#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx4 n GLY 2 N 0.00 1.51 3.15 0.00 0.00 -1.26 -4.16 105.19 104.43 2qx4 n GLY 2 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 2qx4 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx4 s LYS 3 N -2.88 0.77 -0.11 1.61 -0.14 -1.26 -5.05 119.74 112.68 2qx4 s LYS 3 Ca 0.27 -1.26 -0.01 0.00 -1.36 0.00 0.00 55.97 53.60 2qx4 s LYS 3 Cb 0.45 -0.16 -0.03 0.00 -1.68 0.00 0.00 37.83 36.41 2qx4 s LYS 3 CO 0.02 -0.02 -0.06 0.15 -0.76 0.00 0.00 175.35 174.68 2qx4 s LYS 4 N -3.61 3.18 -0.06 1.68 1.02 -1.26 -1.32 119.74 119.37 2qx4 s LYS 4 Ca 0.09 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.58 2qx4 s LYS 4 Cb 0.04 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 2qx4 s LYS 4 CO -0.05 0.47 -0.17 0.08 -0.92 0.00 0.00 175.35 174.76 2qx4 s VAL 5 N -0.28 1.48 -0.15 3.17 1.01 0.65 -0.30 120.40 125.98 2qx4 s VAL 5 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2qx4 s VAL 5 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2qx4 s VAL 5 CO 0.02 0.43 -0.09 -0.22 0.00 0.00 0.00 175.10 175.24 2qx4 s LEU 6 N 0.22 2.88 -0.22 3.92 2.96 -0.44 -1.06 118.68 126.94 2qx4 s LEU 6 Ca -0.08 -0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2qx4 s LEU 6 Cb -0.14 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2qx4 s LEU 6 CO 0.04 0.13 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.55 2qx4 s ILE 7 N 0.58 3.62 -0.33 6.68 1.01 0.46 -0.60 121.20 132.62 2qx4 s ILE 7 Ca -0.06 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 2qx4 s ILE 7 Cb -0.15 -2.65 -0.00 0.00 0.01 0.00 0.00 42.46 39.66 2qx4 s ILE 7 CO 0.03 0.41 0.20 -0.69 0.00 0.00 0.00 174.94 174.89 2qx4 s VAL 8 N 1.37 4.88 -0.12 2.92 1.01 0.70 -0.73 120.40 130.42 2qx4 s VAL 8 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.61 2qx4 s VAL 8 Cb -0.14 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2qx4 s VAL 8 CO -0.01 -0.02 -0.13 -0.47 0.00 0.00 0.00 175.10 174.47 2qx4 s TYR 9 N 1.65 2.81 -0.53 5.22 5.04 -0.33 -0.89 117.35 130.32 2qx4 s TYR 9 Ca 0.05 -0.59 0.05 0.00 -2.44 0.00 0.00 57.07 54.14 2qx4 s TYR 9 Cb -0.18 -1.83 0.19 0.00 0.35 0.00 0.00 41.96 40.50 2qx4 s TYR 9 CO 0.08 -0.17 0.47 0.00 -1.34 0.00 0.00 175.55 174.59 2qx4 n ALA 10 N 3.42 3.13 -3.14 3.97 0.00 -0.47 -1.33 120.51 126.09 2qx4 n ALA 10 Ca -0.18 -3.82 -0.13 0.00 0.00 0.00 0.00 53.44 49.32 2qx4 n ALA 10 Cb 0.53 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 2qx4 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qx4 s HIS 11 N -0.95 -0.26 -0.23 0.00 5.04 -1.26 -4.34 115.29 113.29 2qx4 s HIS 11 Ca 0.32 0.63 0.24 0.00 -1.54 0.00 0.00 55.06 54.71 2qx4 s HIS 11 Cb 0.05 0.09 0.59 0.00 0.04 0.00 0.00 32.58 33.34 2qx4 s HIS 11 CO -0.15 -0.16 1.69 1.96 -2.34 0.00 0.00 174.74 175.74 2qx4 h GLN 12 N 5.57 0.00 -4.94 2.88 7.50 -1.99 -3.44 115.11 120.69 2qx4 h GLN 12 Ca -0.26 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.22 2qx4 h GLN 12 Cb 1.19 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 28.38 2qx4 h GLN 12 CO 0.35 0.09 -0.79 -2.00 -1.50 0.00 0.00 178.83 174.98 2qx4 s GLU 13 N -3.32 2.75 0.41 1.46 2.56 -1.26 -5.00 118.70 116.30 2qx4 s GLU 13 Ca 0.05 -1.02 0.14 0.00 0.00 0.00 0.00 54.97 54.13 2qx4 s GLU 13 Cb 0.07 -2.85 0.98 0.00 2.00 0.00 0.00 34.13 34.33 2qx4 s GLU 13 CO 0.65 -0.38 1.91 -1.35 -0.56 0.00 0.00 175.26 175.52 2qx4 h PRO 14 N 7.94 0.49 -0.02 4.30 0.11 -1.98 -0.67 132.00 142.16 2qx4 h PRO 14 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2qx4 h PRO 14 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2qx4 h PRO 14 CO 0.57 0.32 0.00 1.63 -0.21 0.00 0.00 178.00 180.31 2qx4 n LYS 15 N -4.50 1.21 -1.37 1.05 5.02 -1.26 -4.40 118.16 113.90 2qx4 n LYS 15 Ca 0.15 -0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 55.85 2qx4 n LYS 15 Cb 0.51 -1.42 0.16 0.00 -0.02 0.00 0.00 35.03 34.25 2qx4 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qx4 s SER 16 N -1.83 3.06 0.24 4.39 1.04 -0.26 -4.83 113.70 115.51 2qx4 s SER 16 Ca 0.39 1.04 -0.05 0.00 0.48 0.00 0.00 55.95 57.80 2qx4 s SER 16 Cb 0.19 -1.65 0.25 0.00 0.10 0.00 0.00 66.02 64.91 2qx4 s SER 16 CO 0.31 -2.84 1.78 0.15 0.98 0.00 0.00 173.24 173.62 2qx4 h PHE 17 N -1.70 1.07 -0.85 5.02 3.57 -1.91 -1.04 116.94 121.10 2qx4 h PHE 17 Ca -0.52 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 60.84 2qx4 h PHE 17 Cb 1.33 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 2qx4 h PHE 17 CO 0.26 0.85 0.41 -0.91 -2.23 0.00 0.00 178.31 176.69 2qx4 h ASN 18 N 1.00 1.12 -0.75 0.41 2.35 -1.92 -1.41 115.58 116.38 2qx4 h ASN 18 Ca 0.22 -0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2qx4 h ASN 18 Cb 0.28 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2qx4 h ASN 18 CO -0.01 0.95 0.47 1.23 -1.65 0.00 0.00 177.43 178.42 2qx4 h GLY 19 N 1.22 1.09 1.01 2.83 0.00 -1.55 -0.33 103.07 107.34 2qx4 h GLY 19 Ca 0.29 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 2qx4 h GLY 19 CO -0.04 0.29 0.22 1.76 0.00 0.00 0.00 176.54 178.77 2qx4 h SER 20 N 0.91 0.90 -0.59 0.19 0.02 -0.61 0.35 113.55 114.73 2qx4 h SER 20 Ca 0.30 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2qx4 h SER 20 Cb 0.03 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2qx4 h SER 20 CO -0.12 0.86 0.06 -0.07 -1.14 0.00 0.00 176.83 176.41 2qx4 h LEU 21 N 0.90 0.99 -0.37 5.07 3.38 -0.90 0.44 115.31 124.83 2qx4 h LEU 21 Ca 0.21 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2qx4 h LEU 21 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qx4 h LEU 21 CO -0.01 1.02 -0.05 0.50 0.09 0.00 0.00 178.44 179.99 2qx4 h LYS 22 N 0.96 0.68 -0.57 1.13 3.11 -0.85 -2.51 116.57 118.51 2qx4 h LYS 22 Ca 0.18 -0.24 -0.10 0.00 -2.81 0.00 0.00 60.65 57.68 2qx4 h LYS 22 Cb 0.48 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.64 2qx4 h LYS 22 CO 0.02 0.82 -0.05 -0.91 -2.81 0.00 0.00 179.45 176.52 2qx4 h ASN 23 N 0.49 1.03 0.31 4.20 2.35 -0.56 -1.44 115.58 121.95 2qx4 h ASN 23 Ca 0.10 -0.33 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 2qx4 h ASN 23 Cb 0.54 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2qx4 h ASN 23 CO 0.03 1.11 -0.30 -0.37 -1.65 0.00 0.00 177.43 176.25 2qx4 h VAL 24 N 0.93 1.21 -0.25 2.81 -1.51 -0.92 0.26 116.25 118.78 2qx4 h VAL 24 Ca 0.16 -1.03 -0.08 0.00 -1.23 0.00 0.00 66.70 64.51 2qx4 h VAL 24 Cb 0.61 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 2qx4 h VAL 24 CO 0.04 0.29 -0.17 0.00 -1.23 0.00 0.00 177.57 176.50 2qx4 h ALA 25 N 1.70 0.36 -0.39 5.19 0.00 -0.97 -0.54 119.26 124.61 2qx4 h ALA 25 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2qx4 h ALA 25 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qx4 h ALA 25 CO 0.04 0.27 0.17 0.28 0.00 0.00 0.00 179.25 180.01 2qx4 h VAL 26 N 0.27 1.18 -0.03 0.00 2.07 -0.89 -0.58 116.25 118.28 2qx4 h VAL 26 Ca 0.05 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2qx4 h VAL 26 Cb 0.70 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2qx4 h VAL 26 CO 0.05 0.20 -0.03 0.44 0.02 0.00 0.00 177.57 178.24 2qx4 h ASP 27 N 0.48 -0.10 -0.21 0.57 3.32 -0.85 -0.33 116.42 119.31 2qx4 h ASP 27 Ca 0.13 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.05 2qx4 h ASP 27 Cb 0.16 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2qx4 h ASP 27 CO -0.01 -0.05 -0.46 -0.08 -1.72 0.00 0.00 179.24 176.92 2qx4 h GLU 28 N -0.04 0.68 -0.27 3.56 4.57 -1.04 -0.34 114.58 121.69 2qx4 h GLU 28 Ca 0.02 -0.45 -0.09 0.00 -1.18 0.00 0.00 59.36 57.66 2qx4 h GLU 28 Cb 0.08 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2qx4 h GLU 28 CO -0.05 1.07 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.56 2qx4 h LEU 29 N 0.38 0.51 -0.35 1.64 3.38 -1.10 -1.85 115.31 117.92 2qx4 h LEU 29 Ca 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2qx4 h LEU 29 Cb 1.