HIS 185 N 0.00 -1.94 -4.06 4.31 -0.00 -1.26 -5.28 115.22 106.99 1qx3 n HIS 185 Ca 0.00 1.00 -0.11 0.00 -0.00 0.00 0.00 57.72 58.61 1qx3 n HIS 185 Cb 0.00 -1.76 -0.06 0.00 -0.00 0.00 0.00 29.99 28.17 1qx3 n HIS 185 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1qx3 s LYS 186 N -2.35 1.56 0.11 -1.40 1.02 -1.26 -5.18 119.74 112.23 1qx3 s LYS 186 Ca 0.00 -1.45 0.04 0.00 0.02 0.00 0.00 55.97 54.58 1qx3 s LYS 186 Cb 0.00 0.42 -0.04 0.00 -0.52 0.00 0.00 37.83 37.69 1qx3 s LYS 186 CO 0.00 -0.62 -0.10 0.96 -0.92 0.00 0.00 175.35 174.66 1qx3 s ILE 187 N -3.82 1.01 0.59 2.17 -0.00 -1.26 -5.13 121.20 114.75 1qx3 s ILE 187 Ca 0.28 -1.71 -0.20 0.00 -0.00 0.00 0.00 60.65 59.02 1qx3 s ILE 187 Cb 0.01 -1.45 -0.03 0.00 -0.00 0.00 0.00 42.46 40.98 1qx3 s ILE 187 CO 0.12 -0.58 1.31 -2.84 -0.00 0.00 0.00 174.94 172.96 1qx3 s PRO 188 N -2.93 2.92 0.51 0.37 0.02 -1.26 -4.89 135.00 129.75 1qx3 s PRO 188 Ca 0.07 2.12 0.30 0.00 0.02 0.00 0.00 61.00 63.52 1qx3 s PRO 188 Cb -0.02 -2.07 1.12 0.00 0.02 0.00 0.00 34.50 33.54 1qx3 s PRO 188 CO 0.00 -1.33 1.89 -0.39 -0.33 0.00 0.00 177.00 176.85 1qx3 h VAL 189 N 1.07 0.09 -0.31 3.83 -1.51 -1.98 -2.73 116.25 114.71 1qx3 h VAL 189 Ca -0.51 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 1qx3 h VAL 189 Cb 1.31 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1qx3 h VAL 189 CO 0.56 0.04 0.00 0.47 -1.23 0.00 0.00 177.57 177.40 1qx3 n ASP 190 N -3.14 2.73 -4.88 4.19 8.00 -1.26 -1.01 116.55 121.18 1qx3 n ASP 190 Ca 0.01 -1.89 -0.30 0.00 0.71 0.00 0.00 54.79 53.32 1qx3 n ASP 190 Cb 0.37 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.27 1qx3 n ASP 190 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qx3 s ALA 191 N -1.60 3.15 -0.96 2.24 0.00 -1.03 -4.18 121.76 119.39 1qx3 s ALA 191 Ca 0.36 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1qx3 s ALA 191 Cb 0.20 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.33 1qx3 s ALA 191 CO 0.29 -0.62 0.00 -0.25 0.00 0.00 0.00 175.76 175.18 1qx3 n ASP 192 N -2.64 -3.71 -4.66 0.00 8.00 -0.12 -4.80 116.55 108.62 1qx3 n ASP 192 Ca 0.05 0.08 -0.31 0.00 0.71 0.00 0.00 54.79 55.32 1qx3 n ASP 192 Cb 0.54 -2.68 -0.09 0.00 -0.02 0.00 0.00 41.12 38.87 1qx3 n ASP 192 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qx3 s PHE 193 N -2.47 2.96 -0.05 1.24 0.40 -1.25 -1.26 117.98 117.54 1qx3 s PHE 193 Ca 0.00 -0.02 -0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1qx3 s PHE 193 Cb 0.00 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.99 1qx3 s PHE 193 CO 0.00 0.45 0.01 -1.17 0.70 0.00 0.00 175.22 175.21 1qx3 s LEU 194 N -1.98 0.68 -0.32 -0.37 0.20 0.28 -0.58 118.68 116.59 1qx3 s LEU 194 Ca 0.22 -0.04 -0.03 0.00 0.69 0.00 0.00 54.13 54.97 1qx3 s LEU 194 Cb -0.11 -0.33 0.05 0.00 -0.43 0.00 0.00 46.19 45.36 1qx3 s LEU 194 CO 0.14 -0.17 0.04 -0.31 -0.29 0.00 0.00 176.35 175.76 1qx3 s TYR 195 N 1.72 3.29 -0.53 5.38 2.02 0.11 -0.56 117.35 128.78 1qx3 s TYR 195 Ca 0.00 -1.81 -0.15 0.00 -0.37 0.00 0.00 57.07 54.74 1qx3 s TYR 195 Cb -0.13 -2.25 0.13 0.00 -0.40 0.00 0.00 41.96 39.31 1qx3 s TYR 195 CO -0.04 -0.80 0.48 0.00 -1.57 0.00 0.00 175.55 173.62 1qx3 s ALA 196 N 1.28 3.62 0.15 3.71 0.00 0.26 -0.09 121.76 130.69 1qx3 s ALA 196 Ca -0.03 -2.54 -0.16 0.00 0.00 0.00 0.00 51.96 49.22 1qx3 s ALA 196 Cb -0.20 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1qx3 s ALA 196 CO -0.00 -2.01 0.59 0.71 0.00 0.00 0.00 175.76 175.05 1qx3 s TYR 197 N 1.56 3.65 0.14 0.00 2.02 -0.22 -1.00 117.35 123.50 1qx3 s TYR 197 Ca 0.03 1.17 0.23 0.00 -0.37 0.00 0.00 57.07 58.13 1qx3 s TYR 197 Cb -0.29 -2.44 0.89 0.00 -0.40 0.00 0.00 41.96 39.72 1qx3 s TYR 197 CO 0.02 0.44 1.82 0.66 -1.57 0.00 0.00 175.55 176.92 1qx3 h SER 198 N 3.72 0.00 -5.37 2.29 4.64 -1.49 -0.84 113.55 116.50 1qx3 h SER 198 Ca -0.49 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 1qx3 h SER 198 Cb 1.20 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1qx3 h SER 198 CO 0.65 0.24 -0.44 0.42 -0.87 0.00 0.00 176.83 176.82 1qx3 s THR 199 N -3.65 0.05 0.67 2.95 -4.23 -1.26 -3.61 115.64 106.57 1qx3 s THR 199 Ca 0.01 -1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 58.73 1qx3 s THR 199 Cb 0.10 -2.09 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 1qx3 s THR 199 CO 0.64 -0.24 1.07 0.00 -0.54 0.00 0.00 174.62 175.55 1qx3 s ALA 200 N -4.04 2.64 0.19 3.99 0.00 -0.99 -4.02 121.76 119.53 1qx3 s ALA 200 Ca 0.24 0.23 -0.32 0.00 0.00 0.00 0.00 51.96 52.10 1qx3 s ALA 200 Cb 0.05 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.81 1qx3 s ALA 200 CO 0.04 -1.16 1.30 -2.30 0.00 0.00 0.00 175.76 173.64 1qx3 n PRO 201 N -2.80 1.59 0.00 0.00 -0.02 -1.26 -1.75 135.00 130.76 1qx3 n PRO 201 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1qx3 n PRO 201 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1qx3 n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qx3 n GLY 202 N 2.21 2.49 3.89 -1.23 0.00 -0.29 -5.00 105.19 107.25 1qx3 n GLY 202 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1qx3 n GLY 202 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qx3 s TYR 203 N -2.62 3.50 0.74 1.61 1.51 -0.72 -2.34 117.35 119.03 1qx3 s TYR 203 Ca 0.00 0.60 -0.12 0.00 -1.01 0.00 0.00 57.07 56.55 1qx3 s TYR 203 Cb 0.00 -2.03 0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1qx3 s TYR 203 CO 0.00 0.46 1.10 -0.47 -1.11 0.00 0.00 175.55 175.53 1qx3 s TYR 204 N -1.58 2.59 -0.16 2.71 6.14 -0.38 -1.06 117.35 125.60 1qx3 s TYR 204 Ca 0.39 1.55 0.01 0.00 0.64 0.00 0.00 57.07 59.66 1qx3 s TYR 204 Cb -0.12 -3.08 0.02 0.00 0.42 0.00 0.00 41.96 39.19 1qx3 s TYR 204 CO 0.23 -1.77 -0.20 0.45 0.64 0.00 0.00 175.55 174.90 1qx3 s SER 205 N -3.18 3.07 0.38 4.32 0.15 -1.26 -4.82 113.70 112.36 1qx3 s SER 205 Ca 0.63 -0.62 -0.20 0.00 0.70 0.00 0.00 55.95 56.45 1qx3 s SER 205 Cb -0.18 -1.44 -0.10 0.00 -1.71 0.00 0.00 66.02 62.59 1qx3 s SER 205 CO 0.52 0.02 0.90 0.26 1.20 0.00 0.00 173.24 176.14 1qx3 s TRP 206 N 1.17 3.39 -0.08 3.44 0.52 -1.26 -4.81 118.94 121.31 1qx3 s TRP 206 Ca 0.01 1.55 -0.07 0.00 0.02 0.00 0.00 56.10 57.61 1qx3 s TRP 206 Cb -0.14 -2.79 0.02 0.00 -1.15 0.00 0.00 33.47 29.42 1qx3 s TRP 206 CO -0.10 -0.00 0.21 0.50 0.02 0.00 0.00 176.95 177.58 1qx3 s ARG 207 N -2.93 0.22 -0.37 4.98 3.52 -1.26 -2.72 118.95 120.39 1qx3 s ARG 207 Ca 0.58 0.32 -0.15 0.00 -0.13 0.00 0.00 55.73 56.35 1qx3 s ARG 207 Cb -0.11 0.07 -0.00 0.00 -1.56 0.00 0.00 34.95 33.35 1qx3 s ARG 207 CO 0.16 -0.05 0.34 1.21 -0.81 0.00 0.00 175.30 176.14 1qx3 s ASN 208 N 0.33 6.14 0.00 -2.12 3.84 0.86 -4.89 114.94 119.10 1qx3 s ASN 208 Ca -0.02 -0.49 0.00 0.00 0.21 0.00 0.00 52.86 52.56 1qx3 s ASN 208 Cb -0.03 -2.18 0.00 0.00 -0.55 0.00 0.00 41.25 38.49 1qx3 s ASN 208 CO -0.01 -0.39 0.84 -1.54 -2.79 0.00 0.00 177.10 173.22 1qx3 n SER 209 N 5.32 0.00 -0.07 -4.21 3.41 -1.26 0.50 113.62 117.32 1qx3 n SER 209 Ca -0.10 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1qx3 n SER 209 Cb 0.49 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1qx3 n SER 209 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1qx3 n LYS 210 N -1.34 0.32 0.00 4.33 4.81 -1.26 -3.69 118.16 121.31 1qx3 n LYS 210 Ca 0.00 0.09 0.09 0.00 -0.87 0.00 0.00 58.31 57.61 1qx3 n LYS 210 Cb 0.10 -1.20 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 1qx3 n LYS 210 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1qx3 n ASP 211 N -3.05 1.49 0.00 3.14 8.00 -1.03 -5.01 116.55 120.09 1qx3 n ASP 211 Ca -0.24 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.02 1qx3 n ASP 211 Cb 0.73 0.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1qx3 n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qx3 n GLY 212 N 1.29 -3.48 3.78 0.44 0.00 0.18 -4.85 105.19 102.55 1qx3 n GLY 212 Ca 0.06 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 1qx3 n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qx3 s SER 213 N -0.41 5.75 0.16 1.61 1.04 -1.26 -0.10 113.70 120.49 1qx3 s SER 213 Ca 0.00 2.11 -0.16 0.00 0.48 0.00 0.00 55.95 58.39 1qx3 s SER 213 Cb 0.00 -2.57 0.07 0.00 0.10 0.00 0.00 66.02 63.62 1qx3 s SER 213 CO 0.00 -1.20 1.76 -0.50 0.98 0.00 0.00 173.24 174.28 1qx3 h TRP 214 N 1.11 0.27 0.47 5.02 6.55 -1.87 -1.74 115.95 125.76 1qx3 h TRP 214 Ca -0.50 0.02 -0.02 0.00 0.95 0.00 0.00 58.89 59.34 1qx3 h TRP 214 Cb 1.25 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 1qx3 h TRP 214 CO 0.53 0.12 -0.23 0.35 -1.05 0.00 0.00 178.44 178.16 1qx3 h PHE 215 N 0.32 -0.59 -0.85 0.49 3.57 -1.89 -2.54 116.94 115.46 1qx3 h PHE 215 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1qx3 h PHE 215 Cb 0.13 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.03 1qx3 h PHE 215 CO -0.13 -0.36 0.42 0.82 -2.23 0.00 0.00 178.31 176.83 1qx3 h ILE 216 N -0.65 1.26 0.17 1.41 1.08 -1.94 0.77 117.51 119.61 1qx3 h ILE 216 Ca -0.06 -0.69 0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1qx3 h ILE 216 Cb 0.49 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.37 1qx3 h ILE 216 CO 0.11 0.30 -0.27 1.56 -0.69 0.00 0.00 178.15 179.16 1qx3 h GLN 217 N 1.20 -0.49 -0.32 2.37 4.20 -1.29 -1.68 115.11 119.10 1qx3 h GLN 217 Ca 0.29 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1qx3 h GLN 217 Cb 0.09 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1qx3 h GLN 217 CO -0.04 -0.33 0.14 0.77 -0.67 0.00 0.00 178.83 178.70 1qx3 h SER 218 N -0.51 0.44 -0.45 1.46 0.02 -1.21 -2.29 113.55 111.00 1qx3 h SER 218 Ca 0.02 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1qx3 h SER 218 Cb 0.51 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 1qx3 h SER 218 CO -0.12 0.47 0.15 0.25 -1.14 0.00 0.00 176.83 176.44 1qx3 h LEU 219 N 0.37 0.15 -0.46 5.07 5.85 -0.74 0.58 115.31 126.14 1qx3 h