#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 0.43 -1.50 -0.39 -4.23 -1.26 -4.18 115.64 104.51 3gqy s THR 15 Ca 0.00 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3gqy s THR 15 Cb 0.00 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3gqy s THR 15 CO 0.00 -0.56 0.00 0.00 -0.54 0.00 0.00 174.62 173.52 3gqy n GLN 16 N -0.14 -1.74 -3.28 3.99 10.64 0.03 -1.71 117.38 125.18 3gqy n GLN 16 Ca -0.07 0.84 -0.23 0.00 -1.83 0.00 0.00 57.00 55.71 3gqy n GLN 16 Cb 0.63 -5.34 0.01 0.00 -0.86 0.00 0.00 30.24 24.68 3gqy n GLN 16 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3gqy n GLN 17 N -2.57 -3.97 0.24 2.61 1.13 -1.26 -4.74 117.38 108.83 3gqy n GLN 17 Ca -0.18 0.62 0.08 0.00 -1.94 0.00 0.00 57.00 55.58 3gqy n GLN 17 Cb 0.60 -5.38 0.60 0.00 0.11 0.00 0.00 30.24 26.17 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 -1.15 0.00 -0.25 1.08 3.38 -1.66 -0.65 115.31 116.07 3gqy h LEU 18 Ca -0.47 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 3gqy h LEU 18 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3gqy h LEU 18 CO 0.55 0.16 -0.00 -0.74 0.09 0.00 0.00 178.44 178.49 3gqy h HIS 19 N 0.00 0.48 -0.05 1.13 2.76 -1.89 -2.68 115.15 114.90 3gqy h HIS 19 Ca -0.00 -0.09 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 3gqy h HIS 19 Cb 0.32 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3gqy h HIS 19 CO 0.00 0.61 -0.24 0.00 -1.30 0.00 0.00 177.93 177.00 3gqy h ALA 20 N 0.81 1.50 -0.18 5.26 0.00 -1.65 -2.96 119.26 122.04 3gqy h ALA 20 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3gqy h ALA 20 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3gqy h ALA 20 CO 0.01 0.37 0.09 0.00 0.00 0.00 0.00 179.25 179.72 3gqy h ALA 21 N 1.67 1.82 -0.00 0.00 0.00 -0.80 -2.77 119.26 119.18 3gqy h ALA 21 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gqy h ALA 21 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gqy h ALA 21 CO 0.03 0.15 -0.14 0.00 0.00 0.00 0.00 179.25 179.30 3gqy n MET 22 N -4.48 0.25 -1.82 0.00 0.00 -1.09 -4.69 117.12 105.29 3gqy n MET 22 Ca -0.00 -0.07 -0.39 0.00 0.00 0.00 0.00 57.70 57.24 3gqy n MET 22 Cb 0.10 -1.50 0.03 0.00 0.00 0.00 0.00 33.22 31.85 3gqy n MET 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gqy s ALA 23 N -2.80 2.98 -2.15 3.17 0.00 -1.05 -4.92 121.76 116.99 3gqy s ALA 23 Ca 0.19 1.35 0.26 0.00 0.00 0.00 0.00 51.96 53.77 3gqy s ALA 23 Cb 0.19 -3.56 0.75 0.00 0.00 0.00 0.00 23.12 20.50 3gqy s ALA 23 CO 0.54 -1.26 1.57 -0.25 0.00 0.00 0.00 175.76 176.36 3gqy n ASP 24 N -0.69 1.44 -4.08 0.00 8.00 -1.26 -4.85 116.55 115.11 3gqy n ASP 24 Ca 0.08 -1.26 -0.11 0.00 0.71 0.00 0.00 54.79 54.22 3gqy n ASP 24 Cb 0.44 0.10 -0.11 0.00 -0.02 0.00 0.00 41.12 41.54 3gqy n ASP 24 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gqy s THR 25 N -2.27 0.46 0.17 -3.53 -4.23 -1.26 -5.06 115.64 99.92 3gqy s THR 25 Ca 0.29 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 3gqy s THR 25 Cb 0.20 -0.94 0.07 0.00 1.34 0.00 0.00 72.50 73.17 3gqy s THR 25 CO 0.44 -0.61 1.69 0.15 -0.54 0.00 0.00 174.62 175.75 3gqy h PHE 26 N 3.96 1.01 -0.57 3.99 3.04 -1.99 -1.29 116.94 125.09 3gqy h PHE 26 Ca -0.35 -0.12 0.07 0.00 3.98 0.00 0.00 57.97 61.55 3gqy h PHE 26 Cb 1.19 -0.29 -0.06 0.00 2.56 0.00 0.00 35.95 39.35 3gqy h PHE 26 CO 0.62 0.85 0.26 1.25 -2.02 0.00 0.00 178.31 179.28 3gqy h LEU 27 N 0.88 0.33 -0.88 0.59 5.85 -1.99 -0.34 115.31 119.75 3gqy h LEU 27 Ca 0.19 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3gqy h LEU 27 Cb 0.35 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3gqy h LEU 27 CO 0.00 0.22 -0.35 -0.08 -0.34 0.00 0.00 178.44 177.89 3gqy h GLU 28 N 0.49 0.40 -0.06 1.25 4.57 -1.95 -1.38 114.58 117.91 3gqy h GLU 28 Ca 0.27 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 3gqy h GLU 28 Cb 0.25 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.79 3gqy h GLU 28 CO -0.22 0.70 -0.12 1.25 -1.18 0.00 0.00 179.01 179.44 3gqy h HIS 29 N 0.34 -0.31 -0.21 0.92 2.76 -0.38 -1.86 115.15 116.42 3gqy h HIS 29 Ca 0.04 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3gqy h HIS 29 Cb 0.78 0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.85 3gqy h HIS 29 CO 0.02 -0.18 -0.05 0.52 -1.30 0.00 0.00 177.93 176.94 3gqy h MET 30 N -0.18 0.00 -0.21 5.26 2.86 -0.87 -1.86 114.93 119.94 3gqy h MET 30 Ca 0.06 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3gqy h MET 30 Cb 0.26 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3gqy h MET 30 CO -0.16 0.00 0.30 0.00 1.06 0.00 0.00 176.91 178.11 3gqy n ARG 32 N -3.56 0.91 -1.70 0.00 1.74 -0.72 -4.95 116.66 108.37 3gqy n ARG 32 Ca 0.03 -0.71 -0.44 0.00 -0.77 0.00 0.00 57.85 55.96 3gqy n ARG 32 Cb 0.42 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.43 3.68 -3.86 0.55 4.77 -0.69 -4.37 117.00 116.66 3gqy n LEU 33 Ca 0.09 1.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.88 3gqy n LEU 33 Cb 0.42 -1.52 -0.16 0.00 -2.33 0.00 0.00 43.42 39.83 3gqy n LEU 33 CO 0.30 -0.05 -0.41 -0.62 -1.33 0.00 0.00 177.39 175.29 3gqy s ASP 34 N 0.87 2.88 0.18 -1.43 3.68 -1.26 -5.00 116.67 116.59 3gqy s ASP 34 Ca 0.73 -0.71 0.19 0.00 2.13 0.00 0.00 52.55 54.89 3gqy s ASP 34 Cb -0.57 -0.86 0.83 0.00 -1.45 0.00 0.00 42.92 40.87 3gqy s ASP 34 CO 0.39 -0.21 1.57 2.30 0.13 0.00 0.00 175.17 179.35 3gqy n ILE 35 N 4.90 1.03 -0.24 4.11 -5.35 -1.26 -1.69 119.36 120.86 3gqy n ILE 35 Ca -0.11 0.36 0.11 0.00 -0.27 0.00 0.00 62.75 62.85 3gqy n ILE 35 Cb 0.47 -1.27 0.29 0.00 -1.74 0.00 0.00 39.64 37.39 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 -1.99 3.79 -4.28 7.28 10.43 -1.26 -4.80 116.55 125.71 3gqy n ASP 36 Ca 0.01 -1.99 -0.44 0.00 2.57 0.00 0.00 54.79 54.94 3gqy n ASP 36 Cb 0.15 -0.43 -0.06 0.00 1.84 0.00 0.00 41.12 42.63 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 6.08 0.41 -2.24 0.15 -0.68 -4.95 113.70 111.40 3gqy s SER 37 Ca 0.45 -1.91 -0.24 0.00 0.70 0.00 0.00 55.95 54.95 3gqy s SER 37 Cb 0.24 -2.15 -0.09 0.00 -1.71 0.00 0.00 66.02 62.31 3gqy s SER 37 CO 0.32 -0.78 1.07 -2.16 1.20 0.00 0.00 173.24 172.88 3gqy s PRO 38 N 1.40 4.08 0.94 5.44 0.05 -1.26 -4.33 135.00 141.32 3gqy s PRO 38 Ca 0.05 1.54 -0.12 0.00 0.05 0.00 0.00 61.00 62.52 3gqy s PRO 38 Cb -0.27 -2.49 0.15 0.00 0.05 0.00 0.00 34.50 31.94 3gqy s PRO 38 CO 0.01 -0.22 1.11 -1.25 0.05 0.00 0.00 177.00 176.70 3gqy s PRO 39 N -2.58 0.93 1.03 0.56 0.04 -1.26 -0.79 135.00 132.93 3gqy s PRO 39 Ca 0.59 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 3gqy s PRO 39 Cb -0.22 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.73 3gqy s PRO 39 CO 0.28 -2.38 1.09 0.96 0.04 0.00 0.00 177.00 176.98 3gqy s ILE 40 N -3.09 1.98 0.21 0.56 -4.36 -1.26 -4.76 121.20 110.48 3gqy s ILE 40 Ca 0.64 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 61.08 3gqy s ILE 40 Cb -0.17 -2.46 -0.08 0.00 1.25 0.00 0.00 42.46 41.00 3gqy s ILE 40 CO 0.56 0.00 1.50 0.74 0.24 0.00 0.00 174.94 177.97 3gqy h THR 41 N -2.03 1.44 -3.70 8.37 2.02 -1.91 -3.45 112.91 113.66 3gqy h THR 41 Ca -0.55 -2.27 -0.52 0.00 0.77 0.00 0.00 66.41 63.84 3gqy h THR 41 Cb 1.33 2.21 0.04 0.00 -1.74 0.00 0.00 68.15 70.00 3gqy h THR 41 CO 0.56 0.66 0.60 0.00 0.37 0.00 0.00 175.52 177.71 3gqy s ALA 42 N -3.51 3.48 -0.19 6.16 0.00 -1.26 -5.03 121.76 121.41 3gqy s ALA 42 Ca -0.03 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 3gqy s ALA 42 Cb 0.11 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3gqy s ALA 42 CO 0.80 -0.48 -0.16 0.50 0.00 0.00 0.00 175.76 176.43 3gqy s ARG 43 N -1.15 3.11 0.05 0.00 3.00 -1.26 -4.88 118.95 117.82 3gqy s ARG 43 Ca 0.50 -0.77 0.12 0.00 -1.00 0.00 0.00 55.73 54.57 3gqy s ARG 43 Cb -0.37 -2.68 -0.18 0.00 0.00 0.00 0.00 34.95 31.72 3gqy s ARG 43 CO 0.45 -0.18 0.96 -0.91 0.00 0.00 0.00 175.30 175.61 3gqy h ASN 44 N 7.92 0.00 -3.27 -2.12 2.35 -1.91 -3.46 115.58 115.09 3gqy h ASN 44 Ca -0.43 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.73 3gqy h ASN 44 Cb 1.15 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.44 3gqy h ASN 44 CO 0.62 0.90 0.49 -0.89 -1.65 0.00 0.00 177.43 176.89 3gqy s THR 45 N -2.71 4.83 0.34 2.81 2.01 -1.26 -0.71 115.64 120.94 3gqy s THR 45 Ca -0.02 1.62 -0.28 0.00 0.31 0.00 0.00 61.69 63.32 3gqy s THR 45 Cb 0.09 -4.14 -0.10 0.00 0.01 0.00 0.00 72.50 68.36 3gqy s THR 45 CO 0.81 -0.06 1.32 -0.83 -0.69 0.00 0.00 174.62 175.17 3gqy s GLY 46 N 1.29 2.99 -0.23 4.40 0.00 -0.91 -4.84 107.32 110.02 3gqy s GLY 46 Ca 0.36 1.28 -0.05 0.00 0.00 0.00 0.00 44.72 46.31 3gqy s GLY 46 CO 0.08 1.92 0.01 -0.42 0.00 0.00 0.00 173.10 174.70 3gqy s ILE 47 N -1.15 3.89 -0.24 0.90 1.01 -1.26 -1.14 121.20 123.21 3gqy s ILE 47 Ca 0.50 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 3gqy s ILE 47 Cb -0.40 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3gqy s ILE 47 CO 0.53 0.39 0.10 -0.63 0.00 0.00 0.00 174.94 175.33 3gqy s ILE 48 N 1.41 4.69 -0.15 2.92 1.01 0.33 -1.22 121.20 130.18 3gqy s ILE 48 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 3gqy s ILE 48 Cb -0.15 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.13 3gqy s ILE 48 CO 0.01 0.36 -0.12 0.00 0.00 0.00 0.00 174.94 175.18 3gqy s THR 50 N 0.66 4.37 -0.12 0.00 2.01 -0.19 -0.47 115.64 121.89 3gqy s THR 50 Ca -0.06 1.70 -0.10 0.00 0.31 0.00 0.00 61.69 63.53 3gqy s THR 50 Cb -0.15 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 3gqy s THR 50 CO 0.02 0.13 0.22 -0.63 -0.69 0.00 0.00 174.62 173.67 3gqy s ILE 51 N 1.09 5.36 0.00 1.82 -1.09 -0.43 -2.50 121.20 125.45 3gqy s ILE 51 Ca 0.56 0.40 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 3gqy s ILE 51 Cb -0.26 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3gqy s ILE 51 CO 0.28 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 3gqy n GLY 52 N 2.52 3.66 0.41 6.18 0.00 -1.23 -4.76 105.19 111.97 3gqy n GLY 52 Ca -0.16 -1.01 0.21 0.00 0.00 0.00 0.00 46.02 45.06 3gqy n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy h PRO 53 N 0.00 0.36 0.00 1.61 0.13 -1.82 -0.96 132.00 131.32 3gqy h PRO 53 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3gqy h PRO 53 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 3gqy h PRO 53 CO 0.00 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.01 3gqy h ALA 54 N 1.60 1.00 0.00 -0.56 0.00 -1.49 -3.37 119.26 116.44 3gqy h ALA 54 Ca 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 3gqy h ALA 54 Cb 1.35 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 3gqy h ALA 54 CO -0.20 0.00 -0.57 -1.13 0.00 0.00 0.00 179.25 177.35 3gqy n SER 55 N -2.78 0.16 -0.07 0.00 3.41 -0.42 -4.91 113.62 109.01 3gqy n SER 55 Ca 0.02 -1.97 -0.04 0.00 -0.26 0.00 0.00 58.87 56.62 3gqy n SER 55 Cb 0.32 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 3gqy n SER 55 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gqy n ARG 56 N 0.08 0.91 -2.10 4.33 0.63 -0.85 -4.28 116.66 115.39 3gqy n ARG 56 Ca 0.01 -0.05 -0.36 0.00 -0.92 0.00 0.00 57.85 56.52 3gqy n ARG 56 Cb 0.77 -1.47 0.02 0.00 0.45 0.00 0.00 32.46 32.23 3gqy n ARG 56 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3gqy s SER 57 N -4.99 5.60 0.23 6.15 1.04 -1.26 -4.79 113.70 115.68 3gqy s SER 57 Ca -0.09 2.38 -0.06 0.00 0.48 0.00 0.00 55.95 58.67 3gqy s SER 57 Cb 0.07 -2.60 0.36 0.00 0.10 0.00 0.00 66.02 63.95 3gqy s SER 57 CO 0.77 -1.31 1.80 0.58 0.98 0.00 0.00 173.24 176.05 3gqy h VAL 58 N 1.33 0.89 -0.24 5.02 2.07 -1.93 0.10 116.25 123.49 3gqy h VAL 58 Ca -0.50 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 66.84 3gqy h VAL 58 Cb 1.28 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3gqy h VAL 58 CO 0.57 0.13 -0.22 -0.08 0.02 0.00 0.00 177.57 177.99 3gqy h GLU 59 N 0.71 -0.22 -0.17 1.57 4.81 -1.95 -1.02 114.58 118.32 3gqy h GLU 59 Ca 0.37 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.45 3gqy h GLU 59 Cb 0.35 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3gqy h GLU 59 CO -0.25 -0.15 -0.57 1.15 -0.73 0.00 0.00 179.01 178.47 3gqy h THR 60 N -0.23 1.33 -0.92 0.32 2.02 -1.77 -3.10 112.91 110.57 3gqy h THR 60 Ca 0.14 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.49 3gqy h THR 60 Cb 0.44 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 3gqy h THR 60 CO -0.38 0.57 0.58 -0.07 0.37 0.00 0.00 175.52 176.59 3gqy h LEU 61 N 0.40 1.07 -0.87 2.58 3.38 -0.37 0.29 115.31 121.79 3gqy h LEU 61 Ca 0.00 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3gqy h LEU 61 Cb 1.11 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3gqy h LEU 61 CO 0.10 0.80 0.55 0.11 0.09 0.00 0.00 178.44 180.10 3gqy h LYS 62 N 1.25 1.02 -0.26 1.13 1.57 -1.12 -0.76 116.57 119.41 3gqy h LYS 62 Ca 0.33 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3gqy h LYS 62 Cb -0.10 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.97 3gqy h LYS 62 CO -0.07 0.68 -0.41 0.93 -0.57 0.00 0.00 179.45 180.01 3gqy h GLU 63 N 1.05 0.61 -0.57 3.15 4.39 -1.34 -1.38 114.58 120.50 3gqy h GLU 63 Ca 0.36 -0.31 0.05 0.00 0.34 0.00 0.00 59.36 59.79 3gqy h GLU 63 Cb 0.06 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 3gqy h GLU 63 CO -0.14 0.91 0.30 0.52 -1.16 0.00 0.00 179.01 179.44 3gqy h MET 64 N 0.50 0.56 -0.06 2.33 2.86 -0.32 0.77 114.93 121.57 3gqy h MET 64 Ca 0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gqy h MET 64 Cb 0.92 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 3gqy h MET 64 CO 0.08 0.37 0.02 0.82 1.06 0.00 0.00 176.91 179.26 3gqy h ILE 65 N 0.58 1.16 -0.25 -1.22 2.04 -0.98 -1.26 117.51 117.58 3gqy h ILE 65 Ca 0.25 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3gqy h ILE 65 Cb 0.15 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3gqy h ILE 65 CO -0.17 0.13 0.10 0.11 0.00 0.00 0.00 178.15 178.33 3gqy h LYS 66 N -0.09 0.34 0.00 2.37 1.57 -0.94 -1.83 116.57 117.99 3gqy h LYS 66 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3gqy h LYS 66 Cb 0.