#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqy s THR 15 N 0.00 1.12 -1.84 1.69 -4.23 -1.26 -4.14 115.64 106.98 3gqy s THR 15 Ca 0.00 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 3gqy s THR 15 Cb 0.00 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.94 3gqy s THR 15 CO 0.00 -0.70 0.00 0.00 -0.54 0.00 0.00 174.62 173.38 3gqy n GLN 16 N -0.22 -1.63 -3.31 3.99 6.02 0.55 -1.72 117.38 121.07 3gqy n GLN 16 Ca -0.10 1.03 -0.23 0.00 -0.01 0.00 0.00 57.00 57.69 3gqy n GLN 16 Cb 0.61 -5.56 0.01 0.00 1.02 0.00 0.00 30.24 26.31 3gqy n GLN 16 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3gqy n GLN 17 N -2.68 -3.88 0.21 -1.09 1.13 -1.26 -4.74 117.38 105.06 3gqy n GLN 17 Ca -0.22 0.59 0.06 0.00 -1.94 0.00 0.00 57.00 55.49 3gqy n GLN 17 Cb 0.66 -5.34 0.47 0.00 0.11 0.00 0.00 30.24 26.13 3gqy n GLN 17 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3gqy h LEU 18 N -1.13 0.00 -0.02 1.08 3.38 -1.66 0.61 115.31 117.57 3gqy h LEU 18 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3gqy h LEU 18 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3gqy h LEU 18 CO 0.55 0.29 0.00 -0.74 0.09 0.00 0.00 178.44 178.63 3gqy h HIS 19 N 0.00 0.03 -0.12 1.13 2.76 -1.89 -2.55 115.15 114.51 3gqy h HIS 19 Ca -0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3gqy h HIS 19 Cb 0.59 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 3gqy h HIS 19 CO 0.00 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.91 3gqy h ALA 20 N 0.75 1.78 -0.47 5.26 0.00 -1.68 -2.70 119.26 122.21 3gqy h ALA 20 Ca 0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3gqy h ALA 20 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gqy h ALA 20 CO 0.00 0.17 0.31 0.00 0.00 0.00 0.00 179.25 179.73 3gqy h ALA 21 N 1.84 1.86 -0.11 0.00 0.00 -0.47 -2.67 119.26 119.70 3gqy h ALA 21 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gqy h ALA 21 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gqy h ALA 21 CO 0.00 0.08 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 3gqy n MET 22 N -4.48 1.84 -1.74 0.00 2.81 -1.02 -4.70 117.12 109.83 3gqy n MET 22 Ca 0.06 -1.25 -0.40 0.00 -1.81 0.00 0.00 57.70 54.30 3gqy n MET 22 Cb 0.19 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.28 3gqy n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gqy n ALA 23 N 0.49 1.73 0.50 3.04 0.00 -1.01 -4.93 120.51 120.33 3gqy n ALA 23 Ca 0.17 0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.94 3gqy n ALA 23 Cb 0.39 -2.35 0.17 0.00 0.00 0.00 0.00 19.45 17.66 3gqy n ALA 23 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gqy h ASP 24 N 1.95 0.00 -3.68 0.00 3.32 -1.92 -3.46 116.42 112.63 3gqy h ASP 24 Ca -0.50 -0.16 -0.43 0.00 0.02 0.00 0.00 57.03 55.96 3gqy h ASP 24 Cb 1.29 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.67 3gqy h ASP 24 CO 0.59 0.08 -0.75 0.42 -1.72 0.00 0.00 179.24 177.86 3gqy s THR 25 N -3.19 1.51 0.18 0.35 -4.23 -1.26 -5.05 115.64 103.96 3gqy s THR 25 Ca 0.06 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.50 3gqy s THR 25 Cb 0.12 -1.80 0.09 0.00 1.34 0.00 0.00 72.50 72.25 3gqy s THR 25 CO 0.72 -0.52 1.71 0.15 -0.54 0.00 0.00 174.62 176.14 3gqy h PHE 26 N 3.04 1.08 -0.16 3.99 3.04 -1.99 -0.34 116.94 125.60 3gqy h PHE 26 Ca -0.39 -0.12 0.04 0.00 3.98 0.00 0.00 57.97 61.48 3gqy h PHE 26 Cb 1.20 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.37 3gqy h PHE 26 CO 0.68 0.88 -0.09 1.25 -2.02 0.00 0.00 178.31 179.01 3gqy h LEU 27 N 0.96 -0.31 -1.21 0.59 5.85 -1.99 0.55 115.31 119.74 3gqy h LEU 27 Ca 0.21 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 3gqy h LEU 27 Cb 0.34 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3gqy h LEU 27 CO -0.00 -0.13 -0.15 -0.08 -0.34 0.00 0.00 178.44 177.74 3gqy h GLU 28 N -0.09 0.36 -0.27 1.25 4.57 -1.94 -1.17 114.58 117.29 3gqy h GLU 28 Ca 0.09 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3gqy h GLU 28 Cb 0.23 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 3gqy h GLU 28 CO -0.22 0.51 0.08 1.25 -1.18 0.00 0.00 179.01 179.46 3gqy h HIS 29 N 0.33 0.14 -0.22 0.92 -0.00 -0.21 -1.77 115.15 114.35 3gqy h HIS 29 Ca 0.06 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.48 3gqy h HIS 29 Cb 0.47 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.83 3gqy h HIS 29 CO 0.01 0.06 0.03 0.52 -0.00 0.00 0.00 177.93 178.55 3gqy h MET 30 N 0.19 0.10 -0.21 5.26 2.07 -0.42 -2.51 114.93 119.42 3gqy h MET 30 Ca 0.12 -0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.81 3gqy h MET 30 Cb 0.10 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.80 3gqy h MET 30 CO -0.14 0.07 0.23 0.00 1.07 0.00 0.00 176.91 178.14 3gqy n ARG 32 N -3.80 1.23 -1.69 0.00 1.74 -0.70 -4.94 116.66 108.50 3gqy n ARG 32 Ca 0.02 -0.95 -0.44 0.00 -0.77 0.00 0.00 57.85 55.71 3gqy n ARG 32 Cb 0.36 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3gqy n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gqy n LEU 33 N -0.05 3.70 -3.89 0.55 4.77 -0.84 -4.31 117.00 116.93 3gqy n LEU 33 Ca 0.11 1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 3gqy n LEU 33 Cb 0.45 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 39.87 3gqy n LEU 33 CO 0.26 0.02 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.31 3gqy s ASP 34 N 1.59 3.49 0.01 -1.43 3.68 -1.26 -5.00 116.67 117.75 3gqy s ASP 34 Ca 0.79 -1.01 0.08 0.00 2.13 0.00 0.00 52.55 54.54 3gqy s ASP 34 Cb -0.56 -1.02 0.36 0.00 -1.45 0.00 0.00 42.92 40.24 3gqy s ASP 34 CO 0.36 -0.24 1.27 2.30 0.13 0.00 0.00 175.17 178.99 3gqy n ILE 35 N 4.78 1.44 -0.41 4.11 -5.35 -1.26 -1.06 119.36 121.62 3gqy n ILE 35 Ca -0.11 0.37 0.08 0.00 -0.27 0.00 0.00 62.75 62.82 3gqy n ILE 35 Cb 0.45 -1.24 0.25 0.00 -1.74 0.00 0.00 39.64 37.36 3gqy n ILE 35 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3gqy n ASP 36 N -1.53 3.68 -4.28 7.28 10.43 -1.26 -4.83 116.55 126.04 3gqy n ASP 36 Ca 0.02 -2.20 -0.45 0.00 2.57 0.00 0.00 54.79 54.73 3gqy n ASP 36 Cb 0.09 -0.41 -0.06 0.00 1.84 0.00 0.00 41.12 42.59 3gqy n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3gqy s SER 37 N -1.08 6.09 0.38 -2.24 0.15 -0.22 -4.92 113.70 111.86 3gqy s SER 37 Ca 0.38 -1.86 -0.25 0.00 0.70 0.00 0.00 55.95 54.92 3gqy s SER 37 Cb 0.22 -2.16 -0.09 0.00 -1.71 0.00 0.00 66.02 62.28 3gqy s SER 37 CO 0.22 -0.81 1.06 -2.84 1.20 0.00 0.00 173.24 172.07 3gqy s PRO 38 N 1.48 4.22 0.93 5.44 0.02 -1.26 -4.22 135.00 141.61 3gqy s PRO 38 Ca 0.04 1.56 -0.12 0.00 0.02 0.00 0.00 61.00 62.50 3gqy s PRO 38 Cb -0.28 -2.63 0.15 0.00 0.02 0.00 0.00 34.50 31.76 3gqy s PRO 38 CO 0.02 -0.10 1.10 -2.14 -0.33 0.00 0.00 177.00 175.54 3gqy s PRO 39 N -2.35 1.00 1.16 5.54 0.02 -1.26 -0.33 135.00 138.76 3gqy s PRO 39 Ca 0.56 0.64 -0.17 0.00 0.02 0.00 0.00 61.00 62.05 3gqy s PRO 39 Cb -0.24 -1.79 0.26 0.00 0.02 0.00 0.00 34.50 32.76 3gqy s PRO 39 CO 0.30 -2.37 1.09 0.96 -0.33 0.00 0.00 177.00 176.64 3gqy s ILE 40 N -2.99 1.72 0.10 2.83 -4.36 -1.26 -4.78 121.20 112.46 3gqy s ILE 40 Ca 0.64 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.89 3gqy s ILE 40 Cb -0.18 -2.44 -0.12 0.00 1.25 0.00 0.00 42.46 40.98 3gqy s ILE 40 CO 0.57 0.00 1.36 0.74 0.24 0.00 0.00 174.94 177.85 3gqy h THR 41 N -2.44 1.30 -3.69 8.37 2.02 -1.93 -3.46 112.91 113.08 3gqy h THR 41 Ca -0.49 -1.72 -0.52 0.00 0.77 0.00 0.00 66.41 64.45 3gqy h THR 41 Cb 1.31 1.78 0.05 0.00 -1.74 0.00 0.00 68.15 69.54 3gqy h THR 41 CO 0.42 0.55 0.62 0.00 0.37 0.00 0.00 175.52 177.48 3gqy s ALA 42 N -4.04 3.50 -0.18 6.16 0.00 -1.26 -5.02 121.76 120.92 3gqy s ALA 42 Ca -0.11 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3gqy s ALA 42 Cb 0.09 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.76 3gqy s ALA 42 CO 0.87 -0.53 -0.16 0.50 0.00 0.00 0.00 175.76 176.44 3gqy s ARG 43 N -1.13 3.12 -0.03 0.00 3.00 -1.26 -4.91 118.95 117.73 3gqy s ARG 43 Ca 0.51 -0.78 0.10 0.00 -1.00 0.00 0.00 55.73 54.57 3gqy s ARG 43 Cb -0.37 -2.65 -0.23 0.00 0.00 0.00 0.00 34.95 31.69 3gqy s ARG 43 CO 0.46 -0.14 0.71 -0.91 0.00 0.00 0.00 175.30 175.42 3gqy h ASN 44 N 7.77 0.04 -3.12 -2.12 2.35 -1.91 -3.46 115.58 115.12 3gqy h ASN 44 Ca -0.41 -0.08 -0.57 0.00 -0.55 0.00 0.00 56.30 54.69 3gqy h ASN 44 Cb 1.16 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.47 3gqy h ASN 44 CO 0.61 1.07 0.74 -0.89 -1.65 0.00 0.00 177.43 177.31 3gqy s THR 45 N -2.61 4.66 0.38 2.81 2.01 -1.26 -0.83 115.64 120.81 3gqy s THR 45 Ca -0.05 1.98 -0.27 0.00 0.31 0.00 0.00 61.69 63.65 3gqy s THR 45 Cb 0.08 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 3gqy s THR 45 CO 0.82 -0.12 1.38 -0.83 -0.69 0.00 0.00 174.62 175.19 3gqy s GLY 46 N 1.24 2.95 -0.24 4.40 0.00 -0.66 -4.85 107.32 110.17 3gqy s GLY 46 Ca 0.47 1.39 -0.03 0.00 0.00 0.00 0.00 44.72 46.54 3gqy s GLY 46 CO 0.11 2.03 -0.04 -0.42 0.00 0.00 0.00 173.10 174.78 3gqy s ILE 47 N -1.17 3.20 -0.25 0.90 1.01 -1.26 -1.00 121.20 122.63 3gqy s ILE 47 Ca 0.54 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3gqy s ILE 47 Cb -0.42 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 3gqy s ILE 47 CO 0.56 0.30 0.16 -0.63 0.00 0.00 0.00 174.94 175.33 3gqy s ILE 48 N 1.41 5.30 -0.16 2.92 1.01 -0.25 -1.24 121.20 130.19 3gqy s ILE 48 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.85 3gqy s ILE 48 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.83 3gqy s ILE 48 CO -0.03 0.32 -0.16 0.00 0.00 0.00 0.00 174.94 175.07 3gqy s THR 50 N 0.90 4.06 -0.03 0.00 2.01 -0.53 -0.26 115.64 121.80 3gqy s THR 50 Ca -0.04 1.42 -0.10 0.00 0.31 0.00 0.00 61.69 63.28 3gqy s THR 50 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3gqy s THR 50 CO -0.02 0.01 0.28 -0.63 -0.69 0.00 0.00 174.62 173.57 3gqy s ILE 51 N 2.18 5.26 0.00 1.82 -1.09 -0.33 -2.54 121.20 126.51 3gqy s ILE 51 Ca 0.59 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 3gqy s ILE 51 Cb -0.27 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 3gqy s ILE 51 CO 0.24 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 3gqy n GLY 52 N 1.59 2.12 0.43 6.18 0.00 -1.23 -4.74 105.19 109.54 3gqy n GLY 52 Ca -0.15 -0.86 0.24 0.00 0.00 0.00 0.00 46.02 45.25 3gqy n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gqy h PRO 53 N 0.00 0.31 0.00 1.61 0.11 -1.75 -0.17 132.00 132.11 3gqy h PRO 53 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3gqy h PRO 53 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3gqy h PRO 53 CO 0.00 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.00 3gqy h ALA 54 N 1.59 1.00 0.00 -0.75 0.00 -1.35 -3.37 119.26 116.38 3gqy h ALA 54 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3gqy h ALA 54 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gqy h ALA 54 CO -0.21 0.00 -0.19 -1.13 0.00 0.00 0.00 179.25 177.72 3gqy n SER 55 N -2.70 0.15 0.10 0.00 3.41 -0.20 -4.88 113.62 109.49 3gqy n SER 55 Ca 0.03 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3gqy n SER 55 Cb 0.40 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3gqy n SER 55 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gqy h ARG 56 N 0.00 0.00 -7.05 4.33 2.43 -1.38 -3.37 114.38 109.34 3gqy h ARG 56 Ca 0.00 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.68 3gqy h ARG 56 Cb 1.13 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.73 3gqy h ARG 56 CO 0.00 0.54 0.42 -1.54 -1.51 0.00 0.00 179.97 177.88 3gqy s SER 57 N -6.35 6.14 0.26 -3.80 1.04 -1.26 -4.81 113.70 104.92 3gqy s SER 57 Ca 0.02 2.10 -0.01 0.00 0.48 0.00 0.00 55.95 58.53 3gqy s SER 57 Cb 0.08 -2.58 0.49 0.00 0.10 0.00 0.00 66.02 64.11 3gqy s SER 57 CO 0.77 -0.93 1.80 0.58 0.98 0.00 0.00 173.24 176.45 3gqy h VAL 58 N 1.57 0.86 -0.20 5.02 2.07 -1.90 -0.44 116.25 123.23 3gqy h VAL 58 Ca -0.49 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3gqy h VAL 58 Cb 1.24 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3gqy h VAL 58 CO 0.59 0.15 -0.03 -0.08 0.02 0.00 0.00 177.57 178.22 3gqy h GLU 59 N 0.81 0.03 -0.18 1.57 4.81 -1.95 -1.46 114.58 118.20 3gqy h GLU 59 Ca 0.45 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.49 3gqy h GLU 59 Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3gqy h GLU 59 CO -0.29 0.02 -0.66 1.15 -0.73 0.00 0.00 179.01 178.50 3gqy h THR 60 N 0.03 1.31 -0.69 0.32 2.02 -1.77 -3.11 112.91 111.01 3gqy h THR 60 Ca 0.09 -1.91 -0.01 0.00 0.77 0.00 0.00 66.41 65.36 3gqy h THR 60 Cb 0.13 1.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3gqy h THR 60 CO -0.18 0.60 0.38 -0.07 0.37 0.00 0.00 175.52 176.62 3gqy h LEU 61 N 0.49 0.85 -0.99 2.58 3.38 -0.89 0.88 115.31 121.61 3gqy h LEU 61 Ca -0.02 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gqy h LEU 61 Cb 1.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 3gqy h LEU 61 CO 0.13 0.68 0.65 0.11 0.09 0.00 0.00 178.44 180.10 3gqy h LYS 62 N 0.96 1.24 -0.06 1.13 1.57 -1.21 -0.98 116.57 119.22 3gqy h LYS 62 Ca 0.24 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.78 3gqy h LYS 62 Cb 0.02 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3gqy h LYS 62 CO -0.04 0.82 -0.69 0.93 -0.57 0.00 0.00 179.45 179.90 3gqy h GLU 63 N 1.27 0.29 -0.49 3.15 4.39 -1.12 -1.95 114.58 120.13 3gqy h GLU 63 Ca 0.38 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3gqy h GLU 63 Cb -0.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3gqy h GLU 63 CO -0.11 0.87 0.30 0.52 -1.16 0.00 0.00 179.01 179.43 3gqy h MET 64 N 0.20 0.65 -0.20 2.33 2.86 -0.39 0.14 114.93 120.53 3gqy h MET 64 Ca -0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3gqy h MET 64 Cb 1.24 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3gqy h MET 64 CO 0.11 0.47 0.11 0.82 1.06 0.00 0.00 176.91 179.47 3gqy h ILE 65 N 0.65 1.12 -0.07 -1.22 2.04 -1.09 0.16 117.51 119.10 3gqy h ILE 65 Ca 0.18 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 3gqy h ILE 65 Cb -0.03 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3gqy h ILE 65 CO -0.03 0.12 -0.05 0.11 0.00 0.00 0.00 178.15 178.29 3gqy h LYS 66 N 0.21 0.10 0.00 2.37 1.57 -1.04 -2.50 116.57 117.29 3gqy h LYS 66 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gqy h LYS 66 Cb 0.09 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gqy h LYS 66 CO -0.01 0.16 -0.09 0.77 -0.57 0.00 0.00 179.45 179.72 3gqy h SER 67 N 0.10 0.00 0.00 0.86 0.02 -0.26 -3.47 113.55 110.80 3gqy h SER 67 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3gqy h SER 67 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3gqy h SER 67 CO 0.01 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 3gqy n GLY 68 N 1.19 -0.08 3.70 -3.77 0.00 -0.53 -4.25 105.19 101.45 3gqy n GLY 68 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3gqy n GLY 68 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3gqy n MET 69 N 0.00 2.63 -0.06 1.61 0.00 -0.07 -4.55 117.12 116.69 3gqy n MET 69 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 57.70 58.60 3gqy n MET 69 Cb 0.00 -2.80 -0.09 0.00 0.00 0.00 0.00 33.22 30.33 3gqy n MET 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3gqy n ASN 70 N 4.59 2.16 -3.90 6.12 5.03 -0.37 -4.65 115.26 124.23 3gqy n ASN 70 Ca 0.17 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.43 3gqy n ASN 70 Cb 0.34 0.80 -0.16 0.00 -1.02 0.00 0.00 39.78 39.74 3gqy n ASN 70 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3gqy s VAL 71 N -2.29 0.49 -0.29 2.41 1.01 -1.04 -1.36 120.40 119.33 3gqy s VAL 71 Ca -0.06 -0.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 3gqy s VAL 71 Cb 0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 3gqy s VAL 71 CO 0.47 0.20 0.44 0.00 0.00 0.00 0.00 175.10 176.21 3gqy s ALA 72 N 0.76 3.54 -0.16 5.51 0.00 -0.01 -0.37 121.76 131.03 3gqy s ALA 72 Ca -0.10 -0.