LEU 219 Ca 0.11 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1qx3 h LEU 219 Cb 0.16 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1qx3 h LEU 219 CO -0.01 0.12 -0.06 0.00 -0.34 0.00 0.00 178.44 178.15 1qx3 h ALA 221 N 0.89 0.58 -0.44 0.00 0.00 -1.07 0.51 119.26 119.73 1qx3 h ALA 221 Ca 0.12 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1qx3 h ALA 221 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1qx3 h ALA 221 CO 0.04 0.12 -0.23 1.98 0.00 0.00 0.00 179.25 181.15 1qx3 h MET 222 N 0.59 0.92 -0.28 0.00 -1.53 -0.81 -1.62 114.93 112.20 1qx3 h MET 222 Ca 0.16 -0.39 -0.01 0.00 -3.44 0.00 0.00 59.70 56.01 1qx3 h MET 222 Cb 0.08 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1qx3 h MET 222 CO -0.02 1.05 0.12 -0.07 0.14 0.00 0.00 176.91 178.13 1qx3 h LEU 223 N 0.79 0.37 -1.59 3.39 3.38 -0.85 0.26 115.31 121.06 1qx3 h LEU 223 Ca 0.10 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1qx3 h LEU 223 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1qx3 h LEU 223 CO 0.07 0.42 0.30 0.50 0.09 0.00 0.00 178.44 179.81 1qx3 h LYS 224 N 0.30 0.54 0.07 1.13 3.64 -0.74 0.41 116.57 121.93 1qx3 h LYS 224 Ca 0.09 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.11 1qx3 h LYS 224 Cb 0.15 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1qx3 h LYS 224 CO -0.01 0.36 -1.87 0.94 -2.27 0.00 0.00 179.45 176.60 1qx3 n GLN 225 N -4.47 0.71 -0.03 1.90 7.27 -0.62 -4.62 117.38 117.51 1qx3 n GLN 225 Ca 0.04 0.28 0.02 0.00 0.07 0.00 0.00 57.00 57.41 1qx3 n GLN 225 Cb 0.10 -1.75 0.04 0.00 2.41 0.00 0.00 30.24 31.04 1qx3 n GLN 225 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1qx3 n TYR 226 N -3.30 0.09 0.28 3.69 4.01 0.87 -4.71 117.16 118.09 1qx3 n TYR 226 Ca -0.25 -0.24 0.14 0.00 -0.16 0.00 0.00 57.90 57.39 1qx3 n TYR 226 Cb 1.05 -0.02 0.80 0.00 -0.31 0.00 0.00 39.34 40.86 1qx3 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qx3 h ALA 227 N 0.85 1.29 -0.19 -0.72 0.00 -1.04 -0.88 119.26 118.55 1qx3 h ALA 227 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1qx3 h ALA 227 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qx3 h ALA 227 CO 0.00 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 178.95 1qx3 n ASP 228 N -3.60 1.92 0.07 0.00 5.75 -1.26 -4.20 116.55 115.23 1qx3 n ASP 228 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 1qx3 n ASP 228 Cb 0.20 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1qx3 n ASP 228 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1qx3 n LYS 229 N 0.49 0.00 -1.55 0.11 5.02 -0.80 -5.04 118.16 116.39 1qx3 n LYS 229 Ca 0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.13 1qx3 n LYS 229 Cb 0.37 -0.04 0.07 0.00 -0.02 0.00 0.00 35.03 35.41 1qx3 n LYS 229 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qx3 s LEU 230 N -5.98 3.27 0.43 -0.35 1.43 -0.40 -5.03 118.68 112.04 1qx3 s LEU 230 Ca 0.00 2.00 -0.19 0.00 -1.03 0.00 0.00 54.13 54.91 1qx3 s LEU 230 Cb 0.00 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.57 1qx3 s LEU 230 CO 0.00 -1.87 0.93 -0.70 0.23 0.00 0.00 176.35 174.94 1qx3 s GLU 231 N -4.31 4.15 0.18 1.70 -6.30 -1.26 -4.77 118.70 108.10 1qx3 s GLU 231 Ca 0.66 1.03 -0.17 0.00 -2.50 0.00 0.00 54.97 53.99 1qx3 s GLU 231 