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3gqy h LYS 66 CO -0.00 0.28 0.00 0.77 -0.57 0.00 0.00 179.45 179.93 3gqy h SER 67 N 0.34 0.00 0.00 0.86 0.02 -0.65 -3.47 113.55 110.65 3gqy h SER 67 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3gqy h SER 67 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3gqy h SER 67 CO -0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.29 3gqy n GLY 68 N 0.62 -0.01 3.67 -3.77 0.00 -0.69 -4.22 105.19 100.79 3gqy n GLY 68 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.57 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 2.06 -0.07 1.61 0.00 -0.53 -4.53 117.12 115.66 3gqy n MET 69 Ca 0.00 0.75 -0.07 0.00 0.00 0.00 0.00 57.70 58.38 3gqy n MET 69 Cb 0.00 -2.53 -0.11 0.00 0.00 0.00 0.00 33.22 30.58 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 4.44 1.64 -3.84 6.12 5.03 -0.36 -4.64 115.26 123.66 3gqy n ASN 70 Ca 0.19 -0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.46 3gqy n ASN 70 Cb 0.28 0.80 -0.16 0.00 -1.02 0.00 0.00 39.78 39.68 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 -2.33 0.28 -0.31 2.41 1.01 -1.10 -1.39 120.40 118.97 3gqy s VAL 71 Ca -0.07 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 3gqy s VAL 71 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3gqy s VAL 71 CO 0.56 0.17 0.44 0.00 0.00 0.00 0.00 175.10 176.27 3gqy s ALA 72 N 1.03 3.53 -0.22 5.51 0.00 0.26 -0.88 121.76 130.98 3gqy s ALA 72 Ca -0.10 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3gqy s ALA 72 Cb -0.14 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.07 3gqy s ALA 72 CO -0.01 -0.92 0.19 0.50 0.00 0.00 0.00 175.76 175.52 3gqy s ARG 73 N 2.21 4.11 -0.22 0.00 3.52 0.37 -0.95 118.95 128.00 3gqy s ARG 73 Ca 0.17 -0.18 -0.05 0.00 -0.13 0.00 0.00 55.73 55.54 3gqy s ARG 73 Cb -0.16 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.70 3gqy s ARG 73 CO 0.11 0.09 -0.00 -0.51 -0.81 0.00 0.00 175.30 174.18 3gqy s LEU 74 N 0.96 3.16 -0.49 -0.88 1.43 -0.25 -1.31 118.68 121.29 3gqy s LEU 74 Ca 0.10 -0.27 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 3gqy s LEU 74 Cb -0.13 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.31 3gqy s LEU 74 CO 0.04 0.01 0.76 0.21 0.23 0.00 0.00 176.35 177.61 3gqy s ASN 75 N 1.30 6.32 0.00 2.29 3.84 -1.26 -0.75 114.94 126.68 3gqy s ASN 75 Ca 0.04 -0.45 0.10 0.00 0.21 0.00 0.00 52.86 52.77 3gqy s ASN 75 Cb -0.15 -2.36 0.52 0.00 -0.55 0.00 0.00 41.25 38.71 3gqy s ASN 75 CO 0.01 -0.98 1.35 0.49 -2.79 0.00 0.00 177.10 175.17 3gqy n PHE 76 N 6.72 0.09 0.32 0.43 3.01 0.28 -2.74 117.46 125.58 3gqy n PHE 76 Ca -0.01 -0.05 0.20 0.00 1.01 0.00 0.00 57.45 58.60 3gqy n PHE 76 Cb 0.47 0.00 1.10 0.00 -0.01 0.00 0.00 39.48 41.04 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 0.56 0.00 -4.12 4.37 0.02 -1.81 -3.39 113.55 109.18 3gqy h SER 77 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 3gqy h SER 77 Cb 0.13 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.52 3gqy h SER 77 CO 0.00 0.00 -0.69 -1.00 -1.14 0.00 0.00 176.83 174.01 3gqy s HIS 78 N -4.29 1.30 0.00 3.45 3.76 -1.11 -5.02 115.29 113.39 3gqy s HIS 78 Ca -0.05 -0.88 0.00 0.00 -0.15 0.00 0.00 55.06 53.99 3gqy s HIS 78 Cb 0.14 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 33.11 3gqy s HIS 78 CO 0.46 -0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.72 3gqy n GLY 79 N -0.25 -1.46 3.92 -2.22 0.00 -1.26 -4.89 105.19 99.03 3gqy n GLY 79 Ca -0.08 -1.46 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.34 4.16 0.26 2.61 -4.23 -1.26 -4.93 115.64 108.91 3gqy s THR 80 Ca 0.00 -0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 3gqy s THR 80 Cb 0.00 -3.60 0.25 0.00 1.34 0.00 0.00 72.50 70.50 3gqy s THR 80 CO 0.00 -0.55 1.88 0.45 -0.54 0.00 0.00 174.62 175.85 3gqy h HIS 81 N 0.11 1.15 -0.37 3.99 -0.00 -1.99 -1.05 115.15 116.99 3gqy h HIS 81 Ca -0.46 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.00 3gqy h HIS 81 Cb 1.24 -0.38 -0.06 0.00 -0.00 0.00 0.00 27.41 28.21 3gqy h HIS 81 CO 0.50 0.61 0.04 1.49 -0.00 0.00 0.00 177.93 180.57 3gqy h GLU 82 N 1.14 0.14 -0.18 2.45 4.81 -1.99 0.32 114.58 121.28 3gqy h GLU 82 Ca 0.41 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3gqy h GLU 82 Cb 0.13 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3gqy h GLU 82 CO -0.16 0.09 0.09 -0.92 -0.73 0.00 0.00 179.01 177.38 3gqy h TYR 83 N 0.15 0.25 -0.48 0.92 3.20 -1.78 -2.37 116.97 116.85 3gqy h TYR 83 Ca 0.18 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3gqy h TYR 83 Cb 0.23 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 3gqy h TYR 83 CO -0.22 0.25 -0.08 0.45 -1.64 0.00 0.00 178.16 176.91 3gqy h HIS 84 N 0.17 0.93 -0.97 -3.82 3.86 -0.94 -1.37 115.15 113.01 3gqy h HIS 84 Ca 0.06 -0.16 0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3gqy h HIS 84 Cb 0.09 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 3gqy h HIS 84 CO -0.03 0.89 0.63 0.00 0.86 0.00 0.00 177.93 180.27 3gqy h ALA 85 N 1.13 1.32 -0.26 2.45 0.00 -0.85 -0.23 119.26 122.82 3gqy h ALA 85 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gqy h ALA 85 Cb 0.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gqy h ALA 85 CO 0.04 0.45 0.08 0.93 0.00 0.00 0.00 179.25 180.75 3gqy h GLU 86 N 1.17 0.41 -0.37 0.00 5.08 -0.85 -1.26 114.58 118.76 3gqy h GLU 86 Ca 0.41 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 3gqy h GLU 86 Cb 0.10 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3gqy h GLU 86 CO -0.15 0.49 0.12 1.15 -1.00 0.00 0.00 179.01 179.61 3gqy h THR 87 N 0.26 0.88 -0.75 1.13 2.02 -0.74 -0.68 112.91 115.03 3gqy h THR 87 Ca 0.08 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3gqy h THR 87 Cb 0.25 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3gqy h THR 87 CO -0.00 0.05 0.49 0.40 0.37 0.00 0.00 175.52 176.83 3gqy h ILE 88 N 0.26 1.18 -0.53 3.11 2.04 -0.93 -0.33 117.51 122.31 3gqy h ILE 88 Ca 0.17 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3gqy h ILE 88 Cb 0.16 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3gqy h ILE 88 CO -0.18 0.18 0.35 0.50 0.00 0.00 0.00 178.15 178.99 3gqy h LYS 89 N 0.99 0.68 -0.59 2.37 3.64 -0.78 -1.52 116.57 121.36 3gqy h LYS 89 Ca 0.28 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3gqy h LYS 89 Cb -0.09 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 3gqy h LYS 89 CO -0.07 0.45 0.31 -0.91 -2.27 0.00 0.00 179.45 176.97 3gqy h ASN 90 N 0.70 0.75 -0.42 4.20 4.21 -0.54 0.94 115.58 125.43 3gqy h ASN 90 Ca 0.20 -0.11 0.03 0.00 1.21 0.00 0.00 56.30 57.63 3gqy h ASN 90 Cb -0.06 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 36.91 3gqy h ASN 90 CO -0.05 0.64 0.22 0.58 -1.29 0.00 0.00 177.43 177.53 3gqy h VAL 91 N 0.81 0.99 -0.42 2.81 2.07 -0.83 -0.76 116.25 120.92 3gqy h VAL 91 Ca 0.21 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 3gqy h VAL 91 Cb 0.07 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3gqy h VAL 91 CO -0.03 0.08 -0.07 0.03 0.02 0.00 0.00 177.57 177.60 3gqy h ARG 92 N 0.44 0.79 -0.43 1.57 3.08 -1.01 0.12 114.38 118.94 3gqy h ARG 92 Ca 0.17 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3gqy h ARG 92 Cb 0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3gqy h ARG 92 CO -0.11 0.90 0.22 1.15 -1.07 0.00 0.00 179.97 181.06 3gqy h THR 93 N 0.62 0.99 -0.24 2.04 2.02 -0.67 0.17 112.91 117.84 3gqy h THR 93 Ca 0.11 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3gqy h THR 93 Cb 0.58 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3gqy h THR 93 CO 0.03 0.08 0.05 0.00 0.37 0.00 0.00 175.52 176.05 3gqy h ALA 94 N 1.22 0.31 -0.28 6.16 0.00 -0.94 -1.51 119.26 124.22 3gqy h ALA 94 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqy h ALA 94 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gqy h ALA 94 CO -0.12 -0.02 0.17 1.15 0.00 0.00 0.00 179.25 180.43 3gqy h THR 95 N 0.20 1.09 0.00 0.00 2.02 -0.55 -2.89 112.91 112.78 3gqy h THR 95 Ca 0.07 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3gqy h THR 95 Cb 0.30 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3gqy h THR 95 CO 0.00 0.09 0.00 -0.62 0.37 0.00 0.00 175.52 175.36 3gqy n GLU 96 N -4.87 0.23 0.28 6.66 -0.58 0.58 -2.91 120.64 120.03 3gqy n GLU 96 Ca -0.02 0.35 0.16 0.00 -0.42 0.00 0.00 57.16 57.23 3gqy n GLU 96 Cb 0.04 -1.86 0.92 0.00 -0.57 0.00 0.00 31.44 29.98 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 0.07 1.62 4.64 -1.04 -1.35 113.55 117.49 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 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3gqy h SER 97 CO 0.00 0.00 -0.13 0.49 -0.87 0.00 0.00 176.83 176.32 3gqy n PHE 98 N -3.79 0.00 0.28 4.77 3.72 -1.15 -4.42 117.46 116.87 3gqy n PHE 98 Ca -0.02 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 3gqy n PHE 98 Cb 0.13 -0.04 0.77 0.00 -0.94 0.00 0.00 39.48 39.39 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 4.11 1.12 0.00 4.37 0.00 -1.41 -3.07 119.26 124.39 3gqy h ALA 99 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gqy h ALA 99 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gqy h ALA 99 CO 0.00 0.10 0.00 0.66 0.00 0.00 0.00 179.25 180.01 3gqy h SER 100 N 0.00 0.00 -3.79 0.00 4.64 -1.78 -3.27 113.55 109.36 3gqy h SER 100 Ca -0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.65 3gqy h SER 100 Cb 0.38 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.08 3gqy h SER 100 CO 0.01 0.00 -0.66 -0.62 -0.87 0.00 0.00 176.83 174.69 3gqy s ASP 101 N -4.71 4.80 0.56 4.97 -1.08 -1.16 -5.00 116.67 115.05 3gqy s ASP 101 Ca 0.04 -2.31 0.23 0.00 -0.52 0.00 0.00 52.55 50.00 3gqy s ASP 101 Cb 0.09 -1.68 1.53 0.00 -1.46 0.00 0.00 42.92 41.41 3gqy s ASP 101 CO 0.46 -0.38 2.17 -0.65 0.52 0.00 0.00 175.17 177.28 3gqy h PRO 102 N 7.48 0.00 -0.18 4.34 0.11 -1.79 -0.55 132.00 141.41 3gqy h PRO 102 Ca -0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3gqy h PRO 102 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3gqy h PRO 102 CO 0.59 0.00 -0.24 0.82 -0.21 0.00 0.00 178.00 178.96 3gqy h ILE 103 N 0.00 1.24 0.00 4.15 1.08 -1.92 -3.25 117.51 118.82 3gqy h ILE 103 Ca 0.03 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.36 3gqy h ILE 103 Cb 0.16 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3gqy h ILE 103 CO -0.00 0.35 -1.18 0.18 -0.69 0.00 0.00 178.15 176.82 3gqy n LEU 104 N -4.16 0.69 -4.71 1.44 4.77 -0.30 -4.70 117.00 110.02 3gqy n LEU 104 Ca -0.01 -0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 3gqy n LEU 104 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3gqy n LEU 104 CO 0.40 0.17 1.15 0.00 -1.33 0.00 0.00 177.39 177.78 3gqy n TYR 105 N -1.65 2.54 -4.08 -1.77 9.36 -0.65 -5.01 117.16 115.91 3gqy n TYR 105 Ca 0.02 0.32 -0.32 0.00 3.32 0.00 0.00 57.90 61.24 3gqy n TYR 105 Cb 0.36 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.37 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 -0.35 2.64 0.53 2.98 0.52 -1.26 -4.85 118.95 119.16 3gqy s ARG 106 Ca 0.67 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.85 3gqy s ARG 106 Cb -0.57 -2.47 -0.07 0.00 0.52 0.00 0.00 34.95 32.37 3gqy s ARG 106 CO 0.48 -0.28 1.04 -2.30 0.02 0.00 0.00 175.30 174.26 3gqy n PRO 107 N 4.65 1.18 -3.93 3.54 -0.02 -1.26 -4.99 135.00 134.17 3gqy n PRO 107 Ca -0.19 0.44 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 3gqy n PRO 107 Cb 0.49 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.61 3gqy n PRO 107 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gqy s VAL 108 N -1.41 0.46 0.44 -1.45 1.01 -1.26 -4.91 120.40 113.29 3gqy s VAL 108 Ca 0.71 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.62 3gqy s VAL 108 Cb -0.46 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3gqy s VAL 108 CO 0.51 0.25 0.78 0.00 0.00 0.00 0.00 175.10 176.63 3gqy s ALA 109 N 1.53 3.37 -0.15 5.51 0.00 -0.49 -4.93 121.76 126.61 3gqy s ALA 109 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3gqy s ALA 109 Cb -0.13 -2.65 -0.00 0.00 0.00 0.00 0.00 23.12 20.34 3gqy s ALA 109 CO -0.03 -0.18 -0.15 0.08 0.00 0.00 0.00 175.76 175.47 3gqy s VAL 110 N -2.56 2.65 -0.11 0.00 1.01 -1.26 -0.58 120.40 119.56 3gqy s VAL 110 Ca 0.49 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3gqy s VAL 110 Cb -0.10 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3gqy s VAL 110 CO 0.38 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.82 3gqy s ALA 111 N 0.81 2.42 -0.31 5.51 0.00 -0.13 -0.94 121.76 129.13 3gqy s ALA 111 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 50.82 3gqy s ALA 111 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 3gqy s ALA 111 CO -0.00 0.30 0.35 -1.17 0.00 0.00 0.00 175.76 175.23 3gqy s LEU 112 N 0.23 4.22 -0.32 0.00 0.20 -0.10 -1.09 118.68 121.81 3gqy s LEU 112 Ca -0.12 0.01 -0.12 0.00 0.69 0.00 0.00 54.13 54.59 3gqy s LEU 112 Cb -0.16 -2.35 -0.02 0.00 -0.43 0.00 0.00 46.19 43.23 3gqy s LEU 112 CO 0.06 -0.24 0.20 -0.62 -0.29 0.00 0.00 176.35 175.47 3gqy s ASP 113 N 1.70 5.90 0.64 3.68 -1.08 0.07 -0.04 116.67 127.54 3gqy s ASP 113 Ca 0.13 -0.36 -0.14 0.00 -0.52 0.00 0.00 52.55 51.65 3gqy s ASP 113 Cb -0.16 -2.09 -0.02 0.00 -1.46 0.00 0.00 42.92 39.19 3gqy s ASP 113 CO 0.11 -0.18 1.06 0.42 0.52 0.00 0.00 175.17 177.10 3gqy s THR 114 N 1.70 3.83 -0.00 1.71 -4.23 -0.47 -0.56 115.64 117.63 3gqy s THR 114 Ca 0.06 0.77 -0.24 0.00 -1.18 0.00 0.00 61.69 61.09 3gqy s THR 114 Cb -0.17 -3.36 -0.17 0.00 1.34 0.00 0.00 72.50 70.14 3gqy s THR 114 CO 0.09 -0.61 1.21 0.50 -0.54 0.00 0.00 174.62 175.27 3gqy h LYS 115 N -0.00 -0.25 0.00 3.99 3.64 -1.92 -3.39 116.57 118.63 3gqy h LYS 115 Ca -0.46 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3gqy h LYS 115 Cb 1.22 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3gqy h LYS 115 CO 0.57 0.11 0.00 0.41 -2.27 0.00 0.00 179.45 178.27 3gqy n GLY 116 N -0.07 -1.17 2.96 5.01 0.00 -1.26 -4.22 105.19 106.45 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 -0.59 1.83 -3.03 1.61 -0.04 -1.26 -4.93 135.00 128.59 3gqy n PRO 117 Ca 0.00 -1.93 -0.32 0.00 -0.04 0.00 0.00 63.50 61.21 3gqy n PRO 117 Cb 0.00 -2.92 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.47 4.03 -0.15 0.54 2.02 -1.26 -5.00 118.70 123.35 3gqy s GLU 118 Ca 0.54 0.76 0.01 0.00 0.02 0.00 0.00 54.97 56.29 3gqy s GLU 118 Cb 0.14 -2.37 -0.00 0.00 0.10 0.00 0.00 34.13 32.00 3gqy s GLU 118 CO 0.06 0.09 -0.16 0.42 