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 3gqy s ALA 72 Cb -0.13 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 3gqy s ALA 72 CO 0.00 -0.84 0.24 0.50 0.00 0.00 0.00 175.76 175.66 3gqy s ARG 73 N 2.19 4.17 -0.23 0.00 3.52 0.64 -0.72 118.95 128.53 3gqy s ARG 73 Ca 0.17 0.00 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 3gqy s ARG 73 Cb -0.16 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 3gqy s ARG 73 CO 0.11 0.31 0.02 -0.51 -0.81 0.00 0.00 175.30 174.41 3gqy s LEU 74 N 0.29 3.21 -0.47 -0.88 1.43 0.15 -1.18 118.68 121.23 3gqy s LEU 74 Ca 0.14 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 3gqy s LEU 74 Cb -0.12 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3gqy s LEU 74 CO 0.03 -0.02 0.71 0.21 0.23 0.00 0.00 176.35 177.51 3gqy s ASN 75 N 1.49 6.32 0.00 2.29 3.84 -1.26 -0.79 114.94 126.82 3gqy s ASN 75 Ca 0.06 -0.42 0.15 0.00 0.21 0.00 0.00 52.86 52.86 3gqy s ASN 75 Cb -0.15 -2.34 0.71 0.00 -0.55 0.00 0.00 41.25 38.93 3gqy s ASN 75 CO 0.01 -0.90 1.49 0.49 -2.79 0.00 0.00 177.10 175.40 3gqy n PHE 76 N 6.50 0.13 0.23 0.43 3.01 0.11 -2.84 117.46 125.03 3gqy n PHE 76 Ca -0.01 -0.07 0.13 0.00 1.01 0.00 0.00 57.45 58.51 3gqy n PHE 76 Cb 0.47 0.00 0.76 0.00 -0.01 0.00 0.00 39.48 40.70 3gqy n PHE 76 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3gqy h SER 77 N 1.01 0.00 -4.26 4.37 0.02 -1.82 -3.39 113.55 109.48 3gqy h SER 77 Ca 0.00 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 3gqy h SER 77 Cb 0.22 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.61 3gqy h SER 77 CO 0.00 0.00 -0.71 -1.00 -1.14 0.00 0.00 176.83 173.98 3gqy s HIS 78 N -4.87 1.10 0.00 3.45 3.76 -1.13 -5.03 115.29 112.57 3gqy s HIS 78 Ca -0.05 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 3gqy s HIS 78 Cb 0.16 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.27 3gqy s HIS 78 CO 0.62 -0.01 0.00 0.41 -0.85 0.00 0.00 174.74 174.91 3gqy n GLY 79 N -0.03 -0.07 3.94 -2.22 0.00 -1.26 -4.86 105.19 100.68 3gqy n GLY 79 Ca -0.12 -1.52 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 3gqy n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqy s THR 80 N -2.70 2.74 0.27 2.61 -4.23 -1.26 -4.93 115.64 108.14 3gqy s THR 80 Ca 0.00 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.14 3gqy s THR 80 Cb 0.00 -3.11 0.23 0.00 1.34 0.00 0.00 72.50 70.96 3gqy s THR 80 CO 0.00 -0.11 1.91 0.45 -0.54 0.00 0.00 174.62 176.33 3gqy h HIS 81 N -0.29 1.13 -0.30 3.99 -0.00 -1.99 -1.75 115.15 115.94 3gqy h HIS 81 Ca -0.44 -0.00 0.04 0.00 -0.00 0.00 0.00 60.37 59.97 3gqy h HIS 81 Cb 1.30 -0.37 -0.04 0.00 -0.00 0.00 0.00 27.41 28.30 3gqy h HIS 81 CO 0.38 0.75 0.05 1.49 -0.00 0.00 0.00 177.93 180.59 3gqy h GLU 82 N 1.18 0.14 0.06 2.45 4.81 -1.99 0.22 114.58 121.45 3gqy h GLU 82 Ca 0.31 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3gqy h GLU 82 Cb -0.04 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3gqy h GLU 82 CO -0.06 0.10 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.28 3gqy h TYR 83 N 0.15 -0.30 -0.36 0.92 3.20 -1.82 -2.05 116.97 116.72 3gqy h TYR 83 Ca 0.14 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3gqy h TYR 83 Cb 0.16 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3gqy h TYR 83 CO -0.18 -0.18 -0.17 0.45 -1.64 0.00 0.00 178.16 176.45 3gqy h HIS 84 N -0.23 0.73 -0.96 -3.82 3.86 -1.17 -1.09 115.15 112.48 3gqy h HIS 84 Ca 0.02 -0.14 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3gqy h HIS 84 Cb 0.25 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 3gqy h HIS 84 CO -0.15 0.79 0.62 0.00 0.86 0.00 0.00 177.93 180.05 3gqy h ALA 85 N 1.22 1.22 -0.30 2.45 0.00 -0.41 0.38 119.26 123.81 3gqy h ALA 85 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3gqy h ALA 85 Cb 0.62 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gqy h ALA 85 CO 0.04 0.63 -0.27 1.49 0.00 0.00 0.00 179.25 181.14 3gqy h GLU 86 N 1.31 0.72 -0.35 0.00 4.81 -0.97 -0.51 114.58 119.57 3gqy h GLU 86 Ca 0.35 -0.37 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 3gqy h GLU 86 Cb -0.13 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 3gqy h GLU 86 CO -0.07 0.98 0.07 1.15 -0.73 0.00 0.00 179.01 180.40 3gqy h THR 87 N 0.47 0.82 -0.39 0.32 2.02 -0.84 -0.05 112.91 115.26 3gqy h THR 87 Ca 0.05 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.19 3gqy h THR 87 Cb 0.83 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3gqy h THR 87 CO 0.07 0.03 0.23 0.40 0.37 0.00 0.00 175.52 176.62 3gqy h ILE 88 N 0.19 1.04 -0.62 3.11 2.04 -0.81 -0.18 117.51 122.29 3gqy h ILE 88 Ca 0.17 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3gqy h ILE 88 Cb 0.19 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3gqy h ILE 88 CO -0.22 0.09 0.29 0.50 0.00 0.00 0.00 178.15 178.81 3gqy h LYS 89 N 0.47 0.52 -0.44 2.37 3.64 -0.66 -1.74 116.57 120.72 3gqy h LYS 89 Ca 0.16 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3gqy h LYS 89 Cb 0.01 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3gqy h LYS 89 CO -0.07 0.34 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.44 3gqy h ASN 90 N 0.53 0.77 -0.30 4.20 2.35 -0.21 -0.68 115.58 122.25 3gqy h ASN 90 Ca 0.29 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3gqy h ASN 90 Cb 0.27 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3gqy h ASN 90 CO -0.23 0.89 0.19 0.58 -1.65 0.00 0.00 177.43 177.22 3gqy h VAL 91 N 0.71 1.08 -0.34 2.81 2.07 -0.51 -0.41 116.25 121.66 3gqy h VAL 91 Ca 0.12 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3gqy h VAL 91 Cb 0.57 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3gqy h VAL 91 CO 0.04 0.08 -0.28 0.03 0.02 0.00 0.00 177.57 177.46 3gqy h ARG 92 N 0.40 0.70 -0.19 1.57 3.08 -1.15 0.12 114.38 118.91 3gqy h ARG 92 Ca 0.11 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3gqy h ARG 92 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3gqy h ARG 92 CO -0.02 0.90 0.10 1.15 -1.07 0.00 0.00 179.97 181.03 3gqy h THR 93 N 0.61 1.11 -0.33 2.04 2.02 -0.90 0.17 112.91 117.63 3gqy h THR 93 Ca 0.08 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3gqy h THR 93 Cb 0.78 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3gqy h THR 93 CO 0.06 0.11 0.20 0.00 0.37 0.00 0.00 175.52 176.26 3gqy h ALA 94 N 0.99 0.42 -0.09 6.16 0.00 -0.87 -1.87 119.26 124.00 3gqy h ALA 94 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gqy h ALA 94 Cb 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gqy h ALA 94 CO -0.01 -0.09 0.03 1.15 0.00 0.00 0.00 179.25 180.33 3gqy h THR 95 N 0.42 1.18 0.00 0.00 2.02 -0.62 -2.85 112.91 113.07 3gqy h THR 95 Ca 0.12 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.75 3gqy h THR 95 Cb 0.00 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3gqy h THR 95 CO -0.02 0.16 0.00 -0.62 0.37 0.00 0.00 175.52 175.40 3gqy n GLU 96 N -4.90 0.02 0.32 6.66 -0.58 0.03 -2.56 120.64 119.63 3gqy n GLU 96 Ca -0.06 0.20 0.20 0.00 -0.42 0.00 0.00 57.16 57.07 3gqy n GLU 96 Cb 0.14 -1.54 1.05 0.00 -0.57 0.00 0.00 31.44 30.52 3gqy n GLU 96 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3gqy h SER 97 N 0.00 0.00 -0.47 1.62 4.64 -1.08 -2.09 113.55 116.17 3gqy h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gqy h SER 97 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3gqy h SER 97 CO 0.00 0.01 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 3gqy n PHE 98 N -3.31 0.61 0.41 4.77 3.72 -1.06 -4.59 117.46 118.02 3gqy n PHE 98 Ca -0.02 -0.31 0.13 0.00 -0.05 0.00 0.00 57.45 57.20 3gqy n PHE 98 Cb 0.12 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.07 3gqy n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gqy h ALA 99 N 4.40 1.00 -0.34 4.37 0.00 -1.53 -3.30 119.26 123.84 3gqy h ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gqy h ALA 99 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3gqy h ALA 99 CO 0.00 0.00 0.23 0.66 0.00 0.00 0.00 179.25 180.14 3gqy h SER 100 N 0.00 0.40 -3.52 0.00 4.64 -1.81 -3.31 113.55 109.95 3gqy h SER 100 Ca 0.00 -0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.61 3gqy h SER 100 Cb 0.69 -0.10 -0.34 0.00 -0.31 0.00 0.00 62.40 62.34 3gqy h SER 100 CO 0.00 0.29 -0.56 -0.62 -0.87 0.00 0.00 176.83 175.07 3gqy s ASP 101 N -6.75 5.24 0.57 4.97 2.15 -1.24 -4.98 116.67 116.63 3gqy s ASP 101 Ca -0.08 -1.91 0.26 0.00 0.43 0.00 0.00 52.55 51.26 3gqy s ASP 101 Cb 0.17 -1.83 1.53 0.00 -0.30 0.00 0.00 42.92 42.50 3gqy s ASP 101 CO 0.72 -0.51 2.06 -0.65 -0.17 0.00 0.00 175.17 176.63 3gqy h PRO 102 N 8.07 0.00 -0.68 4.34 0.11 -1.84 -1.34 132.00 140.66 3gqy h PRO 102 Ca -0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3gqy h PRO 102 Cb 1.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3gqy h PRO 102 CO 0.68 0.00 0.30 0.82 -0.21 0.00 0.00 178.00 179.60 3gqy h ILE 103 N 0.00 1.22 0.00 4.15 2.04 -1.93 -3.20 117.51 119.79 3gqy h ILE 103 Ca 0.13 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3gqy h ILE 103 Cb 0.62 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3gqy h ILE 103 CO -0.00 0.27 -0.94 0.18 0.00 0.00 0.00 178.15 177.67 3gqy n LEU 104 N -4.32 0.82 -4.72 1.44 4.77 -0.65 -4.67 117.00 109.66 3gqy n LEU 104 Ca 0.06 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.15 3gqy n LEU 104 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3gqy n LEU 104 CO 0.39 0.20 1.35 0.00 -1.33 0.00 0.00 177.39 178.00 3gqy n TYR 105 N -1.48 2.75 -3.91 -1.77 9.36 -0.60 -4.99 117.16 116.52 3gqy n TYR 105 Ca 0.03 0.07 -0.35 0.00 3.32 0.00 0.00 57.90 60.97 3gqy n TYR 105 Cb 0.30 -2.66 -0.14 0.00 -0.63 0.00 0.00 39.34 36.21 3gqy n TYR 105 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3gqy s ARG 106 N 0.95 3.19 0.47 2.98 0.52 -1.26 -4.80 118.95 121.00 3gqy s ARG 106 Ca 0.74 -0.75 -0.24 0.00 -0.52 0.00 0.00 55.73 54.95 3gqy s ARG 106 Cb -0.51 -3.04 -0.07 0.00 0.52 0.00 0.00 34.95 31.85 3gqy s ARG 106 CO 0.34 -0.28 1.37 -2.14 0.02 0.00 0.00 175.30 174.62 3gqy s PRO 107 N 1.44 3.56 -0.09 3.54 0.02 -1.26 -4.99 135.00 137.21 3gqy s PRO 107 Ca 0.04 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3gqy s PRO 107 Cb -0.15 -2.53 0.01 0.00 0.02 0.00 0.00 34.50 31.85 3gqy s PRO 107 CO -0.03 -0.87 -0.13 0.08 -0.33 0.00 0.00 177.00 175.71 3gqy s VAL 108 N -1.26 1.31 0.46 3.83 1.01 -1.26 -4.89 120.40 119.60 3gqy s VAL 108 Ca 0.64 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 3gqy s VAL 108 Cb -0.41 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3gqy s VAL 108 CO 0.51 0.40 0.77 0.00 0.00 0.00 0.00 175.10 176.79 3gqy s ALA 109 N 0.93 3.40 -0.14 5.51 0.00 -0.47 -4.91 121.76 126.09 3gqy s ALA 109 Ca -0.09 -0.44 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3gqy s ALA 109 Cb -0.15 -2.60 0.01 0.00 0.00 0.00 0.00 23.12 20.38 3gqy s ALA 109 CO -0.00 -0.25 -0.22 0.08 0.00 0.00 0.00 175.76 175.37 3gqy s VAL 110 N -2.63 2.11 -0.12 0.00 1.01 -1.26 -0.83 120.40 118.67 3gqy s VAL 110 Ca 0.48 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3gqy s VAL 110 Cb -0.10 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 3gqy s VAL 110 CO 0.41 0.55 -0.21 0.00 0.00 0.00 0.00 175.10 175.85 3gqy s ALA 111 N 0.76 2.31 -0.31 5.51 0.00 0.10 -1.04 121.76 129.09 3gqy s ALA 111 Ca -0.08 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.75 3gqy s ALA 111 Cb -0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3gqy s ALA 111 CO -0.01 0.20 0.36 -1.17 0.00 0.00 0.00 175.76 175.14 3gqy s LEU 112 N 0.46 4.25 -0.28 0.00 0.20 -0.53 -0.67 118.68 122.11 3gqy s LEU 112 Ca -0.14 -0.01 -0.09 0.00 0.69 0.00 0.00 54.13 54.58 3gqy s LEU 112 Cb -0.17 -2.37 -0.02 0.00 -0.43 0.00 0.00 46.19 43.20 3gqy s LEU 112 CO 0.06 -0.27 0.13 -0.62 -0.29 0.00 0.00 176.35 175.36 3gqy s ASP 113 N 1.70 5.48 0.59 3.68 -1.08 0.03 -0.24 116.67 126.83 3gqy s ASP 113 Ca 0.13 -0.31 -0.15 0.00 -0.52 0.00 0.00 52.55 51.70 3gqy s ASP 113 Cb -0.16 -1.99 -0.04 0.00 -1.46 0.00 0.00 42.92 39.27 3gqy s ASP 113 CO 0.11 -0.11 1.04 0.42 0.52 0.00 0.00 175.17 177.15 3gqy s THR 114 N 1.64 4.00 0.00 1.71 -4.23 -0.70 -0.72 115.64 117.35 3gqy s THR 114 Ca 0.06 0.90 -0.25 0.00 -1.18 0.00 0.00 61.69 61.22 3gqy s THR 114 Cb -0.16 -3.46 -0.17 0.00 1.34 0.00 0.00 72.50 70.04 3gqy s THR 114 CO 0.06 -0.61 1.26 0.50 -0.54 0.00 0.00 174.62 175.30 3gqy h LYS 115 N 0.35 -0.25 0.00 3.99 3.64 -1.92 -3.39 116.57 118.99 3gqy h LYS 115 Ca -0.46 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3gqy h LYS 115 Cb 1.21 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 3gqy h LYS 115 CO 0.58 0.09 0.00 0.41 -2.27 0.00 0.00 179.45 178.27 3gqy n GLY 116 N -0.18 -1.10 3.06 5.01 0.00 -1.26 -4.24 105.19 106.48 3gqy n GLY 116 Ca -0.09 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 3gqy n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gqy n PRO 117 N -0.52 2.19 -3.41 1.61 -0.04 -1.26 -4.92 135.00 128.65 3gqy n PRO 117 Ca 0.00 -2.34 -0.31 0.00 -0.04 0.00 0.00 63.50 60.81 3gqy n PRO 117 Cb 0.00 -3.20 -0.05 0.00 -0.04 0.00 0.00 33.50 30.21 3gqy n PRO 117 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gqy s GLU 118 N 4.40 3.77 -0.20 0.54 2.02 -1.26 -4.99 118.70 122.98 3gqy s GLU 118 Ca 0.54 0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.72 3gqy s GLU 118 Cb 0.12 -2.65 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 3gqy s GLU 118 CO 0.04 0.30 -0.04 0.42 0.02 0.00 0.00 175.26 176.00 3gqy s ILE 119 N -1.86 3.54 0.08 -1.63 1.01 -1.26 -4.90 121.20 116.18 3gqy s ILE 119 Ca 0.47 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.76 3gqy s ILE 119 Cb -0.11 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3gqy s ILE 119 CO 0.23 0.43 -0.23 -0.13 0.00 0.00 0.00 174.94 175.24 3gqy s ARG 120 N 1.19 1.39 0.93 2.79 1.81 -1.26 -0.86 118.95 124.94 3gqy s ARG 120 Ca 0.03 -1.12 -0.14 0.00 -1.72 0.00 0.00 55.73 52.77 3gqy s ARG 120 Cb -0.14 -1.65 0.19 0.00 -0.45 0.00 0.00 34.95 32.90 3gqy s ARG 120 CO -0.01 0.41 1.27 0.95 -0.68 0.00 0.00 175.30 177.24 3gqy s THR 121 N -0.96 2.02 0.00 0.02 -4.23 -0.39 -1.83 115.64 110.26 3gqy s THR 121 Ca 0.09 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 3gqy s THR 121 Cb -0.10 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3gqy s THR 121 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3gqy n GLY 122 N -3.63 0.63 3.74 3.99 0.00 -0.35 -3.37 105.19 106.20 3gqy n GLY 122 Ca 0.15 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 3gqy n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqy s LEU 123 N 0.00 4.38 -0.18 0.99 1.43 -0.65 -0.85 118.68 123.79 3gqy s LEU 123 Ca 0.00 1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 54.04 3gqy s LEU 123 Cb 0.00 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3gqy s LEU 123 CO 0.00 -0.01 1.50 -0.63 0.23 0.00 0.00 176.35 177.44 3gqy s ILE 124 N 0.26 3.87 -1.71 -0.59 -1.09 -1.22 -1.21 121.20 119.51 3gqy s ILE 124 Ca 0.35 1.02 -0.16 0.00 -2.23 0.00 0.00 60.65 59.63 3gqy s ILE 124 Cb -0.18 -3.78 0.15 0.00 -1.58 0.00 0.00 42.46 37.06 3gqy s ILE 124 CO 0.19 -0.23 0.61 0.29 -1.23 0.00 0.00 174.94 174.57 3gqy n LYS 125 N 7.23 -2.21 -0.98 2.79 5.02 0.24 -0.99 118.16 129.26 3gqy n LYS 125 Ca 0.17 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3gqy n LYS 125 Cb 0.45 -4.77 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 3gqy n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqy n GLY 126 N -1.49 0.80 3.14 0.72 0.00 0.59 -4.98 105.19 103.97 3gqy n GLY 126 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 3gqy n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqy s SER 127 N -2.64 1.75 0.49 1.61 0.15 -0.16 -5.04 113.70 109.86 3gqy s SER 127 Ca 0.00 -0.36 0.30 0.00 0.70 0.00 0.00 55.95 56.60 3gqy s SER 127 Cb 0.00 -0.16 1.10 0.00 -1.71 0.00 0.00 66.02 65.25 3gqy s SER 127 CO 0.00 0.12 1.87 1.23 1.20 0.00 0.00 173.24 177.67 3gqy h GLY 128 N 5.38 0.00 -0.36 9.45 0.00 -1.96 -3.16 103.07 112.43 3gqy h GLY 128 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3gqy h GLY 128 CO 0.46 0.00 -0.03 -1.30 0.00 0.00 0.00 176.54 175.68 3gqy n THR 129 N -2.98 0.00 -2.05 4.70 -2.24 -1.26 -4.39 114.28 106.05 3gqy n THR 129 Ca 0.02 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.95 3gqy n THR 129 Cb 0.35 1.09 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 3gqy n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqy s ALA 130 N -0.55 2.57 0.03 6.98 0.00 -1.20 -4.95 121.76 124.64 3gqy s ALA 130 Ca 0.05 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 3gqy s ALA 130 Cb 0.04 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 3gqy s ALA 130 CO 0.08 -1.09 -0.02 -1.21 0.00 0.00 0.00 175.76 173.52 3gqy s GLU 131 N -3.36 0.39 -0.08 0.00 2.02 -1.26 -3.93 118.70 112.49 3gqy s GLU 131 Ca 0.76 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 55.02 3gqy s GLU 131 Cb -0.28 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.10 3gqy s GLU 131 CO 0.32 -0.07 -0.11 0.14 0.02 0.00 0.00 175.26 175.56 3gqy s VAL 132 N -2.05 1.09 -0.61 2.63 -7.23 -0.66 -4.97 120.40 108.60 3gqy s VAL 132 Ca -0.10 -0.42 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 3gqy s VAL 132 Cb -0.06 -1.02 0.02 0.00 0.56 0.00 0.00 36.38 35.88 3gqy s VAL 132 CO -0.03 0.35 1.37 -1.83 -0.31 0.00 0.00 175.10 174.65 3gqy s GLU 133 N 0.92 3.27 0.32 4.82 1.03 -1.26 -0.82 118.70 126.98 3gqy s GLU 133 Ca -0.10 0.25 -0.28 0.00 0.03 0.00 0.00 54.97 54.88 3gqy s GLU 133 Cb -0.15 -4.13 -0.09 0.00 -0.80 0.00 0.00 34.13 28.95 3gqy s GLU 133 CO 0.01 -2.00 1.12 -0.51 -1.33 0.00 0.00 175.26 172.55 3gqy s LEU 134 N 5.97 4.41 -0.14 1.83 1.43 -0.19 -4.94 118.68 127.05 3gqy s LEU 134 Ca 0.47 2.28 -0.07 0.00 -1.03 0.00 0.00 54.13 55.78 3gqy s LEU 134 Cb -0.10 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 3gqy s LEU 134 CO 0.22 -0.32 0.10 -1.59 0.23 0.00 0.00 176.35 174.99 3gqy s LYS 135 N -1.79 3.60 0.09 1.70 0.00 -1.26 -2.29 119.74 119.78 3gqy s LYS 135 Ca 0.49 -0.23 -0.31 0.00 0.00 0.00 0.00 55.97 55.93 3gqy s LYS 135 Cb -0.31 -3.17 -0.10 0.00 0.00 0.00 0.00 37.83 34.25 3gqy s LYS 135 CO 0.39 0.59 1.88 0.15 0.00 0.00 0.00 175.35 178.36 3gqy s LYS 136 N -0.50 4.14 0.00 1.78 -0.14 -1.26 -2.26 119.74 121.50 3gqy s LYS 136 Ca 0.11 2.60 0.00 0.00 -1.36 0.00 0.00 55.97 57.32 3gqy s LYS 136 Cb -0.12 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.23 3gqy s LYS 136 CO 0.02 -0.88 0.00 0.41 -0.76 0.00 0.00 175.35 174.14 3gqy n GLY 137 N 4.34 2.12 3.49 -3.33 0.00 -0.85 -5.03 105.19 105.93 3gqy n GLY 137 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3gqy n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqy s ALA 138 N -2.23 -0.50 0.08 4.61 0.00 -0.96 -4.54 121.76 118.21 3gqy s ALA 138 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3gqy s ALA 138 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3gqy s ALA 138 CO 0.00 -3.88 0.01 -0.08 0.00 0.00 0.00 175.76 171.81 3gqy s THR 139 N -2.49 4.07 -0.15 0.00 -1.32 -1.26 -0.72 115.64 113.77 3gqy s THR 139 Ca 0.68 -0.92 -0.09 0.00 -1.21 0.00 0.00 61.69 60.15 3gqy s THR 139 Cb -0.24 -2.93 0.05 0.00 -1.51 0.00 0.00 72.50 67.88 3gqy s THR 139 CO 0.64 0.15 0.37 -0.22 -2.21 0.00 0.00 174.62 173.36 3gqy s LEU 140 N -2.21 0.11 -0.17 9.08 2.96 0.11 -4.77 118.68 123.79 3gqy s LEU 140 Ca 0.25 0.80 -0.10 0.00 -0.22 0.00 0.00 54.13 54.85 3gqy s LEU 140 Cb -0.12 1.21 -0.05 0.00 0.50 0.00 0.00 46.19 47.74 3gqy s LEU 140 CO 0.18 -0.18 0.17 -1.59 -1.32 0.00 0.00 176.35 173.61 3gqy s LYS 141 N 1.19 4.09 -0.17 1.98 -2.85 -0.58 -0.51 119.74 122.88 3gqy s LYS 141 Ca -0.08 -0.12 -0.11 0.00 -1.00 0.00 0.00 55.97 54.66 3gqy s LYS 141 Cb -0.08 -3.38 -0.05 0.00 -2.06 0.00 0.00 37.83 32.26 3gqy s LYS 141 CO -0.10 0.37 0.19 0.42 0.10 0.00 0.00 175.35 176.33 3gqy s ILE 142 N 0.14 5.38 0.12 3.79 1.09 0.17 -0.17 121.20 131.72 3gqy s ILE 142 Ca 0.11 0.33 0.07 0.00 -1.10 0.00 0.00 60.65 60.06 3gqy s ILE 142 Cb -0.12 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.72 3gqy s ILE 142 CO 0.01 0.45 -0.16 0.28 -0.10 0.00 0.00 174.94 175.41 3gqy s THR 143 N 0.21 1.46 -2.24 2.92 -1.32 -0.27 0.27 115.64 116.67 3gqy s THR 143 Ca 0.12 -1.66 0.18 0.00 -1.21 0.00 0.00 61.69 59.13 3gqy s THR 143 Cb -0.12 -1.52 0.13 0.00 -1.51 0.00 0.00 72.50 69.48 3gqy s THR 143 CO 0.01 -0.30 1.07 0.18 -2.21 0.00 0.00 174.62 173.36 3gqy n LEU 144 N 0.71 2.45 -4.61 9.08 4.77 -0.59 -2.26 117.00 126.55 3gqy n LEU 144 Ca -0.17 -0.97 -0.43 0.00 -0.03 0.00 0.00 56.01 54.41 3gqy n LEU 144 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3gqy n LEU 144 CO 0.26 0.43 1.42 -0.62 -1.33 0.00 0.00 177.39 177.54 3gqy s ASP 145 N -1.60 6.14 0.33 -1.43 -1.08 -1.26 -4.88 116.67 112.89 3gqy s ASP 145 Ca 0.21 1.29 0.23 0.00 -0.52 0.00 0.00 52.55 53.75 3gqy s ASP 145 Cb 0.15 -2.53 1.21 0.00 -1.46 0.00 0.00 42.92 40.29 3gqy s ASP 145 CO 0.26 -1.51 1.70 0.78 0.52 0.00 0.00 175.17 176.91 3gqy h ASN 146 N 11.74 0.00 -1.00 -0.34 4.21 -1.96 -0.97 115.58 127.26 3gqy h ASN 146 Ca -0.32 0.00 0.26 0.00 1.21 0.00 0.00 56.30 57.45 3gqy h ASN 146 Cb 1.15 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.28 3gqy h ASN 146 CO 1.03 0.00 0.68 0.00 -1.29 0.00 0.00 177.43 177.85 3gqy h ALA 147 N 2.03 2.53 -0.56 -0.83 0.00 -2.01 -1.73 119.26 118.69 3gqy h ALA 147 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqy h ALA 147 Cb 0.