Cb -0.21 -2.21 0.15 0.00 0.00 0.00 0.00 34.13 31.86 1qx3 s GLU 231 CO 0.46 -0.04 1.63 0.35 0.02 0.00 0.00 175.26 177.68 1qx3 h PHE 232 N 1.79 -0.41 -0.98 5.30 3.57 -1.10 -1.04 116.94 124.06 1qx3 h PHE 232 Ca -0.49 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.18 1qx3 h PHE 232 Cb 1.18 0.26 -0.08 0.00 2.79 0.00 0.00 35.95 40.10 1qx3 h PHE 232 CO 0.62 -0.26 0.62 0.52 -2.23 0.00 0.00 178.31 177.58 1qx3 h MET 233 N -0.06 0.92 -0.31 1.11 2.86 -1.94 0.20 114.93 117.71 1qx3 h MET 233 Ca 0.23 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 1qx3 h MET 233 Cb 0.42 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1qx3 h MET 233 CO -0.54 0.61 -0.34 0.45 1.06 0.00 0.00 176.91 178.15 1qx3 h HIS 234 N 0.95 0.81 -0.26 -0.22 3.86 -1.61 -1.01 115.15 117.66 1qx3 h HIS 234 Ca 0.48 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1qx3 h HIS 234 Cb 0.51 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1qx3 h HIS 234 CO -0.00 0.94 0.12 0.82 0.86 0.00 0.00 177.93 180.67 1qx3 h ILE 235 N 0.58 1.15 0.00 2.45 2.04 -0.29 -2.55 117.51 120.89 1qx3 h ILE 235 Ca 0.06 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1qx3 h ILE 235 Cb 0.86 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1qx3 h ILE 235 CO 0.07 0.15 -0.13 -0.07 0.00 0.00 0.00 178.15 178.18 1qx3 h LEU 236 N 0.29 0.00 -0.57 1.44 3.38 -0.78 -1.85 115.31 117.21 1qx3 h LEU 236 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1qx3 h LEU 236 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qx3 h LEU 236 CO -0.01 0.13 -0.65 0.74 0.09 0.00 0.00 178.44 178.74 1qx3 h THR 237 N 0.00 1.40 0.00 0.22 2.02 -0.79 -1.06 112.91 114.69 1qx3 h THR 237 Ca -0.00 -2.08 -0.14 0.00 0.77 0.00 0.00 66.41 64.96 1qx3 h THR 237 Cb 0.37 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 1qx3 h THR 237 CO 0.02 0.61 -0.68 0.03 0.37 0.00 0.00 175.52 175.87 1qx3 h ARG 238 N 0.18 0.00 -0.31 6.66 3.08 -1.02 -2.25 114.38 120.73 1qx3 h ARG 238 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1qx3 h ARG 238 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1qx3 h ARG 238 CO 0.10 0.68 0.04 0.28 -1.07 0.00 0.00 179.97 180.00 1qx3 h VAL 239 N 0.00 1.24 -0.69 2.04 2.07 -0.99 -0.39 116.25 119.54 1qx3 h VAL 239 Ca -0.01 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.75 1qx3 h VAL 239 Cb 1.27 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 1qx3 h VAL 239 CO 0.09 0.28 0.34 0.78 0.02 0.00 0.00 177.57 179.07 1qx3 h ASN 240 N 0.34 0.43 -0.34 0.57 4.21 -0.84 -1.72 115.58 118.23 1qx3 h ASN 240 Ca 0.09 0.06 -0.16 0.00 1.21 0.00 0.00 56.30 57.51 1qx3 h ASN 240 Cb 0.37 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1qx3 h ASN 240 CO 0.01 0.25 -0.40 -0.09 -1.29 0.00 0.00 177.43 175.91 1qx3 h ARG 241 N 0.58 0.87 0.32 0.81 2.43 -1.19 -1.40 114.38 116.81 1qx3 h ARG 241 Ca 0.34 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1qx3 h ARG 241 Cb 0.35 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1qx3 h ARG 241 CO -0.26 1.13 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.91 1qx3 h LYS 242 N 0.67 -0.48 -0.73 0.20 3.64 -0.63 0.14 116.57 119.38 1qx3 h LYS 242 Ca 0.05 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1qx3 h LYS 242 Cb 0.99 