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2qx4 h LEU 29 CO 0.10 0.73 0.08 -1.28 0.09 0.00 0.00 178.44 178.16 2qx4 h SER 30 N 0.46 0.54 -0.63 -0.43 0.87 -0.95 -1.81 113.55 111.60 2qx4 h SER 30 Ca 0.07 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2qx4 h SER 30 Cb 0.63 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 2qx4 h SER 30 CO 0.04 0.64 0.40 -0.09 -0.53 0.00 0.00 176.83 177.29 2qx4 h ARG 31 N 0.42 0.85 0.00 2.24 2.43 -0.79 -0.89 114.38 118.64 2qx4 h ARG 31 Ca 0.11 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2qx4 h ARG 31 Cb 0.31 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2qx4 h ARG 31 CO 0.00 0.59 0.00 1.04 -1.51 0.00 0.00 179.97 180.09 2qx4 n GLN 32 N -4.42 0.19 -0.07 0.20 6.02 -0.72 -4.87 117.38 113.72 2qx4 n GLN 32 Ca 0.06 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 2qx4 n GLN 32 Cb 0.06 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.47 2qx4 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qx4 n GLY 33 N 0.04 0.73 3.81 1.08 0.00 -0.34 -4.42 105.19 106.09 2qx4 n GLY 33 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 2qx4 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx4 s THR 35 N -2.95 5.10 -0.04 0.00 2.01 -0.43 -4.49 115.64 114.83 2qx4 s THR 35 Ca 0.59 1.15 0.03 0.00 0.31 0.00 0.00 61.69 63.77 2qx4 s THR 35 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.45 2qx4 s THR 35 CO 0.52 0.23 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.87 2qx4 s VAL 36 N 1.12 1.07 0.00 3.82 1.01 -1.26 -0.25 120.40 125.91 2qx4 s VAL 36 Ca 0.30 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2qx4 s VAL 36 Cb -0.16 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2qx4 s VAL 36 CO 0.12 0.32 -0.13 -0.89 0.00 0.00 0.00 175.10 174.53 2qx4 s THR 37 N 0.25 1.02 -0.09 3.92 2.01 -0.23 -4.98 115.64 117.54 2qx4 s THR 37 Ca -0.06 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2qx4 s THR 37 Cb -0.11 -0.87 0.01 0.00 0.01 0.00 0.00 72.50 71.54 2qx4 s THR 37 CO 0.02 0.21 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.30 2qx4 s VAL 38 N -0.44 1.51 -0.52 3.82 1.01 -1.26 -0.40 120.40 124.12 2qx4 s VAL 38 Ca 0.04 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2qx4 s VAL 38 Cb -0.06 -1.35 0.12 0.00 0.00 0.00 0.00 36.38 35.09 2qx4 s VAL 38 CO -0.00 0.44 0.45 -0.44 0.00 0.00 0.00 175.10 175.55 2qx4 s SER 39 N 0.70 6.08 -0.90 3.32 0.01 0.10 -4.96 113.70 118.05 2qx4 s SER 39 Ca -0.13 -1.76 -0.20 0.00 1.31 0.00 0.00 55.95 55.17 2qx4 s SER 39 Cb -0.16 -2.16 0.11 0.00 0.21 0.00 0.00 66.02 64.01 2qx4 s SER 39 CO 0.03 -0.80 1.15 -0.62 0.41 0.00 0.00 173.24 173.41 2qx4 s ASP 40 N 3.29 6.54 0.19 2.44 -1.08 -1.26 -1.19 116.67 125.60 2qx4 s ASP 40 Ca 0.04 -1.78 -0.12 0.00 -0.52 0.00 0.00 52.55 50.17 2qx4 s ASP 40 Cb -0.29 -2.43 0.20 0.00 -1.46 0.00 0.00 42.92 38.95 2qx4 s ASP 40 CO 0.03 -1.20 1.76 -0.07 0.52 0.00 0.00 175.17 176.21 2qx4 h LEU 41 N 10.94 0.26 -0.77 -1.34 3.38 -1.58 -1.03 115.31 125.18 2qx4 h LEU 41 Ca 0.09 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2qx4 h LEU 41 Cb 1.03 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2qx4 h LEU 41 CO 1.17 0.18 0.02 1.88 0.09 0.00 0.00 178.44 181.77 2qx4 h TYR 42 N 0.43 1.03 -0.10 1.13 0.05 -1.84 -1.18 116.97 116.47 2qx4 h TYR 42 Ca 0.26 -0.16 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 2qx4 h TYR 42 Cb 0.26 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2qx4 h TYR 42 CO -0.14 0.91 -0.25 0.00 -1.05 0.00 0.00 178.16 177.63 2qx4 h ALA 43 N 1.13 1.39 -0.00 3.88 0.00 -1.74 -1.53 119.26 122.39 2qx4 h ALA 43 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qx4 h ALA 43 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qx4 h ALA 43 CO 0.02 0.43 -0.00 -1.33 0.00 0.00 0.00 179.25 178.37 2qx4 n MET 44 N -4.18 0.25 -3.96 0.00 2.81 -0.45 -4.90 117.12 106.70 2qx4 n MET 44 Ca -0.01 -0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 2qx4 n MET 44 Cb 0.35 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.37 2qx4 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qx4 n ASN 45 N -1.37 -4.02 -4.64 7.83 5.15 -0.57 -4.82 115.26 112.81 2qx4 n ASN 45 Ca 0.11 -0.84 -0.48 0.00 -0.60 0.00 0.00 54.58 52.77 2qx4 n ASN 45 Cb 0.28 -3.65 -0.05 0.00 -0.53 0.00 0.00 39.78 35.83 2qx4 n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2qx4 n PHE 46 N -4.59 2.00 -2.26 1.20 7.35 -0.53 -4.89 117.46 115.74 2qx4 n PHE 46 Ca 0.00 0.40 -0.43 0.00 -0.76 0.00 0.00 57.45 56.66 2qx4 n PHE 46 Cb 0.54 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 37.88 2qx4 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qx4 s GLU 47 N 0.86 4.01 0.18 -4.13 2.56 -1.26 -4.91 118.70 116.00 2qx4 s GLU 47 Ca 0.81 1.64 0.21 0.00 0.00 0.00 0.00 54.97 57.63 2qx4 s GLU 47 Cb -0.78 -3.91 -0.02 0.00 2.00 0.00 0.00 34.13 31.42 2qx4 s GLU 47 CO 0.42 -1.02 1.03 -1.35 -0.56 0.00 0.00 175.26 173.77 2qx4 h PRO 48 N 9.47 0.00 -6.64 4.30 0.11 -1.89 -3.43 132.00 133.93 2qx4 h PRO 48 Ca -0.31 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.29 2qx4 h PRO 48 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2qx4 h PRO 48 CO 0.99 0.08 0.48 1.03 -0.21 0.00 0.00 178.00 180.37 2qx4 s ARG 49 N -3.25 4.57 -0.61 1.05 0.52 -1.26 -4.37 118.95 115.61 2qx4 s ARG 49 Ca -0.01 1.72 -0.23 0.00 -0.52 0.00 0.00 55.73 56.69 2qx4 s ARG 49 Cb 0.09 -3.29 0.06 0.00 0.52 0.00 0.00 34.95 32.33 2qx4 s ARG 49 CO 0.79 0.04 0.94 0.00 0.02 0.00 0.00 175.30 177.08 2qx4 s ALA 50 N -0.10 3.14 0.34 2.13 0.00 -1.26 -4.98 121.76 121.03 2qx4 s ALA 50 Ca 0.50 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.92 2qx4 s ALA 50 Cb -0.29 -3.78 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 2qx4 s ALA 50 CO 0.34 -2.57 0.16 0.95 0.00 0.00 0.00 175.76 174.64 2qx4 s THR 51 N 3.95 0.42 -1.22 0.00 -4.23 -1.26 -5.02 115.64 108.28 2qx4 s THR 51 Ca 0.25 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.91 2qx4 s THR 51 Cb -0.15 -2.48 0.20 0.00 1.34 0.00 0.00 72.50 71.41 2qx4 s THR 51 CO 0.14 0.00 1.46 -0.90 -0.54 0.00 0.00 174.62 174.78 2qx4 n ASP 52 N -1.07 0.00 0.00 3.99 5.68 -1.26 -1.63 116.55 122.26 2qx4 n ASP 52 Ca -0.00 0.27 0.11 0.00 -0.50 0.00 0.00 54.79 54.67 2qx4 n ASP 52 Cb 0.65 -0.39 0.53 0.00 -1.14 0.00 0.00 41.12 40.77 2qx4 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qx4 n LYS 53 N -1.39 0.19 0.00 0.11 4.76 -1.26 -2.90 118.16 117.67 2qx4 n LYS 53 Ca 0.06 0.09 0.15 0.00 -2.87 0.00 0.00 58.31 55.74 2qx4 n LYS 53 Cb 0.15 -1.50 0.72 0.00 -1.84 0.00 0.00 35.03 32.55 2qx4 n LYS 53 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qx4 n ASP 54 N -1.37 0.05 -4.18 4.39 8.00 -0.64 -4.65 116.55 118.14 2qx4 n ASP 54 Ca 0.08 -0.07 -0.30 0.00 0.71 0.00 0.00 54.79 55.21 2qx4 n ASP 54 Cb 0.21 -0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 40.85 2qx4 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qx4 s ILE 55 N -2.64 1.81 -0.26 0.53 1.09 -1.14 -0.88 121.20 119.71 2qx4 s ILE 55 Ca 0.26 -0.89 0.17 0.00 -1.10 0.00 0.00 60.65 59.09 2qx4 s ILE 55 Cb 0.20 -1.57 -0.24 0.00 -1.06 0.00 0.00 42.46 39.79 2qx4 s ILE 55 CO 0.48 0.51 0.47 0.35 -0.10 0.00 0.00 174.94 176.65 2qx4 n THR 56 N 3.47 0.00 -2.08 2.92 -2.24 0.37 -4.92 114.28 111.80 2qx4 n THR 56 Ca -0.20 -0.30 -0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2qx4 n THR 56 Cb 0.53 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 2qx4 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qx4 n GLY 57 N 1.49 0.51 3.70 3.38 0.00 -1.26 -5.01 105.19 108.00 2qx4 n GLY 57 Ca -0.01 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2qx4 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qx4 s THR 58 N 0.01 2.86 0.48 2.61 2.01 -1.26 -4.97 115.64 117.37 2qx4 s THR 58 Ca 0.01 0.49 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 2qx4 s THR 58 Cb -0.00 -3.32 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 2qx4 s THR 58 CO 0.01 0.02 1.10 -0.76 -0.69 0.00 0.00 174.62 174.30 2qx4 s LEU 59 N 1.84 3.91 0.22 4.42 1.43 -1.26 -4.94 118.68 124.29 2qx4 