0.02 0.00 0.00 175.26 175.69 3gqy s ILE 119 N -2.07 2.60 0.05 -1.63 1.01 -1.26 -4.91 121.20 114.99 3gqy s ILE 119 Ca 0.56 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3gqy s ILE 119 Cb -0.10 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3gqy s ILE 119 CO 0.18 0.52 -0.15 -0.13 0.00 0.00 0.00 174.94 175.36 3gqy s ARG 120 N 0.77 0.93 0.89 2.79 1.81 -1.26 -0.90 118.95 123.99 3gqy s ARG 120 Ca -0.06 -0.86 -0.12 0.00 -1.72 0.00 0.00 55.73 52.97 3gqy s ARG 120 Cb -0.15 -0.97 0.18 0.00 -0.45 0.00 0.00 34.95 33.56 3gqy s ARG 120 CO 0.00 0.23 1.23 0.95 -0.68 0.00 0.00 175.30 177.04 3gqy s THR 121 N -1.00 2.04 0.00 0.02 -4.23 -0.63 -1.46 115.64 110.38 3gqy s THR 121 Ca 0.01 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 3gqy s THR 121 Cb -0.09 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.87 3gqy s THR 121 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3gqy n GLY 122 N -3.51 1.25 3.76 3.99 0.00 -0.53 -3.56 105.19 106.60 3gqy n GLY 122 Ca 0.15 -1.96 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 4.39 -0.26 0.99 1.43 -0.91 -0.94 118.68 123.38 3gqy s LEU 123 Ca 0.00 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 3gqy s LEU 123 Cb 0.00 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 3gqy s LEU 123 CO 0.00 0.09 1.58 -0.63 0.23 0.00 0.00 176.35 177.62 3gqy s ILE 124 N -0.07 3.75 -1.49 -0.59 -1.09 -1.23 -1.15 121.20 119.32 3gqy s ILE 124 Ca 0.29 0.83 -0.05 0.00 -2.23 0.00 0.00 60.65 59.49 3gqy s ILE 124 Cb -0.17 -3.80 0.04 0.00 -1.58 0.00 0.00 42.46 36.94 3gqy s ILE 124 CO 0.15 -0.37 0.48 0.29 -1.23 0.00 0.00 174.94 174.26 3gqy n LYS 125 N 7.74 -3.10 -0.85 2.79 5.02 -0.46 -0.73 118.16 128.57 3gqy n LYS 125 Ca 0.18 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 3gqy n LYS 125 Cb 0.46 -4.60 0.00 0.00 -0.02 0.00 0.00 35.03 30.87 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 -1.89 0.43 3.46 0.72 0.00 0.12 -4.99 105.19 103.04 3gqy n GLY 126 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.33 3.83 0.43 1.61 0.15 0.09 -5.02 113.70 112.47 3gqy s SER 127 Ca 0.00 -0.40 0.24 0.00 0.70 0.00 0.00 55.95 56.49 3gqy s SER 127 Cb 0.00 -0.64 0.67 0.00 -1.71 0.00 0.00 66.02 64.34 3gqy s SER 127 CO 0.00 0.27 1.72 1.23 1.20 0.00 0.00 173.24 177.65 3gqy h GLY 128 N 4.62 0.00 0.00 9.45 0.00 -1.94 -3.27 103.07 111.93 3gqy h GLY 128 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3gqy h GLY 128 CO 0.48 0.00 -0.97 -1.30 0.00 0.00 0.00 176.54 174.75 3gqy n THR 129 N -3.21 0.00 -2.14 4.70 -2.24 -1.26 -4.47 114.28 105.66 3gqy n THR 129 Ca 0.02 -0.25 -0.36 0.00 -2.27 0.00 0.00 64.05 61.19 3gqy n THR 129 Cb 0.49 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 69.39 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 -2.36 2.68 0.08 6.98 0.00 -1.26 -4.91 121.76 122.98 3gqy s ALA 130 Ca 0.00 0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.93 3gqy s ALA 130 Cb 0.08 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3gqy s ALA 130 CO 0.45 -0.93 -0.08 -1.21 0.00 0.00 0.00 175.76 173.98 3gqy s GLU 131 N -3.20 0.75 0.08 0.00 2.02 -1.26 -3.97 118.70 113.12 3gqy s GLU 131 Ca 0.73 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 54.68 3gqy s GLU 131 Cb -0.28 -0.37 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 3gqy s GLU 131 CO 0.31 0.04 -0.16 0.14 0.02 0.00 0.00 175.26 175.61 3gqy s VAL 132 N -2.50 1.31 -0.20 2.63 -7.23 -0.23 -4.93 120.40 109.24 3gqy s VAL 132 Ca 0.03 -1.35 -0.20 0.00 -1.81 0.00 0.00 61.98 58.64 3gqy s VAL 132 Cb -0.02 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 3gqy s VAL 132 CO -0.01 -0.15 0.62 -1.61 -0.31 0.00 0.00 175.10 173.64 3gqy s GLU 133 N -1.73 4.20 -0.24 4.82 0.41 -1.26 0.08 118.70 124.97 3gqy s GLU 133 Ca 0.01 0.58 -0.13 0.00 -0.41 0.00 0.00 54.97 55.02 3gqy s GLU 133 Cb -0.10 -3.58 -0.04 0.00 -1.78 0.00 0.00 34.13 28.62 3gqy s GLU 133 CO 0.03 -0.25 0.28 -0.51 -0.49 0.00 0.00 175.26 174.32 3gqy s LEU 134 N 1.95 4.10 -0.16 1.80 1.43 -0.15 -4.88 118.68 122.77 3gqy s LEU 134 Ca 0.28 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3gqy s LEU 134 Cb -0.16 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 3gqy s LEU 134 CO 0.10 -0.04 0.18 -1.59 0.23 0.00 0.00 176.35 175.22 3gqy s LYS 135 N 1.43 3.98 0.25 1.70 0.00 -1.26 -1.72 119.74 124.12 3gqy s LYS 135 Ca 0.13 -0.10 -0.31 0.00 0.00 0.00 0.00 55.97 55.69 3gqy s LYS 135 Cb -0.15 -3.35 -0.13 0.00 0.00 0.00 0.00 37.83 34.20 3gqy s LYS 135 CO 0.07 0.44 1.34 1.63 0.00 0.00 0.00 175.35 178.84 3gqy n LYS 136 N 3.01 1.92 0.00 1.78 4.76 -1.26 -1.15 118.16 127.22 3gqy n LYS 136 Ca -0.16 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 3gqy n LYS 136 Cb 0.53 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 3gqy n LYS 136 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gqy n GLY 137 N 1.86 2.69 3.71 0.72 0.00 0.29 -4.97 105.19 109.49 3gqy n GLY 137 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.09 1.33 -0.01 4.61 0.00 -0.30 -4.66 121.76 120.65 3gqy s ALA 138 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 51.96 51.68 3gqy s ALA 138 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 3gqy s ALA 138 CO 0.00 -2.53 0.25 -0.08 0.00 0.00 0.00 175.76 173.40 3gqy s THR 139 N -2.97 5.33 -0.10 0.00 -1.32 -1.26 -1.39 115.64 113.93 3gqy s THR 139 Ca 0.64 0.16 -0.04 0.00 -1.21 0.00 0.00 61.69 61.24 3gqy s THR 139 Cb -0.18 -3.55 0.05 0.00 -1.51 0.00 0.00 72.50 67.31 3gqy s THR 139 CO 0.57 0.39 0.21 -0.22 -2.21 0.00 0.00 174.62 173.37 3gqy s LEU 140 N -1.68 0.08 -0.23 9.08 2.96 -0.47 -4.74 118.68 123.68 3gqy s LEU 140 Ca 0.26 0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 54.49 3gqy s LEU 140 Cb -0.13 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.06 3gqy s LEU 140 CO 0.15 -0.21 0.33 -0.75 -1.32 0.00 0.00 176.35 174.55 3gqy s LYS 141 N 1.92 4.11 -0.18 1.98 2.20 -0.56 -0.79 119.74 128.42 3gqy s LYS 141 Ca -0.02 0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 55.46 3gqy s LYS 141 Cb -0.12 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 3gqy s LYS 141 CO -0.07 -0.08 0.46 0.42 -0.36 0.00 0.00 175.35 175.72 3gqy s ILE 142 N 1.46 5.16 0.18 5.43 1.01 0.61 -0.23 121.20 134.82 3gqy s ILE 142 Ca 0.15 0.86 0.11 0.00 0.00 0.00 0.00 60.65 61.77 3gqy s ILE 142 Cb -0.15 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3gqy s ILE 142 CO 0.08 0.24 -0.25 0.28 0.00 0.00 0.00 174.94 175.29 3gqy s THR 143 N 1.29 2.35 -1.38 2.92 -1.32 -0.25 -0.88 115.64 118.36 3gqy s THR 143 Ca 0.22 -1.96 0.15 0.00 -1.21 0.00 0.00 61.69 58.89 3gqy s THR 143 Cb -0.15 -2.10 0.01 0.00 -1.51 0.00 0.00 72.50 68.74 3gqy s THR 143 CO 0.09 -0.07 0.81 0.18 -2.21 0.00 0.00 174.62 173.43 3gqy n LEU 144 N 0.42 1.58 -4.63 9.08 4.77 -1.21 -3.06 117.00 123.95 3gqy n LEU 144 Ca -0.14 -0.78 -0.43 0.00 -0.03 0.00 0.00 56.01 54.63 3gqy n LEU 144 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 3gqy n LEU 144 CO 0.28 0.30 1.33 -0.62 -1.33 0.00 0.00 177.39 177.36 3gqy s ASP 145 N -1.72 6.45 0.00 -1.43 2.15 -1.26 -4.88 116.67 115.97 3gqy s ASP 145 Ca 0.12 1.63 0.10 0.00 0.43 0.00 0.00 52.55 54.83 3gqy s ASP 145 Cb 0.12 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.78 3gqy s ASP 145 CO 0.35 -1.20 1.14 0.59 -0.17 0.00 0.00 175.17 175.89 3gqy n ASN 146 N 8.20 0.00 0.24 -0.34 4.13 -1.26 -1.35 115.26 124.88 3gqy n ASN 146 Ca 0.18 -0.11 0.07 0.00 1.68 0.00 0.00 54.58 56.40 3gqy n ASN 146 Cb 0.45 -0.13 0.58 0.00 -1.54 0.00 0.00 39.78 39.14 3gqy n ASN 146 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gqy h ALA 147 N 2.58 1.73 -0.25 5.41 0.00 -2.02 -2.99 119.26 123.73 3gqy h ALA 147 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gqy h ALA 147 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gqy h ALA 147 CO 0.00 0.15 0.00 0.66 0.00 0.00 0.00 179.25 180.06 3gqy n TYR 148 N -4.29 0.31 -0.36 0.00 4.01 -0.46 -4.54 117.16 111.83 3gqy n TYR 148 Ca -0.03 -0.16 0.29 0.00 -0.16 0.00 0.00 57.90 57.84 3gqy n TYR 148 Cb 0.19 -0.00 0.59 0.00 -0.31 0.00 0.00 39.34 39.81 3gqy n TYR 148 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 3gqy h MET 149 N 4.46 0.24 0.00 -0.72 1.85 -1.63 -0.05 114.93 119.08 3gqy h MET 149 Ca 0.00 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 3gqy h MET 149 Cb 0.97 -0.05 -0.02 0.00 0.43 0.00 0.00 31.60 32.93 3gqy h MET 149 CO 0.00 0.16 -0.31 0.39 -0.40 0.00 0.00 176.91 176.75 3gqy n GLU 150 N -4.56 1.28 -2.24 0.39 1.02 -1.26 -2.13 120.64 113.13 3gqy n GLU 150 Ca 0.29 -2.79 -0.08 0.00 -0.02 0.00 0.00 57.16 54.55 3gqy n GLU 150 Cb 1.10 -1.42 0.05 0.00 -0.02 0.00 0.00 31.44 31.15 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 -1.11 2.30 -2.34 3.49 4.76 -0.03 -0.70 118.16 124.52 3gqy n LYS 151 Ca 0.16 -3.62 -0.38 0.00 -2.87 0.00 0.00 58.31 51.60 3gqy n LYS 151 Cb 0.69 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 3gqy n LYS 151 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3gqy n ASP 153 N 0.18 0.00 0.00 0.00 5.68 -0.46 -1.36 116.55 120.59 3gqy n ASP 153 Ca 0.04 -0.56 0.08 0.00 -0.50 0.00 0.00 54.79 53.85 3gqy n ASP 153 Cb 0.47 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.81 3gqy n ASP 153 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3gqy n GLU 154 N 0.00 0.03 -0.13 0.11 0.00 -1.26 -3.52 120.64 115.87 3gqy n GLU 154 Ca 0.00 0.20 -0.21 0.00 0.00 0.00 0.00 57.16 57.16 3gqy n GLU 154 Cb 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.83 3gqy n GLU 154 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3gqy n ASN 155 N -1.47 2.01 -4.03 -1.84 3.02 -1.26 -4.69 115.26 107.00 3gqy n ASN 155 Ca 0.05 0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.37 3gqy n ASN 155 Cb 0.18 -0.52 -0.17 0.00 -0.61 0.00 0.00 39.78 38.67 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 -2.49 1.15 -0.16 2.41 -1.09 -1.23 -1.49 121.20 118.30 3gqy s ILE 156 Ca -0.34 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 3gqy s ILE 156 Cb 0.10 -1.05 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 3gqy s ILE 156 CO 0.53 0.36 -0.12 -0.22 -1.23 0.00 0.00 174.94 174.26 3gqy s LEU 157 N 0.65 1.74 0.15 2.97 2.96 0.68 -1.36 118.68 126.48 3gqy s LEU 157 Ca -0.15 -0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 3gqy s LEU 157 Cb -0.16 -1.13 -0.07 0.00 0.50 0.00 0.00 46.19 45.33 3gqy s LEU 157 CO 0.04 -0.09 0.58 0.86 -1.32 0.00 0.00 176.35 176.42 3gqy s TRP 158 N 1.51 3.63 0.06 5.38 -0.00 -1.26 -1.09 118.94 127.16 3gqy s TRP 158 Ca 0.03 1.14 -0.00 0.00 -0.00 0.00 0.00 56.10 57.27 3gqy s TRP 158 Cb -0.14 -2.42 -0.04 0.00 -0.00 0.00 0.00 33.47 30.87 3gqy s TRP 158 CO -0.10 0.42 -0.04 -0.48 -0.00 0.00 0.00 176.95 176.76 3gqy s LEU 159 N -1.90 2.46 0.00 5.86 0.05 -1.17 -1.45 118.68 122.53 3gqy s LEU 159 Ca 0.38 -0.93 0.22 0.00 0.05 0.00 0.00 54.13 53.85 3gqy s LEU 159 Cb -0.16 0.11 0.52 0.00 -2.05 0.00 0.00 46.19 44.61 3gqy s LEU 159 CO 0.19 -0.52 1.44 -0.90 -0.55 0.00 0.00 176.35 176.02 3gqy n ASP 160 N 0.30 3.00 -4.42 1.48 5.68 -0.53 -4.72 116.55 117.34 3gqy n ASP 160 Ca -0.15 -1.93 -0.44 0.00 -0.50 0.00 0.00 54.79 51.76 3gqy n ASP 160 Cb 0.60 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 40.30 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 -1.50 3.13 0.52 2.11 6.04 -1.26 -4.91 117.35 121.48 3gqy s TYR 161 Ca 0.38 -1.28 0.17 0.00 0.04 0.00 0.00 57.07 56.38 3gqy s TYR 161 Cb 0.21 -4.16 1.31 0.00 -1.04 0.00 0.00 41.96 38.28 3gqy s TYR 161 CO 0.29 -1.40 2.14 1.57 -1.54 0.00 0.00 175.55 176.62 3gqy h LYS 162 N 8.85 0.00 -0.62 4.97 5.09 -1.97 -2.54 116.57 130.35 3gqy h LYS 162 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3gqy h LYS 162 Cb 1.05 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.38 3gqy h LYS 162 CO 1.06 0.00 0.00 0.09 -2.09 0.00 0.00 179.45 178.51 3gqy n ASN 163 N -4.49 3.80 -0.15 7.07 3.02 -1.26 -4.63 115.26 118.62 3gqy n ASN 163 Ca -0.02 -2.29 0.12 0.00 -0.03 0.00 0.00 54.58 52.36 3gqy n ASN 163 Cb 0.13 -0.49 0.46 0.00 -0.61 0.00 0.00 39.78 39.26 3gqy n ASN 163 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gqy h ILE 164 N 3.35 0.88 -0.38 2.41 2.10 -1.88 -2.15 117.51 121.84 3gqy h ILE 164 Ca 0.00 -0.18 -0.06 0.00 1.08 0.00 0.00 64.86 65.70 3gqy h ILE 164 Cb 1.14 0.