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gqy h ALA 147 CO 0.00 -0.86 0.00 0.66 0.00 0.00 0.00 179.25 179.05 3gqy n TYR 148 N -4.43 0.74 0.30 0.00 4.01 -0.37 -4.57 117.16 112.84 3gqy n TYR 148 Ca 0.22 -0.44 0.18 0.00 -0.16 0.00 0.00 57.90 57.70 3gqy n TYR 148 Cb 0.92 -0.01 0.89 0.00 -0.31 0.00 0.00 39.34 40.84 3gqy n TYR 148 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gqy h MET 149 N 3.77 0.00 0.00 -0.72 -0.00 -1.43 -1.79 114.93 114.75 3gqy h MET 149 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3gqy h MET 149 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.51 3gqy h MET 149 CO 0.00 0.04 -0.14 0.39 -0.00 0.00 0.00 176.91 177.20 3gqy n GLU 150 N -3.28 1.21 -2.28 -0.10 1.02 -1.26 -1.64 120.64 114.30 3gqy n GLU 150 Ca -0.02 -2.57 -0.05 0.00 -0.02 0.00 0.00 57.16 54.51 3gqy n GLU 150 Cb 0.20 -1.42 0.05 0.00 -0.02 0.00 0.00 31.44 30.25 3gqy n GLU 150 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gqy n LYS 151 N -1.24 1.90 -2.28 3.49 5.02 -0.68 -0.30 118.16 124.08 3gqy n LYS 151 Ca 0.15 -3.42 -0.36 0.00 -2.02 0.00 0.00 58.31 52.66 3gqy n LYS 151 Cb 0.66 -1.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.14 3gqy n LYS 151 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gqy n ASP 153 N -0.78 0.00 0.12 0.00 5.68 -0.33 -0.59 116.55 120.64 3gqy n ASP 153 Ca 0.09 -0.52 0.19 0.00 -0.50 0.00 0.00 54.79 54.05 3gqy n ASP 153 Cb 0.49 0.00 0.76 0.00 -1.14 0.00 0.00 41.12 41.24 3gqy n ASP 153 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3gqy h GLU 154 N 0.00 0.00 0.00 0.11 -0.00 -1.95 -3.28 114.58 109.45 3gqy h GLU 154 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.20 3gqy h GLU 154 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.72 3gqy h GLU 154 CO 0.00 0.00 -1.59 0.09 -0.00 0.00 0.00 179.01 177.51 3gqy n ASN 155 N -3.79 3.09 -4.23 3.06 3.02 -1.26 -4.78 115.26 110.37 3gqy n ASN 155 Ca 0.06 -0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.28 3gqy n ASN 155 Cb 0.54 0.16 -0.16 0.00 -0.61 0.00 0.00 39.78 39.71 3gqy n ASN 155 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqy s ILE 156 N -2.21 1.82 -0.14 2.41 -1.09 -1.24 -1.53 121.20 119.22 3gqy s ILE 156 Ca -0.10 -0.95 -0.01 0.00 -2.23 0.00 0.00 60.65 57.35 3gqy s ILE 156 Cb 0.03 -1.53 0.04 0.00 -1.58 0.00 0.00 42.46 39.42 3gqy s ILE 156 CO 0.28 0.51 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.27 3gqy s LEU 157 N -0.26 1.15 0.16 2.97 2.96 0.77 -1.19 118.68 125.24 3gqy s LEU 157 Ca 0.01 -0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 53.18 3gqy s LEU 157 Cb -0.11 -0.67 -0.08 0.00 0.50 0.00 0.00 46.19 45.83 3gqy s LEU 157 CO 0.02 -0.22 0.71 0.86 -1.32 0.00 0.00 176.35 176.40 3gqy s TRP 158 N 1.81 3.82 0.15 5.38 -0.00 -1.26 -1.12 118.94 127.72 3gqy s TRP 158 Ca 0.02 1.48 0.09 0.00 -0.00 0.00 0.00 56.10 57.69 3gqy s TRP 158 Cb -0.15 -2.66 -0.04 0.00 -0.00 0.00 0.00 33.47 30.62 3gqy s TRP 158 CO -0.07 0.49 -0.20 -0.51 -0.00 0.00 0.00 176.95 176.66 3gqy s LEU 159 N -1.34 2.39 0.00 5.86 1.43 -0.96 -1.21 118.68 124.84 3gqy s LEU 159 Ca 0.36 -0.80 0.25 0.00 -1.03 0.00 0.00 54.13 52.90 3gqy s LEU 159 Cb -0.21 -0.91 0.58 0.00 0.03 0.00 0.00 46.19 45.69 3gqy s LEU 159 CO 0.23 0.02 1.48 -0.90 0.23 0.00 0.00 176.35 177.41 3gqy n ASP 160 N 0.57 2.40 -4.48 2.29 5.68 -0.76 -4.65 116.55 117.59 3gqy n ASP 160 Ca -0.15 -1.80 -0.43 0.00 -0.50 0.00 0.00 54.79 51.91 3gqy n ASP 160 Cb 0.56 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.46 3gqy n ASP 160 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3gqy s TYR 161 N -1.90 2.99 0.16 2.11 6.04 -1.26 -4.88 117.35 120.61 3gqy s TYR 161 Ca 0.33 -1.30 -0.19 0.00 0.04 0.00 0.00 57.07 55.96 3gqy s TYR 161 Cb 0.20 -4.40 0.08 0.00 -1.04 0.00 0.00 41.96 36.81 3gqy s TYR 161 CO 0.31 -1.60 1.64 1.57 -1.54 0.00 0.00 175.55 175.93 3gqy h LYS 162 N 8.97 -0.11 -0.99 4.97 5.09 -1.96 -2.10 116.57 130.43 3gqy h LYS 162 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 60.65 60.92 3gqy h LYS 162 Cb 1.01 0.03 -0.01 0.00 0.10 0.00 0.00 32.23 33.36 3gqy h LYS 162 CO 1.20 -0.07 0.01 -1.71 -2.09 0.00 0.00 179.45 176.79 3gqy n ASN 163 N -5.36 2.03 -0.13 7.07 5.15 -1.26 -4.42 115.26 118.35 3gqy n ASN 163 Ca 0.02 -2.04 -0.01 0.00 -0.60 0.00 0.00 54.58 51.94 3gqy n ASN 163 Cb 0.27 -0.51 0.23 0.00 -0.53 0.00 0.00 39.78 39.24 3gqy n ASN 163 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3gqy h ILE 164 N 0.09 1.21 -0.09 -1.44 5.03 -1.80 -3.18 117.51 117.33 3gqy h ILE 164 Ca 0.01 -0.65 -0.12 0.00 -0.12 0.00 0.00 64.86 63.98 3gqy h ILE 164 Cb 0.79 0.54 -0.01 0.00 -3.03 0.00 0.00 36.82 35.11 3gqy h ILE 164 CO 0.03 0.26 -0.47 0.00 -0.68 0.00 0.00 178.15 177.29 3gqy h LYS 166 N 0.17 0.00 -0.02 0.00 -0.00 -1.92 -3.28 116.57 111.52 3gqy h LYS 166 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 3gqy h LYS 166 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.13 3gqy h LYS 166 CO 0.07 0.37 -0.25 1.33 -0.00 0.00 0.00 179.45 180.97 3gqy n VAL 167 N -3.91 0.00 -4.24 0.07 0.24 -1.14 -4.95 118.33 104.40 3gqy n VAL 167 Ca -0.02 -0.38 -0.20 0.00 -2.04 0.00 0.00 64.34 61.71 3gqy n VAL 167 Cb 0.43 1.37 -0.12 0.00 -1.47 0.00 0.00 33.84 34.05 3gqy n VAL 167 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3gqy s VAL 168 N -2.24 1.42 0.47 3.34 -7.23 -1.21 -4.29 120.40 110.67 3gqy s VAL 168 Ca 0.23 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3gqy s VAL 168 Cb 0.19 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.67 3gqy s VAL 168 CO 0.44 -0.27 0.05 -0.62 -0.31 0.00 0.00 175.10 174.39 3gqy n GLU 169 N 0.82 0.70 -2.10 4.82 -0.58 -1.26 -4.89 120.64 118.14 3gqy n GLU 169 Ca -0.18 -3.63 -0.37 0.00 -0.42 0.00 0.00 57.16 52.56 3gqy n GLU 169 Cb 0.55 1.32 0.01 0.00 -0.57 0.00 0.00 31.44 32.75 3gqy n GLU 169 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3gqy s VAL 170 N -2.93 2.77 0.00 2.62 1.01 -1.26 -2.49 120.40 120.11 3gqy s VAL 170 Ca 0.08 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3gqy s VAL 170 Cb 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3gqy s VAL 170 CO 0.05 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3gqy n GLY 171 N 0.54 1.99 3.76 4.51 0.00 -0.50 -4.99 105.19 110.50 3gqy n GLY 171 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3gqy n GLY 171 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 172 N -3.49 5.66 -0.09 1.61 0.01 -1.04 -4.69 113.70 111.68 3gqy s SER 172 Ca 0.00 2.57 -0.13 0.00 1.31 0.00 0.00 55.95 59.70 3gqy s SER 172 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 3gqy s SER 172 CO 0.00 -1.29 0.32 -1.59 0.41 0.00 0.00 173.24 171.10 3gqy s LYS 173 N -2.81 3.98 -0.09 12.44 0.00 -1.26 -1.76 119.74 130.24 3gqy s LYS 173 Ca 0.68 0.20 0.04 0.00 0.00 0.00 0.00 55.97 56.88 3gqy s LYS 173 Cb -0.35 -3.30 0.00 0.00 0.00 0.00 0.00 37.83 34.18 3gqy s LYS 173 CO 0.42 0.51 -0.21 0.42 0.00 0.00 0.00 175.35 176.49 3gqy s ILE 174 N -0.40 1.84 -0.06 3.79 1.01 0.93 -4.49 121.20 123.83 3gqy s ILE 174 Ca 0.20 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 60.00 3gqy s ILE 174 Cb -0.14 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3gqy s ILE 174 CO 0.08 0.51 -0.21 -0.31 0.00 0.00 0.00 174.94 175.01 3gqy s TYR 175 N 0.44 2.54 -0.01 3.97 1.51 -0.86 0.13 117.35 125.05 3gqy s TYR 175 Ca -0.17 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 3gqy s TYR 175 Cb -0.17 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3gqy s TYR 175 CO 0.07 -0.06 -0.17 0.08 -1.11 0.00 0.00 175.55 174.37 3gqy s VAL 176 N -0.37 1.34 -0.44 0.71 1.01 -0.14 -0.69 120.40 121.83 3gqy s VAL 176 Ca 0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 3gqy s VAL 176 Cb -0.12 -1.12 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3gqy s VAL 176 CO 0.02 0.38 0.55 -0.67 0.00 0.00 0.00 175.10 175.38 3gqy n ASP 177 N 2.69 -7.31 -3.53 3.32 4.64 0.45 -1.73 116.55 115.09 3gqy n ASP 177 Ca -0.15 0.38 -0.26 0.00 -1.38 0.00 0.00 54.79 53.38 3gqy n ASP 177 Cb 0.54 -4.93 0.03 0.00 -1.04 0.00 0.00 41.12 35.73 3gqy n ASP 177 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3gqy n ASP 178 N -0.58 -5.30 -0.63 1.67 4.64 -1.26 -2.11 116.55 112.98 3gqy n ASP 178 Ca 0.09 -0.53 -0.08 0.00 -1.38 0.00 0.00 54.79 52.88 3gqy n ASP 178 Cb 0.43 -4.24 -0.04 0.00 -1.04 0.00 0.00 41.12 36.23 3gqy n ASP 178 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gqy n GLY 179 N -1.62 0.86 0.10 0.27 0.00 -1.25 -4.85 105.19 98.69 3gqy n GLY 179 Ca -0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 3gqy n GLY 179 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gqy h LEU 180 N 0.00 0.30 -9.37 0.99 3.38 -1.35 -3.44 115.31 105.82 3gqy h LEU 180 Ca -0.17 -0.41 -0.61 0.00 0.09 0.00 0.00 57.88 56.79 3gqy h LEU 180 Cb 0.98 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.53 3gqy h LEU 180 CO 0.25 1.34 -0.38 -0.63 0.09 0.00 0.00 178.44 179.11 3gqy s ILE 181 N -2.63 5.34 -0.03 1.22 1.01 -0.70 -4.73 121.20 120.68 3gqy s ILE 181 Ca -0.07 0.43 0.07 0.00 0.00 0.00 0.00 60.65 61.08 3gqy s ILE 181 Cb 0.07 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 3gqy s ILE 181 CO 0.85 0.45 -0.23 -0.55 0.00 0.00 0.00 174.94 175.45 3gqy s SER 182 N 0.10 2.80 0.03 3.58 0.15 -0.89 -0.97 113.70 118.49 3gqy s SER 182 Ca 0.15 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3gqy s SER 182 Cb -0.13 -0.48 -0.02 0.00 -1.71 0.00 0.00 66.02 63.69 3gqy s SER 182 CO 0.03 0.27 -0.04 -0.76 1.20 0.00 0.00 173.24 173.94 3gqy s LEU 183 N -0.40 2.25 -0.07 3.45 1.43 0.12 -0.82 118.68 124.64 3gqy s LEU 183 Ca 0.05 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3gqy s LEU 183 Cb -0.11 0.05 -0.00 0.00 0.03 0.00 0.00 46.19 46.16 3gqy s LEU 183 CO 0.01 -0.29 -0.20 -1.58 0.23 0.00 0.00 176.35 174.52 3gqy s GLN 184 N -1.53 2.29 1.06 1.70 0.74 -1.12 -0.05 119.66 122.75 3gqy s GLN 184 Ca -0.14 -0.72 -0.18 0.00 0.05 0.00 0.00 55.36 54.37 3gqy s GLN 184 Cb -0.10 -1.87 0.26 0.00 1.10 0.00 0.00 33.01 32.40 3gqy s GLN 184 CO -0.01 0.22 1.15 0.28 -0.55 0.00 0.00 175.29 176.38 3gqy n VAL 185 N 3.31 0.00 -0.07 1.34 0.31 -0.72 -2.78 118.33 119.72 3gqy n VAL 185 Ca -0.19 -0.68 -0.07 0.00 -0.01 0.00 0.00 64.34 63.39 3gqy n VAL 185 Cb 0.53 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 32.08 3gqy n VAL 185 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gqy h ALA 190 N -2.29 -0.01 -0.69 3.52 0.00 -2.03 -1.32 119.26 116.45 3gqy h ALA 190 Ca -0.40 0.10 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 3gqy h ALA 190 Cb 1.17 0.45 -0.41 0.00 0.00 0.00 0.00 17.79 19.00 3gqy h ALA 190 CO 0.27 -0.60 -1.01 -3.47 0.00 0.00 0.00 179.25 174.44 3gqy n ASP 191 N -5.36 2.77 -3.83 0.00 4.64 -1.26 -4.95 116.55 108.57 3gqy n ASP 191 Ca 0.00 -2.75 -0.08 0.00 -1.38 0.00 0.00 54.79 50.59 3gqy n ASP 191 Cb 0.27 -0.45 -0.02 0.00 -1.04 0.00 0.00 41.12 39.89 3gqy n ASP 191 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3gqy s PHE 192 N -3.63 -0.19 -0.03 -0.67 -0.12 -1.26 -1.54 117.98 110.54 3gqy s PHE 192 Ca 0.36 -0.24 -0.05 0.00 -0.05 0.00 0.00 56.93 56.94 3gqy s PHE 192 Cb 0.37 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 43.43 3gqy s PHE 192 CO -0.02 -1.19 0.13 -0.51 -0.05 0.00 0.00 175.22 173.59 3gqy s LEU 193 N -2.91 1.53 -0.16 -1.99 1.43 0.14 -4.99 118.68 111.73 3gqy s LEU 193 Ca 0.11 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3gqy s LEU 193 Cb -0.05 0.52 -0.01 0.00 0.03 0.00 0.00 46.19 46.68 3gqy s LEU 193 CO 0.05 -0.16 -0.10 -0.69 0.23 0.00 0.00 176.35 175.68 3gqy s VAL 194 N -0.47 3.18 0.11 -1.59 1.01 -1.26 0.46 120.40 121.85 3gqy s VAL 194 Ca -0.05 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.36 3gqy s VAL 194 Cb -0.04 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3gqy s VAL 194 CO 0.01 0.49 -0.08 0.42 0.00 0.00 0.00 175.10 175.94 3gqy s THR 195 N 0.74 0.84 -0.07 3.92 -4.23 0.33 -4.53 115.64 112.64 3gqy s THR 195 Ca -0.04 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3gqy s THR 195 Cb -0.15 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.96 3gqy s THR 195 CO 0.02 -0.82 -0.18 -1.83 -0.54 0.00 0.00 174.62 171.26 3gqy s GLU 196 N -3.75 2.71 -0.64 3.99 -1.05 -1.12 0.10 118.70 118.94 3gqy s GLU 196 Ca 0.13 -0.77 -0.27 0.00 -0.15 0.00 0.00 54.97 53.91 3gqy s GLU 196 Cb 0.04 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.37 3gqy s GLU 196 CO -0.03 0.45 1.74 0.14 0.95 0.00 0.00 175.26 178.50 3gqy s VAL 197 N -0.29 3.43 0.14 1.83 -7.23 0.10 -2.81 120.40 115.57 3gqy s VAL 197 Ca 0.01 0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 60.37 3gqy s VAL 197 Cb -0.13 -4.15 -0.15 0.00 0.56 0.00 0.00 36.38 32.51 3gqy s VAL 197 CO 0.03 -1.11 1.35 -0.08 -0.31 0.00 0.00 175.10 174.97 3gqy h GLU 198 N 13.91 0.51 -4.02 4.82 4.81 -1.31 -2.27 114.58 131.03 3gqy h GLU 198 Ca -0.26 -0.47 -0.46 0.00 -0.13 0.00 0.00 59.36 58.04 3gqy h GLU 198 Cb 1.14 0.11 -0.36 0.00 0.63 0.00 0.00 28.75 30.27 3gqy h GLU 198 CO 1.23 1.10 -0.78 -0.80 -0.73 0.00 0.00 179.01 179.03 3gqy s ASN 199 N -7.06 1.55 0.03 1.04 0.01 -0.99 -4.85 114.94 104.68 3gqy s ASN 199 Ca -0.07 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 3gqy s ASN 199 Cb 0.09 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 41.17 3gqy s ASN 199 CO 0.87 -0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.96 3gqy n GLY 200 N 4.62 1.24 0.00 0.66 0.00 -1.26 -2.10 105.19 108.34 3gqy n GLY 200 Ca -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3gqy n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqy n GLY 201 N 5.00 0.82 3.71 -0.02 0.00 -0.97 -4.71 105.19 109.01 3gqy n GLY 201 Ca 0.00 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 3gqy n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqy s SER 202 N -1.37 6.91 -0.30 1.61 1.04 -1.26 -1.03 113.70 119.31 3gqy s SER 202 Ca 0.00 2.15 -0.08 0.00 0.48 0.00 0.00 55.95 58.50 3gqy s SER 202 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3gqy s SER 202 CO 0.00 -0.62 0.11 -0.22 0.98 0.00 0.00 173.24 173.49 3gqy s LEU 203 N 1.51 3.94 0.00 2.42 2.96 0.00 -4.91 118.68 124.61 3gqy s LEU 203 Ca 0.62 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3gqy s LEU 203 Cb -0.33 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.43 3gqy s LEU 203 CO 0.28 -0.19 0.04 0.61 -1.32 0.00 0.00 176.35 175.77 3gqy n GLY 204 N 4.92 2.29 3.84 7.98 0.00 -1.26 -1.65 105.19 121.32 3gqy n GLY 204 Ca -0.14 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 3gqy n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 205 N -1.18 6.83 -1.37 1.61 0.01 -1.25 -4.48 113.70 113.87 3gqy s SER 205 Ca 0.03 1.19 -0.06 0.00 1.31 0.00 0.00 55.95 58.41 3gqy s SER 205 Cb -0.00 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3gqy s SER 205 CO 0.02 -0.03 0.44 0.29 0.41 0.00 0.00 173.24 174.37 3gqy n LYS 206 N 0.29 -2.41 -3.40 12.44 5.02 -0.03 -4.96 118.16 125.10 3gqy n LYS 206 Ca -0.01 0.34 -0.30 0.00 -2.02 0.00 0.00 58.31 56.32 3gqy n LYS 206 Cb 0.52 -4.18 -0.04 0.00 -0.02 0.00 0.00 35.03 31.31 3gqy n LYS 206 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gqy s LYS 207 N -6.64 3.69 0.28 1.97 -0.14 -1.26 -4.66 119.74 112.98 3gqy s LYS 207 Ca 0.11 0.10 -0.29 0.00 -1.36 0.00 0.00 55.97 54.53 3gqy s LYS 207 Cb -0.05 -2.67 -0.09 0.00 -1.68 0.00 0.00 37.83 33.34 3gqy s LYS 207 CO 0.91 0.28 1.11 0.20 -0.76 0.00 0.00 175.35 177.09 3gqy s GLY 208 N -2.78 3.04 -0.02 -3.33 0.00 -1.26 -1.27 107.32 101.71 3gqy s GLY 208 Ca 0.45 0.92 0.07 0.00 0.00 0.00 0.00 44.72 46.15 3gqy s GLY 208 CO 0.26 1.54 -0.23 0.14 0.00 0.00 0.00 173.10 174.81 3gqy s VAL 209 N -1.10 2.32 0.01 1.40 1.01 -0.04 -0.41 120.40 123.60 3gqy s VAL 209 Ca 0.45 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3gqy s VAL 209 Cb -0.32 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3gqy s VAL 209 CO 0.41 0.57 -0.19 0.20 0.00 0.00 0.00 175.10 176.09 3gqy s ASN 210 N -0.67 2.29 -0.59 3.32 -0.87 0.14 -4.40 114.94 114.15 3gqy s ASN 210 Ca 0.10 -0.43 0.06 0.00 -1.57 0.00 0.00 52.86 51.03 3gqy s ASN 210 Cb -0.10 -0.22 0.21 0.00 -0.02 0.00 0.00 41.25 41.12 3gqy s ASN 210 CO -0.00 0.19 0.57 0.18 -2.57 0.00 0.00 177.10 175.47 3gqy n LEU 211 N 2.25 2.36 -0.31 0.60 4.77 -1.26 -2.03 117.00 123.38 3gqy n LEU 211 Ca -0.16 -5.10 0.02 0.00 -0.03 0.00 0.00 56.01 50.74 3gqy n LEU 211 Cb 0.53 -0.32 0.16 0.00 -2.33 0.00 0.00 43.42 41.46 3gqy n LEU 211 CO 0.23 1.93 1.17 -0.65 -1.33 0.00 0.00 177.39 178.75 3gqy h PRO 212 N 4.76 0.86 -0.93 3.23 0.11 -1.86 -1.75 132.00 136.41 3gqy h PRO 212 Ca 0.17 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 3gqy h PRO 212 Cb 0.76 -0.19 -0.10 0.00 0.11 0.00 0.00 31.00 31.58 3gqy h PRO 212 CO 