s LEU 59 Ca 0.71 2.11 -0.04 0.00 -1.03 0.00 0.00 54.13 55.89 2qx4 s LEU 59 Cb -0.41 -4.43 0.20 0.00 0.03 0.00 0.00 46.19 41.57 2qx4 s LEU 59 CO 0.32 -0.89 1.63 0.28 0.23 0.00 0.00 176.35 177.91 2qx4 h SER 60 N 1.73 0.76 -2.53 2.29 0.02 -1.93 -3.37 113.55 110.51 2qx4 h SER 60 Ca -0.49 -0.28 -0.59 0.00 -0.84 0.00 0.00 61.79 59.59 2qx4 h SER 60 Cb 1.24 -0.21 -0.39 0.00 0.14 0.00 0.00 62.40 63.18 2qx4 h SER 60 CO 0.59 0.97 -0.90 0.21 -1.14 0.00 0.00 176.83 176.56 2qx4 s ASN 61 N -6.77 2.20 0.00 3.07 3.84 -1.26 -4.99 114.94 111.03 2qx4 s ASN 61 Ca -0.09 -2.80 0.10 0.00 0.21 0.00 0.00 52.86 50.27 2qx4 s ASN 61 Cb 0.13 -0.52 0.50 0.00 -0.55 0.00 0.00 41.25 40.81 2qx4 s ASN 61 CO 0.83 -0.22 1.19 -0.81 -2.79 0.00 0.00 177.10 175.31 2qx4 n PRO 62 N 3.22 0.15 -0.01 0.43 -0.04 -1.26 -2.95 135.00 134.53 2qx4 n PRO 62 Ca 0.23 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 2qx4 n PRO 62 Cb 0.43 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 2qx4 n PRO 62 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2qx4 n GLU 63 N -1.28 0.65 -3.55 0.54 1.02 -1.26 -4.77 120.64 111.99 2qx4 n GLU 63 Ca 0.05 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.92 2qx4 n GLU 63 Cb 0.08 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.70 2qx4 n GLU 63 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2qx4 s VAL 64 N -3.03 -0.07 -0.04 2.62 1.01 -1.15 -5.12 120.40 114.62 2qx4 s VAL 64 Ca -0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 2qx4 s VAL 64 Cb 0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2qx4 s VAL 64 CO 0.85 -0.67 1.36 0.12 0.00 0.00 0.00 175.10 176.75 2qx4 s PHE 65 N 2.10 2.86 -0.25 5.22 5.36 -1.26 -4.81 117.98 127.21 2qx4 s PHE 65 Ca 0.08 0.89 0.01 0.00 -0.96 0.00 0.00 56.93 56.95 2qx4 s PHE 65 Cb -0.16 -3.61 0.06 0.00 -0.34 0.00 0.00 43.02 38.98 2qx4 s PHE 65 CO -0.33 -2.19 -0.06 1.21 -1.46 0.00 0.00 175.22 172.39 2qx4 s ASN 66 N 1.91 4.01 0.21 6.13 3.84 -1.26 -5.04 114.94 124.74 2qx4 s ASN 66 Ca 0.61 -1.28 -0.10 0.00 0.21 0.00 0.00 52.86 52.31 2qx4 s ASN 66 Cb -0.29 -1.26 0.22 0.00 -0.55 0.00 0.00 41.25 39.37 2qx4 s ASN 66 CO 0.24 -0.24 1.81 0.22 -2.79 0.00 0.00 177.10 176.35 2qx4 h TYR 67 N 7.91 0.70 -0.27 0.43 3.20 -1.97 -0.50 116.97 126.47 2qx4 h TYR 67 Ca -0.17 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 2qx4 h TYR 67 Cb 1.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 2qx4 h TYR 67 CO 0.52 0.35 0.12 0.78 -1.64 0.00 0.00 178.16 178.29 2qx4 h GLY 68 N 0.71 0.42 0.85 1.82 0.00 -1.99 -0.46 103.07 104.43 2qx4 h GLY 68 Ca 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2qx4 h GLY 68 CO -0.16 0.21 0.05 -2.08 0.00 0.00 0.00 176.54 174.55 2qx4 h VAL 69 N 0.29 1.21 -0.37 4.60 2.07 -1.95 -1.52 116.25 120.59 2qx4 h VAL 69 Ca 0.09 -0.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2qx4 h VAL 69 Cb 0.15 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2qx4 h VAL 69 CO -0.01 0.21 -0.22 -0.33 0.02 0.00 0.00 177.57 177.23 2qx4 h GLU 70 N 0.14 0.72 -0.02 1.57 4.39 -1.02 -1.98 114.58 118.39 2qx4 h GLU 70 Ca 0.06 -0.29 -0.16 0.00 0.34 0.00 0.00 59.36 59.31 2qx4 h GLU 70 Cb 0.27 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2qx4 h GLU 70 CO 0.00 0.88 -0.74 1.79 -1.16 0.00 0.00 179.01 179.78 2qx4 h THR 71 N 0.63 1.47 -0.25 1.13 1.35 -1.05 -0.27 112.91 115.92 2qx4 h THR 71 Ca 0.09 -2.38 -0.01 0.00 -0.55 0.00 0.00 66.41 63.56 2qx4 h THR 71 Cb 0.72 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 2qx4 h THR 71 CO 0.06 0.69 0.10 -0.74 -0.25 0.00 0.00 175.52 175.38 2qx4 h HIS 72 N 0.09 0.37 -0.44 4.73 -0.00 -1.04 0.16 115.15 119.01 2qx4 h HIS 72 Ca -0.02 -0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.20 2qx4 h HIS 72 Cb 1.30 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 2qx4 h HIS 72 CO 0.02 0.38 -0.22 0.93 -0.00 0.00 0.00 177.93 179.04 2qx4 h GLU 73 N 0.25 0.89 -0.34 5.26 4.39 -1.30 -2.47 114.58 121.26 2qx4 h GLU 73 Ca 0.08 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.36 2qx4 h GLU 73 Cb 0.16 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2qx4 h GLU 73 CO -0.01 1.02 -0.01 0.00 -1.16 0.00 0.00 179.01 178.85 2qx4 h ALA 74 N 0.97 1.35 -0.22 3.43 0.00 -0.86 -0.45 119.26 123.48 2qx4 h ALA 74 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2qx4 h ALA 74 Cb 0.76 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2qx4 h ALA 74 CO 0.06 0.45 0.05 -0.92 0.00 0.00 0.00 179.25 178.89 2qx4 h TYR 75 N 0.50 0.38 -0.33 0.00 3.20 -0.70 0.25 116.97 120.27 2qx4 h TYR 75 Ca 0.11 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2qx4 h TYR 75 Cb 0.35 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2qx4 h TYR 75 CO 0.01 0.48 -0.03 0.87 -1.64 0.00 0.00 178.16 177.85 2qx4 h LYS 76 N 0.18 0.53 0.00 1.82 1.57 -1.12 -2.70 116.57 116.84 2qx4 h LYS 76 Ca 0.07 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qx4 h LYS 76 Cb 0.29 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qx4 h LYS 76 CO 0.00 0.57 -0.38 1.04 -0.57 0.00 0.00 179.45 180.12 2qx4 n GLN 77 N -4.26 0.10 -2.99 3.15 1.13 -0.21 -4.95 117.38 109.35 2qx4 n GLN 77 Ca 0.01 0.04 -0.12 0.00 -1.94 0.00 0.00 57.00 54.99 2qx4 n GLN 77 Cb 0.26 -1.58 0.05 0.00 0.11 0.00 0.00 30.24 29.09 2qx4 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qx4 n ARG 78 N -1.73 -4.36 -0.39 -1.09 1.74 0.57 -4.96 116.66 106.44 2qx4 n ARG 78 Ca 0.05 0.51 0.07 0.00 -0.77 0.00 0.00 57.85 57.72 2qx4 n ARG 78 Cb 0.37 -4.55 0.14 0.00 -1.02 0.00 0.00 32.46 27.40 2qx4 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qx4 n SER 79 N -1.88 1.81 -4.84 0.55 3.41 0.49 -5.03 113.62 108.13 2qx4 n SER 79 Ca -0.10 -3.19 -0.32 0.00 -0.26 0.00 0.00 58.87 54.99 2qx4 n SER 79 Cb 0.58 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2qx4 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qx4 s LEU 80 N -2.53 3.73 0.48 1.04 1.43 -1.24 -0.48 118.68 121.12 2qx4 s LEU 80 Ca 0.31 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.68 2qx4 s LEU 80 Cb 0.29 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 2qx4 s LEU 80 CO -0.02 -0.50 1.25 0.00 0.23 0.00 0.00 176.35 177.31 2qx4 n ALA 81 N -1.32 1.20 0.26 4.21 0.00 -0.06 -4.81 120.51 120.00 2qx4 n ALA 81 Ca 0.06 0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.79 2qx4 n ALA 81 Cb 0.54 -2.27 0.68 0.00 0.00 0.00 0.00 19.45 18.40 2qx4 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qx4 h SER 82 N 1.67 0.00 0.11 0.00 4.64 -1.94 -2.04 113.55 115.99 2qx4 h SER 82 Ca -0.49 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.78 2qx4 h SER 82 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2qx4 h SER 82 CO 0.58 0.10 -0.18 -2.24 -0.87 0.00 0.00 176.83 174.22 2qx4 h ASP 83 N 0.00 0.14 -0.03 4.97 2.03 -2.00 0.57 116.42 122.11 2qx4 h ASP 83 Ca -0.00 -0.03 -0.05 0.00 -0.73 0.00 0.00 57.03 56.22 2qx4 h ASP 83 Cb 0.22 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 2qx4 h ASP 83 CO 0.01 0.34 -0.16 0.40 -1.03 0.00 0.00 179.24 178.80 2qx4 h ILE 84 N 0.14 1.50 -0.07 4.15 2.04 -1.74 -2.97 117.51 120.56 2qx4 h ILE 84 Ca 0.03 -1.69 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 2qx4 h ILE 84 Cb 0.41 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2qx4 h ILE 84 CO 0.03 0.46 -0.25 0.71 0.00 0.00 0.00 178.15 179.10 2qx4 h THR 85 N -0.45 1.21 -0.74 -0.27 1.35 -1.22 -1.25 112.91 111.55 2qx4 h THR 85 Ca -0.01 -1.00 0.03 0.00 -0.55 0.00 0.00 66.41 64.88 2qx4 h THR 85 Cb 0.84 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 2qx4 h THR 85 CO 0.03 0.30 0.47 0.44 -0.25 0.00 0.00 175.52 176.51 2qx4 h ASP 86 N 0.11 0.78 -0.19 5.36 3.32 -0.89 -1.33 116.42 123.58 2qx4 h ASP 86 Ca 0.02 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2qx4 h ASP 86 Cb 0.51 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2qx4 h ASP 86 CO 0.04 0.54 -0.48 -0.33 -1.72 0.00 0.00 179.24 177.29 2qx4 h GLU 87 N 0.92 0.76 -0.53 3.56 4.39 -1.18 -2.92 