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.18 3gqy h ILE 164 CO 0.15 0.09 -0.03 0.00 -1.08 0.00 0.00 178.15 177.29 3gqy h LYS 166 N 0.59 0.00 -0.02 0.00 1.57 -1.75 -3.22 116.57 113.74 3gqy h LYS 166 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gqy h LYS 166 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gqy h LYS 166 CO 0.02 0.09 -0.03 1.33 -0.57 0.00 0.00 179.45 180.29 3gqy n VAL 167 N -3.23 0.00 -4.16 0.50 0.24 -1.04 -4.99 118.33 105.66 3gqy n VAL 167 Ca 0.00 -0.49 -0.23 0.00 -2.04 0.00 0.00 64.34 61.59 3gqy n VAL 167 Cb 0.36 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 33.92 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 -1.12 3.32 0.19 3.34 -7.23 -0.96 -4.46 120.40 113.48 3gqy s VAL 168 Ca 0.15 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 3gqy s VAL 168 Cb 0.11 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 3gqy s VAL 168 CO 0.18 -0.26 0.11 -1.61 -0.31 0.00 0.00 175.10 173.20 3gqy s GLU 169 N -3.79 1.16 0.22 4.82 0.41 -1.26 -4.94 118.70 115.31 3gqy s GLU 169 Ca 0.35 -1.60 -0.32 0.00 -0.41 0.00 0.00 54.97 52.99 3gqy s GLU 169 Cb -0.04 0.20 -0.14 0.00 -1.78 0.00 0.00 34.13 32.37 3gqy s GLU 169 CO 0.22 -0.35 1.46 0.28 -0.49 0.00 0.00 175.26 176.39 3gqy n VAL 170 N -0.25 0.65 0.00 2.63 0.31 -1.26 -1.56 118.33 118.85 3gqy n VAL 170 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3gqy n VAL 170 Cb 0.65 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3gqy n VAL 170 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqy n GLY 171 N 2.54 3.35 3.66 2.92 0.00 0.03 -5.00 105.19 112.69 3gqy n GLY 171 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3gqy n GLY 171 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gqy n SER 172 N 0.00 1.97 -4.84 1.61 7.64 -0.60 -4.60 113.62 114.80 3gqy n SER 172 Ca 0.00 1.06 -0.36 0.00 1.01 0.00 0.00 58.87 60.58 3gqy n SER 172 Cb 0.00 -1.44 -0.07 0.00 -1.01 0.00 0.00 64.21 61.70 3gqy n SER 172 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3gqy s LYS 173 N -2.17 3.35 -0.08 1.43 1.02 -1.26 -0.76 119.74 121.27 3gqy s LYS 173 Ca 0.63 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.44 3gqy s LYS 173 Cb -0.52 -3.10 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3gqy s LYS 173 CO 0.57 0.75 -0.14 0.42 -0.92 0.00 0.00 175.35 176.03 3gqy s ILE 174 N -1.03 1.33 -0.06 2.17 1.01 -0.43 -4.35 121.20 119.84 3gqy s ILE 174 Ca 0.16 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3gqy s ILE 174 Cb -0.12 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3gqy s ILE 174 CO 0.05 0.40 -0.09 -0.31 0.00 0.00 0.00 174.94 174.99 3gqy s TYR 175 N 0.74 2.85 -0.01 3.97 1.51 -0.22 -0.74 117.35 125.46 3gqy s TYR 175 Ca -0.13 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 3gqy s TYR 175 Cb -0.16 -1.68 -0.00 0.00 -0.11 0.00 0.00 41.96 40.01 3gqy s TYR 175 CO 0.03 0.28 -0.09 0.08 -1.11 0.00 0.00 175.55 174.74 3gqy s VAL 176 N -0.79 0.69 -0.40 0.71 1.01 -0.05 -0.97 120.40 120.61 3gqy s VAL 176 Ca 0.12 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3gqy s VAL 176 Cb -0.11 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.70 3gqy s VAL 176 CO 0.01 0.20 0.51 -0.67 0.00 0.00 0.00 175.10 175.15 3gqy n ASP 177 N 2.95 -6.96 -3.50 3.32 4.64 -0.23 -1.33 116.55 115.44 3gqy n ASP 177 Ca -0.14 0.37 -0.25 0.00 -1.38 0.00 0.00 54.79 53.39 3gqy n ASP 177 Cb 0.57 -4.67 -0.00 0.00 -1.04 0.00 0.00 41.12 35.98 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 -0.53 -3.93 -0.68 1.67 2.03 -1.26 -1.48 116.55 112.36 3gqy n ASP 178 Ca 0.08 -0.49 -0.09 0.00 0.52 0.00 0.00 54.79 54.81 3gqy n ASP 178 Cb 0.40 -3.23 -0.04 0.00 -0.72 0.00 0.00 41.12 37.53 3gqy n ASP 178 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gqy n GLY 179 N -1.27 0.98 0.10 0.27 0.00 -1.24 -4.88 105.19 99.14 3gqy n GLY 179 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -9.23 0.99 3.38 -1.10 -3.44 115.31 105.91 3gqy h LEU 180 Ca -0.18 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.14 3gqy h LEU 180 Cb 0.85 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 3gqy h LEU 180 CO 0.27 0.62 -0.57 -0.63 0.09 0.00 0.00 178.44 178.22 3gqy s ILE 181 N -2.89 4.72 -0.04 1.22 1.01 -0.44 -4.72 121.20 120.05 3gqy s ILE 181 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3gqy s ILE 181 Cb 0.08 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.48 3gqy s ILE 181 CO 0.80 0.53 -0.14 -0.55 0.00 0.00 0.00 174.94 175.58 3gqy s SER 182 N -0.25 1.81 0.17 3.58 0.15 -0.53 -0.87 113.70 117.76 3gqy s SER 182 Ca 0.08 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.51 3gqy s SER 182 Cb -0.12 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.60 3gqy s SER 182 CO 0.02 0.11 -0.16 -0.76 1.20 0.00 0.00 173.24 173.64 3gqy s LEU 183 N 0.18 2.47 -0.11 3.45 1.43 0.08 -0.45 118.68 125.73 3gqy s LEU 183 Ca -0.05 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.16 3gqy s LEU 183 Cb -0.11 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3gqy s LEU 183 CO 0.02 -0.10 -0.14 -1.58 0.23 0.00 0.00 176.35 174.78 3gqy s GLN 184 N -3.02 2.05 -0.02 1.70 0.74 -0.37 -1.31 119.66 119.42 3gqy s GLN 184 Ca 0.16 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 54.78 3gqy s GLN 184 Cb -0.04 -1.80 -0.08 0.00 1.10 0.00 0.00 33.01 32.19 3gqy s GLN 184 CO 0.06 -0.10 2.01 0.08 -0.55 0.00 0.00 175.29 176.78 3gqy s VAL 185 N 1.11 3.04 -0.19 1.34 1.01 0.06 -1.17 120.40 125.60 3gqy s VAL 185 Ca -0.05 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 3gqy s VAL 185 Cb -0.14 -3.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.99 3gqy s VAL 185 CO -0.03 -0.01 0.11 2.29 0.00 0.00 0.00 175.10 177.46 3gqy n LYS 186 N 7.78 0.67 -3.99 2.72 0.00 0.40 -0.79 118.16 124.94 3gqy n LYS 186 Ca 0.22 0.32 -0.14 0.00 -0.00 0.00 0.00 58.31 58.71 3gqy n LYS 186 Cb 0.42 -1.65 -0.14 0.00 -0.00 0.00 0.00 35.03 33.66 3gqy n LYS 186 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3gqy s GLN 187 N -2.49 0.19 0.24 -1.58 -0.21 -0.78 -4.80 119.66 110.22 3gqy s GLN 187 Ca -0.29 -0.09 -0.00 0.00 0.02 0.00 0.00 55.36 54.99 3gqy s GLN 187 Cb 0.08 -0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.88 3gqy s GLN 187 CO 0.65 0.05 0.44 0.15 -2.12 0.00 0.00 175.29 174.46 3gqy s LYS 188 N -0.09 3.52 0.20 2.91 1.02 -1.26 -1.05 119.74 124.98 3gqy s LYS 188 Ca 0.01 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.68 3gqy s LYS 188 Cb -0.01 -2.79 -0.01 0.00 -0.52 0.00 0.00 37.83 34.50 3gqy s LYS 188 CO -0.00 0.33 0.09 0.41 -0.92 0.00 0.00 175.35 175.27 3gqy n GLY 189 N -0.98 3.61 0.15 -3.33 0.00 0.25 -4.91 105.19 99.97 3gqy n GLY 189 Ca -0.05 -1.95 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 3gqy n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqy h ALA 190 N 1.40 -0.13 0.00 4.61 0.00 -2.00 -3.39 119.26 119.76 3gqy h ALA 190 Ca -0.15 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 53.89 3gqy h ALA 190 Cb 0.61 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 3gqy h ALA 190 CO 0.23 0.66 -0.48 -0.40 0.00 0.00 0.00 179.25 179.26 3gqy n ASP 191 N -3.77 1.31 -3.59 0.00 5.75 -1.26 -4.89 116.55 110.10 3gqy n ASP 191 Ca -0.16 -2.78 -0.09 0.00 -0.01 0.00 0.00 54.79 51.75 3gqy n ASP 191 Cb 1.06 -0.37 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 3gqy n ASP 191 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3gqy s PHE 192 N -1.61 -0.36 -0.00 2.11 -0.12 -1.26 -3.29 117.98 113.44 3gqy s PHE 192 Ca 0.26 0.09 0.01 0.00 -0.05 0.00 0.00 56.93 57.24 3gqy s PHE 192 Cb 0.26 0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 43.25 3gqy s PHE 192 CO -0.05 -0.87 -0.02 -0.51 -0.05 0.00 0.00 175.22 173.72 3gqy s LEU 193 N -2.76 2.01 -0.19 -1.99 1.43 -0.06 -0.58 118.68 116.54 3gqy s LEU 193 Ca 0.06 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 3gqy s LEU 193 Cb -0.02 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 3gqy s LEU 193 CO -0.05 0.03 0.08 -0.69 0.23 0.00 0.00 176.35 175.94 3gqy s VAL 194 N -0.07 4.92 0.24 -1.59 1.01 -0.22 -0.29 120.40 124.41 3gqy s VAL 194 Ca 0.01 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.06 3gqy s VAL 194 Cb -0.01 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 3gqy s VAL 194 CO -0.00 0.45 -0.07 0.42 0.00 0.00 0.00 175.10 175.90 3gqy s THR 195 N 0.41 1.53 -0.08 3.92 -4.23 0.03 -0.46 115.64 116.76 3gqy s THR 195 Ca 0.04 -2.13 0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3gqy s THR 195 Cb -0.12 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.40 3gqy s THR 195 CO -0.00 -0.40 -0.18 -1.83 -0.54 0.00 0.00 174.62 171.67 3gqy s GLU 196 N -3.73 2.82 -0.09 3.99 -1.05 -0.32 -1.37 118.70 118.95 3gqy s GLU 196 Ca 0.27 -0.76 -0.30 0.00 -0.15 0.00 0.00 54.97 54.03 3gqy s GLU 196 Cb 0.03 -2.39 -0.04 0.00 -0.44 0.00 0.00 34.13 31.30 3gqy s GLU 196 CO 0.09 0.40 1.38 0.08 0.95 0.00 0.00 175.26 178.17 3gqy s VAL 197 N -0.17 3.98 -0.11 1.83 1.01 -0.48 -1.24 120.40 125.22 3gqy s VAL 197 Ca -0.01 1.25 -0.07 0.00 0.00 0.00 0.00 61.98 63.14 3gqy s VAL 197 Cb -0.14 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3gqy s VAL 197 CO 0.03 -0.07 -0.14 -0.62 0.00 0.00 0.00 175.10 174.30 3gqy n GLU 198 N 6.28 0.34 -3.63 2.72 1.02 0.41 0.10 120.64 127.87 3gqy n GLU 198 Ca 0.14 0.42 -0.39 0.00 -0.02 0.00 0.00 57.16 57.31 3gqy n GLU 198 Cb 0.44 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 3gqy n GLU 198 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3gqy s ASN 199 N -5.17 5.61 0.54 1.62 -0.87 -1.07 -4.60 114.94 111.00 3gqy s ASN 199 Ca -0.12 -0.81 -0.00 0.00 -1.57 0.00 0.00 52.86 50.36 3gqy s ASN 199 Cb 0.02 -2.00 0.00 0.00 -0.02 0.00 0.00 41.25 39.25 3gqy s ASN 199 CO 0.18 -0.30 0.00 0.61 -2.57 0.00 0.00 177.10 175.02 3gqy n GLY 200 N 4.98 0.29 0.00 0.66 0.00 -1.26 -1.45 105.19 108.40 3gqy n GLY 200 Ca -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.68 3.69 -0.02 0.00 -0.70 -4.76 105.19 109.08 3gqy n GLY 201 Ca 0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 3gqy n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 202 N -2.55 7.25 -0.24 1.61 0.01 -1.26 -0.98 113.70 117.54 3gqy s SER 202 Ca 0.00 1.53 -0.07 0.00 1.31 0.00 0.00 55.95 58.72 3gqy s SER 202 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3gqy s SER 202 CO 0.00 -0.37 0.07 -0.22 0.41 0.00 0.00 173.24 173.13 3gqy s LEU 203 N 1.67 3.47 0.00 2.44 2.96 0.11 -4.93 118.68 124.40 3gqy s LEU 203 Ca 0.48 -0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3gqy s LEU 203 Cb -0.19 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.57 3gqy s LEU 203 CO 0.21 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.83 3gqy n GLY 204 N 4.80 3.20 3.87 7.98 0.00 -1.26 -1.07 105.19 122.71 3gqy n GLY 204 Ca -0.16 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.70 6.66 -1.32 1.61 0.01 -1.25 -4.52 113.70 114.18 3gqy s SER 205 Ca 0.00 0.88 -0.05 0.00 1.31 0.00 0.00 55.95 58.09 3gqy s SER 205 Cb 0.00 -2.21 -0.00 0.00 0.21 0.00 0.00 66.02 64.02 3gqy s SER 205 CO 0.00 0.06 0.57 0.29 0.41 0.00 0.00 173.24 174.56 3gqy n LYS 206 N 0.42 -3.09 -3.50 12.44 5.02 -0.11 -4.96 118.16 124.37 3gqy n LYS 206 Ca -0.04 0.46 -0.29 0.00 -2.02 0.00 0.00 58.31 56.42 3gqy n LYS 206 Cb 0.52 -4.55 -0.04 0.00 -0.02 0.00 0.00 35.03 30.95 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 -6.30 3.62 0.32 1.97 -0.14 -1.26 -4.71 119.74 113.24 3gqy s LYS 207 Ca 0.12 -0.07 -0.28 0.00 -1.36 0.00 0.00 55.97 54.38 3gqy s LYS 207 Cb -0.04 -2.73 -0.09 0.00 -1.68 0.00 0.00 37.83 33.28 3gqy s LYS 207 CO 0.87 0.32 1.12 0.20 -0.76 0.00 0.00 175.35 177.09 3gqy s GLY 208 N -2.94 2.97 -0.05 -3.33 0.00 -1.26 -1.60 107.32 101.10 3gqy s GLY 208 Ca 0.42 0.90 0.05 0.00 0.00 0.00 0.00 44.72 46.10 3gqy s GLY 208 CO 0.28 1.46 -0.22 0.14 0.00 0.00 0.00 173.10 174.76 3gqy s VAL 209 N -1.29 1.82 0.02 1.40 1.01 -0.07 -1.06 120.40 122.22 3gqy s VAL 209 Ca 0.49 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3gqy s VAL 209 Cb -0.30 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3gqy s VAL 209 CO 0.39 0.51 -0.23 0.20 0.00 0.00 0.00 175.10 175.97 3gqy s ASN 210 N -0.06 2.71 -0.61 3.32 -0.87 -0.14 -4.38 114.94 114.90 3gqy s ASN 210 Ca -0.04 -0.49 0.06 0.00 -1.57 0.00 0.00 52.86 50.81 3gqy s ASN 210 Cb -0.13 -0.26 0.21 0.00 -0.02 0.00 0.00 41.25 41.05 3gqy s ASN 210 CO 0.03 0.23 0.57 0.18 -2.57 0.00 0.00 177.10 175.55 3gqy n LEU 211 N 2.10 2.52 -0.36 0.60 4.77 -1.26 -1.05 117.00 124.32 3gqy n LEU 211 Ca -0.16 -5.13 0.03 0.00 -0.03 0.00 0.00 56.01 50.71 3gqy n LEU 211 Cb 0.53 -0.39 0.18 0.00 -2.33 0.00 0.00 43.42 41.40 3gqy n LEU 211 CO 0.23 1.92 1.25 -0.65 -1.33 0.00 0.00 177.39 178.81 3gqy h PRO 212 N 4.79 1.08 0.00 3.23 0.11 -1.87 -1.05 132.00 138.29 3gqy h PRO 212 Ca 0.17 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 3gqy h PRO 212 Cb 0.75 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3gqy h PRO 212 CO 0.69 0.72 -0.25 0.78 -0.21 0.00 0.00 178.00 179.73 3gqy h GLY 213 N 1.12 0.00 -3.09 -0.55 0.00 -1.90 -3.46 103.07 95.18 3gqy h GLY 213 Ca 0.43 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.25 3gqy h GLY 213 CO -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.30 3gqy s ALA 214 N -4.33 3.51 -0.99 3.60 0.00 -0.40 -5.02 121.76 118.13 3gqy s ALA 214 Ca -0.03 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 3gqy s ALA 214 Cb 0.14 -2.47 0.19 0.00 0.00 0.00 0.00 23.12 20.98 3gqy s ALA 214 CO 0.68 0.25 1.09 0.00 0.00 0.00 0.00 175.76 177.79 3gqy s ALA 215 N -2.08 3.92 0.22 0.00 0.00 -1.26 -4.96 121.76 117.60 3gqy s ALA 215 Ca 0.47 -3.22 -0.31 0.00 0.00 0.00 0.00 51.96 48.90 3gqy s ALA 215 Cb -0.11 -3.84 -0.10 0.00 0.00 0.00 0.00 23.12 19.06 3gqy s ALA 215 CO 0.27 -2.62 1.55 0.08 0.00 0.00 0.00 175.76 175.04 3gqy s VAL 216 N 1.12 2.47 -0.28 0.00 1.01 -1.26 -4.93 120.40 118.53 3gqy s VAL 216 Ca 0.30 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.75 3gqy s VAL 216 Cb -0.07 -3.23 0.53 0.00 0.00 0.00 0.00 36.38 33.61 3gqy s VAL 216 CO -0.07 0.04 1.49 -0.90 0.00 0.00 0.00 175.10 175.66 3gqy n ASP 217 N 3.19 2.91 -4.81 3.32 5.75 -1.26 -5.01 116.55 120.64 3gqy n ASP 217 Ca 0.11 -3.58 -0.32 0.00 -0.01 0.00 0.00 54.79 50.98 3gqy n ASP 217 Cb 0.38 -0.63 0.02 0.00 -1.03 0.00 0.00 41.12 39.87 3gqy n ASP 217 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3gqy s LEU 218 N -3.15 3.38 0.31 -2.12 1.43 -1.26 -5.00 118.68 112.26 3gqy s LEU 218 Ca 0.45 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 3gqy s LEU 218 Cb 0.40 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.99 3gqy s LEU 218 CO 0.03 -1.28 1.40 -2.84 0.23 0.00 0.00 176.35 173.89 3gqy s PRO 219 N -4.38 4.27 0.21 1.29 0.02 -1.26 -4.92 135.00 130.23 3gqy s PRO 219 Ca 0.62 2.33 -0.10 0.00 0.02 0.00 0.00 61.00 63.87 3gqy s PRO 219 Cb -0.15 -3.06 0.18 0.00 0.02 0.00 0.00 34.50 31.48 3gqy s PRO 219 CO 0.43 -0.36 1.88 0.00 -0.33 0.00 0.00 177.00 178.61 3gqy h ALA 220 N 3.99 0.98 -3.50 -1.55 0.00 -1.96 -3.37 119.26 113.85 3gqy h ALA 220 Ca -0.48 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 53.76 3gqy h ALA 220 Cb 1.22 -0.29 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 3gqy h ALA 220 CO 0.70 0.35 -0.74 0.08 0.00 0.00 0.00 179.25 179.64 3gqy s VAL 221 N -6.13 1.71 0.94 0.00 1.01 -1.26 -4.49 120.40 112.18 3gqy s VAL 221 Ca -0.13 -1.87 -0.14 0.00 0.00 0.00 0.00 61.98 59.84 3gqy s VAL 221 Cb 0.15 -2.22 0.16 0.00 0.00 0.00 0.00 36.38 34.47 3gqy s VAL 221 CO 0.78 -0.55 1.17 -0.94 0.00 0.00 0.00 175.10 175.56 3gqy s SER 222 N 1.21 3.27 0.26 3.32 1.04 -1.26 -4.81 113.70 116.73 3gqy s SER 222 Ca 0.08 0.77 -0.04 0.00 0.48 0.00 0.00 55.95 57.24 3gqy s SER 222 Cb -0.18 -1.20 0.34 0.00 0.10 0.00 0.00 66.02 65.08 3gqy s SER 222 CO -0.14 -2.68 1.90 -0.33 0.98 0.00 0.00 173.24 172.97 3gqy h GLU 223 N -1.59 1.19 -0.43 4.02 3.07 -1.99 -0.36 114.58 118.49 3gqy h GLU 223 Ca -0.48 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.29 3gqy h GLU 223 Cb 1.31 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 3gqy h GLU 223 CO 0.55 0.79 0.20 -0.22 -1.40 0.00 0.00 179.01 178.93 3gqy h LYS 224 N 1.23 0.63 -0.79 2.33 3.64 -1.99 -1.73 116.57 119.88 3gqy h LYS 224 Ca 0.40 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 3gqy h LYS 224 Cb 0.05 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3gqy h LYS 224 CO -0.14 0.56 0.51 -0.44 -2.27 0.00 0.00 179.45 177.67 3gqy h ASP 225 N 0.56 0.87 -0.34 4.20 3.32 -1.70 -0.31 116.42 123.01 3gqy h ASP 225 Ca 0.15 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.19 3gqy h ASP 225 Cb 0.14 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3gqy h ASP 225 CO -0.02 0.61 0.21 0.40 -1.72 0.00 0.00 179.24 178.73 3gqy h ILE 226 N 1.02 1.06 -0.86 0.35 2.04 -0.89 0.92 117.51 121.14 3gqy h ILE 226 Ca 0.30 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 66.03 3gqy h ILE 226 Cb -0.05 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3gqy h ILE 226 CO -0.09 0.08 0.57 1.56 0.00 0.00 0.00 178.15 180.27 3gqy h GLN 227 N 0.43 1.10 -0.33 2.37 4.20 -0.73 -1.93 115.11 120.23 3gqy h GLN 227 Ca 0.13 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 3gqy h GLN 227 Cb -0.02 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 3gqy h GLN 227 CO -0.05 0.73 -0.48 -0.44 -0.67 0.00 0.00 178.83 177.92 3gqy h ASP 228 N 1.14 0.99 -0.55 1.46 3.32 -0.61 -1.92 116.42 120.25 3gqy h ASP 228 Ca 0.33 -0.50 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 3gqy h ASP 228 Cb -0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3gqy h ASP 228 CO -0.09 1.30 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.62 3gqy h LEU 229 N 0.71 0.98 -0.79 1.55 3.38 -0.67 0.12 115.31 120.59 3gqy h LEU 229 Ca 0.03 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3gqy h LEU 229 Cb 1.