0.67 0.57 0.21 0.41 -0.21 0.00 0.00 178.00 179.65 3gqy n GLY 213 N -1.33 2.89 3.08 -0.55 0.00 -1.26 -4.91 105.19 103.11 3gqy n GLY 213 Ca 0.14 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 3gqy n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqy s ALA 214 N -1.72 0.79 -1.03 4.61 0.00 -0.66 -5.05 121.76 118.70 3gqy s ALA 214 Ca 0.28 -0.72 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 3gqy s ALA 214 Cb 0.23 -0.06 0.18 0.00 0.00 0.00 0.00 23.12 23.46 3gqy s ALA 214 CO 0.06 0.09 1.17 0.00 0.00 0.00 0.00 175.76 177.08 3gqy s ALA 215 N -1.01 3.89 0.20 0.00 0.00 -1.26 -4.95 121.76 118.62 3gqy s ALA 215 Ca -0.04 -3.21 -0.31 0.00 0.00 0.00 0.00 51.96 48.40 3gqy s ALA 215 Cb -0.08 -3.92 -0.11 0.00 0.00 0.00 0.00 23.12 19.01 3gqy s ALA 215 CO 0.01 -2.69 1.60 0.08 0.00 0.00 0.00 175.76 174.76 3gqy s VAL 216 N 1.36 2.40 -0.39 0.00 1.01 -1.26 -4.92 120.40 118.60 3gqy s VAL 216 Ca 0.33 0.30 0.16 0.00 0.00 0.00 0.00 61.98 62.77 3gqy s VAL 216 Cb -0.06 -3.19 0.56 0.00 0.00 0.00 0.00 36.38 33.70 3gqy s VAL 216 CO -0.06 0.03 1.47 -0.90 0.00 0.00 0.00 175.10 175.64 3gqy n ASP 217 N 3.63 4.14 -4.75 3.32 5.68 -1.26 -5.02 116.55 122.29 3gqy n ASP 217 Ca 0.13 -2.80 -0.33 0.00 -0.50 0.00 0.00 54.79 51.29 3gqy n ASP 217 Cb 0.38 -0.53 0.07 0.00 -1.14 0.00 0.00 41.12 39.90 3gqy n ASP 217 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3gqy s LEU 218 N -2.45 3.33 0.45 -2.12 1.43 -1.26 -4.97 118.68 113.09 3gqy s LEU 218 Ca 0.42 2.14 -0.24 0.00 -1.03 0.00 0.00 54.13 55.43 3gqy s LEU 218 Cb 0.32 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 3gqy s LEU 218 CO 0.13 -1.94 1.26 -2.16 0.23 0.00 0.00 176.35 173.87 3gqy s PRO 219 N -4.05 3.74 0.14 1.29 0.04 -1.26 -4.94 135.00 129.96 3gqy s PRO 219 Ca 0.70 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.56 3gqy s PRO 219 Cb -0.24 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.77 3gqy s PRO 219 CO 0.44 -0.64 1.66 0.00 0.04 0.00 0.00 177.00 178.49 3gqy h ALA 220 N 2.23 -0.03 -3.57 8.56 0.00 -1.97 -3.37 119.26 121.11 3gqy h ALA 220 Ca -0.50 0.08 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 3gqy h ALA 220 Cb 1.26 0.37 -0.40 0.00 0.00 0.00 0.00 17.79 19.01 3gqy h ALA 220 CO 0.61 -0.60 -0.71 0.08 0.00 0.00 0.00 179.25 178.63 3gqy s VAL 221 N -6.14 2.12 1.08 0.00 1.01 -1.26 -4.52 120.40 112.69 3gqy s VAL 221 Ca -0.14 -2.35 -0.16 0.00 0.00 0.00 0.00 61.98 59.33 3gqy s VAL 221 Cb 0.12 -2.56 0.23 0.00 0.00 0.00 0.00 36.38 34.16 3gqy s VAL 221 CO 0.68 -0.64 1.13 -0.94 0.00 0.00 0.00 175.10 175.33 3gqy s SER 222 N 0.84 2.01 0.21 3.32 1.04 -1.26 -4.76 113.70 115.10 3gqy s SER 222 Ca 0.12 0.79 -0.10 0.00 0.48 0.00 0.00 55.95 57.24 3gqy s SER 222 Cb -0.20 -1.19 0.17 0.00 0.10 0.00 0.00 66.02 64.91 3gqy s SER 222 CO -0.09 -3.47 1.89 -0.08 0.98 0.00 0.00 173.24 172.47 3gqy h GLU 223 N -2.13 1.02 -0.43 4.02 4.81 -1.99 -0.60 114.58 119.27 3gqy h GLU 223 Ca -0.49 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.69 3gqy h GLU 223 Cb 1.31 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3gqy h GLU 223 CO 0.46 0.68 0.28 -0.22 -0.73 0.00 0.00 179.01 179.47 3gqy h LYS 224 N 1.05 0.54 -0.79 1.92 3.64 -1.99 -1.60 116.57 119.34 3gqy h LYS 224 Ca 0.29 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3gqy h LYS 224 Cb -0.11 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.54 3gqy h LYS 224 CO -0.07 0.36 0.51 -0.44 -2.27 0.00 0.00 179.45 177.54 3gqy h ASP 225 N 0.56 0.85 -0.21 4.20 3.32 -1.75 0.14 116.42 123.54 3gqy h ASP 225 Ca 0.16 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3gqy h ASP 225 Cb -0.04 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 3gqy h ASP 225 CO -0.05 0.59 0.03 0.40 -1.72 0.00 0.00 179.24 178.49 3gqy h ILE 226 N 1.00 0.89 -0.69 0.35 2.04 -0.72 0.80 117.51 121.19 3gqy h ILE 226 Ca 0.31 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.17 3gqy h ILE 226 Cb -0.01 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.79 3gqy h ILE 226 CO -0.10 0.02 0.42 1.56 0.00 0.00 0.00 178.15 180.05 3gqy h GLN 227 N 0.11 0.79 -0.49 2.37 4.20 -0.77 -1.99 115.11 119.33 3gqy h GLN 227 Ca 0.09 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.63 3gqy h GLN 227 Cb 0.10 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3gqy h GLN 227 CO -0.13 0.52 -0.18 -0.44 -0.67 0.00 0.00 178.83 177.92 3gqy h ASP 228 N 0.81 0.98 -0.49 1.46 3.32 -0.39 -1.95 116.42 120.17 3gqy h ASP 228 Ca 0.29 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3gqy h ASP 228 Cb 0.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3gqy h ASP 228 CO -0.13 1.14 0.01 -0.07 -1.72 0.00 0.00 179.24 178.48 3gqy h LEU 229 N 0.85 0.84 -0.46 1.55 3.38 -0.68 0.73 115.31 121.51 3gqy h LEU 229 Ca 0.12 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3gqy h LEU 229 Cb 0.75 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3gqy h LEU 229 CO 0.06 0.93 0.21 0.50 0.09 0.00 0.00 178.44 180.23 3gqy h LYS 230 N 0.72 0.40 -0.64 1.13 3.64 -1.29 -0.57 116.57 119.96 3gqy h LYS 230 Ca 0.14 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 3gqy h LYS 230 Cb 0.49 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3gqy h LYS 230 CO 0.02 0.26 0.36 0.35 -2.27 0.00 0.00 179.45 178.18 3gqy h PHE 231 N 0.41 0.67 -0.50 1.91 3.57 -0.93 -1.15 116.94 120.91 3gqy h PHE 231 Ca 0.21 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.77 3gqy h PHE 231 Cb 0.16 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 3gqy h PHE 231 CO -0.12 0.34 0.28 0.78 -2.23 0.00 0.00 178.31 177.35 3gqy h GLY 232 N 0.68 0.71 0.96 2.40 0.00 -0.04 0.20 103.07 107.98 3gqy h GLY 232 Ca 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3gqy h GLY 232 CO -0.16 0.15 0.06 -2.08 0.00 0.00 0.00 176.54 174.51 3gqy h VAL 233 N 0.55 1.06 -0.79 4.60 2.07 -0.72 -1.82 116.25 121.20 3gqy h VAL 233 Ca 0.21 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3gqy h VAL 233 Cb 0.08 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3gqy h VAL 233 CO -0.12 0.05 0.52 -0.33 0.02 0.00 0.00 177.57 177.70 3gqy h GLU 234 N 0.09 0.81 -0.04 1.57 5.08 -0.67 -1.96 114.58 119.46 3gqy h GLU 234 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gqy h GLU 234 Cb 0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3gqy h GLU 234 CO -0.01 0.53 0.00 1.04 -1.00 0.00 0.00 179.01 179.58 3gqy n GLN 235 N -4.49 1.52 -3.45 2.33 1.13 0.64 -4.94 117.38 110.13 3gqy n GLN 235 Ca 0.12 -0.77 -0.21 0.00 -1.94 0.00 0.00 57.00 54.20 3gqy n GLN 235 Cb 0.23 -1.45 0.07 0.00 0.11 0.00 0.00 30.24 29.20 3gqy n GLN 235 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3gqy n ASP 236 N -0.05 -5.93 -4.74 1.08 2.03 -0.73 -4.98 116.55 103.23 3gqy n ASP 236 Ca 0.19 -0.47 -0.34 0.00 0.52 0.00 0.00 54.79 54.69 3gqy n ASP 236 Cb 0.29 -4.56 0.08 0.00 -0.72 0.00 0.00 41.12 36.21 3gqy n ASP 236 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gqy s VAL 237 N -3.27 2.67 -0.09 5.18 -7.23 -0.95 -4.96 120.40 111.75 3gqy s VAL 237 Ca 0.51 0.32 0.15 0.00 -1.81 0.00 0.00 61.98 61.15 3gqy s VAL 237 Cb -0.22 -2.86 -0.18 0.00 0.56 0.00 0.00 36.38 33.68 3gqy s VAL 237 CO 0.63 -0.18 0.75 0.47 -0.31 0.00 0.00 175.10 176.46 3gqy n ASP 238 N -2.61 0.87 -3.57 4.85 8.00 -0.21 -4.85 116.55 119.03 3gqy n ASP 238 Ca 0.12 0.40 -0.15 0.00 0.71 0.00 0.00 54.79 55.87 3gqy n ASP 238 Cb 0.51 0.06 -0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3gqy n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gqy s MET 239 N -2.78 1.01 -0.12 -1.24 0.23 -1.16 -2.36 119.30 112.88 3gqy s MET 239 Ca -0.04 -0.09 0.00 0.00 -1.03 0.00 0.00 55.69 54.54 3gqy s MET 239 Cb 0.08 0.46 -0.02 0.00 -1.53 0.00 0.00 34.83 33.83 3gqy s MET 239 CO 0.82 -0.35 -0.12 0.08 -2.03 0.00 0.00 175.02 173.42 3gqy s VAL 240 N -1.99 3.17 -0.48 5.16 1.01 0.38 -1.45 120.40 126.20 3gqy s VAL 240 Ca -0.08 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3gqy s VAL 240 Cb -0.01 -2.32 0.10 0.00 0.00 0.00 0.00 36.38 34.15 3gqy s VAL 240 CO 0.02 0.54 0.40 -0.36 0.00 0.00 0.00 175.10 175.70 3gqy s PHE 241 N 0.12 3.28 -0.30 5.22 0.08 0.67 -0.40 117.98 126.64 3gqy s PHE 241 Ca -0.06 -1.24 -0.23 0.00 0.12 0.00 0.00 56.93 55.52 3gqy s PHE 241 Cb -0.15 -3.37 -0.00 0.00 -0.57 0.00 0.00 43.02 38.93 3gqy s PHE 241 CO 0.04 -0.90 0.75 0.00 -0.10 0.00 0.00 175.22 175.02 3gqy s ALA 242 N 1.56 3.53 0.31 5.36 0.00 -0.06 -1.72 121.76 130.74 3gqy s ALA 242 Ca 0.04 -0.47 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 3gqy s ALA 242 Cb -0.26 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3gqy s ALA 242 CO 0.04 -1.16 1.05 -1.12 0.00 0.00 0.00 175.76 174.58 3gqy s SER 243 N 1.61 7.19 -1.57 0.00 0.01 -1.26 -1.16 113.70 118.52 3gqy s SER 243 Ca 0.31 2.14 -0.05 0.00 1.31 0.00 0.00 55.95 59.66 3gqy s SER 243 Cb -0.14 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.48 3gqy s SER 243 CO 0.12 -0.19 0.63 0.49 0.41 0.00 0.00 173.24 174.70 3gqy n PHE 244 N 0.85 -2.00 -1.81 2.43 3.01 -1.23 -4.61 117.46 114.11 3gqy n PHE 244 Ca 0.01 0.54 -0.42 0.00 1.01 0.00 0.00 57.45 58.58 3gqy n PHE 244 Cb 0.47 -4.54 -0.03 0.00 -0.01 0.00 0.00 39.48 35.36 3gqy n PHE 244 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3gqy s ILE 245 N -3.19 2.73 -0.04 4.37 -1.09 -1.02 -4.88 121.20 118.08 3gqy s ILE 245 Ca 0.31 0.24 0.14 0.00 -2.23 0.00 0.00 60.65 59.11 3gqy s ILE 245 Cb -0.14 -3.15 -0.21 0.00 -1.58 0.00 0.00 42.46 37.38 3gqy s ILE 245 CO 0.39 0.00 0.27 0.54 -1.23 0.00 0.00 174.94 174.91 3gqy n ARG 246 N 5.56 0.65 -3.69 2.79 1.74 -1.26 -4.30 116.66 118.15 3gqy n ARG 246 Ca 0.17 -0.11 -0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3gqy n ARG 246 Cb 0.39 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.48 3gqy n ARG 246 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3gqy s LYS 247 N -2.89 0.93 0.36 5.56 -2.85 -1.26 -3.84 119.74 115.75 3gqy s LYS 247 Ca -0.05 -0.49 0.05 0.00 -1.00 0.00 0.00 55.97 54.47 3gqy s LYS 247 Cb 0.08 0.33 0.69 0.00 -2.06 0.00 0.00 37.83 36.88 3gqy s LYS 247 CO 0.59 -0.42 1.97 0.00 0.10 0.00 0.00 175.35 177.58 3gqy h ALA 248 N 2.00 1.52 0.00 0.59 0.00 -1.86 -2.06 119.26 119.45 3gqy h ALA 248 Ca -0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3gqy h ALA 248 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3gqy h ALA 248 CO 0.27 0.38 -0.20 0.66 0.00 0.00 0.00 179.25 180.36 3gqy h SER 249 N 0.60 0.00 -0.37 0.00 4.64 -1.96 -1.07 113.55 115.39 3gqy h SER 249 Ca 0.15 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 3gqy h SER 249 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3gqy h SER 249 CO -0.02 0.20 0.04 0.44 -0.87 0.00 0.00 176.83 176.62 3gqy h ASP 250 N 0.00 0.60 -0.54 4.97 3.32 -1.78 -1.52 116.42 121.47 3gqy h ASP 250 Ca -0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 3gqy h ASP 250 Cb 0.41 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3gqy h ASP 250 CO 0.03 0.72 0.16 0.58 -1.72 0.00 0.00 179.24 179.01 3gqy h VAL 251 N 0.45 1.24 -0.86 -1.35 2.07 -1.33 -2.33 116.25 114.14 3gqy h VAL 251 Ca 0.11 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3gqy h VAL 251 Cb 0.39 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3gqy h VAL 251 CO 0.01 0.30 0.46 0.45 0.02 0.00 0.00 177.57 178.81 3gqy h HIS 252 N 0.74 1.18 -0.03 1.57 3.86 -1.18 -0.90 115.15 120.40 3gqy h HIS 252 Ca 0.17 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3gqy h HIS 252 Cb 0.29 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3gqy h HIS 252 CO 0.02 0.83 0.02 1.49 0.86 0.00 0.00 177.93 181.14 3gqy h GLU 253 N 1.20 0.04 -0.67 2.45 4.57 -0.93 0.74 114.58 121.97 3gqy h GLU 253 Ca 0.30 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.51 3gqy h GLU 253 Cb 0.04 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 3gqy h GLU 253 CO -0.05 0.03 0.41 0.28 -1.18 0.00 0.00 179.01 178.51 3gqy h VAL 254 N 0.03 1.08 -0.66 0.32 2.07 -1.24 0.01 116.25 117.85 3gqy h VAL 254 Ca 0.01 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3gqy h VAL 254 Cb 0.00 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 3gqy h VAL 254 CO -0.00 0.15 0.42 -0.09 0.02 0.00 0.00 177.57 178.07 3gqy h ARG 255 N 0.81 0.82 -0.20 1.57 9.65 -0.72 -0.78 114.38 125.54 3gqy h ARG 255 Ca 0.27 -0.05 -0.18 0.00 -1.10 0.00 0.00 59.98 58.92 3gqy h ARG 255 Cb 0.03 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.43 3gqy h ARG 255 CO -0.11 0.54 -0.60 0.87 2.80 0.00 0.00 179.97 183.48 3gqy h LYS 256 N 0.85 0.67 -0.45 0.20 1.57 -0.37 -0.23 116.57 118.80 3gqy h LYS 256 Ca 0.26 -0.45 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3gqy h LYS 256 Cb -0.03 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3gqy h LYS 256 CO -0.08 1.07 0.21 0.28 -0.57 0.00 0.00 179.45 180.36 3gqy h VAL 257 N 0.50 1.18 -0.47 0.50 2.07 -0.80 -2.24 116.25 116.99 3gqy h VAL 257 Ca -0.00 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3gqy h VAL 257 Cb 1.17 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3gqy h VAL 257 CO 0.12 0.20 0.19 -0.07 0.02 0.00 0.00 177.57 178.03 3gqy h LEU 258 N 0.58 0.61 0.00 2.57 3.38 -0.98 -3.47 115.31 118.00 3gqy h LEU 258 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gqy h LEU 258 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gqy h LEU 258 CO -0.02 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.67 3gqy n GLY 259 N -1.14 0.98 0.23 0.83 0.00 -0.11 -1.84 105.19 104.14 3gqy n GLY 259 Ca 0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 3gqy n GLY 259 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gqy h GLU 260 N 0.00 0.75 -0.06 1.61 4.22 -1.88 -2.34 114.58 116.88 3gqy h GLU 260 Ca 0.00 -0.51 -0.06 0.00 0.08 0.00 0.00 59.36 58.87 3gqy h GLU 260 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3gqy h GLU 260 CO 0.00 1.13 -0.24 0.87 -2.18 0.00 0.00 179.01 178.59 3gqy h LYS 261 N 0.56 0.10 -0.58 1.92 6.56 -1.97 -2.78 116.57 120.37 3gqy h LYS 261 Ca -0.00 -0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 59.46 3gqy h LYS 261 Cb 1.20 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.79 3gqy h LYS 261 CO 0.13 0.34 0.12 0.41 -2.06 0.00 0.00 179.45 178.38 3gqy n GLY 262 N -0.73 3.57 0.23 3.86 0.00 -0.77 -4.70 105.19 106.65 3gqy n GLY 262 Ca -0.02 -1.00 0.03 0.00 0.00 0.00 0.00 46.02 45.03 3gqy n GLY 262 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gqy h LYS 263 N 2.91 0.18 -0.16 1.61 2.10 -1.12 -2.08 116.57 120.01 3gqy h LYS 263 Ca 0.13 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3gqy h LYS 263 Cb 2.04 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 3gqy h LYS 263 CO 0.55 0.36 0.00 0.09 -2.00 0.00 0.00 179.45 178.45 3gqy n ASN 264 N -4.25 1.74 -4.67 7.07 3.02 -1.26 -4.86 115.26 112.04 3gqy n ASN 264 Ca -0.01 -1.71 -0.41 0.00 -0.03 0.00 0.00 54.58 52.42 3gqy n ASN 264 Cb 0.29 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 3gqy n ASN 264 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqy s ILE 265 N -1.80 4.88 0.15 2.41 1.01 -0.78 -4.97 121.20 122.10 3gqy s ILE 265 Ca 0.33 1.61 -0.30 0.00 0.00 0.00 0.00 60.65 62.29 3gqy s ILE 265 Cb 0.18 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 3gqy s ILE 265 CO 0.27 0.01 1.18 -0.54 0.00 0.00 0.00 174.94 175.86 3gqy s LYS 266 N 2.25 4.50 -0.35 2.79 -0.14 -0.99 -4.83 119.74 122.97 3gqy s LYS 266 Ca 0.37 1.81 -0.12 0.00 -1.36 0.00 0.00 55.97 56.67 3gqy s LYS 266 Cb -0.16 -3.28 -0.00 0.00 -1.68 0.00 0.00 37.83 32.71 3gqy s LYS 266 CO 0.11 -0.09 0.23 0.42 -0.76 0.00 0.00 175.35 175.26 3gqy s ILE 267 N 0.18 5.01 -0.33 2.17 1.01 -1.26 -0.47 121.20 127.51 3gqy s ILE 267 Ca 0.53 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.62 3gqy s ILE 267 Cb -0.31 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 3gqy s ILE 267 CO 0.34 -0.08 0.21 -0.63 0.00 0.00 0.00 174.94 174.78 3gqy s ILE 268 N 1.66 5.08 -0.12 2.92 -1.09 0.47 -0.47 121.20 129.65 3gqy s ILE 268 Ca 0.05 -0.25 -0.27 0.00 -2.23 0.00 0.00 60.65 57.95 3gqy s ILE 268 Cb -0.18 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.09 3gqy s ILE 268 CO 0.09 0.03 0.88 -0.44 -1.23 0.00 0.00 174.94 174.27 3gqy s SER 269 N 1.69 7.10 -0.23 3.58 0.01 -0.55 -0.88 113.70 124.42 3gqy s SER 269 Ca 0.06 1.34 -0.20 0.00 1.31 0.00 0.00 55.95 58.46 3gqy s SER 269 Cb -0.17 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 3gqy s SER 269 CO 0.09 -0.36 0.63 -0.54 0.41 0.00 0.00 173.24 173.47 3gqy s LYS 270 N 1.79 4.15 -0.41 12.44 1.02 -0.31 -0.98 119.74 137.44 3gqy s LYS 270 Ca 0.43 0.57 -0.17 0.00 0.02 0.00 0.00 55.97 56.82 3gqy s LYS 270 Cb -0.18 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.53 3gqy s LYS 270 CO 0.17 -0.34 0.42 0.42 -0.92 0.00 0.00 175.35 175.10 3gqy s ILE 271 N 2.24 5.11 -0.01 2.17 -1.09 -0.42 -2.43 121.20 126.78 3gqy s ILE 271 Ca 0.27 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.37 3gqy s ILE 271 Cb -0.16 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 3gqy s ILE 271 CO 0.09 -0.38 0.72 -0.62 -1.23 0.00 0.00 174.94 173.53 3gqy n GLU 272 N 5.54 0.38 -3.99 2.79 1.02 -1.26 -2.42 120.64 122.70 3gqy n GLU 272 Ca -0.08 -0.85 -0.09 0.00 -0.02 0.00 0.00 57.16 56.12 3gqy n GLU 272 Cb 0.48 -0.60 -0.05 0.00 -0.02 0.00 0.00 31.44 31.24 3gqy n GLU 272 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gqy s ASN 273 N -0.53 -0.07 0.18 1.62 2.20 -1.26 -2.93 114.94 114.15 3gqy s ASN 273 Ca 0.02 -0.94 -0.11 0.00 -0.94 0.00 0.00 52.86 50.89 3gqy s ASN 273 Cb 0.01 0.60 0.09 0.00 -2.00 0.00 0.00 41.25 39.95 3gqy s ASN 273 CO 0.00 -1.16 1.72 -0.74 -2.94 0.00 0.00 177.10 173.98 3gqy h HIS 274 N 2.24 1.00 -0.79 1.54 -0.00 -1.92 -2.52 115.15 114.70 3gqy h HIS 274 Ca -0.26 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 59.99 3gqy h HIS 274 Cb 1.25 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 28.33 3gqy h HIS 274 CO 0.44 0.81 0.37 1.49 -0.00 0.00 0.00 177.93 181.04 3gqy h GLU 275 N 0.91 1.14 -0.97 5.26 4.81 -1.95 -0.64 114.58 123.14 3gqy h GLU 275 Ca 0.21 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3gqy h GLU 275 Cb 0.26 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 3gqy h GLU 275 CO -0.01 0.89 0.64 0.78 -0.73 0.00 0.00 179.01 180.57 3gqy h GLY 276 N 1.16 1.41 0.59 1.92 0.00 -1.56 -0.66 103.07 105.93 3gqy h GLY 276 Ca 0.27 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3gqy h GLY 276 CO -0.03 0.42 -0.02 -2.08 0.00 0.00 0.00 176.54 174.83 3gqy h VAL 277 N 1.22 1.35 -0.71 4.60 2.07 -1.08 -2.52 116.25 121.19 3gqy h VAL 277 Ca 0.39 -1.06 0.13 0.00 0.82 0.00 0.00 66.70 66.98 3gqy h VAL 277 Cb 0.01 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.68 3gqy h VAL 277 CO -0.12 0.28 0.24 0.03 0.02 0.00 0.00 177.57 178.02 3gqy h ARG 278 N -0.36 0.37 -0.74 1.57 3.08 -0.80 -2.36 114.38 115.13 3gqy h ARG 278 Ca 0.01 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 3gqy h ARG 278 Cb 0.47 -0.08 -0.17 0.00 0.08 0.00 0.00 29.97 30.27 3gqy h ARG 278 CO 0.00 0.24 0.32 0.54 -1.07 0.00 0.00 179.97 180.01 3gqy n ARG 279 N -5.05 3.14 -0.31 0.04 1.74 -0.28 -4.68 116.66 111.25 3gqy n ARG 279 Ca 0.13 -3.07 -0.01 0.00 -0.77 0.00 0.00 57.85 54.13 3gqy n ARG 279 Cb 0.39 -2.15 0.12 0.00 -1.02 0.00 0.00 32.46 29.80 3gqy n ARG 279 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3gqy h PHE 280 N 2.05 1.00 -0.41 -1.55 3.57 -0.95 -2.45 116.94 118.20 3gqy h PHE 280 Ca 0.34 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.89 3gqy h PHE 280 Cb 2.36 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 40.74 3gqy h PHE 280 CO 1.30 0.55 0.23 -0.44 -2.23 0.00 0.00 178.31 177.72 3gqy h ASP 281 N 1.02 0.36 0.09 0.41 3.32 -1.85 0.11 116.42 119.87 3gqy h ASP 281 Ca 0.35 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.28 3gqy h ASP 281 Cb 0.