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1qx3 h LYS 242 CO 0.10 -0.32 0.30 -0.24 -2.27 0.00 0.00 179.45 177.02 1qx3 h VAL 243 N -0.50 1.24 -0.54 2.00 3.04 -1.37 0.88 116.25 121.02 1qx3 h VAL 243 Ca -0.03 -0.74 -0.10 0.00 -1.01 0.00 0.00 66.70 64.82 1qx3 h VAL 243 Cb 0.41 0.36 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1qx3 h VAL 243 CO 0.04 0.30 -0.04 0.00 -1.01 0.00 0.00 177.57 176.86 1qx3 h ALA 244 N 1.28 0.73 0.03 3.17 0.00 -0.94 -3.16 119.26 120.37 1qx3 h ALA 244 Ca 0.25 -0.32 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1qx3 h ALA 244 Cb 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1qx3 h ALA 244 CO -0.02 0.59 -2.12 0.25 0.00 0.00 0.00 179.25 177.95 1qx3 n THR 245 N -4.23 1.57 0.79 0.00 -2.24 0.45 -4.56 114.28 106.05 1qx3 n THR 245 Ca 0.02 -0.73 0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1qx3 n THR 245 Cb 0.36 -1.12 0.19 0.00 -2.10 0.00 0.00 70.33 67.66 1qx3 n THR 245 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qx3 n GLU 246 N -3.11 0.14 -5.02 -0.78 1.02 0.29 -4.92 120.64 108.26 1qx3 n GLU 246 Ca -0.31 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.55 1qx3 n GLU 246 Cb 1.07 -1.58 -0.15 0.00 -0.02 0.00 0.00 31.44 30.76 1qx3 n GLU 246 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1qx3 s PHE 247 N -3.09 2.41 -0.24 -0.32 0.40 -1.19 -5.05 117.98 110.90 1qx3 s PHE 247 Ca 0.08 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.84 1qx3 s PHE 247 Cb 0.16 -1.47 0.06 0.00 0.51 0.00 0.00 43.02 42.27 1qx3 s PHE 247 CO 0.72 0.09 0.63 -2.00 0.70 0.00 0.00 175.22 175.36 1qx3 s GLU 248 N -0.96 0.73 0.50 0.44 2.12 -1.26 -4.65 118.70 115.62 1qx3 s GLU 248 Ca 0.11 0.91 -0.19 0.00 0.36 0.00 0.00 54.97 56.17 1qx3 s GLU 248 Cb -0.10 0.33 -0.08 0.00 0.26 0.00 0.00 34.13 34.54 1qx3 s GLU 248 CO 0.01 -0.10 1.02 -1.54 -0.54 0.00 0.00 175.26 174.11 1qx3 s SER 249 N 0.50 6.39 -0.12 -1.70 1.04 -0.31 -4.88 113.70 114.61 1qx3 s SER 249 Ca -0.01 1.81 -0.01 0.00 0.48 0.00 0.00 55.95 58.22 1qx3 s SER 249 Cb -0.05 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.56 1qx3 s SER 249 CO -0.02 -0.75 -0.06 0.12 0.98 0.00 0.00 173.24 173.52 1qx3 s PHE 250 N -2.20 1.38 -0.06 5.02 5.36 -1.26 -0.63 117.98 125.59 1qx3 s PHE 250 Ca 0.64 -0.70 -0.11 0.00 -0.96 0.00 0.00 56.93 55.80 1qx3 s PHE 250 Cb -0.14 -1.18 0.02 0.00 -0.34 0.00 0.00 43.02 41.38 1qx3 s PHE 250 CO 0.23 -0.50 0.26 0.45 -1.46 0.00 0.00 175.22 174.20 1qx3 s SER 251 N 1.74 -0.21 0.30 6.13 0.15 -1.26 -4.93 113.70 115.62 1qx3 s SER 251 Ca 0.04 0.29 0.25 0.00 0.70 0.00 0.00 55.95 57.24 1qx3 s SER 251 Cb -0.13 0.43 1.05 0.00 -1.71 0.00 0.00 66.02 65.66 1qx3 s SER 251 CO -0.08 -0.24 1.75 -0.26 1.20 0.00 0.00 173.24 175.61 1qx3 h PHE 252 N 4.94 0.00 -3.05 3.44 0.04 -2.00 -3.38 116.94 116.93 1qx3 h PHE 252 Ca -0.28 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 59.78 1qx3 h PHE 252 Cb 1.19 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.13 1qx3 h PHE 252 CO 0.47 0.00 -0.02 0.34 -0.60 0.00 0.00 178.31 178.50 1qx3 s ASP 253 N -4.44 6.19 0.63 2.17 -1.08 -1.26 -4.93 116.67 113.94 1qx3 s ASP 253 Ca 0.04 -1.42 0.21 0.00 -0.52 0.00 0.00 52.55 50.86 1qx3 s ASP 253 Cb 0.09 -2.27 0.97 0.00 -1.46 0.00 0.00 42.92 40.26 1qx3 s ASP 