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3gqy h LEU 229 CO 0.11 1.07 0.12 0.11 0.09 0.00 0.00 178.44 179.94 3gqy h LYS 230 N 0.87 1.03 -0.57 1.13 1.79 -1.32 -1.04 116.57 118.46 3gqy h LYS 230 Ca 0.15 -0.25 0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3gqy h LYS 230 Cb 0.59 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 3gqy h LYS 230 CO 0.04 0.94 0.38 0.35 -1.08 0.00 0.00 179.45 180.07 3gqy h PHE 231 N 0.97 0.71 -0.57 -1.35 3.57 -1.12 -1.54 116.94 117.62 3gqy h PHE 231 Ca 0.20 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.82 3gqy h PHE 231 Cb 0.39 -0.24 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3gqy h PHE 231 CO 0.03 0.45 0.09 0.78 -2.23 0.00 0.00 178.31 177.43 3gqy h GLY 232 N 0.77 0.70 0.89 2.40 0.00 -0.19 0.42 103.07 108.06 3gqy h GLY 232 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 3gqy h GLY 232 CO -0.05 -0.12 -0.15 -2.08 0.00 0.00 0.00 176.54 174.14 3gqy h VAL 233 N 0.22 0.67 -0.89 4.60 2.07 -0.84 -2.43 116.25 119.66 3gqy h VAL 233 Ca 0.30 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.93 3gqy h VAL 233 Cb 0.45 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3gqy h VAL 233 CO -0.41 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.42 3gqy h GLU 234 N -0.38 0.81 -0.04 1.57 5.08 -0.89 -1.43 114.58 119.31 3gqy h GLU 234 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gqy h GLU 234 Cb 0.32 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3gqy h GLU 234 CO 0.01 0.53 0.00 1.04 -1.00 0.00 0.00 179.01 179.59 3gqy n GLN 235 N -4.54 1.32 -3.56 2.33 1.13 0.10 -4.94 117.38 109.22 3gqy n GLN 235 Ca 0.16 -0.47 -0.22 0.00 -1.94 0.00 0.00 57.00 54.52 3gqy n GLN 235 Cb 0.35 -1.42 0.08 0.00 0.11 0.00 0.00 30.24 29.36 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 -0.37 -5.36 -4.74 1.08 2.03 -0.54 -4.98 116.55 103.66 3gqy n ASP 236 Ca 0.19 -0.56 -0.33 0.00 0.52 0.00 0.00 54.79 54.61 3gqy n ASP 236 Cb 0.21 -5.06 0.08 0.00 -0.72 0.00 0.00 41.12 35.63 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 -3.33 2.85 -0.05 5.18 -7.23 -0.98 -4.97 120.40 111.87 3gqy s VAL 237 Ca 0.45 0.36 0.13 0.00 -1.81 0.00 0.00 61.98 61.12 3gqy s VAL 237 Cb -0.20 -2.83 -0.19 0.00 0.56 0.00 0.00 36.38 33.72 3gqy s VAL 237 CO 0.73 -0.28 0.81 0.44 -0.31 0.00 0.00 175.10 176.49 3gqy h ASP 238 N -0.50 0.00 -5.00 4.85 3.32 -1.40 -3.46 116.42 114.23 3gqy h ASP 238 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 3gqy h ASP 238 Cb 1.26 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.68 3gqy h ASP 238 CO 0.51 0.86 0.20 0.00 -1.72 0.00 0.00 179.24 179.09 3gqy s MET 239 N -2.72 1.24 -0.10 3.56 0.23 -1.13 -2.37 119.30 118.02 3gqy s MET 239 Ca -0.03 -0.36 0.04 0.00 -1.03 0.00 0.00 55.69 54.30 3gqy s MET 239 Cb 0.08 0.57 0.00 0.00 -1.53 0.00 0.00 34.83 33.96 3gqy s MET 239 CO 0.82 -0.52 -0.23 0.08 -2.03 0.00 0.00 175.02 173.13 3gqy s VAL 240 N -3.36 2.02 -0.46 5.16 1.01 0.21 -0.93 120.40 124.05 3gqy s VAL 240 Ca -0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 3gqy s VAL 240 Cb -0.01 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3gqy s VAL 240 CO -0.09 0.55 0.45 -0.36 0.00 0.00 0.00 175.10 175.65 3gqy s PHE 241 N 0.42 3.18 -0.35 5.22 0.08 0.95 -0.62 117.98 126.86 3gqy s PHE 241 Ca -0.17 -0.68 -0.21 0.00 0.12 0.00 0.00 56.93 55.99 3gqy s PHE 241 Cb -0.18 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.13 3gqy s PHE 241 CO 0.07 -0.82 0.64 0.00 -0.10 0.00 0.00 175.22 175.02 3gqy s ALA 242 N 2.01 3.46 0.39 5.36 0.00 -0.13 -1.36 121.76 131.48 3gqy s ALA 242 Ca 0.09 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 50.98 3gqy s ALA 242 Cb -0.21 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 3gqy s ALA 242 CO 0.10 -1.32 1.07 -1.12 0.00 0.00 0.00 175.76 174.48 3gqy s SER 243 N 1.78 6.77 -1.57 0.00 0.01 -1.26 -1.14 113.70 118.30 3gqy s SER 243 Ca 0.25 2.11 -0.03 0.00 1.31 0.00 0.00 55.95 59.58 3gqy s SER 243 Cb -0.14 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3gqy s SER 243 CO 0.15 -0.49 0.44 0.49 0.41 0.00 0.00 173.24 174.24 3gqy n PHE 244 N 0.09 -1.66 -1.84 2.43 3.01 -1.24 -4.69 117.46 113.55 3gqy n PHE 244 Ca 0.04 0.38 -0.42 0.00 1.01 0.00 0.00 57.45 58.46 3gqy n PHE 244 Cb 0.49 -4.27 -0.03 0.00 -0.01 0.00 0.00 39.48 35.66 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 -3.12 2.98 -0.04 4.37 -1.09 -0.98 -4.89 121.20 118.43 3gqy s ILE 245 Ca 0.22 0.33 0.14 0.00 -2.23 0.00 0.00 60.65 59.10 3gqy s ILE 245 Cb -0.10 -3.21 -0.21 0.00 -1.58 0.00 0.00 42.46 37.36 3gqy s ILE 245 CO 0.27 -0.01 0.26 0.54 -1.23 0.00 0.00 174.94 174.77 3gqy n ARG 246 N 6.15 0.70 -3.73 2.79 1.74 -1.26 -4.18 116.66 118.86 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 0.40 -1.34 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.85 1.10 0.20 5.56 -2.85 -1.26 -3.87 119.74 115.77 3gqy s LYS 247 Ca -0.05 -0.60 -0.11 0.00 -1.00 0.00 0.00 55.97 54.20 3gqy s LYS 247 Cb 0.08 0.38 0.24 0.00 -2.06 0.00 0.00 37.83 36.47 3gqy s LYS 247 CO 0.58 -0.51 1.72 0.00 0.10 0.00 0.00 175.35 177.25 3gqy h ALA 248 N 2.00 0.67 0.00 0.59 0.00 -1.86 -1.87 119.26 118.79 3gqy h ALA 248 Ca -0.24 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3gqy h ALA 248 Cb 1.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3gqy h ALA 248 CO 0.26 -0.27 -0.06 0.66 0.00 0.00 0.00 179.25 179.85 3gqy h SER 249 N 0.30 0.00 -0.45 0.00 4.64 -1.97 0.22 113.55 116.30 3gqy h SER 249 Ca 0.28 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3gqy h SER 249 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3gqy h SER 249 CO -0.33 0.06 0.29 0.44 -0.87 0.00 0.00 176.83 176.41 3gqy h ASP 250 N 0.00 0.48 -0.59 4.97 5.19 -1.75 -1.95 116.42 122.78 3gqy h ASP 250 Ca -0.00 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 3gqy h ASP 250 Cb 0.10 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 3gqy h ASP 250 CO 0.01 0.35 0.07 0.58 -3.12 0.00 0.00 179.24 177.13 3gqy h VAL 251 N 0.58 1.26 -0.62 -1.35 2.07 -0.97 -2.79 116.25 114.42 3gqy h VAL 251 Ca 0.17 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 3gqy h VAL 251 Cb -0.04 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3gqy h VAL 251 CO -0.05 0.38 0.24 0.45 0.02 0.00 0.00 177.57 178.61 3gqy h HIS 252 N 0.95 0.92 -0.57 1.57 3.86 -0.95 -0.72 115.15 120.21 3gqy h HIS 252 Ca 0.19 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 3gqy h HIS 252 Cb 0.45 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3gqy h HIS 252 CO 0.03 0.72 0.16 0.93 0.86 0.00 0.00 177.93 180.63 3gqy h GLU 253 N 0.90 0.90 -0.35 2.45 5.08 -1.13 0.89 114.58 123.32 3gqy h GLU 253 Ca 0.21 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3gqy h GLU 253 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3gqy h GLU 253 CO -0.02 0.82 0.15 0.28 -1.00 0.00 0.00 179.01 179.24 3gqy h VAL 254 N 0.81 1.18 -0.85 3.13 2.07 -1.22 -2.51 116.25 118.86 3gqy h VAL 254 Ca 0.18 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3gqy h VAL 254 Cb 0.31 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3gqy h VAL 254 CO -0.00 0.19 0.53 -0.09 0.02 0.00 0.00 177.57 178.22 3gqy h ARG 255 N 0.41 1.13 -0.77 1.57 9.65 -0.93 -2.38 114.38 123.06 3gqy h ARG 255 Ca 0.12 -0.08 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 3gqy h ARG 255 Cb 0.16 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3gqy h ARG 255 CO -0.01 0.77 0.32 -0.22 2.80 0.00 0.00 179.97 183.63 3gqy h LYS 256 N 1.16 1.14 -0.23 0.20 1.63 -0.60 -1.71 116.57 118.15 3gqy h LYS 256 Ca 0.31 -0.19 -0.09 0.00 -0.85 0.00 0.00 60.65 59.82 3gqy h LYS 256 Cb -0.09 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.34 3gqy h LYS 256 CO -0.06 0.91 -0.20 0.28 -3.45 0.00 0.00 179.45 176.93 3gqy h VAL 257 N 1.12 1.32 -0.90 2.00 2.07 -1.03 -2.59 116.25 118.23 3gqy h VAL 257 Ca 0.26 -1.35 0.07 0.00 0.82 0.00 0.00 66.70 66.50 3gqy h VAL 257 Cb 0.19 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 3gqy h VAL 257 CO -0.02 0.42 0.58 -0.07 0.02 0.00 0.00 177.57 178.50 3gqy h LEU 258 N 0.25 0.89 0.00 2.57 3.38 -1.39 -3.45 115.31 117.56 3gqy h LEU 258 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gqy h LEU 258 Cb 0.75 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3gqy h LEU 258 CO 0.05 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.76 3gqy n GLY 259 N -1.40 -0.58 0.28 0.83 0.00 -0.65 -1.18 105.19 102.49 3gqy n GLY 259 Ca 0.14 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 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 0.94 -0.82 1.61 4.57 -1.89 -1.57 114.58 117.43 3gqy h GLU 260 Ca 0.00 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.06 3gqy h GLU 260 Cb 0.00 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 3gqy h GLU 260 CO 0.00 0.76 0.54 0.87 -1.18 0.00 0.00 179.01 180.00 3gqy h LYS 261 N 0.90 1.04 -0.60 1.92 6.56 -1.98 -2.25 116.57 122.17 3gqy h LYS 261 Ca 0.22 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 3gqy h LYS 261 Cb 0.13 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 3gqy h LYS 261 CO -0.03 0.69 0.00 0.41 -2.06 0.00 0.00 179.45 178.46 3gqy n GLY 262 N -1.41 2.94 0.28 3.86 0.00 -0.33 -4.67 105.19 105.87 3gqy n GLY 262 Ca 0.10 -0.90 0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 3.91 0.00 -0.02 1.61 2.10 -0.66 -1.84 116.57 121.67 3gqy h LYS 263 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gqy h LYS 263 Cb 1.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.26 3gqy h LYS 263 CO 0.47 0.08 -0.02 0.09 -2.00 0.00 0.00 179.45 178.07 3gqy n ASN 264 N -3.53 1.94 -4.71 7.07 3.02 -1.26 -4.87 115.26 112.93 3gqy n ASN 264 Ca -0.02 -1.63 -0.42 0.00 -0.03 0.00 0.00 54.58 52.48 3gqy n ASN 264 Cb 0.20 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 -2.03 4.30 0.05 2.41 1.01 -0.69 -4.99 121.20 121.25 3gqy s ILE 265 Ca 0.34 1.65 -0.30 0.00 0.00 0.00 0.00 60.65 62.34 3gqy s ILE 265 Cb 0.21 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3gqy s ILE 265 CO 0.34 0.11 1.04 -0.54 0.00 0.00 0.00 174.94 175.89 3gqy s LYS 266 N 1.23 4.55 -0.34 2.79 -0.14 -1.00 -4.90 119.74 121.93 3gqy s LYS 266 Ca 0.56 1.54 -0.12 0.00 -1.36 0.00 0.00 55.97 56.59 3gqy s LYS 266 Cb -0.26 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.47 3gqy s LYS 266 CO 0.28 -0.06 0.22 0.42 -0.76 0.00 0.00 175.35 175.45 3gqy s ILE 267 N 0.77 5.08 -0.32 2.17 1.01 -1.26 -0.62 121.20 128.04 3gqy s ILE 267 Ca 0.53 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.75 3gqy s ILE 267 Cb -0.24 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3gqy s ILE 267 CO 0.29 -0.03 0.16 -0.63 0.00 0.00 0.00 174.94 174.73 3gqy s ILE 268 N 1.68 4.57 -0.06 2.92 -1.09 0.21 -1.17 121.20 128.27 3gqy s ILE 268 Ca 0.05 -0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 57.69 3gqy s ILE 268 Cb -0.18 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3gqy s ILE 268 CO 0.09 0.01 0.88 -0.44 -1.23 0.00 0.00 174.94 174.25 3gqy s SER 269 N 1.60 7.18 -0.20 3.58 0.01 -0.29 -0.95 113.70 124.61 3gqy s SER 269 Ca 0.04 1.43 -0.21 0.00 1.31 0.00 0.00 55.95 58.52 3gqy s SER 269 Cb -0.17 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 3gqy s SER 269 CO 0.06 -0.27 0.65 -0.54 0.41 0.00 0.00 173.24 173.55 3gqy s LYS 270 N 1.28 4.21 -0.41 12.44 1.02 -0.29 -1.22 119.74 136.77 3gqy s LYS 270 Ca 0.45 0.65 -0.15 0.00 0.02 0.00 0.00 55.97 56.95 3gqy s LYS 270 Cb -0.19 -3.59 0.02 0.00 -0.52 0.00 0.00 37.83 33.55 3gqy s LYS 270 CO 0.21 -0.28 0.29 0.42 -0.92 0.00 0.00 175.35 175.08 3gqy s ILE 271 N 2.03 5.19 0.00 2.17 -1.09 -0.47 -2.32 121.20 126.71 3gqy s ILE 271 Ca 0.29 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3gqy s ILE 271 Cb -0.16 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.83 3gqy s ILE 271 CO 0.10 -0.31 0.90 -1.84 -1.23 0.00 0.00 174.94 172.56 3gqy n GLU 272 N 5.14 0.00 -4.09 2.79 0.28 -1.26 -2.39 120.64 121.11 3gqy n GLU 272 Ca -0.11 -0.81 -0.12 0.00 -0.16 0.00 0.00 57.16 55.96 3gqy n GLU 272 Cb 0.47 -0.41 -0.07 0.00 1.43 0.00 0.00 31.44 32.86 3gqy n GLU 272 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3gqy s ASN 273 N -0.80 0.26 0.20 -1.84 2.20 -1.26 -3.21 114.94 110.49 3gqy s ASN 273 Ca 0.00 -1.23 -0.08 0.00 -0.94 0.00 0.00 52.86 50.62 3gqy s ASN 273 Cb 0.00 0.54 0.12 0.00 -2.00 0.00 0.00 41.25 39.91 3gqy s ASN 273 CO 0.00 -1.08 1.69 -0.74 -2.94 0.00 0.00 177.10 174.04 3gqy h HIS 274 N 2.34 1.16 -0.72 1.54 -0.00 -1.93 -2.89 115.15 114.65 3gqy h HIS 274 Ca -0.30 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 59.84 3gqy h HIS 274 Cb 1.25 -0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 28.31 3gqy h HIS 274 CO 0.66 0.98 0.18 1.49 -0.00 0.00 0.00 177.93 181.24 3gqy h GLU 275 N 1.01 1.15 -0.95 5.26 4.81 -1.94 -0.87 114.58 123.05 3gqy h GLU 275 Ca 0.20 -0.27 0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3gqy h GLU 275 Cb 0.45 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3gqy h GLU 275 CO 0.02 1.00 0.61 0.78 -0.73 0.00 0.00 179.01 180.69 3gqy h GLY 276 N 1.09 1.44 0.62 1.92 0.00 -1.62 0.16 103.07 106.68 3gqy h GLY 276 Ca 0.23 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3gqy h GLY 276 CO 0.00 0.21 -0.10 -2.08 0.00 0.00 0.00 176.54 174.58 3gqy h VAL 277 N 0.97 1.39 -0.68 4.60 2.07 -1.22 -2.41 116.25 120.98 3gqy h VAL 277 Ca 0.44 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3gqy h VAL 277 Cb 0.40 2.09 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3gqy h VAL 277 CO -0.20 0.37 0.37 0.03 0.02 0.00 0.00 177.57 178.15 3gqy h ARG 278 N -0.25 0.64 -0.85 1.57 3.08 -0.70 -2.48 114.38 115.39 3gqy h ARG 278 Ca 0.01 -0.04 -0.39 0.00 0.07 0.00 0.00 59.98 59.63 3gqy h ARG 278 Cb 0.64 -0.15 -0.23 0.00 0.08 0.00 0.00 29.97 30.31 3gqy h ARG 278 CO 0.02 0.43 0.46 0.54 -1.07 0.00 0.00 179.97 180.35 3gqy n ARG 279 N -4.81 2.67 -0.21 0.04 1.74 0.50 -4.68 116.66 111.91 3gqy n ARG 279 Ca 0.09 -3.05 -0.05 0.00 -0.77 0.00 0.00 57.85 54.07 3gqy n ARG 279 Cb 0.20 -2.15 0.06 0.00 -1.02 0.00 0.00 32.46 29.54 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 1.52 0.72 -0.52 -1.55 3.57 -0.94 -2.65 116.94 117.09 3gqy h PHE 280 Ca 0.48 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.00 3gqy h PHE 280 Cb 2.57 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 41.05 3gqy h PHE 280 CO 1.43 0.42 0.33 -0.44 -2.23 0.00 0.00 178.31 177.83 3gqy h ASP 281 N 0.76 0.61 0.54 0.41 3.32 -1.85 0.14 116.42 120.35 3gqy h ASP 281 Ca 0.24 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3gqy h ASP 281 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3gqy h ASP 281 CO -0.09 0.46 -0.52 1.05 -1.72 0.00 0.00 179.24 178.42 3gqy h GLU 282 N 0.70 0.00 -0.11 3.56 4.11 -1.92 -1.78 114.58 119.15 3gqy h GLU 282 Ca 0.19 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.59 3gqy h GLU 282 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3gqy h GLU 282 CO -0.04 0.52 -0.06 0.82 0.07 0.00 0.00 179.01 180.31 3gqy h ILE 283 N 0.00 1.33 -0.62 -1.06 2.04 -0.98 -2.68 117.51 115.54 3gqy h ILE 283 Ca -0.01 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.76 3gqy h ILE 283 Cb 0.93 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 3gqy h ILE 283 CO 0.07 0.32 0.40 0.25 0.00 0.00 0.00 178.15 179.18 3gqy h LEU 284 N -0.12 0.67 -0.97 1.44 5.85 -0.65 -1.42 115.31 120.09 3gqy h LEU 284 Ca 0.02 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3gqy h LEU 284 Cb 0.53 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3gqy h LEU 284 CO 0.02 0.47 0.63 -0.08 -0.34 0.00 0.00 178.44 179.14 3gqy h GLU 285 N 0.79 1.12 0.00 1.25 4.57 -1.33 -2.40 114.58 118.58 3gqy h GLU 285 Ca 0.24 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3gqy h GLU 285 Cb -0.04 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.30 3gqy h GLU 285 CO -0.07 0.74 -0.20 0.00 -1.18 0.00 0.00 179.01 178.29 3gqy n ALA 286 N -2.36 2.72 -2.44 2.92 0.00 -0.91 -4.92 120.51 115.52 3gqy n ALA 286 Ca 0.15 -0.17 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 3gqy n ALA 286 Cb 0.17 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 3gqy n ALA 286 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gqy s SER 287 N -3.36 5.42 0.01 0.00 0.01 -0.59 -4.89 113.70 110.32 3gqy s SER 287 Ca 0.12 -0.46 0.24 0.00 1.31 0.00 0.00 55.95 57.16 3gqy s SER 287 Cb 0.17 -0.97 0.32 0.00 0.21 0.00 0.00 66.02 65.75 3gqy s SER 287 CO 0.61 -0.42 1.28 0.47 0.41 0.00 0.00 173.24 175.58 3gqy n ASP 288 N -1.47 0.61 0.00 2.44 8.00 -0.31 -4.93 116.55 120.88 3gqy n ASP 288 Ca -0.00 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.16 3gqy n ASP 288 Cb 0.60 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 3gqy n ASP 288 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqy n GLY 289 N 1.47 -0.15 3.05 0.44 0.00 -1.14 -4.14 105.19 104.73 3gqy n GLY 289 Ca 0.05 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 0.73 -0.13 -0.61 -1.09 -0.47 -1.14 121.20 116.49 3gqy s ILE 290 Ca 0.00 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.75 3gqy s ILE 290 Cb 0.00 -0.67 -0.01 0.00 -1.58 0.00 0.00 42.46 40.20 3gqy s ILE 290 CO 0.00 0.01 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.25 3gqy s MET 291 N -0.74 3.31 -0.82 2.79 -2.45 -0.36 -0.83 119.30 120.21 3gqy s MET 291 Ca -0.00 -0.72 -0.24 0.00 -1.25 0.00 0.00 55.69 53.48 3gqy s MET 291 Cb -0.06 -2.60 0.06 0.00 1.25 0.00 0.00 34.83 33.48 3gqy s MET 291 CO 0.00 0.16 1.24 0.08 1.05 0.00 0.00 175.02 177.55 3gqy s VAL 292 N 0.47 4.03 -1.16 10.11 1.01 0.45 -1.37 120.40 133.95 3gqy s VAL 292 Ca -0.10 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 3gqy s VAL 292 Cb -0.16 -4.89 0.16 0.00 0.00 0.00 0.00 36.38 31.49 3gqy s VAL 292 CO 0.05 -1.75 1.38 0.00 0.00 0.00 0.00 175.10 174.78 3gqy s ALA 293 N 4.79 3.89 -0.04 5.51 0.00 -1.01 -2.49 121.76 132.40 3gqy s ALA 293 Ca 0.35 -3.25 0.31 0.00 0.00 0.00 0.00 51.96 49.37 3gqy s ALA 293 Cb -0.07 -4.12 1.22 0.00 0.00 0.00 0.00 23.12 20.15 3gqy s ALA 293 CO 0.04 -2.81 1.91 0.00 0.00 0.00 0.00 175.76 174.90 3gqy h ARG 294 N 7.45 0.00 0.00 0.00 3.08 -1.82 -2.72 114.38 120.37 3gqy h ARG 294 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gqy h ARG 294 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3gqy h ARG 294 CO 1.22 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 180.53 3gqy n GLY 295 N 0.14 -2.43 0.27 0.04 0.00 -1.26 -1.40 105.19 100.55 3gqy n GLY 295 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 3gqy n GLY 295 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqy h ASP 296 N 0.00 0.57 -0.67 1.61 5.19 -1.85 -3.00 116.42 118.27 3gqy h ASP 296 Ca 0.00 -0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3gqy h ASP 296 Cb 0.00 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.30 3gqy h ASP 296 CO 0.00 0.66 0.37 0.25 -3.12 0.00 0.00 179.24 177.40 3gqy h LEU 297 N 0.57 0.55 0.00 1.55 5.85 -1.45 0.45 115.31 122.84 3gqy h LEU 297 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gqy h LEU 297 Cb 0.39 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3gqy h LEU 297 CO 0.02 0.36 0.00 0.61 -0.34 0.00 0.00 178.44 179.08 3gqy n GLY 298 N -1.29 -0.72 0.10 3.75 0.00 -0.49 -1.10 105.19 105.45 3gqy n GLY 298 Ca 0.08 -0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.99 1.20 0.03 -0.61 5.41 -0.36 -3.75 119.36 120.29 3gqy n ILE 299 Ca 0.17 -0.48 -0.05 0.00 1.00 0.00 0.00 62.75 63.39 3gqy n ILE 299 Cb 0.08 -1.20 0.15 0.00 -0.71 0.00 0.00 39.64 37.96 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 0.00 0.44 -5.94 0.38 4.39 -0.69 -3.44 114.58 109.71 3gqy h GLU 300 Ca -0.47 -0.22 -0.61 0.00 0.34 0.00 0.00 59.36 58.40 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 -0.07 0.78 -0.66 0.96 -1.16 0.00 0.00 179.01 178.86 3gqy s ILE 301 N -4.19 2.31 0.33 3.13 -4.36 -0.26 -4.73 121.20 113.43 3gqy s ILE 301 Ca -0.06 -2.15 -0.29 0.00 -0.26 0.00 0.00 60.65 57.89 3gqy s ILE 301 Cb 0.13 -2.69 -0.12 0.00 1.25 0.00 0.00 42.46 41.03 3gqy s ILE 301 CO 0.80 -0.19 1.49 -2.65 0.24 0.00 0.00 174.94 174.64 3gqy n PRO 302 N -0.83 2.55 -0.10 0.37 -0.02 -1.26 -4.48 135.00 131.22 3gqy n PRO 302 Ca -0.05 0.90 0.10 0.00 -2.02 0.00 0.00 63.50 62.43 3gqy n PRO 302 Cb 0.63 -2.62 0.45 0.00 -0.02 0.00 0.00 33.50 31.94 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 3.72 1.90 0.00 3.55 0.00 -1.91 -0.69 119.26 125.83 3gqy h ALA 303 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3gqy h ALA 303 Cb 1.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gqy h ALA 303 CO 0.71 -0.02 0.00 -0.85 0.00 0.00 0.00 179.25 179.08 3gqy n GLU 304 N -4.48 0.16 0.00 0.00 0.00 -1.26 -2.42 120.64 112.65 3gqy n GLU 304 Ca 0.10 0.49 0.11 0.00 0.00 0.00 0.00 57.16 57.86 3gqy n GLU 304 Cb 0.31 -1.87 0.08 0.00 0.00 0.00 0.00 31.44 29.95 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 -2.19 0.68 -0.31 3.44 5.02 -0.27 -4.48 118.16 120.05 3gqy n LYS 305 Ca 0.01 -0.52 -0.01 0.00 -2.02 0.00 0.00 58.31 55.77 3gqy n LYS 305 Cb 0.15 -1.49 0.16 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.27 1.24 -0.07 -0.18 2.07 -1.55 -1.68 116.25 117.34 3gqy h VAL 306 Ca 0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3gqy h VAL 306 Cb 0.61 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3gqy h VAL 306 CO 0.00 0.23 -0.08 2.19 0.02 0.00 0.00 177.57 179.93 3gqy h PHE 307 N 1.22 0.11 -0.17 1.57 -5.15 -1.80 0.21 116.94 112.92 3gqy h PHE 307 Ca 0.33 -0.01 -0.04 0.00 -0.20 0.00 0.00 57.97 58.05 3gqy h PHE 307 Cb -0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 35.95 36.01 3gqy h PHE 307 CO 0.00 0.19 -0.04 -0.07 -2.00 0.00 0.00 178.31 176.39 3gqy h LEU 308 N 0.10 0.33 -0.76 2.10 3.38 -1.61 -1.72 115.31 117.14 3gqy h LEU 308 Ca 0.02 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3gqy h LEU 308 Cb 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3gqy h LEU 308 CO 0.01 0.62 0.17 0.00 0.09 0.00 0.00 178.44 179.33 3gqy h ALA 309 N 0.72 0.98 0.14 1.53 0.00 -1.12 -0.83 119.26 120.69 3gqy h ALA 309 Ca 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gqy h ALA 309 Cb 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gqy h ALA 309 CO 0.02 0.66 -0.07 0.37 0.00 0.00 0.00 179.25 180.23 3gqy h GLN 310 N 1.05 -0.19 -0.27 0.00 4.15 -0.93 -0.91 115.11 118.01 3gqy h GLN 310 Ca 0.22 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.53 3gqy h GLN 310 Cb 0.37 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3gqy h GLN 310 CO 0.00 -0.10 -0.35 0.87 -1.93 0.00 0.00 178.83 177.32 3gqy h LYS 311 N -0.22 0.60 0.07 1.69 1.57 -1.26 -0.26 116.57 118.77 3gqy h LYS 311 Ca -0.02 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3gqy h LYS 311 Cb 0.17 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3gqy h LYS 311 CO 0.03 0.86 -0.04 1.98 -0.57 0.00 0.00 179.45 181.72 3gqy h MET 312 N 0.51 -0.10 -0.35 3.15 4.05 -1.11 -1.02 114.93 120.07 3gqy h MET 312 Ca 0.05 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3gqy h MET 312 Cb 0.84 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 3gqy h MET 312 CO 0.07 -0.04 -0.10 0.52 0.23 0.00 0.00 176.91 177.59 3gqy h MET 313 N -0.13 0.68 -0.40 0.39 2.86 -0.96 -0.29 114.93 117.08 3gqy h MET 313 Ca -0.01 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3gqy h MET 313 Cb 0.10 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3gqy h MET 313 CO 0.02 0.86 0.27 0.82 1.06 0.00 0.00 176.91 179.93 3gqy h ILE 314 N 0.47 1.11 -0.34 -1.22 2.04 -1.09 -0.90 117.51 117.57 3gqy h ILE 314 Ca 0.09 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3gqy h ILE 314 Cb 0.62 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3gqy h ILE 314 CO 0.04 0.10 0.11 1.23 0.00 0.00 0.00 178.15 179.63 3gqy h GLY 315 N 0.54 0.42 1.60 5.37 0.00 -0.97 -0.18 103.07 109.85 3gqy h GLY 315 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 3gqy h GLY 315 CO -0.03 0.03 -0.25 3.21 0.00 0.00 0.00 176.54 179.50 3gqy h ARG 316 N 0.25 0.46 -0.27 4.80 3.08 -0.89 -1.04 114.38 120.76 3gqy h ARG 316 Ca 0.15 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3gqy h ARG 316 Cb 0.13 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gqy h ARG 316 CO -0.16 0.68 -0.28 0.00 -1.07 0.00 0.00 179.97 179.14 3gqy h ASN 318 N 0.41 0.94 0.03 0.00 -0.26 -0.83 0.15 115.58 116.02 3gqy h ASN 318 Ca 0.04 -0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.68 3gqy h ASN 318 Cb 0.85 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 3gqy h ASN 318 CO 0.07 0.63 -0.30 -0.09 -1.06 0.00 0.00 177.43 176.68 3gqy h ARG 319 N 1.09 0.40 0.00 0.81 2.43 -1.09 -2.90 114.38 115.14 3gqy h ARG 319 Ca 0.37 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3gqy h ARG 319 Cb 0.05 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3gqy h ARG 319 CO -0.13 0.67 -0.44 0.00 -1.51 0.00 0.00 179.97 178.55 3gqy n ALA 320 N -2.48 3.38 -2.42 2.80 0.00 -0.51 -4.95 120.51 116.32 3gqy n ALA 320 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.00 3gqy n ALA 320 Cb 0.43 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 1.49 -0.02 3.42 0.00 0.00 0.35 -5.04 105.19 105.40 3gqy n GLY 321 Ca 0.06 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.82 2.64 0.26 1.61 1.02 -0.17 -4.98 119.74 115.29 3gqy s LYS 322 Ca 0.07 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 3gqy s LYS 322 Cb -0.03 -2.37 -0.14 0.00 -0.52 0.00 0.00 37.83 34.76 3gqy s LYS 322 CO 0.09 0.52 1.21 -2.30 -0.92 0.00 0.00 175.35 173.95 3gqy n PRO 323 N 2.61 1.65 -4.51 -1.68 -0.02 -1.26 -4.36 135.00 127.43 3gqy n PRO 323 Ca -0.17 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 61.68 3gqy n PRO 323 Cb 0.52 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.75 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 -0.59 0.94 -0.14 -1.45 0.11 -1.26 -1.36 120.40 116.64 3gqy s VAL 324 Ca 0.64 -0.48 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 3gqy s VAL 324 Cb -0.69 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.34 3gqy s VAL 324 CO 0.56 0.28 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.86 3gqy s ILE 325 N -0.06 3.12 -0.18 7.04 1.01 -0.01 -0.76 121.20 131.37 3gqy s ILE 325 Ca 0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 3gqy s ILE 325 Cb -0.07 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3gqy s ILE 325 CO 0.00 0.51 0.33 0.00 0.00 0.00 0.00 174.94 175.78 3gqy s ALA 327 N 0.79 0.77 0.00 0.00 0.00 -1.04 -2.25 121.76 120.03 3gqy s ALA 327 Ca 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3gqy s ALA 327 Cb -0.14 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3gqy s ALA 327 CO 0.06 -0.03 