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3gqy h ASP 281 CO -0.14 0.26 -0.46 1.05 -1.72 0.00 0.00 179.24 178.23 3gqy h GLU 282 N 0.46 0.45 -0.13 3.56 4.11 -1.90 -2.20 114.58 118.93 3gqy h GLU 282 Ca 0.17 -0.24 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 3gqy h GLU 282 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3gqy h GLU 282 CO -0.09 0.82 0.06 0.82 0.07 0.00 0.00 179.01 180.69 3gqy h ILE 283 N 0.36 1.13 -0.50 -1.06 2.04 -0.96 -2.67 117.51 115.86 3gqy h ILE 283 Ca 0.02 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.54 3gqy h ILE 283 Cb 0.95 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3gqy h ILE 283 CO 0.08 0.12 0.28 0.25 0.00 0.00 0.00 178.15 178.88 3gqy h LEU 284 N 0.08 0.44 -0.69 1.44 5.85 -0.70 -1.45 115.31 120.28 3gqy h LEU 284 Ca 0.05 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3gqy h LEU 284 Cb 0.13 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3gqy h LEU 284 CO -0.01 0.31 0.35 -0.08 -0.34 0.00 0.00 178.44 178.67 3gqy h GLU 285 N 0.55 0.60 0.00 1.25 4.22 -1.34 -2.31 114.58 117.55 3gqy h GLU 285 Ca 0.21 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.61 3gqy h GLU 285 Cb 0.06 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3gqy h GLU 285 CO -0.11 0.40 0.00 0.00 -2.18 0.00 0.00 179.01 177.12 3gqy h ALA 286 N 1.40 1.00 -1.90 2.92 0.00 -1.09 -3.47 119.26 118.12 3gqy h ALA 286 Ca 0.33 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.79 3gqy h ALA 286 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gqy h ALA 286 CO -0.24 0.00 -0.34 -1.12 0.00 0.00 0.00 179.25 177.55 3gqy s SER 287 N -5.71 6.04 0.16 0.00 0.01 -0.59 -4.89 113.70 108.72 3gqy s SER 287 Ca 0.07 -0.10 0.24 0.00 1.31 0.00 0.00 55.95 57.48 3gqy s SER 287 Cb 0.07 -1.39 0.40 0.00 0.21 0.00 0.00 66.02 65.31 3gqy s SER 287 CO 0.63 -0.38 1.40 0.44 0.41 0.00 0.00 173.24 175.74 3gqy h ASP 288 N 0.91 0.00 -1.46 2.44 3.32 -1.05 -3.48 116.42 117.11 3gqy h ASP 288 Ca -0.47 -0.14 0.29 0.00 0.02 0.00 0.00 57.03 56.73 3gqy h ASP 288 Cb 1.25 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.75 3gqy h ASP 288 CO 0.55 0.07 0.72 0.61 -1.72 0.00 0.00 179.24 179.47 3gqy n GLY 289 N 1.30 0.20 3.04 2.75 0.00 -1.11 -4.09 105.19 107.28 3gqy n GLY 289 Ca 0.03 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 3gqy n GLY 289 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqy s ILE 290 N -2.01 0.61 -0.15 -0.61 -1.09 -0.37 -1.48 121.20 116.10 3gqy s ILE 290 Ca 0.23 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 3gqy s ILE 290 Cb -0.00 -0.59 -0.01 0.00 -1.58 0.00 0.00 42.46 40.28 3gqy s ILE 290 CO -0.02 -0.12 -0.14 -0.32 -1.23 0.00 0.00 174.94 173.11 3gqy s MET 291 N -0.95 3.28 -0.76 2.79 -2.45 -0.15 -0.81 119.30 120.24 3gqy s MET 291 Ca -0.03 -0.73 -0.26 0.00 -1.25 0.00 0.00 55.69 53.42 3gqy s MET 291 Cb -0.07 -2.63 0.04 0.00 1.25 0.00 0.00 34.83 33.42 3gqy s MET 291 CO 0.00 0.08 1.25 0.08 1.05 0.00 0.00 175.02 177.49 3gqy s VAL 292 N 0.67 3.84 -1.21 10.11 1.01 0.34 -1.30 120.40 133.87 3gqy s VAL 292 Ca -0.07 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3gqy s VAL 292 Cb -0.16 -4.90 0.20 0.00 0.00 0.00 0.00 36.38 31.52 3gqy s VAL 292 CO 0.02 -1.81 1.53 0.00 0.00 0.00 0.00 175.10 174.84 3gqy n ALA 293 N 9.05 4.50 0.30 5.51 0.00 -1.01 -2.18 120.51 136.67 3gqy n ALA 293 Ca 0.06 -4.38 0.19 0.00 0.00 0.00 0.00 53.44 49.31 3gqy n ALA 293 Cb 0.49 -2.88 0.89 0.00 0.00 0.00 0.00 19.45 17.94 3gqy n ALA 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqy h ARG 294 N 6.48 0.00 0.19 0.00 3.08 -1.81 -2.78 114.38 119.54 3gqy h ARG 294 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 3gqy h ARG 294 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3gqy h ARG 294 CO 1.34 0.01 -0.15 0.78 -1.07 0.00 0.00 179.97 180.87 3gqy h GLY 295 N 1.26 -0.74 1.50 0.04 0.00 -1.87 0.01 103.07 103.27 3gqy h GLY 295 Ca -0.00 0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 3gqy h GLY 295 CO 0.00 -0.26 -0.43 -0.55 0.00 0.00 0.00 176.54 175.30 3gqy h ASP 296 N -0.33 0.58 -0.72 0.19 3.45 -1.84 -3.14 116.42 114.61 3gqy h ASP 296 Ca -0.02 -0.27 0.12 0.00 0.43 0.00 0.00 57.03 57.29 3gqy h ASP 296 Cb 0.27 -0.16 -0.08 0.00 -0.56 0.00 0.00 39.33 38.79 3gqy h ASP 296 CO 0.00 0.93 0.30 0.25 -1.57 0.00 0.00 179.24 179.16 3gqy h LEU 297 N 0.44 0.32 0.00 1.55 5.85 -1.37 0.72 115.31 122.82 3gqy h LEU 297 Ca 0.03 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3gqy h LEU 297 Cb 0.93 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3gqy h LEU 297 CO 0.08 0.15 0.00 0.61 -0.34 0.00 0.00 178.44 178.94 3gqy n GLY 298 N -1.31 -0.82 0.12 3.75 0.00 -0.01 -1.14 105.19 105.77 3gqy n GLY 298 Ca 0.12 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3gqy n GLY 298 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gqy n ILE 299 N -1.01 1.26 0.01 -0.61 5.41 -0.12 -3.74 119.36 120.55 3gqy n ILE 299 Ca 0.19 -0.48 -0.06 0.00 1.00 0.00 0.00 62.75 63.40 3gqy n ILE 299 Cb 0.09 -1.30 0.12 0.00 -0.71 0.00 0.00 39.64 37.85 3gqy n ILE 299 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3gqy h GLU 300 N -0.03 0.52 -6.11 0.38 4.39 -0.73 -3.44 114.58 109.55 3gqy h GLU 300 Ca -0.50 -0.26 -0.61 0.00 0.34 0.00 0.00 59.36 58.34 3gqy h GLU 300 Cb 1.75 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.27 3gqy h GLU 300 CO -0.09 0.83 -0.72 0.96 -1.16 0.00 0.00 179.01 178.84 3gqy s ILE 301 N -4.24 2.46 0.26 3.13 -4.36 -0.30 -4.76 121.20 113.40 3gqy s ILE 301 Ca -0.07 -2.29 -0.31 0.00 -0.26 0.00 0.00 60.65 57.73 3gqy s ILE 301 Cb 0.13 -2.48 -0.13 0.00 1.25 0.00 0.00 42.46 41.23 3gqy s ILE 301 CO 0.82 -0.32 1.39 -2.65 0.24 0.00 0.00 174.94 174.42 3gqy n PRO 302 N -0.71 2.08 -0.14 0.37 -0.02 -1.26 -4.45 135.00 130.86 3gqy n PRO 302 Ca -0.05 0.74 0.16 0.00 -2.02 0.00 0.00 63.50 62.33 3gqy n PRO 302 Cb 0.61 -2.39 0.53 0.00 -0.02 0.00 0.00 33.50 32.24 3gqy n PRO 302 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqy h ALA 303 N 3.95 2.18 0.00 3.55 0.00 -1.91 -0.83 119.26 126.20 3gqy h ALA 303 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gqy h ALA 303 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gqy h ALA 303 CO 0.74 -0.38 0.00 -0.85 0.00 0.00 0.00 179.25 178.76 3gqy n GLU 304 N -4.46 0.15 0.00 0.00 0.00 -1.26 -2.55 120.64 112.52 3gqy n GLU 304 Ca 0.14 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.80 3gqy n GLU 304 Cb 0.55 -1.79 0.12 0.00 0.00 0.00 0.00 31.44 30.32 3gqy n GLU 304 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3gqy n LYS 305 N -2.07 1.16 -0.30 3.44 5.02 -0.32 -4.52 118.16 120.57 3gqy n LYS 305 Ca 0.02 -0.89 -0.05 0.00 -2.02 0.00 0.00 58.31 55.37 3gqy n LYS 305 Cb 0.22 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.82 3gqy n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gqy h VAL 306 N 2.17 1.24 -0.53 -0.18 2.07 -1.57 -2.32 116.25 117.13 3gqy h VAL 306 Ca 0.00 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3gqy h VAL 306 Cb 0.69 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3gqy h VAL 306 CO 0.00 0.28 0.35 2.19 0.02 0.00 0.00 177.57 180.41 3gqy h PHE 307 N 1.13 0.65 0.02 1.57 -5.15 -1.81 0.22 116.94 113.57 3gqy h PHE 307 Ca 0.28 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 58.07 3gqy h PHE 307 Cb 0.06 -0.22 0.00 0.00 0.22 0.00 0.00 35.95 36.01 3gqy h PHE 307 CO 0.01 0.41 -0.01 -0.07 -2.00 0.00 0.00 178.31 176.64 3gqy h LEU 308 N 0.70 -0.02 -0.51 2.10 3.38 -1.73 -0.20 115.31 119.03 3gqy h LEU 308 Ca 0.20 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3gqy h LEU 308 Cb -0.05 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3gqy h LEU 308 CO -0.05 0.13 0.34 0.00 0.09 0.00 0.00 178.44 178.95 3gqy h ALA 309 N 0.81 0.65 0.12 1.53 0.00 -1.01 -0.66 119.26 120.70 3gqy h ALA 309 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gqy h ALA 309 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gqy h ALA 309 CO 0.00 0.08 -0.09 0.37 0.00 0.00 0.00 179.25 179.62 3gqy h GLN 310 N 0.68 -0.21 -0.47 0.00 4.15 -0.50 -1.02 115.11 117.74 3gqy h GLN 310 Ca 0.19 0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.52 3gqy h GLN 310 Cb -0.07 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3gqy h GLN 310 CO -0.05 -0.14 -0.14 0.87 -1.93 0.00 0.00 178.83 177.45 3gqy h LYS 311 N -0.22 0.88 -0.02 1.69 1.57 -0.91 -0.85 116.57 118.70 3gqy h LYS 311 Ca -0.01 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3gqy h LYS 311 Cb 0.20 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3gqy h LYS 311 CO -0.00 0.96 -0.03 1.98 -0.57 0.00 0.00 179.45 181.78 3gqy h MET 312 N 0.78 -0.04 -0.53 3.15 4.05 -1.03 -0.79 114.93 120.52 3gqy h MET 312 Ca 0.12 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 3gqy h MET 312 Cb 0.66 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3gqy h MET 312 CO 0.05 -0.03 -0.00 0.52 0.23 0.00 0.00 176.91 177.68 3gqy h MET 313 N -0.04 0.93 -0.56 0.39 2.86 -0.94 -0.42 114.93 117.14 3gqy h MET 313 Ca 0.02 -0.30 -0.04 0.00 -2.06 0.00 0.00 59.70 57.32 3gqy h MET 313 Cb 0.07 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3gqy h MET 313 CO -0.05 0.95 0.19 0.82 1.06 0.00 0.00 176.91 179.88 3gqy h ILE 314 N 0.80 1.23 -0.01 -1.22 2.04 -1.11 -0.55 117.51 118.69 3gqy h ILE 314 Ca 0.15 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.25 3gqy h ILE 314 Cb 0.53 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3gqy h ILE 314 CO 0.03 0.29 -0.07 1.23 0.00 0.00 0.00 178.15 179.63 3gqy h GLY 315 N 0.78 -0.06 1.49 5.37 0.00 -0.85 0.15 103.07 109.95 3gqy h GLY 315 Ca 0.18 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 3gqy h GLY 315 CO -0.01 -0.08 -0.15 3.21 0.00 0.00 0.00 176.54 179.51 3gqy h ARG 316 N -0.12 0.60 -0.31 4.80 3.08 -0.96 -0.00 114.38 121.47 3gqy h ARG 316 Ca 0.03 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.84 3gqy h ARG 316 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3gqy h ARG 316 CO -0.08 0.73 -0.01 0.00 -1.07 0.00 0.00 179.97 179.54 3gqy h ASN 318 N 0.35 0.47 -0.68 0.00 -0.26 -0.40 0.21 115.58 115.26 3gqy h ASN 318 Ca 0.09 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.88 3gqy h ASN 318 Cb 0.45 -0.05 -0.04 0.00 -1.06 0.00 0.00 38.32 37.62 3gqy h ASN 318 CO 0.02 0.30 0.44 -0.09 -1.06 0.00 0.00 177.43 177.04 3gqy h ARG 319 N 0.61 0.86 -0.00 0.81 2.43 -0.86 -2.71 114.38 115.51 3gqy h ARG 319 Ca 0.29 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3gqy h ARG 319 Cb 0.23 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3gqy h ARG 319 CO -0.20 0.57 -0.21 0.00 -1.51 0.00 0.00 179.97 178.62 3gqy n ALA 320 N -2.30 2.83 -1.92 2.80 0.00 -0.41 -4.95 120.51 116.57 3gqy n ALA 320 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.22 3gqy n ALA 320 Cb 0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.16 3gqy n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqy n GLY 321 N 1.50 0.28 3.46 0.00 0.00 0.65 -5.04 105.19 106.03 3gqy n GLY 321 Ca 0.07 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 3gqy n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqy s LYS 322 N -3.96 2.44 0.27 1.61 1.02 -0.68 -4.93 119.74 115.51 3gqy s LYS 322 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 3gqy s LYS 322 Cb 0.00 -2.33 -0.13 0.00 -0.52 0.00 0.00 37.83 34.85 3gqy s LYS 322 CO 0.00 0.61 1.35 -2.30 -0.92 0.00 0.00 175.35 174.09 3gqy n PRO 323 N 2.29 2.02 -4.75 -1.68 -0.02 -1.26 -4.43 135.00 127.17 3gqy n PRO 323 Ca -0.17 0.71 -0.25 0.00 -2.02 0.00 0.00 63.50 61.78 3gqy n PRO 323 Cb 0.52 -2.33 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 3gqy n PRO 323 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gqy s VAL 324 N -0.40 1.29 -0.13 -1.45 0.11 -1.26 -1.24 120.40 117.32 3gqy s VAL 324 Ca 0.64 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3gqy s VAL 324 Cb -0.63 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.10 3gqy s VAL 324 CO 0.54 0.37 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.93 3gqy s ILE 325 N -0.08 3.17 -0.18 7.04 1.01 0.01 -1.09 121.20 131.08 3gqy s ILE 325 Ca -0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 3gqy s ILE 325 Cb -0.09 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3gqy s ILE 325 CO 0.01 0.52 0.36 0.00 0.00 0.00 0.00 174.94 175.83 3gqy s ALA 327 N 0.97 1.27 0.00 0.00 0.00 -0.93 -2.30 121.76 120.77 3gqy s ALA 327 Ca 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3gqy s ALA 327 Cb -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3gqy s ALA 327 CO 0.07 0.15 0.00 2.41 0.00 0.00 0.00 175.76 178.39 3gqy n THR 328 N 1.09 -1.18 -1.74 0.00 -1.04 -1.26 -3.57 114.28 106.58 3gqy n THR 328 Ca -0.20 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.63 3gqy n THR 328 Cb 0.55 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 67.81 3gqy n THR 328 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gqy n GLN 329 N 1.23 -1.34 -0.27 -2.82 6.02 -1.26 -4.81 117.38 114.13 3gqy n GLN 329 Ca 0.00 1.09 -0.04 0.00 -0.01 0.00 0.00 57.00 58.04 3gqy n GLN 329 Cb 0.00 -5.45 0.11 0.00 1.02 0.00 0.00 30.24 25.93 3gqy n GLN 329 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3gqy h MET 330 N 0.00 1.13 -1.00 -1.09 2.86 -1.88 -3.16 114.93 111.79 3gqy h MET 330 Ca -0.40 -0.18 -0.43 0.00 -2.06 0.00 0.00 59.70 56.64 3gqy h MET 330 Cb 1.24 -0.20 -0.41 0.00 0.06 0.00 0.00 31.60 32.29 3gqy h MET 330 CO 0.55 0.89 -0.99 1.28 1.06 0.00 0.00 176.91 179.70 3gqy n LEU 331 N -4.30 2.95 -0.33 1.22 4.77 -1.26 -4.52 117.00 115.53 3gqy n LEU 331 Ca 0.07 -4.17 0.01 0.00 -0.03 0.00 0.00 56.01 51.90 3gqy n LEU 331 Cb 0.15 0.06 0.15 0.00 -2.33 0.00 0.00 43.42 41.46 3gqy n LEU 331 CO 0.40 1.74 1.21 -0.08 -1.33 0.00 0.00 177.39 179.33 3gqy h GLU 332 N 2.68 0.99 -0.11 3.23 4.57 -1.95 -0.65 114.58 123.34 3gqy h GLU 332 Ca 0.08 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 3gqy h GLU 332 Cb 1.18 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3gqy h GLU 332 CO 0.58 0.66 0.15 0.66 -1.18 0.00 0.00 179.01 179.88 3gqy h SER 333 N 1.02 0.00 0.22 1.04 4.64 -1.93 -1.83 113.55 116.72 3gqy h SER 333 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3gqy h SER 333 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3gqy h SER 333 CO -0.18 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.01 3gqy n MET 334 N -3.62 0.49 -0.10 4.77 2.81 -0.25 -1.24 117.12 119.98 3gqy n MET 334 Ca -0.00 0.04 0.02 0.00 -1.81 0.00 0.00 57.70 55.95 3gqy n MET 334 Cb 0.25 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.59 3gqy n MET 334 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3gqy h ILE 335 N 0.00 1.15 0.00 2.02 2.04 -1.50 -3.34 117.51 117.89 3gqy h ILE 335 Ca 0.00 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3gqy h ILE 335 Cb 0.11 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3gqy h ILE 335 CO 0.00 0.16 -1.26 0.29 0.00 0.00 0.00 178.15 177.34 3gqy n LYS 336 N -4.43 0.91 -4.55 2.37 4.01 -0.79 -0.88 118.16 114.80 3gqy n LYS 336 Ca 0.05 -0.04 -0.30 0.00 -0.51 0.00 0.00 58.31 57.52 3gqy n LYS 336 Cb 0.06 -1.12 -0.13 0.00 -0.51 0.00 0.00 35.03 33.33 3gqy n LYS 336 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3gqy s LYS 337 N -2.30 1.72 0.00 1.97 3.01 -0.37 -4.93 119.74 118.84 3gqy s LYS 337 Ca -0.02 -1.18 0.22 0.00 -1.01 0.00 0.00 55.97 53.98 3gqy s LYS 337 Cb 0.03 -2.03 0.93 0.00 -1.01 0.00 0.00 37.83 35.75 3gqy s LYS 337 CO 0.21 0.49 1.69 -0.35 0.51 0.00 0.00 175.35 177.91 3gqy n PRO 338 N 1.22 0.02 -4.12 -1.68 -0.04 -1.26 -4.10 135.00 125.03 3gqy n PRO 338 Ca -0.17 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 3gqy n PRO 338 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3gqy n PRO 338 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gqy s ARG 339 N -2.98 0.68 0.57 0.54 0.52 -1.26 -4.92 118.95 112.10 3gqy s ARG 339 Ca 0.11 -0.84 -0.03 0.00 -0.52 0.00 0.00 55.73 54.45 3gqy s ARG 339 Cb 0.14 -0.57 0.02 0.00 0.52 0.00 0.00 34.95 35.07 3gqy s ARG 339 CO 0.39 0.12 0.84 -1.25 0.02 0.00 0.00 175.30 175.41 3gqy s PRO 340 N -1.62 2.75 0.89 3.54 0.04 -1.26 -4.56 135.00 134.78 3gqy