114.58 119.58 2qx4 h GLU 87 Ca 0.29 -0.44 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 2qx4 h GLU 87 Cb 0.00 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2qx4 h GLU 87 CO -0.10 1.07 0.32 1.96 -1.16 0.00 0.00 179.01 181.09 2qx4 h GLN 88 N 0.60 0.71 -0.57 2.33 4.20 -0.85 -0.88 115.11 120.65 2qx4 h GLN 88 Ca 0.03 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 2qx4 h GLN 88 Cb 1.05 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 2qx4 h GLN 88 CO 0.10 0.50 0.06 -0.22 -0.67 0.00 0.00 178.83 178.61 2qx4 h LYS 89 N 0.73 0.97 -0.57 1.46 3.64 -1.11 0.10 116.57 121.78 2qx4 h LYS 89 Ca 0.19 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2qx4 h LYS 89 Cb -0.03 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 2qx4 h LYS 89 CO -0.04 0.94 0.24 0.87 -2.27 0.00 0.00 179.45 179.19 2qx4 h LYS 90 N 0.86 0.85 -0.34 1.90 1.57 -1.12 -1.94 116.57 118.35 2qx4 h LYS 90 Ca 0.17 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2qx4 h LYS 90 Cb 0.46 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2qx4 h LYS 90 CO 0.02 0.73 -0.09 0.28 -0.57 0.00 0.00 179.45 179.81 2qx4 h VAL 91 N 0.79 1.28 -0.91 0.50 2.07 -0.96 -2.31 116.25 116.70 2qx4 h VAL 91 Ca 0.19 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.63 2qx4 h VAL 91 Cb 0.18 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2qx4 h VAL 91 CO -0.02 0.38 0.57 -0.09 0.02 0.00 0.00 177.57 178.43 2qx4 h ARG 92 N 0.45 0.98 0.00 1.57 2.43 -0.63 -2.20 114.38 116.99 2qx4 h ARG 92 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2qx4 h ARG 92 Cb 0.60 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2qx4 h ARG 92 CO 0.04 0.65 -0.14 0.93 -1.51 0.00 0.00 179.97 179.94 2qx4 h GLU 93 N 1.01 0.00 -6.91 0.20 5.08 -1.29 -3.47 114.58 109.21 2qx4 h GLU 93 Ca 0.41 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.28 2qx4 h GLU 93 Cb 0.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.50 2qx4 h GLU 93 CO -0.19 0.00 0.43 0.00 -1.00 0.00 0.00 179.01 178.25 2qx4 s ALA 94 N -3.23 3.19 -0.11 3.43 0.00 -0.83 -4.72 121.76 119.49 2qx4 s ALA 94 Ca 0.06 0.77 0.17 0.00 0.00 0.00 0.00 51.96 52.95 2qx4 s ALA 94 Cb 0.06 -3.29 -0.21 0.00 0.00 0.00 0.00 23.12 19.68 2qx4 s ALA 94 CO 0.69 -0.20 0.55 -0.25 0.00 0.00 0.00 175.76 176.55 2qx4 n ASP 95 N 0.36 0.55 -3.83 0.00 8.00 0.59 -4.89 116.55 117.33 2qx4 n ASP 95 Ca 0.03 0.25 -0.14 0.00 0.71 0.00 0.00 54.79 55.64 2qx4 n ASP 95 Cb 0.48 0.50 -0.15 0.00 -0.02 0.00 0.00 41.12 41.93 2qx4 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qx4 s LEU 96 N -5.66 1.53 -0.19 0.64 2.96 -1.01 -1.36 118.68 115.59 2qx4 s LEU 96 Ca -0.06 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2qx4 s LEU 96 Cb 0.08 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.72 2qx4 s LEU 96 CO 0.83 -0.06 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.92 2qx4 s VAL 97 N 0.55 2.11 -0.16 1.68 1.01 -0.11 -1.33 120.40 124.15 2qx4 s VAL 97 Ca -0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 2qx4 s VAL 97 Cb -0.07 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2qx4 s VAL 97 CO -0.01 0.49 0.05 -0.63 0.00 0.00 0.00 175.10 175.00 2qx4 s ILE 98 N 1.28 4.73 -0.22 2.22 1.01 0.23 -1.14 121.20 129.31 2qx4 s ILE 98 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.57 2qx4 s ILE 98 Cb -0.14 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2qx4 s ILE 98 CO -0.12 0.50 0.03 -0.36 0.00 0.00 0.00 174.94 174.99 2qx4 s PHE 99 N 0.09 3.07 -0.24 3.97 0.08 -0.07 -0.22 117.98 124.66 2qx4 s PHE 99 Ca 0.05 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 2qx4 s PHE 99 Cb -0.12 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2qx4 s PHE 99 CO 0.01 -0.28 -0.06 -1.14 -0.10 0.00 0.00 175.22 173.64 2qx4 s GLN 100 N 1.26 3.00 -0.01 0.44 2.00 -0.06 -0.27 119.66 126.02 2qx4 s GLN 100 Ca 0.04 -0.87 -0.28 0.00 -2.00 0.00 0.00 55.36 52.25 2qx4 s GLN 100 Cb -0.15 -2.98 0.10 0.00 0.80 0.00 0.00 33.01 30.78 2qx4 s GLN 100 CO 0.02 -0.33 0.82 -0.59 -0.50 0.00 0.00 175.29 174.71 2qx4 s PHE 101 N 1.37 -0.43 0.19 1.67 -0.12 -0.85 -1.36 117.98 118.45 2qx4 s PHE 101 Ca 0.02 0.43 -0.23 0.00 -0.05 0.00 0.00 56.93 57.10 2qx4 s PHE 101 Cb -0.16 0.51 -0.08 0.00 -0.63 0.00 0.00 43.02 42.66 2qx4 s PHE 101 CO -0.05 -0.58 0.76 -1.25 -0.05 0.00 0.00 175.22 174.06 2qx4 s PRO 102 N -2.62 4.46 0.05 1.99 0.04 -1.26 -2.06 135.00 135.60 2qx4 s PRO 102 Ca 0.01 1.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 2qx4 s PRO 102 Cb -0.01 -3.12 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 2qx4 s PRO 102 CO -0.05 0.51 1.48 -1.17 0.04 0.00 0.00 177.00 177.80 2qx4 s LEU 103 N -1.45 4.35 -0.21 -3.56 2.96 0.05 -4.35 118.68 116.48 2qx4 s LEU 103 Ca 0.38 2.29 0.02 0.00 -0.22 0.00 0.00 54.13 56.60 2qx4 s LEU 103 Cb -0.21 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.95 2qx4 s LEU 103 CO 0.24 -0.76 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.04 2qx4 s TYR 104 N 2.09 2.96 -1.31 5.38 1.51 -0.27 -4.75 117.35 122.97 2qx4 s TYR 104 Ca 0.67 -1.90 -0.05 0.00 -1.01 0.00 0.00 57.07 54.79 2qx4 s TYR 104 Cb -0.36 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.56 2qx4 s TYR 104 CO 0.29 -0.83 0.60 0.91 -1.11 0.00 0.00 175.55 175.41 2qx4 n TRP 105 N 4.55 -1.81 -2.37 2.71 7.02 -1.26 -1.43 117.44 124.86 2qx4 n TRP 105 Ca -0.18 0.72 -0.19 0.00 -1.02 0.00 0.00 57.50 56.83 2qx4 n TRP 105 Cb 0.47 -3.91 -0.01 0.00 -2.42 0.00 0.00 31.31 25.44 2qx4 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2qx4 n PHE 106 N -4.28 -1.06 -2.49 -5.99 3.01 -1.26 -4.89 117.46 100.49 2qx4 n PHE 106 Ca -0.26 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.20 2qx4 n PHE 106 Cb 0.66 -3.64 0.00 0.00 -0.01 0.00 0.00 39.48 36.49 2qx4 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qx4 n SER 107 N -1.92 0.00 -4.87 4.37 2.88 -0.51 -4.88 113.62 108.69 2qx4 n SER 107 Ca -0.22 -0.41 -0.31 0.00 -1.33 0.00 0.00 58.87 56.60 2qx4 n SER 107 Cb 0.67 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.08 2qx4 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qx4 s VAL 108 N -2.92 4.80 0.67 2.46 -7.23 -1.26 -1.12 120.40 115.81 2qx4 s VAL 108 Ca 0.00 0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 60.63 2qx4 s VAL 108 Cb 0.00 -3.67 -0.00 0.00 0.56 0.00 0.00 36.38 33.26 2qx4 s VAL 108 CO 0.00 -0.31 1.20 -2.65 -0.31 0.00 0.00 175.10 173.03 2qx4 n PRO 109 N -0.75 0.92 -0.07 4.82 -0.02 -1.26 -4.60 135.00 134.03 2qx4 n PRO 109 Ca 0.02 0.37 0.18 0.00 -2.02 0.00 0.00 63.50 62.05 2qx4 n PRO 109 Cb 0.53 -2.44 0.60 0.00 -0.02 0.00 0.00 33.50 32.18 2qx4 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qx4 h ALA 110 N 0.29 2.32 -0.27 3.55 0.00 -1.96 -0.26 119.26 122.93 2qx4 h ALA 110 Ca -0.50 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2qx4 h ALA 110 Cb 1.