253 CO 0.41 -0.97 1.50 0.00 0.52 0.00 0.00 175.17 176.63 1qx3 h ALA 254 N 9.04 2.14 0.00 3.66 0.00 -1.95 0.34 119.26 132.49 1qx3 h ALA 254 Ca -0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1qx3 h ALA 254 Cb 1.09 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1qx3 h ALA 254 CO 1.04 -0.98 -0.24 1.79 0.00 0.00 0.00 179.25 180.86 1qx3 h THR 255 N 0.00 0.55 -0.14 0.00 1.35 -1.92 -3.16 112.91 109.59 1qx3 h THR 255 Ca 0.18 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1qx3 h THR 255 Cb 1.74 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1qx3 h THR 255 CO -0.00 0.24 0.00 0.49 -0.25 0.00 0.00 175.52 175.99 1qx3 n PHE 256 N -3.36 0.24 -3.68 4.73 3.72 0.12 -5.03 117.46 114.19 1qx3 n PHE 256 Ca 0.00 -0.59 -0.35 0.00 -0.05 0.00 0.00 57.45 56.47 1qx3 n PHE 256 Cb 0.46 -0.08 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1qx3 n PHE 256 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1qx3 s HIS 257 N -1.36 3.59 -1.37 1.38 2.46 -1.08 -4.40 115.29 114.52 1qx3 s HIS 257 Ca 0.15 0.68 -0.04 0.00 0.47 0.00 0.00 55.06 56.31 1qx3 s HIS 257 Cb 0.10 -2.07 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 1qx3 s HIS 257 CO 0.06 0.59 0.54 0.00 -2.47 0.00 0.00 174.74 173.46 1qx3 n ALA 258 N 1.15 -0.85 -2.66 1.58 0.00 0.20 -4.95 120.51 114.97 1qx3 n ALA 258 Ca -0.11 0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.32 1qx3 n ALA 258 Cb 0.53 -3.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.46 1qx3 n ALA 258 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qx3 s LYS 259 N -5.55 3.54 0.44 0.00 -0.14 -1.26 -4.67 119.74 112.10 1qx3 s LYS 259 Ca 0.27 -0.24 0.04 0.00 -1.36 0.00 0.00 55.97 54.68 1qx3 s LYS 259 Cb -0.12 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.25 1qx3 s LYS 259 CO 0.33 0.27 0.02 0.15 -0.76 0.00 0.00 175.35 175.35 1qx3 s LYS 260 N -3.71 2.03 -0.08 1.68 -0.14 0.45 -1.17 119.74 118.79 1qx3 s LYS 260 Ca 0.40 -2.21 -0.17 0.00 -1.36 0.00 0.00 55.97 52.64 1qx3 s LYS 260 Cb -0.10 -1.50 0.04 0.00 -1.68 0.00 0.00 37.83 34.58 1qx3 s LYS 260 CO 0.31 -0.19 0.40 -1.14 -0.76 0.00 0.00 175.35 173.97 1qx3 s GLN 261 N -3.79 0.63 -0.02 1.68 0.74 -1.26 -4.02 119.66 113.62 1qx3 s GLN 261 Ca 0.24 0.21 0.00 0.00 0.05 0.00 0.00 55.36 55.85 1qx3 s GLN 261 Cb 0.06 0.29 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1qx3 s GLN 261 CO 0.12 -0.14 0.01 -1.50 -0.55 0.00 0.00 175.29 173.22 1qx3 s ILE 262 N -0.62 0.11 1.06 -2.34 -1.16 -1.26 -3.57 121.20 113.43 1qx3 s ILE 262 Ca -0.07 0.10 -0.17 0.00 -0.51 0.00 0.00 60.65 60.00 1qx3 s ILE 262 Cb -0.04 -0.20 0.23 0.00 0.61 0.00 0.00 42.46 43.06 1qx3 s ILE 262 CO 0.03 0.12 1.18 -2.84 -2.81 0.00 0.00 174.94 170.62 1qx3 s PRO 263 N 0.89 -0.13 -0.20 3.50 0.02 -1.24 -2.34 135.00 135.49 1qx3 s PRO 263 Ca -0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 61.00 60.82 1qx3 s PRO 263 Cb -0.12 -1.72 0.06 0.00 0.02 0.00 0.00 34.50 32.74 1qx3 s PRO 263 CO -0.02 -2.99 0.06 0.00 -0.33 0.00 0.00 177.00 173.72 1qx3 s ILE 265 N 1.91 4.81 -0.32 0.00 -1.09 -1.26 -1.05 121.20 124.19 1qx3 s ILE 265 Ca 0.01 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.67 1qx3 s ILE 265 Cb -0.17 -4.13 0.07 0.00 -1.58 0.00 0.00 42.46 36.65 1qx3 s ILE 265 CO -0.11 -0.21 0.02 -0.69 -1.23 0.00 0.00 174.94 172.72 1qx3 s VAL 266 N 2.93 2.71 -0.18 2.92 1.01 0.88 -5.01 120.40 125.65 1qx3 s VAL 266 Ca 0.32 -1.77 -0.02 0.00 0.00 0.00 0.00 61.98 60.51 1qx3 s VAL 266 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 1qx3 s VAL 266 CO 0.12 -0.30 -0.09 -0.55 0.00 0.00 0.00 175.10 174.27 1qx3 s SER 267 N 1.25 4.12 -0.12 3.32 0.15 -1.26 0.06 113.70 121.22 1qx3 s SER 267 Ca -0.00 -0.37 0.15 0.00 0.70 0.00 0.00 55.95 56.42 1qx3 s SER 267 Cb -0.20 -1.67 0.44 0.00 -1.71 0.00 0.00 66.02 62.88 1qx3 s SER 267 CO -0.04 0.06 1.35 0.23 1.20 0.00 0.00 173.24 176.04 1qx3 n MET 268 N 4.24 2.86 -2.09 5.44 2.81 0.25 -5.03 117.12 125.59 1qx3 n MET 268 Ca -0.18 -2.56 -0.35 0.00 -1.81 0.00 0.00 57.70 52.80 1qx3 n MET 268 Cb 0.52 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 1qx3 n MET 268 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qx3 s LEU 269 N -2.23 3.64 0.00 4.03 1.43 -1.14 -0.94 118.68 123.46 1qx3 s LEU 269 Ca 0.35 2.15 0.10 0.00 -1.03 0.00 0.00 54.13 55.70 1qx3 s LEU 269 Cb 0.26 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 42.01 1qx3 s LEU 269 CO 0.10 -1.38 0.86 0.35 0.23 0.00 0.00 176.35 176.52 1qx3 n THR 270 N -1.64 0.10 -3.96 5.49 -2.24 -1.26 -4.83 114.28 105.95 1qx3 n THR 270 Ca 0.11 -0.55 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1qx3 n THR 270 Cb 0.51 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.82 1qx3 n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qx3 s LYS 271 N -0.86 1.36 0.39 -0.78 1.02 -1.26 -4.95 119.74 114.66 1qx3 s LYS 271 Ca 0.13 -1.18 -0.24 0.00 0.02 0.00 0.00 55.97 54.69 1qx3 s LYS 271 Cb 0.09 0.43 -0.09 0.00 -0.52 0.00 0.00 37.83 37.74 1qx3 s LYS 271 CO 0.13 -0.54 1.04 -1.21 -0.92 0.00 0.00 175.35 173.84 1qx3 s GLU 272 N -3.99 4.21 -0.14 1.68 2.02 0.08 -4.78 118.70 117.78 1qx3 s GLU 272 Ca 0.19 1.49 0.02 0.00 0.02 0.00 0.00 54.97 56.70 1qx3 s GLU 272 Cb 0.01 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.68 1qx3 s GLU 272 CO 0.04 -0.09 -0.21 -1.17 0.02 0.00 0.00 175.26 173.85 1qx3 s LEU 273 N -2.58 2.16 -0.06 1.80 2.96 -1.26 -1.44 118.68 120.26 1qx3 s LEU 273 Ca 0.57 -0.59 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1qx3 s LEU 273 Cb -0.22 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1qx3 s LEU 273 CO 0.27 0.08 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.93 1qx3 s TYR 274 N 0.82 1.57 -0.06 5.38 2.02 -1.26 -0.36 117.35 125.46 1qx3 s TYR 274 Ca -0.07 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 1qx3 s TYR 274 Cb -0.15 -1.11 0.07 0.00 -0.40 0.00 0.00 41.96 40.37 1qx3 s TYR 274 CO -0.02 -0.24 1.27 1.19 -1.57 0.00 0.00 175.55 176.18 1qx3 n PHE 275 N 3.56 0.36 -3.74 2.71 3.72 -1.26 -4.81 117.46 118.00 1qx3 n PHE 275 Ca -0.21 -0.76 -0.09 0.00 -0.05 0.00 0.00 57.45 56.34 1qx3 n PHE 275 Cb 0.52 -0.38 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1qx3 n PHE 275 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1qx3 s TYR 276 N -0.39 -0.13 -2.00 1.38 -0.85 -1.26 -4.94 117.35 109.15 1qx3 s TYR 276 Ca 0.07 -0.21 0.31 0.00 -0.52 0.00 0.00 57.07 56.71 1qx3 s TYR 276 Cb 0.06 0.43 1.82 0.00 0.38 0.00 0.00 41.96 44.65 1qx3 s TYR 276 CO 0.01 -0.95 2.15 1.58 -1.52 0.00 0.00 175.55 176.82