s PRO 340 Ca -0.06 -0.33 -0.13 0.00 0.04 0.00 0.00 61.00 60.52 3gqy s PRO 340 Cb -0.10 -2.37 0.13 0.00 0.04 0.00 0.00 34.50 32.20 3gqy s PRO 340 CO 0.01 -0.69 1.16 0.95 0.04 0.00 0.00 177.00 178.48 3gqy s THR 341 N -2.88 1.99 0.24 1.26 -4.23 -1.26 -4.90 115.64 105.86 3gqy s THR 341 Ca 0.54 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.11 3gqy s THR 341 Cb -0.10 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.86 3gqy s THR 341 CO 0.42 0.00 1.56 0.03 -0.54 0.00 0.00 174.62 176.09 3gqy h ARG 342 N -1.41 0.18 -0.37 3.99 2.47 -1.99 -2.31 114.38 114.94 3gqy h ARG 342 Ca -0.49 -0.13 -0.08 0.00 -1.26 0.00 0.00 59.98 58.03 3gqy h ARG 342 Cb 1.32 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.65 3gqy h ARG 342 CO 0.61 0.75 -0.09 0.00 0.56 0.00 0.00 179.97 181.80 3gqy h ALA 343 N 1.22 1.17 -0.15 0.04 0.00 -1.98 -1.80 119.26 117.76 3gqy h ALA 343 Ca -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3gqy h ALA 343 Cb 1.13 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gqy h ALA 343 CO 0.09 0.53 -0.07 0.93 0.00 0.00 0.00 179.25 180.73 3gqy h GLU 344 N 0.58 0.31 -0.51 0.00 5.08 -1.73 0.43 114.58 118.74 3gqy h GLU 344 Ca 0.11 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3gqy h GLU 344 Cb 0.50 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 3gqy h GLU 344 CO 0.03 0.64 0.16 0.78 -1.00 0.00 0.00 179.01 179.62 3gqy h GLY 345 N -0.02 0.66 1.00 -3.84 0.00 -1.34 -1.93 103.07 97.61 3gqy h GLY 345 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3gqy h GLY 345 CO 0.02 -0.01 0.34 0.23 0.00 0.00 0.00 176.54 177.12 3gqy h SER 346 N 0.33 0.61 -0.47 0.19 0.87 -1.20 -2.54 113.55 111.34 3gqy h SER 346 Ca 0.25 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3gqy h SER 346 Cb 0.29 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 3gqy h SER 346 CO -0.27 0.45 0.29 -0.78 -0.53 0.00 0.00 176.83 175.99 3gqy h ASP 347 N 0.71 0.56 -0.05 6.23 3.58 -0.19 -0.38 116.42 126.88 3gqy h ASP 347 Ca 0.19 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 3gqy h ASP 347 Cb -0.07 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 3gqy h ASP 347 CO -0.04 0.44 0.02 0.58 -2.88 0.00 0.00 179.24 177.36 3gqy h VAL 348 N 0.62 1.11 -0.53 2.25 2.07 -1.31 -1.04 116.25 119.41 3gqy h VAL 348 Ca 0.17 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3gqy h VAL 348 Cb -0.02 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3gqy h VAL 348 CO -0.03 0.09 0.27 0.00 0.02 0.00 0.00 177.57 177.91 3gqy h ALA 349 N 0.90 0.68 -0.03 1.67 0.00 -1.22 -2.52 119.26 118.73 3gqy h ALA 349 Ca 0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3gqy h ALA 349 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3gqy h ALA 349 CO -0.00 -0.08 -0.53 -0.91 0.00 0.00 0.00 179.25 177.73 3gqy h ASN 350 N 0.52 0.10 -0.65 0.00 2.35 -0.96 -0.95 115.58 115.99 3gqy h ASN 350 Ca 0.24 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3gqy h ASN 350 Cb 0.15 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3gqy h ASN 350 CO -0.17 0.61 0.32 0.00 -1.65 0.00 0.00 177.43 176.54 3gqy h ALA 351 N 1.39 0.83 -0.13 -0.83 0.00 -0.82 0.26 119.26 119.97 3gqy h ALA 351 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gqy h ALA 351 Cb 0.96 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3gqy h ALA 351 CO 0.07 0.39 0.04 0.28 0.00 0.00 0.00 179.25 180.03 3gqy h VAL 352 N 0.89 1.18 -0.20 0.00 2.07 -1.12 -2.03 116.25 117.03 3gqy h VAL 352 Ca 0.22 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 3gqy h VAL 352 Cb 0.11 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3gqy h VAL 352 CO -0.03 0.17 -0.02 -0.07 0.02 0.00 0.00 177.57 177.64 3gqy h LEU 353 N 0.02 0.27 -1.55 2.57 3.38 -0.98 -0.95 115.31 118.08 3gqy h LEU 353 Ca 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gqy h LEU 353 Cb 0.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3gqy h LEU 353 CO -0.00 0.34 0.24 0.44 0.09 0.00 0.00 178.44 179.55 3gqy h ASP 354 N 0.29 0.47 0.00 -0.43 3.32 -0.37 -3.47 116.42 116.24 3gqy h ASP 354 Ca 0.07 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3gqy h ASP 354 Cb 0.23 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3gqy h ASP 354 CO 0.01 0.37 0.00 0.61 -1.72 0.00 0.00 179.24 178.51 3gqy n GLY 355 N -1.39 1.66 3.74 2.75 0.00 -0.36 -4.70 105.19 106.88 3gqy n GLY 355 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gqy n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqy s ALA 356 N -2.00 3.66 0.15 4.61 0.00 -0.78 -4.88 121.76 122.51 3gqy s ALA 356 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3gqy s ALA 356 Cb 0.00 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3gqy s ALA 356 CO 0.00 -0.74 1.53 -0.44 0.00 0.00 0.00 175.76 176.11 3gqy h ASP 357 N 5.62 0.95 -4.52 0.00 3.32 -1.41 -3.44 116.42 116.94 3gqy h ASP 357 Ca -0.45 -0.40 -0.30 0.00 0.02 0.00 0.00 57.03 55.90 3gqy h ASP 357 Cb 1.21 -0.26 -0.18 0.00 0.22 0.00 0.00 39.33 40.32 3gqy h ASP 357 CO 0.82 1.14 -0.73 0.00 -1.72 0.00 0.00 179.24 178.74 3gqy s ILE 359 N -2.31 2.12 0.06 0.00 -4.36 -0.17 -1.61 121.20 114.93 3gqy s ILE 359 Ca 0.02 -2.07 0.05 0.00 -0.26 0.00 0.00 60.65 58.40 3gqy s ILE 359 Cb -0.04 -2.04 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 3gqy s ILE 359 CO -0.01 -0.28 -0.15 -0.32 0.24 0.00 0.00 174.94 174.43 3gqy s MET 360 N -2.94 0.88 -0.03 0.37 1.75 -0.97 -1.09 119.30 117.27 3gqy s MET 360 Ca 0.20 -0.91 0.07 0.00 -1.25 0.00 0.00 55.69 53.81 3gqy s MET 360 Cb -0.06 -0.91 -0.02 0.00 2.84 0.00 0.00 34.83 36.68 3gqy s MET 360 CO 0.09 0.21 -0.26 -0.51 -0.65 0.00 0.00 175.02 173.91 3gqy s LEU 361 N -1.56 2.05 0.00 4.11 1.43 0.19 -4.43 118.68 120.48 3gqy s LEU 361 Ca -0.00 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3gqy s LEU 361 Cb -0.09 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.79 3gqy s LEU 361 CO 0.02 0.30 0.00 -1.20 0.23 0.00 0.00 176.35 175.70 3gqy n SER 362 N 2.59 0.00 0.17 2.29 7.64 -1.26 -1.45 113.62 123.61 3gqy n SER 362 Ca -0.16 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.84 3gqy n SER 362 Cb 0.51 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 64.38 3gqy n SER 362 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3gqy h GLY 363 N 0.00 0.00 0.53 0.23 0.00 -1.97 -0.34 103.07 101.52 3gqy h GLY 363 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 3gqy h GLY 363 CO 0.00 0.00 0.57 0.83 0.00 0.00 0.00 176.54 177.94 3gqy h GLU 364 N 0.00 0.65 0.00 4.80 3.07 -1.90 -1.03 114.58 120.18 3gqy h GLU 364 Ca 0.09 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 3gqy h GLU 364 Cb 0.35 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 3gqy h GLU 364 CO -0.00 0.43 -1.79 0.25 -1.40 0.00 0.00 179.01 176.50 3gqy n THR 365 N -4.56 0.50 -0.03 1.13 -2.24 -0.93 -3.62 114.28 104.54 3gqy n THR 365 Ca 0.17 -0.46 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 3gqy n THR 365 Cb 0.48 -0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.33 3gqy n THR 365 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqy h ALA 366 N 0.94 0.11 0.00 6.98 0.00 -0.78 -3.33 119.26 123.18 3gqy h ALA 366 Ca -0.20 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3gqy h ALA 366 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3gqy h ALA 366 CO 0.01 0.20 -0.03 0.36 0.00 0.00 0.00 179.25 179.79 3gqy n LYS 367 N -4.40 2.37 -1.26 0.00 2.85 -0.88 -1.10 118.16 115.74 3gqy n LYS 367 Ca -0.09 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.89 3gqy n LYS 367 Cb 0.53 -0.21 0.17 0.00 -0.65 0.00 0.00 35.03 34.87 3gqy n LYS 367 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gqy s GLY 368 N -0.34 1.57 0.08 2.58 0.00 -0.44 -4.71 107.32 106.05 3gqy s GLY 368 Ca 0.00 -0.46 0.27 0.00 0.00 0.00 0.00 44.72 44.53 3gqy s GLY 368 CO 0.00 0.16 1.80 1.22 0.00 0.00 0.00 173.10 176.28 3gqy n ASP 369 N -4.13 0.35 -3.02 1.64 8.00 -0.06 -4.33 116.55 115.01 3gqy n ASP 369 Ca 0.06 0.44 -0.18 0.00 0.71 0.00 0.00 54.79 55.82 3gqy n ASP 369 Cb 0.58 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 3gqy n ASP 369 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3gqy n TYR 370 N -1.79 1.08 -0.25 1.24 4.01 -1.25 -4.96 117.16 115.23 3gqy n TYR 370 Ca 0.06 -3.61 -0.04 0.00 -0.16 0.00 0.00 57.90 54.15 3gqy n TYR 370 Cb 0.38 -0.41 0.07 0.00 -0.31 0.00 0.00 39.34 39.07 3gqy n TYR 370 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gqy h PRO 371 N 2.98 0.89 -0.23 -0.72 0.13 -1.75 -1.78 132.00 131.51 3gqy h PRO 371 Ca 0.07 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.98 3gqy h PRO 371 Cb 0.94 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gqy h PRO 371 CO 0.56 0.59 -0.56 -0.07 -0.23 0.00 0.00 178.00 178.29 3gqy h LEU 372 N 0.91 0.77 -1.01 1.56 3.38 -1.93 -2.28 115.31 116.72 3gqy h LEU 372 Ca 0.27 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3gqy h LEU 372 Cb -0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3gqy h LEU 372 CO -0.08 1.17 0.12 -0.33 0.09 0.00 0.00 178.44 179.40 3gqy h GLU 373 N 0.53 0.83 -0.36 1.13 3.07 -1.91 -0.93 114.58 116.94 3gqy h GLU 373 Ca 0.01 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.58 3gqy h GLU 373 Cb 1.13 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.91 3gqy h GLU 373 CO 0.11 0.76 -0.22 0.00 -1.40 0.00 0.00 179.01 178.26 3gqy h ALA 374 N 1.33 0.52 -0.13 3.43 0.00 -1.09 -0.98 119.26 122.34 3gqy h ALA 374 Ca 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gqy h ALA 374 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3gqy h ALA 374 CO 0.00 0.49 0.05 0.28 0.00 0.00 0.00 179.25 180.07 3gqy h VAL 375 N 0.58 1.15 -0.92 0.00 2.07 -1.29 -1.93 116.25 115.91 3gqy h VAL 375 Ca 0.08 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.20 3gqy h VAL 375 Cb 0.78 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 3gqy h VAL 375 CO 0.06 0.14 0.60 0.03 0.02 0.00 0.00 177.57 178.42 3gqy h ARG 376 N 0.06 1.07 -0.31 1.57 3.08 -1.12 -1.52 114.38 117.20 3gqy h ARG 376 Ca 0.04 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3gqy h ARG 376 Cb 0.17 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3gqy h ARG 376 CO -0.00 0.71 -0.28 1.98 -1.07 0.00 0.00 179.97 181.30 3gqy h MET 377 N 1.10 0.73 -0.90 0.04 4.05 -1.03 -1.26 114.93 117.66 3gqy h MET 377 Ca 0.39 -0.38 -0.01 0.00 -0.28 0.00 0.00 59.70 59.42 3gqy h MET 377 Cb 0.12 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 3gqy h MET 377 CO -0.14 1.00 0.54 1.96 0.23 0.00 0.00 176.91 180.51 3gqy h GLN 378 N 0.49 1.22 -0.26 0.39 4.20 -1.00 -1.24 115.11 118.91 3gqy h GLN 378 Ca 0.05 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3gqy h GLN 378 Cb 0.85 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3gqy h GLN 378 CO 0.07 0.86 0.17 1.25 -0.67 0.00 0.00 178.83 180.51 3gqy h HIS 379 N 1.24 0.32 -0.44 2.96 2.76 -1.06 -0.95 115.15 119.99 3gqy h HIS 379 Ca 0.32 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.47 3gqy h HIS 379 Cb -0.05 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3gqy h HIS 379 CO 0.00 0.21 0.14 -0.07 -1.30 0.00 0.00 177.93 176.91 3gqy h LEU 380 N 0.35 0.64 -0.25 0.26 3.38 -0.87 -2.63 115.31 116.18 3gqy h LEU 380 Ca 0.09 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3gqy h LEU 380 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3gqy h LEU 380 CO -0.02 0.67 -0.19 0.40 0.09 0.00 0.00 178.44 179.39 3gqy h ILE 381 N 0.57 1.31 -0.67 1.22 2.04 -1.18 -2.66 117.51 118.14 3gqy h ILE 381 Ca 0.14 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.71 3gqy h ILE 381 Cb 0.26 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 3gqy h ILE 381 CO -0.00 0.41 0.40 0.00 0.00 0.00 0.00 178.15 178.96 3gqy h ALA 382 N 0.70 0.89 -0.42 1.87 0.00 -1.15 -0.37 119.26 120.77 3gqy h ALA 382 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3gqy h ALA 382 Cb 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3gqy h ALA 382 CO 0.05 0.13 0.02 -0.09 0.00 0.00 0.00 179.25 179.37 3gqy h ARG 383 N 0.77 0.72 -0.55 0.00 2.43 -1.46 0.64 114.38 116.94 3gqy h ARG 383 Ca 0.28 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3gqy h ARG 383 Cb 0.08 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3gqy h ARG 383 CO -0.13 0.79 0.35 0.93 -1.51 0.00 0.00 179.97 180.39 3gqy h GLU 384 N 0.57 0.74 -0.27 0.20 4.39 -1.09 -2.95 114.58 116.16 3gqy h GLU 384 Ca 0.12 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 3gqy h GLU 384 Cb 0.45 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3gqy h GLU 384 CO 0.02 0.52 -0.39 0.00 -1.16 0.00 0.00 179.01 178.00 3gqy h ALA 385 N 1.18 0.82 -0.79 3.43 0.00 -0.84 -2.95 119.26 120.11 3gqy h ALA 385 Ca 0.20 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gqy h ALA 385 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3gqy h ALA 385 CO -0.04 0.65 0.52 0.93 0.00 0.00 0.00 179.25 181.31 3gqy h GLU 386 N 0.52 1.02 0.00 0.00 5.08 -0.78 -1.30 114.58 119.12 3gqy h GLU 386 Ca 0.05 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3gqy h GLU 386 Cb 0.90 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3gqy h GLU 386 CO 0.08 0.67 -0.38 0.00 -1.00 0.00 0.00 179.01 178.38 3gqy h ALA 387 N 1.52 1.28 -0.01 3.43 0.00 -1.38 -3.18 119.26 120.92 3gqy h ALA 387 Ca 0.30 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gqy h ALA 387 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gqy h ALA 387 CO -0.07 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 3gqy n ALA 388 N -2.43 2.72 -1.77 0.00 0.00 -0.52 -4.52 120.51 114.00 3gqy n ALA 388 Ca -0.02 -0.30 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 3gqy n ALA 388 Cb 0.43 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.57 3gqy n ALA 388 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gqy s ILE 389 N -2.26 2.43 -1.17 0.00 1.01 -1.01 -4.94 121.20 115.25 3gqy s ILE 389 Ca 0.35 0.37 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 3gqy s ILE 389 Cb 0.21 -3.22 0.22 0.00 0.01 0.00 0.00 42.46 39.68 3gqy s ILE 389 CO 0.42 0.05 1.33 0.00 0.00 0.00 0.00 174.94 176.74 3gqy n TYR 390 N -0.09 4.93 -0.10 3.97 9.36 -1.26 -4.85 117.16 129.12 3gqy n TYR 390 Ca 0.05 -3.53 0.04 0.00 3.32 0.00 0.00 57.90 57.78 3gqy n TYR 390 Cb 0.43 -1.96 0.37 0.00 -0.63 0.00 0.00 39.34 37.55 3gqy n TYR 390 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3gqy h HIS 391 N 6.82 0.67 -0.09 2.98 3.86 -1.92 -1.89 115.15 125.58 3gqy h HIS 391 Ca 0.26 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.53 3gqy h HIS 391 Cb 0.85 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 29.04 3gqy h HIS 391 CO 0.97 0.40 -0.41 1.25 0.86 0.00 0.00 177.93 180.99 3gqy h LEU 392 N 0.70 -1.27 -0.22 2.43 5.85 -1.89 0.56 115.31 121.47 3gqy h LEU 392 Ca 0.23 0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.97 3gqy h LEU 392 Cb 0.04 0.51 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3gqy h LEU 392 CO -0.06 -0.43 -0.41 -0.61 -0.34 0.00 0.00 178.44 176.60 3gqy h GLN 393 N -0.51 0.67 -0.19 1.25 4.15 -1.91 -2.73 115.11 115.84 3gqy h GLN 393 Ca 0.07 -0.42 0.04 0.00 0.77 0.00 0.00 58.65 59.11 3gqy h GLN 393 Cb 0.63 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.33 3gqy h GLN 393 CO -0.37 1.04 -0.05 1.25 -1.93 0.00 0.00 178.83 178.77 3gqy h LEU 394 N 0.37 -0.18 -0.45 -2.39 5.85 -0.87 -0.34 115.31 117.31 3gqy h LEU 394 Ca 0.01 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3gqy h LEU 394 Cb 1.00 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3gqy h LEU 394 CO 0.09 -0.06 0.03 0.15 -0.34 0.00 0.00 178.44 178.31 3gqy h PHE 395 N -0.00 0.83 -0.66 1.25 -0.00 0.03 -1.15 116.94 117.24 3gqy h PHE 395 Ca 0.09 -0.13 0.05 0.00 -0.00 0.00 0.00 57.97 57.98 3gqy h PHE 395 Cb 0.14 -0.22 -0.05 0.00 -0.00 0.00 0.00 35.95 35.82 3gqy h PHE 395 CO -0.21 0.80 0.38 1.49 -0.00 0.00 0.00 178.31 180.77 3gqy h GLU 396 N 0.62 0.69 -0.08 1.11 4.57 -1.15 -1.25 114.58 119.10 3gqy h GLU 396 Ca 0.13 -0.04 -0.18 0.00 -1.18 0.00 0.00 59.36 58.09 3gqy h GLU 396 Cb 0.44 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 3gqy h GLU 396 CO 0.02 0.46 -0.72 0.93 -1.18 0.00 0.00 179.01 178.52 3gqy h GLU 397 N 0.71 0.40 -0.39 1.92 5.08 -0.85 -2.40 114.58 119.05 3gqy h GLU 397 Ca 0.29 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3gqy h GLU 397 Cb 0.14 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3gqy h GLU 397 CO -0.16 0.96 0.08 -0.07 -1.00 0.00 0.00 179.01 178.81 3gqy h LEU 398 N 0.27 0.61 -0.72 1.33 3.38 -0.90 0.36 115.31 119.64 3gqy h LEU 398 Ca -0.03 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.74 3gqy h LEU 398 Cb 1.29 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3gqy h LEU 398 CO 0.12 0.70 0.44 0.03 0.09 0.00 0.00 178.44 179.82 3gqy h ARG 399 N 0.49 0.80 -0.19 1.13 3.08 -1.22 -1.37 114.38 117.11 3gqy h ARG 399 Ca 0.12 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.99 3gqy h ARG 399 Cb 0.34 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gqy h ARG 399 CO 0.00 0.53 -0.41 0.00 -1.07 0.00 0.00 179.97 179.02 3gqy h ARG 400 N 0.82 0.61 0.00 0.04 3.08 -1.17 -3.08 114.38 114.69 3gqy h ARG 400 Ca 0.31 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3gqy h ARG 400 Cb 0.10 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gqy h ARG 400 CO -0.15 1.02 0.00 1.37 -1.07 0.00 0.00 179.97 181.15 3gqy h LEU 401 N 0.28 0.00 -9.53 3.04 -0.00 -0.87 -3.45 115.31 104.78 3gqy h LEU 401 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 3gqy h LEU 401 Cb 1.02 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.72 3gqy h LEU 401 CO 0.09 0.00 1.09 0.00 -0.00 0.00 0.00 178.44 179.62 3gqy n ALA 402 N -1.99 2.28 -1.69 0.17 0.00 -0.52 -4.94 120.51 113.82 3gqy n ALA 402 Ca 0.02 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 3gqy n ALA 402 Cb 0.33 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 3gqy n ALA 402 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3gqy n PRO 403 N 5.35 2.67 -2.57 