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2qx4 h ALA 110 CO 0.51 -0.50 -0.19 0.97 0.00 0.00 0.00 179.25 180.05 2qx4 h ILE 111 N 0.19 1.25 0.06 0.00 2.10 -1.94 0.31 117.51 119.48 2qx4 h ILE 111 Ca 0.30 -1.15 -0.24 0.00 1.08 0.00 0.00 64.86 64.85 2qx4 h ILE 111 Cb 0.93 1.25 -0.00 0.00 -1.09 0.00 0.00 36.82 37.90 2qx4 h ILE 111 CO -0.05 0.37 -1.07 0.25 -1.08 0.00 0.00 178.15 176.56 2qx4 h LEU 112 N 0.45 0.33 -1.41 2.19 5.85 -1.45 -2.65 115.31 118.61 2qx4 h LEU 112 Ca 0.07 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2qx4 h LEU 112 Cb 0.59 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2qx4 h LEU 112 CO 0.04 1.20 0.17 0.50 -0.34 0.00 0.00 178.44 180.00 2qx4 h LYS 113 N 0.09 0.57 -0.37 1.25 1.63 -0.69 -1.57 116.57 117.48 2qx4 h LYS 113 Ca -0.08 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 59.55 2qx4 h LYS 113 Cb 1.77 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.27 2qx4 h LYS 113 CO 0.17 0.47 -0.16 0.78 -3.45 0.00 0.00 179.45 177.25 2qx4 h GLY 114 N 0.71 0.75 0.96 5.01 0.00 -0.82 0.64 103.07 110.32 2qx4 h GLY 114 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2qx4 h GLY 114 CO -0.02 0.54 0.20 -0.25 0.00 0.00 0.00 176.54 177.01 2qx4 h TRP 115 N 0.62 0.52 -0.52 5.60 7.01 -0.99 -0.71 115.95 127.49 2qx4 h TRP 115 Ca 0.10 -0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.98 2qx4 h TRP 115 Cb 0.63 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 2qx4 h TRP 115 CO 0.03 0.42 -0.10 0.52 -2.79 0.00 0.00 178.44 176.52 2qx4 h MET 116 N 0.47 0.98 -0.61 2.65 2.86 -0.77 0.24 114.93 120.75 2qx4 h MET 116 Ca 0.13 -0.36 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2qx4 h MET 116 Cb 0.08 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 2qx4 h MET 116 CO -0.02 1.03 0.34 -0.44 1.06 0.00 0.00 176.91 178.89 2qx4 h ASP 117 N 0.84 0.75 0.33 1.22 3.32 -0.69 -2.93 116.42 119.27 2qx4 h ASP 117 Ca 0.13 -0.09 -0.32 0.00 0.02 0.00 0.00 57.03 56.77 2qx4 h ASP 117 Cb 0.66 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2qx4 h ASP 117 CO 0.05 0.62 -1.81 0.03 -1.72 0.00 0.00 179.24 176.40 2qx4 h ARG 118 N 0.83 0.14 0.14 3.56 3.08 -1.06 -3.40 114.38 117.66 2qx4 h ARG 118 Ca 0.22 -0.24 -0.30 0.00 0.07 0.00 0.00 59.98 59.73 2qx4 h ARG 118 Cb 0.03 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2qx4 h ARG 118 CO -0.04 0.87 -1.42 0.28 -1.07 0.00 0.00 179.97 178.60 2qx4 h VAL 119 N 0.04 1.30 -1.18 2.04 2.07 -1.06 -3.38 116.25 116.07 2qx4 h VAL 119 Ca -0.34 -2.89 -0.74 0.00 0.82 0.00 0.00 66.70 63.55 2qx4 h VAL 119 Cb 2.02 2.86 -0.13 0.00 -1.52 0.00 0.00 31.29 34.52 2qx4 h VAL 119 CO 0.09 0.85 2.35 0.18 0.02 0.00 0.00 177.57 181.06 2qx4 n LEU 120 N -3.51 7.65 -4.91 2.57 4.77 -1.11 -4.79 117.00 117.67 2qx4 n LEU 120 Ca -0.13 -4.80 -0.27 0.00 -0.03 0.00 0.00 56.01 50.78 2qx4 n LEU 120 Cb 1.04 -1.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2qx4 n LEU 120 CO 0.53 1.85 0.52 0.00 -1.33 0.00 0.00 177.39 178.96 2qx4 s GLN 122 N -4.93 4.14 0.00 0.00 0.74 -1.26 -1.27 119.66 117.09 2qx4 s GLN 122 Ca 0.52 2.44 0.00 0.00 0.05 0.00 0.00 55.36 58.36 2qx4 s GLN 122 Cb -0.10 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.04 2qx4 s GLN 122 CO 0.46 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 175.16 2qx4 n GLY 123 N 0.57 2.97 0.12 2.59 0.00 0.89 -4.46 105.19 107.87 2qx4 n GLY 123 Ca 0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2qx4 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qx4 n PHE 124 N 0.00 0.01 -0.04 1.61 7.35 -0.73 -4.78 117.46 120.87 2qx4 n PHE 124 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 2qx4 n PHE 124 Cb 0.00 -0.81 -0.14 0.00 0.35 0.00 0.00 39.48 38.88 2qx4 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qx4 n ALA 125 N -4.32 1.93 -3.68 3.13 0.00 -0.40 -4.63 120.51 112.55 2qx4 n ALA 125 Ca -0.40 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.08 2qx4 n ALA 125 Cb 0.75 -0.58 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2qx4 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2qx4 s PHE 126 N -2.87 -0.33 0.25 0.00 -0.71 -1.25 -1.83 117.98 111.25 2qx4 s PHE 126 Ca -0.07 -0.02 -0.01 0.00 -1.04 0.00 0.00 56.93 55.78 2qx4 s PHE 126 Cb 0.09 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.52 2qx4 s PHE 126 CO 0.84 -1.06 0.25 0.34 -1.34 0.00 0.00 175.22 174.26 2qx4 s ASP 127 N -2.84 0.49 -0.34 1.98 -1.08 -0.31 -0.08 116.67 114.49 2qx4 s ASP 127 Ca 0.07 -1.40 0.03 0.00 -0.52 0.00 0.00 52.55 50.73 2qx4 s ASP 127 Cb -0.04 0.48 0.10 0.00 -1.46 0.00 0.00 42.92 42.00 2qx4 s ASP 127 CO -0.01 -0.98 0.07 -0.63 0.52 0.00 0.00 175.17 174.13 2qx4 s ILE 128 N -3.87 2.06 0.81 4.11 -1.09 -1.26 -1.87 121.20 120.09 2qx4 s ILE 128 Ca 0.36 -2.25 -0.12 0.00 -2.23 0.00 0.00 60.65 56.41 2qx4 s ILE 128 Cb 0.04 -2.52 0.08 0.00 -1.58 0.00 0.00 42.46 38.48 2qx4 s ILE 128 CO 0.16 -0.63 1.16 -2.16 -1.23 0.00 0.00 174.94 172.24 2qx4 s PRO 129 N 0.95 1.95 0.00 2.79 0.04 -1.26 -5.14 135.00 134.34 2qx4 s PRO 129 Ca 0.11 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2qx4 s PRO 129 Cb -0.19 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2qx4 s PRO 129 CO -0.10 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2qx4 n GLY 130 N -3.06 0.25 3.39 0.56 0.00 -0.78 -5.09 105.19 100.46 2qx4 n GLY 130 Ca 0.08 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 2qx4 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qx4 s PHE 131 N 0.00 0.89 0.00 1.61 -0.12 -1.21 -1.16 117.98 117.99 2qx4 s PHE 131 Ca 0.00 -1.14 0.00 0.00 -0.05 0.00 0.00 56.93 55.74 2qx4 s PHE 131 Cb 0.00 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 2qx4 s PHE 131 CO 0.00 -0.85 0.00 0.66 -0.05 0.00 0.00 175.22 174.98 2qx4 n TYR 132 N -0.37 0.00 0.29 3.49 4.01 0.11 -1.44 117.16 123.24 2qx4 n TYR 132 Ca 0.01 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.92 2qx4 n TYR 132 Cb 0.64 0.00 0.94 0.00 -0.31 0.00 0.00 39.34 40.61 2qx4 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qx4 h ASP 133 N 0.00 0.00 -0.43 7.72 3.32 -1.88 0.18 116.42 125.32 2qx4 h ASP 133 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2qx4 h ASP 133 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2qx4 h ASP 133 CO 0.00 0.00 0.02 -1.54 -1.72 0.00 0.00 179.24 176.00 2qx4 n SER 134 N -2.79 4.68 -4.67 6.45 3.41 -0.52 -4.93 113.62 115.25 2qx4 n SER 134 Ca -0.02 -3.04 -0.32 0.00 -0.26 0.00 0.00 58.87 55.23 2qx4 n SER 134 Cb 0.15 -0.63 0.16 0.00 -0.26 0.00 0.00 64.21 63.63 2qx4 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qx4 n GLY 135 N -0.05 -0.28 0.16 5.00 0.00 0.63 -3.33 105.19 107.32 2qx4 n GLY 135 Ca 0.26 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.77 2qx4 n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qx4 h LEU 136 N -1.57 0.00 -3.27 0.99 3.38 -1.12 -2.88 115.31 110.84 2qx4 h LEU 136 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 2qx4 h LEU 136 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2qx4 h LEU 136 CO 0.43 0.00 0.07 0.18 0.09 0.00 0.00 178.44 179.20 2qx4 n LEU 137 N -2.48 5.23 -4.70 1.67 4.77 0.23 -4.97 117.00 116.74 2qx4 n LEU 137 Ca 0.03 -2.67 -0.38 0.00 -0.03 0.00 0.00 56.01 52.96 2qx4 n LEU 137 Cb 0.34 -0.68 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 2qx4 n LEU 137 CO 0.26 0.62 0.84 0.00 -1.33 0.00 0.00 177.39 177.78 2qx4 n GLN 138 N 0.36 1.28 0.00 3.23 10.64 -1.09 -2.01 117.38 129.79 2qx4 n GLN 138 Ca 0.27 0.48 0.00 0.00 -1.83 0.00 0.00 57.00 55.93 2qx4 n GLN 138 Cb 1.12 -2.45 0.00 0.00 -0.86 0.00 0.00 30.24 28.06 2qx4 n GLN 138 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qx4 n GLY 139 N 0.96 2.76 3.93 2.61 0.00 -1.26 -5.00 105.19 109.19 2qx4 n GLY 139 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2qx4 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx4 s LYS 140 N -0.84 3.44 0.10 1.61 1.02 -0.85 -4.99 119.74 119.23 2qx4 s LYS 140 Ca 0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.49 2qx4 s LYS 140 Cb 0.00 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2qx4 s LYS 140 CO 0.00 0.55 0.09 -0.51 -0.92 0.00 0.00 175.35 174.56 2qx4 s LEU 141 N -2.97 3.80 0.02 3.17 1.43 -0.46 -1.03 118.68 122.64 2qx4 s LEU 141 Ca 0.35 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 2qx4 s LEU 141 Cb -0.12 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 2qx4 s LEU 141 CO 0.28 0.15 -0.04 0.00 0.23 0.00 0.00 176.35 176.97 2qx4 s ALA 142 N -1.46 0.23 -0.09 4.21 0.00 -0.23 -0.93 121.76 123.49 2qx4 s ALA 142 Ca 0.30 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 2qx4 s ALA 142 Cb -0.12 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2qx4 s ALA 142 CO 0.22 -0.10 0.21 -1.17 0.00 0.00 0.00 175.76 174.92 2qx4 s LEU 143 N -1.30 0.68 -0.26 0.00 0.20 -0.29 -0.79 118.68 116.92 2qx4 s LEU 143 Ca -0.12 0.43 -0.14 0.00 0.69 0.00 0.00 54.13 54.98 2qx4 s LEU 143 Cb -0.09 0.61 -0.04 0.00 -0.43 0.00 0.00 46.19 46.24 2qx4 s LEU 143 CO -0.01 -0.14 0.34 -0.76 -0.29 0.00 0.00 176.35 175.49 2qx4 s LEU 144 N 0.99 4.06 -0.40 -0.68 1.43 -1.26 -0.90 118.68 