0.00 2.41 0.00 0.00 0.00 175.76 178.19 3gqy n THR 328 N 1.10 -0.87 -1.86 0.00 -1.04 -1.26 -3.44 114.28 106.91 3gqy n THR 328 Ca -0.20 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 3gqy n THR 328 Cb 0.56 -0.87 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 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 1.69 -1.42 -0.22 -2.82 6.02 -1.26 -4.81 117.38 114.55 3gqy n GLN 329 Ca 0.00 1.09 -0.05 0.00 -0.01 0.00 0.00 57.00 58.03 3gqy n GLN 329 Cb 0.00 -5.51 0.11 0.00 1.02 0.00 0.00 30.24 25.86 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 1.05 -0.78 -1.09 2.86 -1.88 -3.20 114.93 111.88 3gqy h MET 330 Ca -0.42 -0.21 -0.40 0.00 -2.06 0.00 0.00 59.70 56.60 3gqy h MET 330 Cb 1.29 -0.16 -0.41 0.00 0.06 0.00 0.00 31.60 32.38 3gqy h MET 330 CO 0.57 0.90 -0.99 1.28 1.06 0.00 0.00 176.91 179.72 3gqy n LEU 331 N -4.26 2.99 -0.24 1.22 4.77 -1.26 -4.56 117.00 115.66 3gqy n LEU 331 Ca 0.06 -3.97 0.04 0.00 -0.03 0.00 0.00 56.01 52.10 3gqy n LEU 331 Cb 0.22 0.09 0.16 0.00 -2.33 0.00 0.00 43.42 41.56 3gqy n LEU 331 CO 0.41 1.62 0.99 -0.08 -1.33 0.00 0.00 177.39 179.00 3gqy h GLU 332 N 2.55 0.38 0.00 3.23 4.57 -1.95 -0.48 114.58 122.88 3gqy h GLU 332 Ca 0.08 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3gqy h GLU 332 Cb 1.28 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 3gqy h GLU 332 CO 0.51 0.25 0.00 0.66 -1.18 0.00 0.00 179.01 179.25 3gqy h SER 333 N 0.39 0.00 0.35 1.04 4.64 -1.92 -2.05 113.55 116.00 3gqy h SER 333 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3gqy h SER 333 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3gqy h SER 333 CO -0.40 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.79 3gqy n MET 334 N -2.74 0.49 -0.36 4.77 2.81 -0.19 -0.79 117.12 121.10 3gqy n MET 334 Ca -0.02 0.03 -0.00 0.00 -1.81 0.00 0.00 57.70 55.91 3gqy n MET 334 Cb 0.11 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 31.25 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 1.17 0.00 2.02 2.04 -1.53 -3.33 117.51 117.88 3gqy h ILE 335 Ca 0.00 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3gqy h ILE 335 Cb 0.18 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3gqy h ILE 335 CO 0.00 0.22 -1.54 0.29 0.00 0.00 0.00 178.15 177.12 3gqy n LYS 336 N -4.47 0.61 -4.46 2.37 4.01 -1.00 -0.97 118.16 114.26 3gqy n LYS 336 Ca 0.13 -0.09 -0.29 0.00 -0.51 0.00 0.00 58.31 57.55 3gqy n LYS 336 Cb 0.10 -1.27 -0.13 0.00 -0.51 0.00 0.00 35.03 33.22 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 -2.71 1.52 0.18 1.97 3.01 0.03 -4.94 119.74 118.81 3gqy s LYS 337 Ca -0.04 -1.29 0.23 0.00 -1.01 0.00 0.00 55.97 53.86 3gqy s LYS 337 Cb 0.07 -1.95 0.90 0.00 -1.01 0.00 0.00 37.83 35.84 3gqy s LYS 337 CO 0.46 0.46 1.70 -0.35 0.51 0.00 0.00 175.35 178.13 3gqy n PRO 338 N 1.03 0.16 -4.09 -1.68 -0.04 -1.26 -4.19 135.00 124.93 3gqy n PRO 338 Ca -0.17 0.32 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 3gqy n PRO 338 Cb 0.53 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.12 3gqy n PRO 338 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3gqy s ARG 339 N -3.19 0.74 0.64 0.54 3.03 -1.26 -4.92 118.95 114.53 3gqy s ARG 339 Ca 0.07 -1.27 -0.03 0.00 2.03 0.00 0.00 55.73 56.52 3gqy s ARG 339 Cb 0.11 0.23 0.05 0.00 -1.03 0.00 0.00 34.95 34.31 3gqy s ARG 339 CO 0.42 -0.18 0.91 -1.25 -1.13 0.00 0.00 175.30 174.08 3gqy s PRO 340 N -3.96 2.35 0.79 3.89 0.04 -1.26 -4.56 135.00 132.29 3gqy s PRO 340 Ca 0.13 -0.47 -0.11 0.00 0.04 0.00 0.00 61.00 60.59 3gqy s PRO 340 Cb 0.07 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.40 3gqy s PRO 340 CO -0.06 -1.01 1.15 0.95 0.04 0.00 0.00 177.00 178.06 3gqy s THR 341 N -3.04 2.07 0.28 1.26 -4.23 -1.26 -4.91 115.64 105.81 3gqy s THR 341 Ca 0.59 -0.08 0.07 0.00 -1.18 0.00 0.00 61.69 61.09 3gqy s THR 341 Cb -0.11 -2.99 0.01 0.00 1.34 0.00 0.00 72.50 70.75 3gqy s THR 341 CO 0.42 0.00 1.66 0.03 -0.54 0.00 0.00 174.62 176.19 3gqy h ARG 342 N -0.98 0.17 -0.42 3.99 2.47 -1.99 -1.67 114.38 115.94 3gqy h ARG 342 Ca -0.45 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.08 3gqy h ARG 342 Cb 1.32 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 29.63 3gqy h ARG 342 CO 0.62 0.63 -0.11 0.00 0.56 0.00 0.00 179.97 181.67 3gqy h ALA 343 N 1.36 1.02 -0.23 0.04 0.00 -1.99 -1.18 119.26 118.29 3gqy h ALA 343 Ca 0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3gqy h ALA 343 Cb 0.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3gqy h ALA 343 CO 0.07 0.59 -0.13 0.93 0.00 0.00 0.00 179.25 180.71 3gqy h GLU 344 N 0.69 0.49 -0.45 0.00 5.08 -1.74 0.36 114.58 119.01 3gqy h GLU 344 Ca 0.12 -0.23 0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3gqy h GLU 344 Cb 0.57 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 3gqy h GLU 344 CO 0.04 0.78 0.05 0.78 -1.00 0.00 0.00 179.01 179.66 3gqy h GLY 345 N 0.20 0.51 0.99 -3.84 0.00 -1.21 -2.00 103.07 97.72 3gqy h GLY 345 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3gqy h GLY 345 CO 0.04 -0.08 0.16 0.23 0.00 0.00 0.00 176.54 176.88 3gqy h SER 346 N 0.17 0.29 -0.48 0.19 0.87 -1.07 -2.53 113.55 110.99 3gqy h SER 346 Ca 0.22 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 3gqy h SER 346 Cb 0.31 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3gqy h SER 346 CO -0.33 0.22 0.20 -0.78 -0.53 0.00 0.00 176.83 175.62 3gqy h ASP 347 N 0.33 0.25 -0.24 6.23 3.58 -0.58 0.83 116.42 126.82 3gqy h ASP 347 Ca 0.09 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3gqy h ASP 347 Cb -0.02 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 3gqy h ASP 347 CO -0.02 0.18 0.11 0.58 -2.88 0.00 0.00 179.24 177.21 3gqy h VAL 348 N 0.40 1.15 -0.51 2.25 2.07 -1.27 -1.46 116.25 118.88 3gqy h VAL 348 Ca 0.22 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3gqy h VAL 348 Cb 0.19 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3gqy h VAL 348 CO -0.20 0.14 0.30 0.00 0.02 0.00 0.00 177.57 177.84 3gqy h ALA 349 N 0.97 0.66 0.00 1.67 0.00 -1.05 -2.85 119.26 118.65 3gqy h ALA 349 Ca 0.08 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3gqy h ALA 349 Cb 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gqy h ALA 349 CO -0.01 0.15 -0.49 -0.91 0.00 0.00 0.00 179.25 178.00 3gqy h ASN 350 N 0.69 0.00 -0.80 0.00 2.35 -0.75 -0.73 115.58 116.34 3gqy h ASN 350 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3gqy h ASN 350 Cb 0.01 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3gqy h ASN 350 CO -0.03 0.49 0.47 0.00 -1.65 0.00 0.00 177.43 176.70 3gqy h ALA 351 N 1.51 1.02 -0.17 -0.83 0.00 -1.07 0.22 119.26 119.94 3gqy h ALA 351 Ca -0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3gqy h ALA 351 Cb 0.97 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gqy h ALA 351 CO 0.06 0.50 -0.18 0.28 0.00 0.00 0.00 179.25 179.91 3gqy h VAL 352 N 1.10 1.34 -0.23 0.00 2.07 -1.23 -1.83 116.25 117.46 3gqy h VAL 352 Ca 0.29 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3gqy h VAL 352 Cb -0.02 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3gqy h VAL 352 CO -0.05 0.40 -0.05 -0.07 0.02 0.00 0.00 177.57 177.82 3gqy h LEU 353 N 0.08 0.33 -1.26 2.57 3.38 -0.95 -1.57 115.31 117.88 3gqy h LEU 353 Ca 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gqy h LEU 353 Cb 0.72 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3gqy h LEU 353 CO 0.04 0.43 0.39 0.44 0.09 0.00 0.00 178.44 179.83 3gqy h ASP 354 N 0.34 0.79 0.00 -0.43 3.32 -0.46 -3.47 116.42 116.51 3gqy h ASP 354 Ca 0.07 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gqy h ASP 354 Cb 0.31 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3gqy h ASP 354 CO 0.01 0.61 0.00 0.61 -1.72 0.00 0.00 179.24 178.75 3gqy n GLY 355 N -1.31 1.30 3.74 2.75 0.00 -0.59 -4.69 105.19 106.39 3gqy n GLY 355 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.68 3.83 0.14 4.61 0.00 -0.72 -4.90 121.76 123.04 3gqy s ALA 356 Ca 0.00 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 3gqy s ALA 356 Cb 0.00 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 3gqy s ALA 356 CO 0.00 -0.94 1.45 -0.44 0.00 0.00 0.00 175.76 175.83 3gqy h ASP 357 N 5.79 0.99 -4.46 0.00 3.32 -1.25 -3.45 116.42 117.36 3gqy h ASP 357 Ca -0.45 -0.48 -0.29 0.00 0.02 0.00 0.00 57.03 55.83 3gqy h ASP 357 Cb 1.21 -0.28 -0.17 0.00 0.22 0.00 0.00 39.33 40.31 3gqy h ASP 357 CO 0.87 1.28 -0.72 0.00 -1.72 0.00 0.00 179.24 178.95 3gqy s ILE 359 N -2.69 2.15 0.07 0.00 -4.36 -0.29 -1.61 121.20 114.46 3gqy s ILE 359 Ca 0.06 -2.31 0.03 0.00 -0.26 0.00 0.00 60.65 58.16 3gqy s ILE 359 Cb -0.01 -2.22 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 3gqy s ILE 359 CO -0.01 -0.47 -0.09 -0.32 0.24 0.00 0.00 174.94 174.30 3gqy s MET 360 N -3.57 0.68 -0.03 0.37 1.75 -0.95 -0.52 119.30 117.03 3gqy s MET 360 Ca 0.27 -0.97 0.05 0.00 -1.25 0.00 0.00 55.69 53.79 3gqy s MET 360 Cb -0.03 -0.37 -0.01 0.00 2.84 0.00 0.00 34.83 37.26 3gqy s MET 360 CO 0.12 0.05 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.85 3gqy s LEU 361 N -2.07 1.99 0.00 4.11 1.43 0.36 -4.45 118.68 120.05 3gqy s LEU 361 Ca -0.02 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3gqy s LEU 361 Cb -0.05 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.21 3gqy s LEU 361 CO -0.01 0.20 0.00 -1.20 0.23 0.00 0.00 176.35 175.57 3gqy n SER 362 N 2.84 0.00 -0.05 2.29 7.64 -1.26 -1.02 113.62 124.06 3gqy n SER 362 Ca -0.16 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.89 3gqy n SER 362 Cb 0.53 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.34 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 0.29 0.74 0.23 0.00 -1.97 0.19 103.07 102.56 3gqy h GLY 363 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.38 3gqy h GLY 363 CO 0.00 0.03 0.51 0.83 0.00 0.00 0.00 176.54 177.92 3gqy h GLU 364 N 0.18 0.58 0.00 4.80 3.07 -1.90 -0.99 114.58 120.32 3gqy h GLU 364 Ca 0.28 -0.03 -0.24 0.00 -0.50 0.00 0.00 59.36 58.86 3gqy h GLU 364 Cb 0.85 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.58 3gqy h GLU 364 CO -0.05 0.38 -1.97 0.25 -1.40 0.00 0.00 179.01 176.22 3gqy n THR 365 N -4.51 0.90 -0.03 1.13 -2.24 -0.84 -3.64 114.28 105.05 3gqy n THR 365 Ca 0.14 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.17 3gqy n THR 365 Cb 0.42 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 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 0.79 0.20 0.00 6.98 0.00 -0.67 -3.35 119.26 123.22 3gqy h ALA 366 Ca -0.36 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3gqy h ALA 366 Cb 1.78 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3gqy h ALA 366 CO 0.02 0.33 -0.14 0.36 0.00 0.00 0.00 179.25 179.82 3gqy n LYS 367 N -4.29 3.05 -1.73 0.00 -0.00 -0.81 -1.47 118.16 112.91 3gqy n LYS 367 Ca -0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 57.94 3gqy n LYS 367 Cb 0.56 -0.38 0.16 0.00 -0.00 0.00 0.00 35.03 35.37 3gqy n LYS 367 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3gqy s GLY 368 N -0.49 1.66 0.00 2.58 0.00 -0.44 -4.78 107.32 105.85 3gqy s GLY 368 Ca 0.00 -0.87 0.28 0.00 0.00 0.00 0.00 44.72 44.13 3gqy s GLY 368 CO 0.00 -0.21 1.77 1.22 0.00 0.00 0.00 173.10 175.88 3gqy n ASP 369 N -3.78 0.24 -2.64 1.64 8.00 -0.14 -4.30 116.55 115.58 3gqy n ASP 369 Ca 0.11 0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 3gqy n ASP 369 Cb 0.60 -0.19 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 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 -1.38 1.43 -0.06 1.24 4.01 -1.26 -4.96 117.16 116.19 3gqy n TYR 370 Ca 0.08 -2.82 -0.09 0.00 -0.16 0.00 0.00 57.90 54.92 3gqy n TYR 370 Cb 0.32 -0.34 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 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 2.94 0.20 -0.70 -0.72 0.13 -1.75 -1.15 132.00 130.96 3gqy h PRO 371 Ca -0.05 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 3gqy h PRO 371 Cb 1.15 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3gqy h PRO 371 CO 0.54 0.13 0.27 -0.07 -0.23 0.00 0.00 178.00 178.65 3gqy h LEU 372 N 0.21 0.97 -0.95 1.56 3.38 -1.93 -2.12 115.31 116.43 3gqy h LEU 372 Ca 0.10 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3gqy h LEU 372 Cb 0.06 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3gqy h LEU 372 CO -0.10 0.88 0.41 -0.33 0.09 0.00 0.00 178.44 179.39 3gqy h GLU 373 N 0.99 1.16 -0.47 1.13 3.07 -1.86 -0.13 114.58 118.47 3gqy h GLU 373 Ca 0.23 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 3gqy h GLU 373 Cb 0.22 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3gqy h GLU 373 CO -0.02 0.88 0.15 0.00 -1.40 0.00 0.00 179.01 178.62 3gqy h ALA 374 N 1.29 0.61 -0.08 3.43 0.00 -0.89 -1.21 119.26 122.41 3gqy h ALA 374 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gqy h ALA 374 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gqy h ALA 374 CO -0.04 0.26 0.05 0.28 0.00 0.00 0.00 179.25 179.79 3gqy h VAL 375 N 0.62 1.06 -0.83 0.00 2.07 -0.88 -2.40 116.25 115.89 3gqy h VAL 375 Ca 0.15 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3gqy h VAL 375 Cb 0.26 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 3gqy h VAL 375 CO -0.01 0.06 0.54 0.03 0.02 0.00 0.00 177.57 178.21 3gqy h ARG 376 N 0.05 0.83 -0.21 1.57 3.08 -0.91 -1.71 114.38 117.08 3gqy h ARG 376 Ca 0.03 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3gqy h ARG 376 Cb 0.05 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3gqy h ARG 376 CO -0.00 0.55 -0.37 1.98 -1.07 0.00 0.00 179.97 181.06 3gqy h MET 377 N 0.86 0.63 -0.89 0.04 4.05 -0.99 -0.72 114.93 117.90 3gqy h MET 377 Ca 0.37 -0.39 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3gqy h MET 377 Cb 0.31 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 3gqy h MET 377 CO -0.14 1.00 0.59 1.96 0.23 0.00 0.00 176.91 180.55 3gqy h GLN 378 N 0.32 1.18 0.24 0.39 4.20 -1.19 -0.52 115.11 119.73 3gqy h GLN 378 Ca 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3gqy h GLN 378 Cb 0.96 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3gqy h GLN 378 CO 0.08 0.78 -0.12 1.25 -0.67 0.00 0.00 178.83 180.16 3gqy h HIS 379 N 1.21 -0.30 -0.29 2.96 2.76 -1.05 -0.60 115.15 119.84 