0.00 -0.02 -1.26 -4.95 135.00 134.21 3gqy n PRO 403 Ca 0.18 0.97 -0.42 0.00 -2.02 0.00 0.00 63.50 62.21 3gqy n PRO 403 Cb 0.37 -2.85 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 3gqy n PRO 403 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gqy s ILE 404 N 2.67 4.30 0.05 4.25 -1.09 -1.26 -5.03 121.20 125.10 3gqy s ILE 404 Ca 0.83 1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 61.00 3gqy s ILE 404 Cb -0.52 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.20 3gqy s ILE 404 CO 0.39 0.19 -0.03 0.42 -1.23 0.00 0.00 174.94 174.68 3gqy s THR 405 N 0.59 0.27 -1.61 2.92 -4.23 -1.26 -5.02 115.64 107.30 3gqy s THR 405 Ca 0.53 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.39 3gqy s THR 405 Cb -0.26 -1.44 0.36 0.00 1.34 0.00 0.00 72.50 72.50 3gqy s THR 405 CO 0.30 -0.94 1.25 -1.54 -0.54 0.00 0.00 174.62 173.14 3gqy n SER 406 N 0.21 2.45 -4.63 3.99 3.41 -1.26 -4.92 113.62 112.87 3gqy n SER 406 Ca -0.15 -2.13 -0.43 0.00 -0.26 0.00 0.00 58.87 55.90 3gqy n SER 406 Cb 0.60 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3gqy n SER 406 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gqy s ASP 407 N -0.83 6.56 0.42 4.04 -1.08 -1.26 -4.92 116.67 119.59 3gqy s ASP 407 Ca 0.26 1.39 0.15 0.00 -0.52 0.00 0.00 52.55 53.83 3gqy s ASP 407 Cb 0.16 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.99 3gqy s ASP 407 CO 0.15 -1.15 1.91 -0.65 0.52 0.00 0.00 175.17 175.96 3gqy h PRO 408 N 9.86 0.00 -0.55 4.34 0.11 -1.92 -2.84 132.00 141.01 3gqy h PRO 408 Ca -0.29 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 3gqy h PRO 408 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3gqy h PRO 408 CO 1.02 0.27 0.04 1.79 -0.21 0.00 0.00 178.00 180.91 3gqy h THR 409 N 0.00 1.26 -0.59 -1.15 1.35 -1.92 -1.84 112.91 110.02 3gqy h THR 409 Ca -0.00 -1.05 -0.09 0.00 -0.55 0.00 0.00 66.41 64.71 3gqy h THR 409 Cb 0.50 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 3gqy h THR 409 CO 0.04 0.38 0.01 -0.33 -0.25 0.00 0.00 175.52 175.36 3gqy h GLU 410 N 0.82 1.03 -0.51 4.72 5.08 -1.85 -1.42 114.58 122.45 3gqy h GLU 410 Ca 0.16 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3gqy h GLU 410 Cb 0.48 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3gqy h GLU 410 CO 0.02 1.00 0.21 0.00 -1.00 0.00 0.00 179.01 179.24 3gqy h ALA 411 N 1.05 0.66 -0.70 3.43 0.00 -1.40 -1.50 119.26 120.80 3gqy h ALA 411 Ca 0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3gqy h ALA 411 Cb 0.53 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3gqy h ALA 411 CO 0.03 0.26 0.17 1.15 0.00 0.00 0.00 179.25 180.86 3gqy h THR 412 N 0.68 1.26 -0.08 0.00 2.02 -1.24 -1.48 112.91 114.07 3gqy h THR 412 Ca 0.17 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 3gqy h THR 412 Cb 0.18 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3gqy h THR 412 CO -0.02 0.37 0.03 0.00 0.37 0.00 0.00 175.52 176.28 3gqy h ALA 413 N 1.08 0.11 -0.69 6.16 0.00 -1.08 -0.74 119.26 124.11 3gqy h ALA 413 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3gqy h ALA 413 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3gqy h ALA 413 CO 0.00 -0.31 0.14 -0.24 0.00 0.00 0.00 179.25 178.84 3gqy h VAL 414 N -0.03 1.26 -0.84 0.00 3.04 -1.24 -1.76 116.25 116.69 3gqy h VAL 414 Ca 0.03 -1.00 -0.01 0.00 -1.01 0.00 0.00 66.70 64.70 3gqy h VAL 414 Cb 0.17 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 30.00 3gqy h VAL 414 CO -0.00 0.38 0.47 1.23 -1.01 0.00 0.00 177.57 178.64 3gqy h GLY 415 N 1.05 1.25 0.99 3.17 0.00 -1.19 -0.48 103.07 107.85 3gqy h GLY 415 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3gqy h GLY 415 CO 0.01 0.54 0.33 0.00 0.00 0.00 0.00 176.54 177.41 3gqy h ALA 416 N 1.25 0.77 -0.28 3.60 0.00 -0.87 -0.17 119.26 123.56 3gqy h ALA 416 Ca 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3gqy h ALA 416 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gqy h ALA 416 CO -0.05 0.28 -0.07 0.28 0.00 0.00 0.00 179.25 179.69 3gqy h VAL 417 N 0.81 1.28 -0.31 0.00 2.07 -0.92 -0.08 116.25 119.11 3gqy h VAL 417 Ca 0.21 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.69 3gqy h VAL 417 Cb 0.04 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3gqy h VAL 417 CO -0.03 0.35 -0.00 -0.08 0.02 0.00 0.00 177.57 177.82 3gqy h GLU 418 N 0.30 0.08 -0.90 1.57 4.57 -0.98 -1.89 114.58 117.32 3gqy h GLU 418 Ca 0.07 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 3gqy h GLU 418 Cb 0.55 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 3gqy h GLU 418 CO 0.03 0.05 0.58 0.00 -1.18 0.00 0.00 179.01 178.49 3gqy h ALA 419 N 1.27 1.21 -0.50 2.92 0.00 -0.83 -2.19 119.26 121.14 3gqy h ALA 419 Ca 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gqy h ALA 419 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gqy h ALA 419 CO -0.25 0.40 0.22 0.66 0.00 0.00 0.00 179.25 180.27 3gqy h SER 420 N 1.09 0.63 -0.20 0.00 4.64 -0.23 -2.37 113.55 117.10 3gqy h SER 420 Ca 0.37 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.51 3gqy h SER 420 Cb 0.07 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3gqy h SER 420 CO -0.14 0.56 -0.33 -0.26 -0.87 0.00 0.00 176.83 175.79 3gqy h PHE 421 N 0.70 0.73 -0.99 4.77 0.04 -1.02 -0.99 116.94 120.18 3gqy h PHE 421 Ca 0.17 -0.25 0.07 0.00 2.80 0.00 0.00 57.97 60.76 3gqy h PHE 421 Cb 0.11 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.05 3gqy h PHE 421 CO 0.01 0.98 0.63 -0.22 -0.60 0.00 0.00 178.31 179.11 3gqy h LYS 422 N 0.26 1.11 -0.36 1.51 1.63 -0.93 -2.75 116.57 117.05 3gqy h LYS 422 Ca 0.02 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3gqy h LYS 422 Cb 0.92 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 3gqy h LYS 422 CO 0.08 0.74 0.00 0.00 -3.45 0.00 0.00 179.45 176.81 3gqy s SER 425 N -3.80 5.47 0.53 0.00 1.04 -0.45 -4.91 113.70 111.58 3gqy s SER 425 Ca 0.34 2.54 0.34 0.00 0.48 0.00 0.00 55.95 59.65 3gqy s SER 425 Cb -0.19 -2.62 1.42 0.00 0.10 0.00 0.00 66.02 64.73 3gqy s SER 425 CO 0.95 -1.41 1.99 1.23 0.98 0.00 0.00 173.24 176.98 3gqy h GLY 426 N 1.44 0.00 -3.51 7.32 0.00 -1.64 -3.42 103.07 103.26 3gqy h GLY 426 Ca -0.50 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.10 3gqy h GLY 426 CO 0.57 0.00 0.82 0.00 0.00 0.00 0.00 176.54 177.93 3gqy s ALA 427 N -3.68 -2.11 -0.30 3.60 0.00 -1.26 -4.39 121.76 113.63 3gqy s ALA 427 Ca 0.01 1.37 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 3gqy s ALA 427 Cb 0.09 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.26 3gqy s ALA 427 CO 0.52 -0.71 0.01 0.42 0.00 0.00 0.00 175.76 175.99 3gqy s ILE 428 N -2.42 3.10 -0.16 0.00 1.01 0.21 -1.57 121.20 121.37 3gqy s ILE 428 Ca 0.11 -1.29 -0.19 0.00 0.00 0.00 0.00 60.65 59.27 3gqy s ILE 428 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 3gqy s ILE 428 CO -0.04 -0.07 0.54 -0.63 0.00 0.00 0.00 174.94 174.73 3gqy s ILE 429 N 1.29 5.11 -0.10 2.92 1.01 0.16 -1.10 121.20 130.50 3gqy s ILE 429 Ca -0.04 1.04 -0.00 0.00 0.00 0.00 0.00 60.65 61.64 3gqy s ILE 429 Cb -0.19 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.43 3gqy s ILE 429 CO -0.01 0.22 -0.07 -0.69 0.00 0.00 0.00 174.94 174.39 3gqy s VAL 430 N 1.28 0.95 0.03 2.92 1.01 -0.19 0.47 120.40 126.87 3gqy s VAL 430 Ca 0.27 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 3gqy s VAL 430 Cb -0.16 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.21 3gqy s VAL 430 CO 0.11 0.35 0.82 -0.76 0.00 0.00 0.00 175.10 175.61 3gqy s LEU 431 N 1.55 4.42 -0.23 3.92 1.43 -0.96 -0.67 118.68 128.14 3gqy s LEU 431 Ca 0.02 1.49 -0.19 0.00 -1.03 0.00 0.00 54.13 54.41 3gqy s LEU 431 Cb -0.13 -3.31 0.06 0.00 0.03 0.00 0.00 46.19 42.84 3gqy s LEU 431 CO -0.06 -0.07 0.59 0.28 0.23 0.00 0.00 176.35 177.32 3gqy s THR 432 N 0.29 -0.00 -0.18 5.49 -1.32 -0.70 -4.85 115.64 114.37 3gqy s THR 432 Ca 0.42 0.01 -0.18 0.00 -1.21 0.00 0.00 61.69 60.73 3gqy s THR 432 Cb -0.20 -0.83 -0.21 0.00 -1.51 0.00 0.00 72.50 69.74 3gqy s THR 432 CO 0.24 0.00 0.28 0.11 -2.21 0.00 0.00 174.62 173.05 3gqy h LYS 433 N 5.66 0.08 0.00 7.08 6.56 -1.94 -3.37 116.57 130.64 3gqy h LYS 433 Ca -0.29 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3gqy h LYS 433 Cb 1.18 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 3gqy h LYS 433 CO 0.15 1.06 -1.01 -1.13 -2.06 0.00 0.00 179.45 176.46 3gqy n SER 434 N -4.19 0.70 0.00 0.86 3.41 -1.26 -4.62 113.62 108.52 3gqy n SER 434 Ca -0.31 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 3gqy n SER 434 Cb 0.78 0.90 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 3gqy n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqy n GLY 435 N 1.44 3.22 0.25 5.00 0.00 -1.26 -4.87 105.19 108.97 3gqy n GLY 435 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 3gqy n GLY 435 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gqy h ARG 436 N 1.65 0.26 -0.87 1.61 1.12 -1.95 -0.80 114.38 115.39 3gqy h ARG 436 Ca 0.00 -0.02 0.07 0.00 -1.11 0.00 0.00 59.98 58.93 3gqy h ARG 436 Cb 0.00 -0.06 -0.07 0.00 -0.01 0.00 0.00 29.97 29.84 3gqy h ARG 436 CO 0.00 0.17 0.53 0.77 -3.11 0.00 0.00 179.97 178.33 3gqy h SER 437 N 0.27 0.82 -0.01 -3.80 0.02 -1.93 0.41 113.55 109.32 3gqy h SER 437 Ca 0.37 0.03 -0.18 0.00 -0.84 0.00 0.00 61.79 61.16 3gqy h SER 437 Cb 0.60 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3gqy h SER 437 CO -0.47 0.50 -0.64 0.00 -1.14 0.00 0.00 176.83 175.09 3gqy h ALA 438 N 1.43 0.55 -0.90 3.77 0.00 -1.54 -2.82 119.26 119.75 3gqy h ALA 438 Ca 0.39 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gqy h ALA 438 Cb 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3gqy h ALA 438 CO -0.20 0.70 0.59 0.45 0.00 0.00 0.00 179.25 180.79 3gqy h HIS 439 N 0.46 1.14 -0.29 0.00 3.86 -0.38 -0.72 115.15 119.22 3gqy h HIS 439 Ca -0.01 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3gqy h HIS 439 Cb 1.22 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 3gqy h HIS 439 CO 0.06 0.73 -0.08 1.96 0.86 0.00 0.00 177.93 181.46 3gqy h GLN 440 N 1.23 0.47 -0.11 2.45 4.20 -0.75 -1.46 115.11 121.13 3gqy h GLN 440 Ca 0.33 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3gqy h GLN 440 Cb -0.13 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3gqy h GLN 440 CO -0.07 0.55 -0.35 0.28 -0.67 0.00 0.00 178.83 178.57 3gqy h VAL 441 N 0.44 1.38 -0.70 -0.54 2.07 -1.21 -3.30 116.25 114.40 3gqy h VAL 441 Ca 0.09 -1.67 0.02 0.00 0.82 0.00 0.00 66.70 65.96 3gqy h VAL 441 Cb 0.41 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 3gqy h VAL 441 CO 0.02 0.49 0.46 0.00 0.02 0.00 0.00 177.57 178.57 3gqy h ALA 442 N 0.50 1.56 -1.06 1.67 0.00 -0.86 -2.38 119.26 118.69 3gqy h ALA 442 Ca -0.01 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.15 3gqy h ALA 442 Cb 0.97 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3gqy h ALA 442 CO 0.07 0.39 0.72 -0.09 0.00 0.00 0.00 179.25 180.35 3gqy h ARG 443 N 0.89 0.18 -0.14 0.00 2.43 -1.35 -1.27 114.38 115.14 3gqy h ARG 443 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3gqy h ARG 443 Cb -0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3gqy h ARG 443 CO -0.07 0.12 0.00 0.66 -1.51 0.00 0.00 179.97 179.17 3gqy n TYR 444 N -4.40 0.16 -3.44 2.20 4.01 -0.90 -4.97 117.16 109.83 3gqy n TYR 444 Ca 0.24 -0.08 -0.20 0.00 -0.16 0.00 0.00 57.90 57.70 3gqy n TYR 444 Cb 1.01 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.10 3gqy n TYR 444 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3gqy n ARG 445 N 0.75 -3.22 -1.73 -0.72 5.12 -0.48 -4.71 116.66 111.66 3gqy n ARG 445 Ca 0.17 0.74 -0.36 0.00 -1.93 0.00 0.00 57.85 56.48 3gqy n ARG 445 Cb 0.45 -5.39 0.06 0.00 -1.16 0.00 0.00 32.46 26.42 3gqy n ARG 445 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3gqy s PRO 446 N -5.13 2.57 0.12 5.56 0.04 -1.26 -4.91 135.00 131.98 3gqy s PRO 446 Ca 0.31 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.08 3gqy s PRO 446 Cb -0.06 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 3gqy s PRO 446 CO 0.77 -1.53 1.46 -0.09 0.04 0.00 0.00 177.00 177.66 3gqy h ARG 447 N 0.37 0.83 -6.90 4.56 2.43 -1.94 -3.45 114.38 110.26 3gqy h ARG 447 Ca -0.50 -0.42 -0.52 0.00 -0.81 0.00 0.00 59.98 57.74 3gqy h ARG 447 Cb 1.31 0.01 0.06 0.00 -0.42 0.00 0.00 29.97 30.92 3gqy h ARG 447 CO 0.53 1.06 0.57 0.00 -1.51 0.00 0.00 179.97 180.61 3gqy s ALA 448 N -4.44 3.33 0.49 2.80 0.00 -1.26 -4.98 121.76 117.70 3gqy s ALA 448 Ca -0.12 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.73 3gqy s ALA 448 Cb 0.10 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 3gqy s ALA 448 CO 0.85 -0.58 1.23 -1.25 0.00 0.00 0.00 175.76 176.01 3gqy s PRO 449 N -1.98 3.53 -0.47 0.00 0.04 -1.26 -4.66 135.00 130.19 3gqy s PRO 449 Ca 0.52 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 63.33 3gqy s PRO 449 Cb -0.36 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 31.93 3gqy s PRO 449 CO 0.46 -0.78 0.39 0.42 0.04 0.00 0.00 177.00 177.53 3gqy s ILE 450 N -1.48 5.10 -0.57 0.56 1.01 0.12 -0.62 121.20 125.33 3gqy s ILE 450 Ca 0.67 -1.17 -0.25 0.00 0.00 0.00 0.00 60.65 59.90 3gqy s ILE 450 Cb -0.32 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.10 3gqy s ILE 450 CO 0.38 -0.61 1.00 -0.63 0.00 0.00 0.00 174.94 175.09 3gqy s ILE 451 N 1.61 4.29 -0.44 2.92 1.01 -0.25 0.58 121.20 130.91 3gqy s ILE 451 Ca 0.04 0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 3gqy s ILE 451 Cb -0.25 -4.60 0.03 0.00 0.01 0.00 0.00 42.46 37.65 3gqy s ILE 451 CO 0.06 -1.21 0.54 0.00 0.00 0.00 0.00 174.94 174.32 3gqy s ALA 452 N 4.21 3.40 -0.25 9.38 0.00 -0.75 -1.03 121.76 136.73 3gqy s ALA 452 Ca 0.32 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 3gqy s ALA 452 Cb -0.12 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3gqy s ALA 452 CO 0.19 -1.74 0.47 0.08 0.00 0.00 0.00 175.76 174.77 3gqy s VAL 453 N 2.43 5.11 0.03 0.00 1.01 0.15 -0.96 120.40 128.17 3gqy s VAL 453 Ca 0.16 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 3gqy s VAL 453 Cb -0.17 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3gqy s VAL 453 CO 0.15 0.13 0.03 0.28 0.00 0.00 0.00 175.10 175.69 3gqy s THR 454 N 2.06 0.14 -1.76 3.92 -1.32 -0.95 -1.72 115.64 116.01 3gqy s THR 454 Ca 0.20 -1.16 0.23 0.00 -1.21 0.00 0.00 61.69 59.75 3gqy s THR 454 Cb -0.16 -0.79 0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3gqy s THR 454 CO 0.09 -0.64 1.18 0.54 -2.21 0.00 0.00 174.62 173.58 3gqy n ARG 455 N 0.94 0.88 -3.01 7.08 1.74 -1.26 -0.87 116.66 122.16 3gqy n ARG 455 Ca -0.20 -0.69 -0.43 0.00 -0.77 0.00 0.00 57.85 55.77 3gqy n ARG 455 Cb 0.58 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.48 3gqy n ARG 455 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gqy s ASN 456 N -2.59 6.33 0.27 0.55 3.84 -1.26 -4.89 114.94 117.18 3gqy s ASN 456 Ca 0.18 -0.42 -0.02 0.00 0.21 0.00 0.00 52.86 52.81 3gqy s ASN 456 Cb 0.18 -2.36 0.44 0.00 -0.55 0.00 0.00 41.25 38.96 3gqy s ASN 456 CO 0.61 -0.96 1.87 -0.65 -2.79 0.00 0.00 177.10 175.18 3gqy h PRO 457 N 9.05 1.09 -0.72 0.43 0.11 -1.95 -1.54 132.00 138.47 3gqy h PRO 457 Ca -0.26 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 3gqy h PRO 457 Cb 1.09 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 3gqy h PRO 457 CO 0.98 0.72 0.21 0.37 -0.21 0.00 0.00 178.00 180.07 3gqy h GLN 458 N 1.12 1.13 -0.64 1.05 4.15 -1.97 -1.86 115.11 118.10 3gqy h GLN 458 Ca 0.45 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 59.63 3gqy h GLN 458 Cb 0.25 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3gqy h GLN 458 CO -0.20 0.97 0.41 1.15 -1.93 0.00 0.00 178.83 179.23 3gqy h THR 459 N 1.07 1.12 -0.26 2.39 2.02 -1.66 -1.08 112.91 116.50 3gqy h THR 459 Ca 0.23 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3gqy h THR 459 Cb 0.33 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3gqy h THR 459 CO -0.00 0.15 0.08 0.00 0.37 0.00 0.00 175.52 176.11 3gqy h ALA 460 N 1.26 0.29 -0.13 6.16 0.00 -0.90 -0.94 119.26 124.99 3gqy h ALA 460 Ca 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3gqy h ALA 460 Cb -0.03 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gqy h ALA 460 CO -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 179.25 178.82 3gqy h ARG 461 N 0.19 0.25 0.00 0.00 3.08 -1.13 -3.17 114.38 113.60 3gqy h ARG 461 Ca 0.12 -0.09 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3gqy h ARG 461 Cb 0.