121.92 2qx4 s LEU 144 Ca -0.07 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2qx4 s LEU 144 Cb -0.09 -2.38 0.10 0.00 0.03 0.00 0.00 46.19 43.85 2qx4 s LEU 144 CO -0.06 -0.13 0.19 -0.55 0.23 0.00 0.00 176.35 176.03 2qx4 s SER 145 N 1.52 5.29 0.03 2.29 0.15 0.63 -0.67 113.70 122.93 2qx4 s SER 145 Ca 0.14 -1.83 0.06 0.00 0.70 0.00 0.00 55.95 55.02 2qx4 s SER 145 Cb -0.15 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 2qx4 s SER 145 CO 0.09 -0.51 -0.16 0.54 1.20 0.00 0.00 173.24 174.41 2qx4 s VAL 146 N 1.21 2.95 0.14 4.45 0.11 0.13 -2.00 120.40 127.39 2qx4 s VAL 146 Ca 0.05 -1.08 0.08 0.00 -2.93 0.00 0.00 61.98 58.10 2qx4 s VAL 146 Cb -0.23 -2.24 -0.04 0.00 -1.53 0.00 0.00 36.38 32.34 2qx4 s VAL 146 CO -0.03 0.37 -0.09 0.42 -3.33 0.00 0.00 175.10 172.44 2qx4 s THR 147 N -0.92 3.31 0.23 5.04 -4.23 -0.87 -0.95 115.64 117.24 2qx4 s THR 147 Ca 0.15 -1.43 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 2qx4 s THR 147 Cb -0.11 -2.59 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 2qx4 s THR 147 CO 0.05 0.02 -0.04 0.42 -0.54 0.00 0.00 174.62 174.53 2qx4 s THR 148 N -1.42 1.25 -0.10 3.99 -4.23 -1.01 -0.77 115.64 113.35 2qx4 s THR 148 Ca 0.23 -2.07 -0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2qx4 s THR 148 Cb -0.10 -2.27 -0.26 0.00 1.34 0.00 0.00 72.50 71.21 2qx4 s THR 148 CO 0.14 -0.40 0.44 0.61 -0.54 0.00 0.00 174.62 174.87 2qx4 n GLY 149 N -0.42 -0.64 3.81 3.99 0.00 -1.26 -1.93 105.19 108.73 2qx4 n GLY 149 Ca -0.06 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2qx4 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qx4 s GLY 150 N -5.48 2.20 0.68 -0.02 0.00 -1.26 -4.42 107.32 99.03 2qx4 s GLY 150 Ca -0.19 0.40 -0.10 0.00 0.00 0.00 0.00 44.72 44.83 2qx4 s GLY 150 CO 0.78 0.71 1.05 -0.51 0.00 0.00 0.00 173.10 175.13 2qx4 s THR 151 N -2.38 3.40 0.36 0.90 -4.23 -1.26 -3.15 115.64 109.28 2qx4 s THR 151 Ca 0.63 0.31 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 2qx4 s THR 151 Cb -0.15 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.56 2qx4 s THR 151 CO 0.32 -0.53 1.96 0.00 -0.54 0.00 0.00 174.62 175.82 2qx4 h ALA 152 N -0.56 1.68 -0.83 3.99 0.00 -1.93 -1.68 119.26 119.93 2qx4 h ALA 152 Ca -0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2qx4 h ALA 152 Cb 1.26 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2qx4 h ALA 152 CO 0.63 0.20 0.38 0.93 0.00 0.00 0.00 179.25 181.40 2qx4 h GLU 153 N 0.78 1.21 0.00 0.00 4.39 -2.00 -1.66 114.58 117.31 2qx4 h GLU 153 Ca 0.32 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.78 2qx4 h GLU 153 Cb 0.25 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2qx4 h GLU 153 CO -0.11 0.95 -0.21 0.52 -1.16 0.00 0.00 179.01 179.00 2qx4 h MET 154 N 1.20 0.00 -2.08 2.33 2.86 -1.69 -3.12 114.93 114.43 2qx4 h MET 154 Ca 0.28 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 57.23 2qx4 h MET 154 Cb 0.15 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.58 2qx4 h MET 154 CO -0.03 0.21 0.97 0.66 1.06 0.00 0.00 176.91 179.78 2qx4 n TYR 155 N -3.92 2.52 -4.39 -0.22 4.01 -0.62 -1.38 117.16 113.16 2qx4 n TYR 155 Ca -0.02 -2.28 -0.20 0.00 -0.16 0.00 0.00 57.90 55.25 2qx4 n TYR 155 Cb 0.30 -1.30 -0.10 0.00 -0.31 0.00 0.00 39.34 37.93 2qx4 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2qx4 s THR 156 N -3.85 1.48 0.37 -0.72 -4.23 -0.94 -2.63 115.64 105.12 2qx4 s THR 156 Ca 0.52 -2.11 0.14 0.00 -1.18 0.00 0.00 61.69 59.06 2qx4 s THR 156 Cb 0.37 -2.35 0.36 0.00 1.34 0.00 0.00 72.50 72.21 2qx4 s THR 156 CO -0.30 -0.36 1.80 0.11 -0.54 0.00 0.00 174.62 175.34 2qx4 h LYS 157 N 2.38 0.52 -0.31 3.99 1.57 -1.91 0.14 116.57 122.95 2qx4 h LYS 157 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2qx4 h LYS 157 Cb 1.23 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2qx4 h LYS 157 CO 0.66 0.34 0.00 0.25 -0.57 0.00 0.00 179.45 180.13 2qx4 n THR 158 N -4.63 0.39 -2.13 -0.16 -2.24 -1.26 -4.68 114.28 99.57 2qx4 n THR 158 Ca 0.22 -0.69 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 2qx4 n THR 158 Cb 0.70 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 70.06 2qx4 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qx4 s GLY 159 N -1.60 1.62 0.23 3.38 0.00 0.47 -4.98 107.32 106.43 2qx4 s GLY 159 Ca 0.37 -0.57 -0.08 0.00 0.00 0.00 0.00 44.72 44.44 2qx4 s GLY 159 CO 0.31 -0.22 1.89 -0.39 0.00 0.00 0.00 173.10 174.69 2qx4 h VAL 160 N -0.47 1.18 -0.00 1.40 -1.51 -1.81 -2.59 116.25 112.44 2qx4 h VAL 160 Ca -0.45 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 2qx4 h VAL 160 Cb 1.27 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2qx4 h VAL 160 CO 0.62 0.20 -0.08 0.59 -1.23 0.00 0.00 177.57 177.68 2qx4 n ASN 161 N -4.53 0.37 -0.17 4.19 3.02 -0.48 -5.05 115.26 112.62 2qx4 n ASN 161 Ca 0.10 -0.55 0.02 0.00 -0.03 0.00 0.00 54.58 54.11 2qx4 n ASN 161 Cb 0.05 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.11 2qx4 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qx4 n GLY 162 N 1.25 -1.78 3.77 7.41 0.00 -0.98 -4.85 105.19 110.02 2qx4 n GLY 162 Ca 0.15 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 2qx4 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qx4 s ASP 163 N -4.29 6.63 0.41 1.61 2.15 -1.05 -2.20 116.67 119.93 2qx4 s ASP 163 Ca 0.00 2.80 0.12 0.00 0.43 0.00 0.00 52.55 55.90 2qx4 s ASP 163 Cb 0.00 -2.65 0.96 0.00 -0.30 0.00 0.00 42.92 40.92 2qx4 s ASP 163 CO 0.00 -0.65 1.95 0.77 -0.17 0.00 0.00 175.17 177.07 2qx4 h SER 164 N 3.37 0.46 0.25 -0.34 4.64 -1.83 -1.21 113.55 118.89 2qx4 h SER 164 Ca -0.49 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 2qx4 h SER 164 Cb 1.23 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2qx4 h SER 164 CO 0.66 0.27 -0.08 0.03 -0.87 0.00 0.00 176.83 176.84 2qx4 h ARG 165 N 0.51 0.00 -0.19 4.77 3.08 -1.89 -2.86 114.38 117.79 2qx4 h ARG 165 Ca 0.32 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.38 2qx4 h ARG 165 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2qx4 h ARG 165 CO -0.10 0.08 0.09 1.88 -1.07 0.00 0.00 179.97 180.85 2qx4 h TYR 166 N 0.00 0.18 0.00 3.04 0.05 -1.36 -2.21 116.97 116.67 2qx4 h TYR 166 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2qx4 h TYR 166 Cb 0.23 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2qx4 h TYR 166 CO 0.00 0.10 0.00 1.97 -1.05 0.00 0.00 178.16 179.18 2qx4 n PHE 167 N -5.00 0.25 0.40 4.88 1.16 -1.09 -2.66 117.46 115.39 2qx4 n PHE 167 Ca -0.03 0.09 0.13 0.00 -1.87 0.00 0.00 57.45 55.76 2qx4 n PHE 167 Cb 0.05 -0.64 0.31 0.00 -1.61 0.00 0.00 39.48 37.59 2qx4 n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2qx4 h LEU 168 N 0.00 0.00 -0.19 5.98 3.38 -1.36 -3.39 115.31 119.74 2qx4 h LEU 168 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2qx4 h LEU 168 Cb 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 2qx4 h LEU 168 CO 0.00 0.00 -0.31 -0.25 0.09 0.00 0.00 178.44 177.97 2qx4 h TRP 169 N 0.00 -0.86 -0.30 1.13 2.91 -1.47 0.37 115.95 117.73 2qx4 h TRP 169 Ca 0.00 0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 2qx4 h TRP 169 Cb 0.84 0.40 -0.02 0.00 -0.51 0.00 0.00 29.16 29.88 2qx4 h TRP 169 CO 0.00 -0.38 0.11 -1.35 -1.03 0.00 0.00 178.44 175.78 2qx4 h PRO 170 N -0.35 0.42 0.00 2.65 0.11 -1.83 0.04 132.00 133.04 2qx4 h PRO 170 Ca 0.11 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2qx4 h PRO 170 Cb 0.53 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2qx4 h PRO 170 CO -0.39 0.37 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.69 2qx4 h LEU 171 N 0.43 0.00 -0.05 2.35 3.38 -1.68 -1.43 115.31 118.31 2qx4 h LEU 171 Ca 0.11 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2qx4 h LEU 171 Cb 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qx4 h LEU 171 CO -0.01 0.67 -0.03 1.56 0.09 0.00 0.00 178.44 180.72 2qx4 h GLN 172 N -1.00 0.10 0.00 1.13 4.20 -0.28 -1.15 115.11 118.11 2qx4 h GLN 172 Ca -0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2qx4 