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3gqy h ARG 461 CO -0.13 0.53 -0.23 1.96 -1.07 0.00 0.00 179.97 181.03 3gqy h GLN 462 N -0.04 0.00 -0.00 0.04 4.20 -1.12 -2.92 115.11 115.27 3gqy h GLN 462 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3gqy h GLN 462 Cb 0.43 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3gqy h GLN 462 CO 0.01 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.41 3gqy h ALA 463 N 1.77 1.35 0.00 3.87 0.00 -1.14 -2.10 119.26 123.02 3gqy h ALA 463 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gqy h ALA 463 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gqy h ALA 463 CO 0.03 -0.00 0.05 0.45 0.00 0.00 0.00 179.25 179.77 3gqy h HIS 464 N 0.00 0.00 0.00 0.00 3.86 -1.65 -2.04 115.15 115.31 3gqy h HIS 464 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gqy h HIS 464 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 3gqy h HIS 464 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 3gqy n LEU 465 N -2.81 0.63 -4.49 2.43 4.77 -0.79 -4.50 117.00 112.24 3gqy n LEU 465 Ca -0.02 0.71 -0.34 0.00 -0.03 0.00 0.00 56.01 56.32 3gqy n LEU 465 Cb 0.10 -0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 40.39 3gqy n LEU 465 CO 0.16 -0.73 -0.33 -0.31 -1.33 0.00 0.00 177.39 174.85 3gqy s TYR 466 N -3.42 3.06 -0.05 -1.77 2.02 -0.77 -4.54 117.35 111.88 3gqy s TYR 466 Ca 0.01 -0.32 -0.38 0.00 -0.37 0.00 0.00 57.07 56.01 3gqy s TYR 466 Cb 0.08 -2.03 -0.16 0.00 -0.40 0.00 0.00 41.96 39.44 3gqy s TYR 466 CO 0.31 -0.10 1.47 -2.13 -1.57 0.00 0.00 175.55 173.53 3gqy n ARG 467 N 3.86 1.10 0.00 -0.62 3.00 -1.26 -2.22 116.66 120.52 3gqy n ARG 467 Ca -0.17 0.40 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 3gqy n ARG 467 Cb 0.52 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.93 3gqy n ARG 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gqy n GLY 468 N 3.07 3.40 3.65 5.14 0.00 -0.01 -4.74 105.19 115.70 3gqy n GLY 468 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3gqy n GLY 468 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqy s ILE 469 N -2.62 4.69 -0.60 -0.61 1.01 -0.94 0.15 121.20 122.28 3gqy s ILE 469 Ca 0.00 1.89 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 3gqy s ILE 469 Cb 0.00 -4.29 0.15 0.00 0.01 0.00 0.00 42.46 38.34 3gqy s ILE 469 CO 0.00 -0.20 0.47 0.12 0.00 0.00 0.00 174.94 175.32 3gqy s PHE 470 N 3.19 3.50 0.21 3.97 5.36 0.20 -4.70 117.98 129.70 3gqy s PHE 470 Ca 0.42 -2.16 -0.30 0.00 -0.96 0.00 0.00 56.93 53.93 3gqy s PHE 470 Cb -0.15 -3.48 -0.08 0.00 -0.34 0.00 0.00 43.02 38.97 3gqy s PHE 470 CO 0.08 -0.95 1.10 -1.25 -1.46 0.00 0.00 175.22 172.74 3gqy s PRO 471 N 0.66 4.61 -0.01 10.12 0.04 -1.26 -1.80 135.00 147.36 3gqy s PRO 471 Ca 0.12 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.95 3gqy s PRO 471 Cb -0.21 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.07 3gqy s PRO 471 CO -0.03 0.13 -0.16 0.14 0.04 0.00 0.00 177.00 177.12 3gqy s VAL 472 N -0.55 1.24 -0.45 -0.36 -7.23 -0.14 -4.54 120.40 108.37 3gqy s VAL 472 Ca 0.48 -0.67 -0.11 0.00 -1.81 0.00 0.00 61.98 59.87 3gqy s VAL 472 Cb -0.30 -1.03 0.09 0.00 0.56 0.00 0.00 36.38 35.70 3gqy s VAL 472 CO 0.37 0.35 0.33 -0.22 -0.31 0.00 0.00 175.10 175.61 3gqy s LEU 473 N -0.37 5.47 -0.08 1.32 2.96 -1.26 -2.23 118.68 124.49 3gqy s LEU 473 Ca 0.06 -1.62 -0.30 0.00 -0.22 0.00 0.00 54.13 52.06 3gqy s LEU 473 Cb -0.06 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 3gqy s LEU 473 CO -0.01 -0.63 1.07 0.00 -1.32 0.00 0.00 176.35 175.47 3gqy n LYS 475 N 4.95 1.06 -1.90 0.00 5.02 -1.26 -4.39 118.16 121.63 3gqy n LYS 475 Ca 0.09 -1.22 -0.39 0.00 -2.02 0.00 0.00 58.31 54.77 3gqy n LYS 475 Cb 0.48 -1.12 0.02 0.00 -0.02 0.00 0.00 35.03 34.39 3gqy n LYS 475 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gqy s ASP 476 N -0.69 5.68 0.74 4.39 1.01 -1.26 -4.98 116.67 121.56 3gqy s ASP 476 Ca 0.09 2.70 -0.14 0.00 0.71 0.00 0.00 52.55 55.91 3gqy s ASP 476 Cb 0.05 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.40 3gqy s ASP 476 CO 0.08 -1.29 1.16 -2.84 0.21 0.00 0.00 175.17 172.49 3gqy s PRO 477 N -2.69 2.17 0.03 8.23 0.02 -1.26 -4.95 135.00 136.55 3gqy s PRO 477 Ca 0.66 1.57 -0.30 0.00 0.02 0.00 0.00 61.00 62.95 3gqy s PRO 477 Cb -0.39 -1.86 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 3gqy s PRO 477 CO 0.47 -1.77 1.45 0.08 -0.33 0.00 0.00 177.00 176.90 3gqy s VAL 478 N -2.26 3.51 0.28 3.83 1.01 -1.26 -5.00 120.40 120.50 3gqy s VAL 478 Ca 0.70 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 3gqy s VAL 478 Cb -0.25 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 3gqy s VAL 478 CO 0.47 0.01 1.01 -1.10 0.00 0.00 0.00 175.10 175.49 3gqy s GLN 479 N 2.22 4.69 0.17 2.72 -1.52 -1.26 -4.97 119.66 121.71 3gqy s GLN 479 Ca 0.66 1.59 -0.23 0.00 -1.95 0.00 0.00 55.36 55.42 3gqy s GLN 479 Cb -0.34 -3.13 0.06 0.00 -0.22 0.00 0.00 33.01 29.38 3gqy s GLN 479 CO 0.28 0.33 1.59 0.93 -0.25 0.00 0.00 175.29 178.17 3gqy h GLU 480 N 3.78 -0.25 -6.63 2.91 5.08 -2.00 -3.37 114.58 114.11 3gqy h GLU 480 Ca -0.46 0.02 -0.56 0.00 -1.00 0.00 0.00 59.36 57.35 3gqy h GLU 480 Cb 1.20 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 3gqy h GLU 480 CO 0.67 -0.16 0.99 0.00 -1.00 0.00 0.00 179.01 179.50 3gqy s ALA 481 N -5.97 3.11 0.23 3.43 0.00 -1.26 -4.92 121.76 116.38 3gqy s ALA 481 Ca -0.15 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.41 3gqy s ALA 481 Cb 0.13 -3.91 0.26 0.00 0.00 0.00 0.00 23.12 19.60 3gqy s ALA 481 CO 0.68 -2.31 1.86 2.35 0.00 0.00 0.00 175.76 178.33 3gqy h TRP 482 N 9.86 0.95 -0.93 0.00 7.01 -2.00 -1.00 115.95 129.84 3gqy h TRP 482 Ca -0.25 0.03 0.09 0.00 2.11 0.00 0.00 58.89 60.87 3gqy h TRP 482 Cb 1.08 -0.31 -0.07 0.00 -2.10 0.00 0.00 29.16 27.76 3gqy h TRP 482 CO 0.97 0.52 0.60 0.00 -2.79 0.00 0.00 178.44 177.75 3gqy h ALA 483 N 1.35 1.57 0.00 2.65 0.00 -1.93 0.99 119.26 123.89 3gqy h ALA 483 Ca 0.33 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 3gqy h ALA 483 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3gqy h ALA 483 CO -0.13 0.25 -0.72 0.93 0.00 0.00 0.00 179.25 179.58 3gqy h GLU 484 N 0.97 0.00 -0.70 0.00 5.08 -1.64 -1.46 114.58 116.83 3gqy h GLU 484 Ca 0.43 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3gqy h GLU 484 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3gqy h GLU 484 CO -0.19 0.72 0.24 0.22 -1.00 0.00 0.00 179.01 179.00 3gqy h ASP 485 N 0.00 1.00 0.00 1.42 3.58 0.01 -0.74 116.42 121.69 3gqy h ASP 485 Ca -0.01 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 3gqy h ASP 485 Cb 1.28 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.07 3gqy h ASP 485 CO 0.09 0.93 -0.00 0.58 -2.88 0.00 0.00 179.24 177.96 3gqy h VAL 486 N 1.01 1.14 0.00 2.25 2.07 -0.67 -2.72 116.25 119.34 3gqy h VAL 486 Ca 0.23 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 3gqy h VAL 486 Cb 0.28 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3gqy h VAL 486 CO -0.01 0.11 -0.18 0.44 0.02 0.00 0.00 177.57 177.95 3gqy h ASP 487 N -0.18 0.00 0.02 0.57 3.32 -1.22 -2.04 116.42 116.89 3gqy h ASP 487 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gqy h ASP 487 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3gqy h ASP 487 CO 0.00 0.18 -0.01 0.25 -1.72 0.00 0.00 179.24 177.94 3gqy h LEU 488 N 0.00 -0.02 -0.61 1.55 6.46 -0.96 -2.24 115.31 119.48 3gqy h LEU 488 Ca -0.00 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.57 3gqy h LEU 488 Cb 0.32 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 3gqy h LEU 488 CO 0.02 0.04 -0.39 0.03 -0.62 0.00 0.00 178.44 177.52 3gqy h ARG 489 N -0.08 0.66 -0.39 1.25 3.08 -1.17 -1.75 114.38 115.97 3gqy h ARG 489 Ca -0.00 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.74 3gqy h ARG 489 Cb 0.08 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3gqy h ARG 489 CO 0.00 0.94 0.21 0.28 -1.07 0.00 0.00 179.97 180.33 3gqy h VAL 490 N 0.54 1.00 0.00 2.04 2.07 -1.36 -1.86 116.25 118.68 3gqy h VAL 490 Ca 0.05 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3gqy h VAL 490 Cb 0.92 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3gqy h VAL 490 CO 0.08 0.08 -0.44 0.78 0.02 0.00 0.00 177.57 178.09 3gqy h ASN 491 N 0.42 0.00 -0.43 0.57 2.35 -1.23 -1.64 115.58 115.63 3gqy h ASN 491 Ca 0.16 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3gqy h ASN 491 Cb 0.05 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3gqy h ASN 491 CO -0.10 0.44 0.26 0.15 -1.65 0.00 0.00 177.43 176.53 3gqy h PHE 492 N 0.00 0.48 -0.57 1.19 3.57 -0.98 -0.93 116.94 119.70 3gqy h PHE 492 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3gqy h PHE 492 Cb 0.78 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3gqy h PHE 492 CO 0.00 0.28 0.35 0.00 -2.23 0.00 0.00 178.31 176.72 3gqy h ALA 493 N 1.19 0.73 -0.54 2.41 0.00 -0.75 -0.12 119.26 122.19 3gqy h ALA 493 Ca 0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3gqy h ALA 493 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3gqy h ALA 493 CO -0.07 0.09 0.27 0.52 0.00 0.00 0.00 179.25 180.06 3gqy h MET 494 N 0.71 0.50 -0.72 0.00 2.86 -1.07 -0.49 114.93 116.71 3gqy h MET 494 Ca 0.22 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 3gqy h MET 494 Cb -0.01 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3gqy h MET 494 CO -0.08 0.33 0.24 -0.91 1.06 0.00 0.00 176.91 177.55 3gqy h ASN 495 N 0.52 1.03 -0.05 1.22 2.35 -0.65 -1.66 115.58 118.35 3gqy h ASN 495 Ca 0.24 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3gqy h ASN 495 Cb 0.16 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3gqy h ASN 495 CO -0.18 0.95 0.02 0.58 -1.65 0.00 0.00 177.43 177.16 3gqy h VAL 496 N 1.05 1.15 -0.47 2.81 2.07 -0.57 -1.28 116.25 121.01 3gqy h VAL 496 Ca 0.23 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3gqy h VAL 496 Cb 0.28 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3gqy h VAL 496 CO -0.01 0.12 0.26 1.23 0.02 0.00 0.00 177.57 179.20 3gqy h GLY 497 N -0.10 0.66 0.79 2.17 0.00 -1.00 -0.26 103.07 105.34 3gqy h GLY 497 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.17 3gqy h GLY 497 CO -0.00 0.15 -0.07 0.50 0.00 0.00 0.00 176.54 177.12 3gqy h LYS 498 N 0.52 -0.11 -0.19 4.80 1.57 -1.29 0.74 116.57 122.62 3gqy h LYS 498 Ca 0.20 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3gqy h LYS 498 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3gqy h LYS 498 CO -0.11 -0.07 -0.03 0.00 -0.57 0.00 0.00 179.45 178.66 3gqy h ALA 499 N 0.90 1.60 -0.01 3.86 0.00 -0.79 -1.53 119.26 123.29 3gqy h ALA 499 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gqy h ALA 499 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gqy h ALA 499 CO -0.09 0.30 -0.19 0.54 0.00 0.00 0.00 179.25 179.81 3gqy n ARG 500 N -4.35 0.84 -1.68 0.00 5.12 -0.15 -4.95 116.66 111.51 3gqy n ARG 500 Ca -0.00 -0.44 -0.09 0.00 -1.93 0.00 0.00 57.85 55.39 3gqy n ARG 500 Cb 0.21 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 3gqy n ARG 500 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gqy n GLY 501 N 1.31 0.58 0.15 -0.13 0.00 -0.58 -4.93 105.19 101.60 3gqy n GLY 501 Ca 0.13 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 3gqy n GLY 501 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gqy h PHE 502 N 0.00 0.25 -2.92 1.61 0.04 -1.13 -3.43 116.94 111.36 3gqy h PHE 502 Ca -0.20 -0.11 0.05 0.00 2.80 0.00 0.00 57.97 60.52 3gqy h PHE 502 Cb 0.85 -0.04 -0.08 0.00 2.20 0.00 0.00 35.95 38.88 3gqy h PHE 502 CO 0.25 0.80 0.26 -0.59 -0.60 0.00 0.00 178.31 178.42 3gqy s PHE 503 N -3.59 -0.30 0.31 -0.55 -0.12 -1.20 -4.83 117.98 107.69 3gqy s PHE 503 Ca -0.03 -0.06 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 3gqy s PHE 503 Cb 0.12 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 43.11 3gqy s PHE 503 CO 0.80 -1.06 0.09 -1.59 -0.05 0.00 0.00 175.22 173.41 3gqy s LYS 504 N -3.79 1.58 0.07 1.99 -2.85 -1.26 -3.74 119.74 111.74 3gqy s LYS 504 Ca 0.08 -1.88 -0.37 0.00 -1.00 0.00 0.00 55.97 52.79 3gqy s LYS 504 Cb -0.04 -0.54 -0.17 0.00 -2.06 0.00 0.00 37.83 35.02 3gqy s LYS 504 CO -0.00 -0.28 1.27 1.17 0.10 0.00 0.00 175.35 177.61 3gqy n LYS 505 N -0.61 0.89 0.00 1.78 4.81 -1.26 -1.70 118.16 122.06 3gqy n LYS 505 Ca -0.01 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3gqy n LYS 505 Cb 0.66 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.78 3gqy n LYS 505 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gqy n GLY 506 N 2.28 3.26 3.72 3.14 0.00 -0.59 -4.95 105.19 112.06 3gqy n GLY 506 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3gqy n GLY 506 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqy s ASP 507 N -0.12 4.17 -0.12 1.61 1.01 -0.69 -4.58 116.67 117.95 3gqy s ASP 507 Ca 0.00 2.25 -0.11 0.00 0.71 0.00 0.00 52.55 55.40 3gqy s ASP 507 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 3gqy s ASP 507 CO 0.00 -2.28 0.22 -0.69 0.21 0.00 0.00 175.17 172.63 3gqy s VAL 508 N -2.19 5.36 0.19 -1.27 1.01 -1.26 0.59 120.40 122.83 3gqy s VAL 508 Ca 0.71 0.40 0.06 0.00 0.00 0.00 0.00 61.98 63.14 3gqy s VAL 508 Cb -0.26 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 3gqy s VAL 508 CO 0.47 0.52 -0.10 0.68 0.00 0.00 0.00 175.10 176.68 3gqy s VAL 509 N -0.43 1.39 -0.07 2.92 -7.23 0.40 -1.70 120.40 115.68 3gqy s VAL 509 Ca 0.16 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.17 3gqy s VAL 509 Cb -0.13 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 3gqy s VAL 509 CO 0.04 -0.58 0.11 -0.63 -0.31 0.00 0.00 175.10 173.73 3gqy s ILE 510 N -3.19 5.13 -0.08 -0.62 -1.09 -0.61 -0.76 121.20 119.99 3gqy s ILE 510 Ca 0.22 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 3gqy s ILE 510 Cb 0.02 -3.28 0.02 0.00 -1.58 0.00 0.00 42.46 37.65 3gqy s ILE 510 CO 0.05 0.51 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.51 3gqy s VAL 511 N -1.09 0.83 -0.16 2.92 1.01 0.10 0.40 120.40 124.41 3gqy s VAL 511 Ca 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 3gqy s VAL 511 Cb -0.12 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3gqy s VAL 511 CO 0.08 0.31 -0.03 -0.76 0.00 0.00 0.00 175.10 174.71 3gqy s LEU 512 N 1.35 3.26 0.30 3.92 1.43 0.18 -0.48 118.68 128.65 3gqy s LEU 512 Ca -0.03 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3gqy s LEU 512 Cb -0.14 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3gqy s LEU 512 CO -0.03 0.17 0.29 0.42 0.23 0.00 0.00 176.35 177.42 3gqy s THR 513 N 0.37 0.00 0.53 5.49 -4.23 -0.47 -2.27 115.64 115.07 3gqy s THR 513 Ca -0.04 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.59 3gqy s THR 513 Cb -0.14 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.20 3gqy s THR 513 CO 0.03 0.00 0.22 -0.83 -0.54 0.00 0.00 174.62 173.49 3gqy s GLY 514 N -3.29 2.70 0.02 3.99 0.00 -1.26 -1.84 107.32 107.64 3gqy s GLY 514 Ca 0.38 -0.76 0.23 0.00 0.00 0.00 0.00 44.72 44.57 3gqy s GLY 514 CO 0.23 -2.07 1.05 -2.67 0.00 0.00 0.00 173.10 169.64 3gqy n TRP 515 N -1.55 0.13 -3.82 1.90 4.27 -1.08 -4.85 117.44 112.44 3gqy n TRP 515 Ca -0.11 0.04 -0.09 0.00 -3.89 0.00 0.00 57.50 53.45 3gqy n TRP 515 Cb 0.66 -0.28 -0.04 0.00 -1.36 0.00 0.00 31.31 30.29 3gqy n TRP 515 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 3gqy s ARG 516 N -3.11 1.51 0.83 -2.67 1.70 -1.26 -5.14 118.95 110.80 3gqy s ARG 516 Ca 0.06 -0.97 -0.11 0.00 -0.47 0.00 0.00 55.73 54.24 3gqy s ARG 516 Cb 0.15 0.53 0.09 0.00 -0.57 0.00 0.00 34.95 35.16 3gqy s ARG 516 CO 0.80 -0.65 1.09 -2.14 -1.08 0.00 0.00 175.30 173.32 3gqy s PRO 517 N -3.91 1.77 0.00 3.89 0.02 -1.26 -4.85 135.00 130.65 3gqy s PRO 517 Ca 0.12 1.01 0.00 0.00 0.02 0.00 0.00 61.00 62.15 3gqy s PRO 517 Cb -0.02 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3gqy s PRO 517 CO 0.02 -1.94 0.00 0.41 -0.33 0.00 0.00 177.00 175.16 3gqy n GLY 518 N -1.15 0.57 3.79 0.52 0.00 -1.26 -4.97 105.19 102.68 3gqy n GLY 518 Ca 0.08 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 3gqy n GLY 518 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 519 N -1.37 6.49 0.00 1.61 0.01 -1.26 -4.30 113.70 114.87 3gqy s SER 519 Ca 0.00 2.01 0.00 0.00 1.31 0.00 0.00 55.95 59.27 3gqy s SER 519 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3gqy s SER 519 CO 0.00 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.58 3gqy n GLY 520 N 0.06 0.90 0.07 3.44 0.00 -1.26 -4.98 105.19 103.42 3gqy n GLY 520 Ca 0.07 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.15 3gqy n GLY 520 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gqy n PHE 521 N -2.19 0.00 -2.00 1.61 3.72 -1.26 -4.94 117.46 112.41 3gqy n PHE 521 Ca 0.00 -0.90 -0.42 0.00 -0.05 0.00 0.00 57.45 56.08 3gqy n PHE 521 Cb 0.00 -0.13 -0.03 0.00 -0.94 0.00 0.00 39.48 38.38 3gqy n PHE 521 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3gqy s THR 522 N -2.54 3.49 0.00 4.37 2.01 -1.26 -2.63 115.64 119.08 3gqy s THR 522 Ca 0.27 0.67 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3gqy s THR 522 Cb 0.23 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.31 3gqy s THR 522 CO 0.02 -0.05 0.12 -0.46 -0.69 0.00 0.00 174.62 173.57 3gqy n ASN 523 N 6.82 0.00 -3.98 3.53 6.94 -0.84 -3.94 115.26 123.79 3gqy n ASN 523 Ca 0.17 -1.00 -0.29 0.00 -0.02 0.00 0.00 54.58 53.44 3gqy n ASN 523 Cb 0.42 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.68 3gqy n ASN 523 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3gqy s THR 524 N 0.00 1.35 -0.12 5.53 2.01 -0.77 -4.96 115.64 118.69 3gqy s THR 524 Ca 0.00 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.52 3gqy s THR 524 Cb 0.00 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.21 3gqy s THR 524 CO 0.00 0.42 -0.19 -0.32 -0.69 0.00 0.00 174.62 173.84 3gqy s MET 525 N 1.50 3.18 0.03 4.92 1.75 -1.26 -1.36 119.30 128.06 3gqy s MET 525 Ca 0.03 -0.79 0.07 0.00 -1.25 0.00 0.00 55.69 53.75 3gqy s MET 525 Cb -0.13 -2.47 -0.02 0.00 2.84 0.00 0.00 34.83 35.04 3gqy s MET 525 CO -0.09 0.14 -0.20 1.03 -0.65 0.00 0.00 175.02 175.25 3gqy s ARG 526 N 0.48 1.39 -0.38 4.11 0.52 0.37 -4.96 118.95 120.48 3gqy s ARG 526 Ca -0.13 -0.88 -0.06 0.00 -0.52 0.00 0.00 55.73 54.14 3gqy s ARG 526 Cb -0.17 -1.46 0.07 0.00 0.52 0.00 0.00 34.95 33.92 3gqy s ARG 526 CO 0.05 0.38 0.18 0.08 0.02 0.00 0.00 175.30 176.01 3gqy s VAL 527 N -0.73 3.76 0.05 3.52 1.01 -1.26 0.01 120.40 126.75 3gqy s VAL 527 Ca 0.07 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.64 3gqy s VAL 527 Cb -0.08 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3gqy s VAL 527 CO 0.01 -0.41 -0.18 0.68 0.00 0.00 0.00 175.10 175.20 3gqy s VAL 528 N 1.34 1.45 0.41 2.92 -7.23 0.06 -4.95 120.40 114.41 3gqy s VAL 528 Ca 0.02 -1.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.77 3gqy s VAL 528 Cb -0.22 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.34 3gqy s VAL 528 CO 0.01 0.08 1.03 -2.16 -0.31 0.00 0.00 175.10 173.74 3gqy s PRO 529 N -1.30 4.13 0.08 4.82 0.05 -1.26 -0.45 135.00 141.07 3gqy s PRO 529 Ca 0.05 1.42 -0.31 0.00 0.05 0.00 0.00 61.00 62.21 3gqy s PRO 529 Cb -0.09 -2.43 -0.07 0.00 0.05 0.00 0.00 34.50 31.97 3gqy s PRO 529 CO 0.02 -0.15 1.40 0.08 0.05 0.00 0.00 177.00 178.40 3gqy s VAL 530 N -1.78 3.44 -1.97 -0.36 1.01 0.20 -4.88 120.40 116.05 3gqy s VAL 530 Ca 0.60 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.55 3gqy s VAL 530 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3gqy s VAL 530 CO 0.24 0.05 0.49 -2.65 0.00 0.00 0.00 175.10 173.23