h GLN 172 Cb 0.33 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2qx4 h GLN 172 CO -0.00 0.50 -0.51 1.25 -0.67 0.00 0.00 178.83 179.41 2qx4 h HIS 173 N -0.30 0.00 0.00 2.96 2.76 -1.18 0.53 115.15 119.92 2qx4 h HIS 173 Ca 0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 2qx4 h HIS 173 Cb 0.47 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2qx4 h HIS 173 CO 0.07 0.71 -0.10 0.78 -1.30 0.00 0.00 177.93 178.09 2qx4 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.05 -2.15 103.07 104.12 2qx4 h GLY 174 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2qx4 h GLY 174 CO -0.06 0.00 -0.10 2.41 0.00 0.00 0.00 176.54 178.78 2qx4 n THR 175 N -3.48 0.58 0.16 4.70 -1.04 -0.56 -4.50 114.28 110.14 2qx4 n THR 175 Ca -0.01 0.22 -0.14 0.00 -2.04 0.00 0.00 64.05 62.08 2qx4 n THR 175 Cb 0.25 -1.40 -0.08 0.00 -1.82 0.00 0.00 70.33 67.28 2qx4 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qx4 h LEU 176 N -0.10 -0.35 -1.03 -4.42 3.38 -1.22 -1.93 115.31 109.64 2qx4 h LEU 176 Ca 0.00 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2qx4 h LEU 176 Cb 0.10 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2qx4 h LEU 176 CO 0.00 -0.05 0.25 -0.74 0.09 0.00 0.00 178.44 177.99 2qx4 h HIS 177 N -0.65 0.95 -0.76 1.13 2.76 -0.94 -1.63 115.15 116.01 2qx4 h HIS 177 Ca -0.04 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.15 2qx4 h HIS 177 Cb 0.46 -0.29 -0.05 0.00 1.55 0.00 0.00 27.41 29.08 2qx4 h HIS 177 CO 0.00 0.73 0.50 0.35 -1.30 0.00 0.00 177.93 178.21 2qx4 h PHE 178 N 0.92 0.78 -0.04 5.26 3.57 -1.18 0.41 116.94 126.66 2qx4 h PHE 178 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2qx4 h PHE 178 Cb 0.19 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2qx4 h PHE 178 CO 0.01 0.39 0.00 0.00 -2.23 0.00 0.00 178.31 176.48 2qx4 n GLY 180 N 0.99 0.21 3.75 0.00 0.00 0.13 -0.60 105.19 109.67 2qx4 n GLY 180 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2qx4 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qx4 s PHE 181 N -2.05 2.41 -0.14 1.61 0.08 -0.79 -3.53 117.98 115.58 2qx4 s PHE 181 Ca 0.00 1.49 -0.16 0.00 0.12 0.00 0.00 56.93 58.38 2qx4 s PHE 181 Cb 0.00 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.86 2qx4 s PHE 181 CO 0.00 -2.30 0.37 0.15 -0.10 0.00 0.00 175.22 173.35 2qx4 s LYS 182 N -3.17 4.28 -0.25 0.44 -0.14 -0.19 -4.28 119.74 116.42 2qx4 s LYS 182 Ca 0.75 0.25 -0.10 0.00 -1.36 0.00 0.00 55.97 55.51 2qx4 s LYS 182 Cb -0.32 -3.42 -0.05 0.00 -1.68 0.00 0.00 37.83 32.35 2qx4 s LYS 182 CO 0.36 0.22 0.16 0.08 -0.76 0.00 0.00 175.35 175.41 2qx4 s VAL 183 N 0.49 5.27 0.52 3.17 1.01 -1.26 -1.07 120.40 128.53 2qx4 s VAL 183 Ca 0.21 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 2qx4 s VAL 183 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2qx4 s VAL 183 CO 0.07 0.32 0.91 -0.76 0.00 0.00 0.00 175.10 175.64 2qx4 s LEU 184 N 1.30 3.52 0.33 3.92 1.43 0.03 -0.19 118.68 129.02 2qx4 s LEU 184 Ca 0.07 1.28 -0.28 0.00 -1.03 0.00 0.00 54.13 54.17 2qx4 s LEU 184 Cb -0.14 -4.25 -0.12 0.00 0.03 0.00 0.00 46.19 41.70 2qx4 s LEU 184 CO 0.06 -0.65 1.32 0.00 0.23 0.00 0.00 176.35 177.31 2qx4 n ALA 185 N -2.10 1.35 -1.76 4.21 0.00 -1.26 -4.63 120.51 116.31 2qx4 n ALA 185 Ca 0.04 0.37 -0.36 0.00 0.00 0.00 0.00 53.44 53.48 2qx4 n ALA 185 Cb 0.54 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.74 2qx4 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qx4 s PRO 186 N -1.69 3.36 -0.37 0.00 0.04 -1.26 -4.73 135.00 130.35 2qx4 s PRO 186 Ca 0.57 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.28 2qx4 s PRO 186 Cb -0.57 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 31.82 2qx4 s PRO 186 CO 0.61 -0.88 0.25 -1.14 0.04 0.00 0.00 177.00 175.87 2qx4 s GLN 187 N -3.05 3.12 -0.24 4.56 2.00 0.16 -5.01 119.66 121.21 2qx4 s GLN 187 Ca 0.71 -0.90 -0.03 0.00 -2.00 0.00 0.00 55.36 53.14 2qx4 s GLN 187 Cb -0.29 -3.85 0.01 0.00 0.80 0.00 0.00 33.01 29.68 2qx4 s GLN 187 CO 0.34 -0.63 -0.05 0.42 -0.50 0.00 0.00 175.29 174.87 2qx4 s ILE 188 N 1.66 3.10 -0.47 -2.34 1.01 -1.26 -0.69 121.20 122.20 2qx4 s ILE 188 Ca 0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 2qx4 s ILE 188 Cb -0.18 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 39.88 2qx4 s ILE 188 CO 0.09 0.31 0.38 -0.44 0.00 0.00 0.00 174.94 175.28 2qx4 s SER 189 N 1.40 6.03 0.19 3.58 0.01 -0.13 -5.01 113.70 119.77 2qx4 s SER 189 Ca 0.03 -1.45 -0.30 0.00 1.31 0.00 0.00 55.95 55.54 2qx4 s SER 189 Cb -0.15 -2.14 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 2qx4 s SER 189 CO -0.04 -0.66 1.04 -0.36 0.41 0.00 0.00 173.24 173.63 2qx4 s PHE 190 N 1.58 3.71 -0.61 2.43 0.08 -1.26 -2.41 117.98 121.49 2qx4 s PHE 190 Ca 0.04 1.71 -0.16 0.00 0.12 0.00 0.00 56.93 58.64 2qx4 s PHE 190 Cb -0.25 -3.18 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 2qx4 s PHE 190 CO 0.05 -0.24 0.29 0.00 -0.10 0.00 0.00 175.22 175.22 2qx4 n ALA 191 N 2.15 -1.76 0.25 5.36 0.00 -0.81 -4.80 120.51 120.90 2qx4 n ALA 191 Ca 0.01 -0.29 0.08 0.00 0.00 0.00 0.00 53.44 53.24 2qx4 n ALA 191 Cb 0.47 -1.15 0.63 0.00 0.00 0.00 0.00 19.45 19.40 2qx4 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qx4 h PRO 192 N 0.22 0.03 -0.62 0.00 0.13 -1.79 -0.71 132.00 129.25 2qx4 h PRO 192 Ca -0.35 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2qx4 h PRO 192 Cb 0.69 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.78 2qx4 h PRO 192 CO 0.26 0.02 0.28 0.93 -0.23 0.00 0.00 178.00 179.26 2qx4 h GLU 193 N 0.03 0.88 0.18 0.86 5.08 -1.88 -3.02 114.58 116.71 2qx4 h GLU 193 Ca 0.01 -0.12 -0.25 0.00 -1.00 0.00 0.00 59.36 57.99 2qx4 h GLU 193 Cb -0.00 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 29.11 2qx4 h GLU 193 CO -0.00 0.70 -1.10 0.82 -1.00 0.00 0.00 179.01 178.43 2qx4 h ILE 194 N 0.88 1.40 -2.78 3.13 2.04 -1.63 -3.47 117.51 117.08 2qx4 h ILE 194 Ca 0.21 -2.58 -0.50 0.00 1.00 0.00 0.00 64.86 63.00 2qx4 h ILE 194 Cb 0.12 3.08 0.23 0.00 -0.74 0.00 0.00 36.82 39.51 2qx4 h ILE 194 CO -0.03 0.75 -0.96 0.00 0.00 0.00 0.00 178.15 177.92 2qx4 n ALA 195 N -2.69 -3.55 -2.18 1.87 0.00 -0.37 -4.99 120.51 108.59 2qx4 n ALA 195 Ca -0.15 -0.91 -0.26 0.00 0.00 0.00 0.00 53.44 52.12 2qx4 n ALA 195 Cb 0.94 -1.60 0.02 0.00 0.00 0.00 0.00 19.45 18.81 2qx4 n ALA 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qx4 s SER 196 N -1.83 5.77 0.30 0.00 1.04 -1.26 -4.85 113.70 112.87 2qx4 s SER 196 Ca 0.54 0.63 0.03 0.00 0.48 0.00 0.00 55.95 57.63 2qx4 s SER 196 Cb -0.16 -1.74 0.63 0.00 0.10 0.00 0.00 66.02 64.85 2qx4 s SER 196 CO 0.68 -0.88 1.84 -0.33 0.98 0.00 0.00 173.24 175.53 2qx4 h GLU 197 N 0.05 0.88 -0.24 4.02 4.39 -1.94 0.31 114.58 122.06 2qx4 h GLU 197 Ca -0.46 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.15 2qx4 h GLU 197 Cb 1.25 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2qx4 h GLU 197 CO 0.60 0.59 -0.02 1.49 -1.16 0.00 0.00 179.01 180.51 2qx4 h GLU 198 N 0.91 0.43 -0.75 2.33 4.81 -1.99 -0.96 114.58 119.36 2qx4 h GLU 198 Ca 0.49 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2qx4 h GLU 198 Cb 0.55 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2qx4 h GLU 198 CO -0.25 0.63 0.48 0.93 -0.73 0.00 0.00 179.01 180.07 2qx4 h GLU 199 N 0.20 1.00 -0.09 1.92 5.08 -1.59 0.14 114.58 121.24 2qx4 h GLU 199 Ca 0.07 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2qx4 h GLU 199 Cb 0.44 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2qx4 h GLU 199 CO 0.02 0.68 -0.04 0.00 -1.00 0.00 0.00 179.01 178.67 2qx4 h ARG 200 N 1.02 -0.04 -0.78 2.33 3.08 -0.22 0.86 114.38 120.64 2qx4 h ARG 200 Ca 0.27 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.36 2qx4 h ARG 200 Cb -0.09 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2qx4 h ARG 200 CO -0.06 -0.02 0.51 0.87 -1.07 0.00 0.00 179.97 180.20 2qx4 h LYS 201 N -0.04 0.91 -0.58 0.04 1.79 -0.68 -1.42 116.57 116.59 2qx4 h LYS 201 Ca 0.05 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 2qx4 h LYS 201 Cb 0.11 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 2qx4 h LYS 201 CO -0.12 0.60 0.02 0.78 -1.08 0.00 0.00 179.45 179.66 2qx4 h GLY 202 N 0.94 1.07 1.46 3.86 0.00 0.50 -1.36 103.07 109.54 2qx4 h GLY 202 Ca 0.31 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.77 2qx4 h GLY 202 CO -0.09 0.69 -0.37 -0.33 0.00 0.00 0.00 176.54 176.44 2qx4 h MET 203 N 0.92 0.60 -0.08 4.80 2.86 0.14 -0.82 114.93 123.34 2qx4 h MET 203 Ca 0.17 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2qx4 h MET 203 Cb 0.50 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2qx4 h MET 203 CO 0.02 0.88 0.00 0.28 1.06 0.00 0.00 176.91 179.15 2qx4 h VAL 204 N 0.50 1.25 -0.35 -2.22 2.07 -1.16 -2.56 116.25 113.78 2qx4 h VAL 204 Ca 0.05 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2qx4 h VAL 204 Cb 0.87 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2qx4 h VAL 204 CO 0.07 0.22 0.07 0.00 0.02 0.00 0.00 177.57 177.96 2qx4 h ALA 205 N 0.73 1.48 -0.46 1.67 0.00 -1.19 -1.16 119.26 120.34 2qx4 h ALA 205 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2qx4 h ALA 205 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qx4 h ALA 205 CO 0.00 0.38 0.02 0.00 0.00 0.00 0.00 179.25 179.65 2qx4 h ALA 206 N 1.59 1.18 -0.08 0.00 0.00 -0.99 0.23 119.26 121.20 2qx4 h ALA 206 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2qx4 h ALA 206 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qx4 h ALA 206 CO -0.00 0.54 -0.09 2.35 0.00 0.00 0.00 179.25 182.05 2qx4 h TRP 207 N 0.69 0.23 -0.62 0.00 -0.00 -1.00 -0.35 115.95 114.91 2qx4 h TRP 207 Ca 0.14 -0.07 0.05 0.00 -0.00 0.00 0.00 58.89 59.01 2qx4 h TRP 207 Cb 0.40 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 29.46 2qx4 h TRP 207 CO 0.02 0.65 0.35 1.03 -0.00 0.00 0.00 178.44 180.48 2qx4 h SER 208 N -0.25 0.52 -0.26 2.65 0.87 -1.06 -0.99 113.55 115.04 2qx4 h SER 208 Ca 0.01 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2qx4 h SER 208 Cb 0.61 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2qx4 h SER 208 CO 0.02 0.35 0.15 -0.61 -0.53 0.00 0.00 176.83 176.21 2qx4 h GLN 209 N 0.66 0.31 -0.92 2.24 5.75 -0.42 -2.44 115.11 120.28 2qx4 h GLN 209 Ca 0.27 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 2qx4 h GLN 209 Cb 0.14 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.57 2qx4 h GLN 209 CO -0.16 0.20 0.58 -0.09 -2.65 0.00 0.00 178.83 176.71 2qx4 h ARG 210 N 0.32 1.24 0.00 1.69 2.43 -0.55 -2.34 114.38 117.16 2qx4 h ARG 210 Ca 0.10 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qx4 h ARG 210 Cb -0.01 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.27 2qx4 h ARG 210 CO -0.04 0.85 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.11 2qx4 h LEU 211 N 1.26 0.00 -1.76 3.80 3.38 -0.72 -1.98 115.31 119.29 2qx4 h LEU 211 Ca 0.33 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.38 2qx4 h LEU 211 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2qx4 h LEU 211 CO -0.07 0.08 0.31 1.56 0.09 0.00 0.00 178.44 180.41 2qx4 h GLN 212 N 0.00 0.27 0.00 1.13 4.20 -1.15 -2.69 115.11 116.88 2qx4 h GLN 212 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2qx4 h GLN 212 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2qx4 h GLN 212 CO 0.01 0.18 -0.31 0.25 -0.67 0.00 0.00 178.83 178.30 2qx4 n THR 213 N -4.47 1.95 0.05 -0.54 -2.24 -0.77 -4.82 114.28 103.44 2qx4 n THR 213 Ca 0.07 -2.68 0.05 0.00 -2.27 0.00 0.00 64.05 59.22 2qx4 n THR 213 Cb 0.32 -0.18 0.47 0.00 -2.10 0.00 0.00 70.33 68.84 2qx4 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qx4 h ILE 214 N 0.93 1.07 0.00 2.28 6.09 -1.17 -2.27 117.51 124.44 2qx4 h ILE 214 Ca -0.01 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2qx4 h ILE 214 Cb 1.04 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.93 2qx4 h ILE 214 CO 0.00 0.08 0.00 0.79 -3.07 0.00 0.00 178.15 175.95 2qx4 n TRP 215 N -4.49 0.12 1.03 2.19 7.02 -1.26 -2.19 117.44 119.85 2qx4 n TRP 215 Ca 0.02 0.04 0.11 0.00 -1.02 0.00 0.00 57.50 56.65 2qx4 n TRP 215 Cb 0.08 -0.57 0.04 0.00 -2.42 0.00 0.00 31.31 28.44 2qx4 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qx4 n LYS 216 N -1.60 0.39 -2.18 -0.99 5.02 -0.86 -4.97 118.16 112.97 2qx4 n LYS 216 Ca 0.04 -0.30 -0.34 0.00 -2.02 0.00 0.00 58.31 55.69 2qx4 n LYS 216 Cb 0.23 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2qx4 n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qx4 s GLU 217 N -2.81 3.36 0.07 1.97 2.02 -0.93 -5.06 118.70 117.31 2qx4 s GLU 217 Ca 0.13 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.52 2qx4 s GLU 217 Cb 0.17 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 2qx4 s GLU 217 CO 0.72 -0.80 0.21 -1.21 0.02 0.00 0.00 175.26 174.20 2qx4 s GLU 218 N -3.64 3.42 0.86 1.61 0.41 -1.26 -5.10 118.70 115.00 2qx4 s GLU 218 Ca 0.68 -0.46 -0.12 0.00 -0.41 0.00 0.00 54.97 54.66 2qx4 s GLU 218 Cb -0.19 -3.03 0.11 0.00 -1.78 0.00 0.00 34.13 29.24 2qx4 s GLU 218 CO 0.31 0.60 1.12 -1.25 -0.49 0.00 0.00 175.26 175.55 2qx4 s PRO 219 N -2.55 1.53 0.57 0.39 0.04 -1.26 -4.68 135.00 129.05 2qx4 s PRO 219 Ca 0.35 0.44 -0.08 0.00 0.04 0.00 0.00 61.00 61.74 2qx4 s PRO 219 Cb -0.13 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2qx4 s PRO 219 CO 0.28 -1.96 0.93 0.96 0.04 0.00 0.00 177.00 177.26 2qx4 s ILE 220 N -3.23 4.62 -0.60 0.56 -4.36 0.73 -4.95 121.20 113.98 2qx4 s ILE 220 Ca 0.63 0.53 -0.25 0.00 -0.26 0.00 0.00 60.65 61.29 2qx4 s ILE 220 Cb -0.15 -3.81 0.04 0.00 1.25 0.00 0.00 42.46 39.79 2qx4 s ILE 220 CO 0.54 -0.95 1.06 -2.16 0.24 0.00 0.00 174.94 173.66 2qx4 s PRO 221 N -5.01 3.33 -1.25 0.37 0.04 -1.26 -4.72 135.00 126.50 2qx4 s PRO 221 Ca 0.52 -0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.16 2qx4 s PRO 221 Cb -0.11 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.36 2qx4 s PRO 221 CO 0.50 -1.68 1.80 0.00 0.04 0.00 0.00 177.00 177.66 2qx4 s THR 223 N 6.69 0.85 0.24 0.00 -4.23 -1.26 -4.96 115.64 112.97 2qx4 s THR 223 Ca 0.59 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 2qx4 s THR 223 Cb 0.02 -2.71 0.23 0.00 1.34 0.00 0.00 72.50 71.39 2qx4 s THR 223 CO 0.09 0.00 1.89 0.00 -0.54 0.00 0.00 174.62 176.06 2qx4 h ALA 224 N 2.25 1.22 -0.39 3.99 0.00 -1.98 -2.33 119.26 122.02 2qx4 h ALA 224 Ca -0.39 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2qx4 h ALA 224 Cb 1.25 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2qx4 h ALA 224 CO 0.65 0.67 0.20 1.25 0.00 0.00 0.00 179.25 182.02 2qx4 h HIS 225 N 1.32 0.54 -0.67 0.00 -0.00 -1.93 0.33 115.15 114.73 2qx4 h HIS 225 Ca 0.34 -0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.73 2qx4 h HIS 225 Cb -0.07 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 27.13 2qx4 h HIS 225 CO 0.01 0.44 0.42 2.35 -0.00 0.00 0.00 177.93 181.14 2qx4 h TRP 226 N 0.49 0.78 -0.00 5.26 7.01 -1.74 0.34 115.95 128.08 2qx4 h TRP 226 Ca 0.14 0.02 -0.25 0.00 2.11 0.00 0.00 58.89 60.91 2qx4 h TRP 226 Cb 0.08 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 26.90 2qx4 h TRP 226 CO -0.02 0.44 -1.00 0.45 -2.79 0.00 0.00 178.44 175.52 2qx4 h HIS 227 N 0.81 0.87 0.00 2.65 3.86 -1.02 -3.40 115.15 118.92 2qx4 h HIS 227 Ca 0.27 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 2qx4 h HIS 227 Cb 0.03 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.40 2qx4 h HIS 227 CO -0.05 1.30 -1.11 1.19 0.86 0.00 0.00 177.93 180.13 2qx4 n PHE 228 N -3.81 0.00 -1.96 2.45 3.72 0.11 -4.08 117.46 113.89 2qx4 n PHE 228 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2qx4 n PHE 228 Cb 0.86 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 2qx4 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qx4 n GLY 229 N 2.09 -1.82 2.29 1.37 0.00 0.12 -5.01 105.19 104.23 2qx4 n GLY 229 Ca -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2qx4 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14