3gqy h HIS 379 Ca 0.33 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 3gqy h HIS 379 Cb -0.14 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.91 3gqy h HIS 379 CO 0.00 -0.18 0.19 -0.07 -1.30 0.00 0.00 177.93 176.57 3gqy h LEU 380 N -0.34 0.35 -0.21 0.26 3.38 -0.80 -2.64 115.31 115.30 3gqy h LEU 380 Ca -0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3gqy h LEU 380 Cb 0.26 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3gqy h LEU 380 CO 0.05 0.27 0.04 0.40 0.09 0.00 0.00 178.44 179.30 3gqy h ILE 381 N 0.38 1.22 -0.81 1.22 2.04 -1.07 -2.87 117.51 117.62 3gqy h ILE 381 Ca 0.11 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.31 3gqy h ILE 381 Cb -0.01 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 3gqy h ILE 381 CO -0.02 0.23 0.49 0.00 0.00 0.00 0.00 178.15 178.84 3gqy h ALA 382 N 0.85 1.12 -0.74 1.87 0.00 -1.03 0.07 119.26 121.39 3gqy h ALA 382 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3gqy h ALA 382 Cb 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gqy h ALA 382 CO 0.00 0.20 0.26 -0.09 0.00 0.00 0.00 179.25 179.62 3gqy h ARG 383 N 0.88 1.14 -0.30 0.00 2.43 -1.42 -0.42 114.38 116.69 3gqy h ARG 383 Ca 0.36 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 3gqy h ARG 383 Cb 0.20 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3gqy h ARG 383 CO -0.18 0.96 0.02 0.93 -1.51 0.00 0.00 179.97 180.18 3gqy h GLU 384 N 1.09 0.52 -0.63 0.20 4.39 -1.12 -3.02 114.58 116.01 3gqy h GLU 384 Ca 0.24 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3gqy h GLU 384 Cb 0.27 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3gqy h GLU 384 CO -0.01 0.65 0.32 0.00 -1.16 0.00 0.00 179.01 178.80 3gqy h ALA 385 N 0.85 0.81 -0.83 3.43 0.00 -0.80 -2.77 119.26 119.95 3gqy h ALA 385 Ca 0.09 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3gqy h ALA 385 Cb 0.40 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3gqy h ALA 385 CO 0.01 0.36 0.53 0.93 0.00 0.00 0.00 179.25 181.08 3gqy h GLU 386 N 0.86 1.01 -0.41 0.00 5.08 -1.06 -0.98 114.58 119.09 3gqy h GLU 386 Ca 0.22 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3gqy h GLU 386 Cb 0.09 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3gqy h GLU 386 CO -0.03 0.67 0.15 0.00 -1.00 0.00 0.00 179.01 178.80 3gqy h ALA 387 N 1.34 1.49 -0.00 3.43 0.00 -1.39 -2.90 119.26 121.24 3gqy h ALA 387 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gqy h ALA 387 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gqy h ALA 387 CO -0.11 0.39 -0.00 0.00 0.00 0.00 0.00 179.25 179.52 3gqy n ALA 388 N -2.47 2.66 -1.77 0.00 0.00 -0.40 -4.55 120.51 113.98 3gqy n ALA 388 Ca 0.03 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3gqy n ALA 388 Cb 0.16 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.09 2.53 -1.23 0.00 1.01 -1.00 -4.93 121.20 115.48 3gqy s ILE 389 Ca 0.44 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 61.48 3gqy s ILE 389 Cb 0.22 -3.31 0.18 0.00 0.01 0.00 0.00 42.46 39.56 3gqy s ILE 389 CO 0.38 0.10 1.59 0.00 0.00 0.00 0.00 174.94 177.02 3gqy n TYR 390 N 0.42 4.07 -0.06 3.97 9.36 -1.26 -4.85 117.16 128.81 3gqy n TYR 390 Ca 0.02 -3.13 0.05 0.00 3.32 0.00 0.00 57.90 58.16 3gqy n TYR 390 Cb 0.42 -2.02 0.41 0.00 -0.63 0.00 0.00 39.34 37.52 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 6.47 0.58 -0.37 2.98 3.86 -1.92 -2.17 115.15 124.58 3gqy h HIS 391 Ca 0.33 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.64 3gqy h HIS 391 Cb 0.76 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.96 3gqy h HIS 391 CO 1.13 0.34 -0.17 1.25 0.86 0.00 0.00 177.93 181.35 3gqy h LEU 392 N 0.61 -0.58 -0.01 2.43 5.85 -1.89 0.26 115.31 121.98 3gqy h LEU 392 Ca 0.20 0.14 -0.25 0.00 0.84 0.00 0.00 57.88 58.82 3gqy h LEU 392 Cb 0.07 0.32 0.02 0.00 0.37 0.00 0.00 40.66 41.44 3gqy h LEU 392 CO -0.05 -0.20 -0.96 -0.61 -0.34 0.00 0.00 178.44 176.27 3gqy h GLN 393 N -0.10 0.66 0.14 1.25 4.15 -1.86 -2.92 115.11 116.43 3gqy h GLN 393 Ca 0.19 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3gqy h GLN 393 Cb 0.39 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 3gqy h GLN 393 CO -0.44 1.29 -0.13 1.25 -1.93 0.00 0.00 178.83 178.87 3gqy h LEU 394 N 0.32 -0.34 -0.58 -2.39 5.85 -0.95 -0.51 115.31 116.71 3gqy h LEU 394 Ca -0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3gqy h LEU 394 Cb 1.62 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.74 3gqy h LEU 394 CO 0.19 -0.20 0.36 0.15 -0.34 0.00 0.00 178.44 178.60 3gqy h PHE 395 N -0.29 0.75 -0.51 1.25 -0.00 -0.63 -0.63 116.94 116.89 3gqy h PHE 395 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.04 3gqy h PHE 395 Cb 0.27 -0.25 -0.05 0.00 -0.00 0.00 0.00 35.95 35.92 3gqy h PHE 395 CO -0.12 0.50 0.22 0.93 -0.00 0.00 0.00 178.31 179.84 3gqy h GLU 396 N 0.79 0.42 -0.27 1.11 5.08 -1.28 -0.93 114.58 119.50 3gqy h GLU 396 Ca 0.21 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 3gqy h GLU 396 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3gqy h GLU 396 CO -0.04 0.28 -0.49 0.93 -1.00 0.00 0.00 179.01 178.69 3gqy h GLU 397 N 0.43 0.73 -0.31 2.33 5.08 -0.65 -0.84 114.58 121.35 3gqy h GLU 397 Ca 0.24 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 3gqy h GLU 397 Cb 0.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3gqy h GLU 397 CO -0.20 1.05 0.03 -0.07 -1.00 0.00 0.00 179.01 178.82 3gqy h LEU 398 N 0.57 0.50 -0.84 1.33 3.38 -0.92 0.15 115.31 119.48 3gqy h LEU 398 Ca 0.03 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gqy h LEU 398 Cb 1.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 3gqy h LEU 398 CO 0.10 0.65 0.56 0.03 0.09 0.00 0.00 178.44 179.87 3gqy h ARG 399 N 0.34 1.11 -0.25 1.13 3.08 -1.15 -0.52 114.38 118.12 3gqy h ARG 399 Ca 0.09 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3gqy h ARG 399 Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3gqy h ARG 399 CO 0.01 0.74 -0.08 0.00 -1.07 0.00 0.00 179.97 179.57 3gqy h ARG 400 N 1.14 0.49 0.00 0.04 -0.00 -0.90 -3.05 114.38 112.11 3gqy h ARG 400 Ca 0.31 -0.20 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 3gqy h ARG 400 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 29.82 3gqy h ARG 400 CO -0.07 0.73 0.00 1.28 0.00 0.00 0.00 179.97 181.91 3gqy n LEU 401 N -4.53 0.00 -4.70 3.04 4.32 0.49 -4.77 117.00 110.85 3gqy n LEU 401 Ca -0.04 0.39 -0.40 0.00 -0.02 0.00 0.00 56.01 55.94 3gqy n LEU 401 Cb 0.31 -0.39 -0.04 0.00 -1.62 0.00 0.00 43.42 41.67 3gqy n LEU 401 CO 0.40 -0.02 0.47 0.00 -1.22 0.00 0.00 177.39 177.01 3gqy s ALA 402 N -2.79 3.38 0.31 -1.18 0.00 -0.21 -5.04 121.76 116.23 3gqy s ALA 402 Ca 0.20 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 3gqy s ALA 402 Cb 0.19 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 20.15 3gqy s ALA 402 CO 0.47 -0.27 1.56 -2.14 0.00 0.00 0.00 175.76 175.38 3gqy s PRO 403 N 1.20 4.12 -0.26 0.00 0.02 -1.26 -4.94 135.00 133.88 3gqy s PRO 403 Ca 0.38 2.57 -0.29 0.00 0.02 0.00 0.00 61.00 63.69 3gqy s PRO 403 Cb -0.18 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.35 3gqy s PRO 403 CO 0.17 -0.60 1.03 0.96 -0.33 0.00 0.00 177.00 178.23 3gqy s ILE 404 N -0.29 4.64 0.29 2.83 -0.00 -1.26 -5.02 121.20 122.39 3gqy s ILE 404 Ca 0.60 1.88 0.03 0.00 -0.00 0.00 0.00 60.65 63.17 3gqy s ILE 404 Cb -0.47 -4.33 -0.06 0.00 -0.00 0.00 0.00 42.46 37.60 3gqy s ILE 404 CO 0.52 -0.27 0.06 0.42 -0.00 0.00 0.00 174.94 175.66 3gqy s THR 405 N 3.31 1.02 -1.52 8.37 -4.23 -1.26 -5.04 115.64 116.29 3gqy s THR 405 Ca 0.43 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.02 3gqy s THR 405 Cb -0.14 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.34 3gqy s THR 405 CO 0.09 -0.06 1.18 -1.20 -0.54 0.00 0.00 174.62 174.09 3gqy n SER 406 N -0.59 2.25 -4.60 3.99 7.64 -1.26 -4.87 113.62 116.18 3gqy n SER 406 Ca -0.02 -2.15 -0.43 0.00 1.01 0.00 0.00 58.87 57.28 3gqy n SER 406 Cb 0.66 -0.35 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 3gqy n SER 406 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gqy s ASP 407 N -0.77 6.68 0.46 6.43 -1.08 -1.26 -4.93 116.67 122.20 3gqy s ASP 407 Ca 0.23 0.55 0.12 0.00 -0.52 0.00 0.00 52.55 52.93 3gqy s ASP 407 Cb 0.14 -2.50 1.05 0.00 -1.46 0.00 0.00 42.92 40.15 3gqy s ASP 407 CO 0.12 -1.02 2.07 -0.65 0.52 0.00 0.00 175.17 176.21 3gqy h PRO 408 N 8.75 0.31 -0.10 4.34 0.11 -1.94 -2.76 132.00 140.71 3gqy h PRO 408 Ca -0.23 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.65 3gqy h PRO 408 Cb 1.07 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.11 3gqy h PRO 408 CO 1.05 0.21 -0.80 1.79 -0.21 0.00 0.00 178.00 180.03 3gqy h THR 409 N 0.32 1.32 -0.29 -1.15 1.35 -1.92 -1.47 112.91 111.06 3gqy h THR 409 Ca 0.13 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3gqy h THR 409 Cb 0.12 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3gqy h THR 409 CO -0.03 0.65 0.18 -0.33 -0.25 0.00 0.00 175.52 175.74 3gqy h GLU 410 N 0.41 0.40 -0.66 4.72 4.39 -1.83 -0.59 114.58 121.41 3gqy h GLU 410 Ca -0.05 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 3gqy h GLU 410 Cb 1.41 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.95 3gqy h GLU 410 CO 0.15 0.29 0.27 0.00 -1.16 0.00 0.00 179.01 178.56 3gqy h ALA 411 N 1.08 0.86 -0.76 3.43 0.00 -1.45 -0.88 119.26 121.54 3gqy h ALA 411 Ca 0.11 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3gqy h ALA 411 Cb -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3gqy h ALA 411 CO -0.02 0.47 0.33 1.15 0.00 0.00 0.00 179.25 181.18 3gqy h THR 412 N 0.93 1.25 0.14 0.00 2.02 -1.16 -1.09 112.91 115.00 3gqy h THR 412 Ca 0.22 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3gqy h THR 412 Cb 0.20 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3gqy h THR 412 CO -0.02 0.31 -0.07 0.00 0.37 0.00 0.00 175.52 176.11 3gqy h ALA 413 N 1.17 -0.19 -0.75 6.16 0.00 -0.67 0.43 119.26 125.41 3gqy h ALA 413 Ca 0.26 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3gqy h ALA 413 Cb 0.17 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3gqy h ALA 413 CO -0.03 -0.52 0.32 -0.24 0.00 0.00 0.00 179.25 178.78 3gqy h VAL 414 N -0.37 1.25 -0.61 0.00 3.04 -1.15 -1.29 116.25 117.12 3gqy h VAL 414 Ca -0.02 -0.76 0.02 0.00 -1.01 0.00 0.00 66.70 64.94 3gqy h VAL 414 Cb 0.29 0.33 -0.04 0.00 -2.01 0.00 0.00 31.29 29.87 3gqy h VAL 414 CO 0.03 0.31 0.38 1.23 -1.01 0.00 0.00 177.57 178.51 3gqy h GLY 415 N 1.12 0.86 0.96 3.17 0.00 -1.04 -0.52 103.07 107.63 3gqy h GLY 415 Ca 0.25 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3gqy h GLY 415 CO -0.02 0.26 0.14 0.00 0.00 0.00 0.00 176.54 176.92 3gqy h ALA 416 N 1.25 0.62 -0.32 3.60 0.00 -0.36 0.12 119.26 124.17 3gqy h ALA 416 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gqy h ALA 416 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gqy h ALA 416 CO -0.09 0.28 0.18 0.28 0.00 0.00 0.00 179.25 179.90 3gqy h VAL 417 N 0.63 1.13 -0.19 0.00 2.07 -1.09 0.01 116.25 118.81 3gqy h VAL 417 Ca 0.15 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3gqy h VAL 417 Cb 0.28 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3gqy h VAL 417 CO -0.00 0.13 0.08 -0.08 0.02 0.00 0.00 177.57 177.71 3gqy h GLU 418 N 0.39 0.17 -0.99 1.57 4.57 -0.86 -1.98 114.58 117.45 3gqy h GLU 418 Ca 0.11 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 3gqy h GLU 418 Cb 0.05 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.53 3gqy h GLU 418 CO -0.02 0.11 0.63 0.00 -1.18 0.00 0.00 179.01 178.56 3gqy h ALA 419 N 1.11 1.50 -0.44 2.92 0.00 -0.61 -1.92 119.26 121.82 3gqy h ALA 419 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3gqy h ALA 419 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gqy h ALA 419 CO -0.08 0.30 0.01 0.66 0.00 0.00 0.00 179.25 180.14 3gqy h SER 420 N 1.05 0.67 -0.41 0.00 4.64 -0.28 -2.48 113.55 116.74 3gqy h SER 420 Ca 0.47 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.53 3gqy h SER 420 Cb 0.37 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3gqy h SER 420 CO -0.22 0.74 -0.15 -0.26 -0.87 0.00 0.00 176.83 176.06 3gqy h PHE 421 N 0.67 0.94 -0.82 4.77 0.04 -0.86 0.14 116.94 121.82 3gqy h PHE 421 Ca 0.14 -0.22 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 3gqy h PHE 421 Cb 0.40 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 3gqy h PHE 421 CO 0.02 0.97 0.41 -0.22 -0.60 0.00 0.00 178.31 178.89 3gqy h LYS 422 N 0.64 1.16 -0.44 1.51 1.63 -0.97 -2.82 116.57 117.28 3gqy h LYS 422 Ca 0.10 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3gqy h LYS 422 Cb 0.70 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3gqy h LYS 422 CO 0.05 0.88 0.00 0.00 -3.45 0.00 0.00 179.45 176.93 3gqy s SER 425 N -3.76 4.67 0.53 0.00 1.04 -0.67 -4.93 113.70 110.58 3gqy s SER 425 Ca 0.34 2.18 0.31 0.00 0.48 0.00 0.00 55.95 59.26 3gqy s SER 425 Cb -0.15 -2.57 1.19 0.00 0.10 0.00 0.00 66.02 64.59 3gqy s SER 425 CO 0.92 -1.93 1.92 1.23 0.98 0.00 0.00 173.24 176.36 3gqy h GLY 426 N -0.11 0.00 -3.63 7.32 0.00 -1.60 -3.42 103.07 101.63 3gqy h GLY 426 Ca -0.47 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.06 3gqy h GLY 426 CO 0.52 0.00 0.70 0.00 0.00 0.00 0.00 176.54 177.76 3gqy s ALA 427 N -3.61 -1.99 -0.36 3.60 0.00 -1.26 -4.31 121.76 113.83 3gqy s ALA 427 Ca 0.02 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 3gqy s ALA 427 Cb 0.09 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.33 3gqy s ALA 427 CO 0.57 -0.63 0.14 0.42 0.00 0.00 0.00 175.76 176.27 3gqy s ILE 428 N -2.66 3.80 -0.18 0.00 1.01 -0.03 -1.56 121.20 121.59 3gqy s ILE 428 Ca 0.08 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.24 3gqy s ILE 428 Cb -0.01 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3gqy s ILE 428 CO -0.06 -0.29 0.63 -0.63 0.00 0.00 0.00 174.94 174.58 3gqy s ILE 429 N 1.38 5.03 -0.13 2.92 1.01 0.14 -1.25 121.20 130.30 3gqy s ILE 429 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 60.65 61.86 3gqy s ILE 429 Cb -0.21 -3.95 0.02 0.00 0.01 0.00 0.00 42.46 38.34 3gqy s ILE 429 CO 0.02 0.14 -0.14 -0.69 0.00 0.00 0.00 174.94 174.27 3gqy s VAL 430 N 1.69 1.52 -0.20 2.92 1.01 -0.20 0.23 120.40 127.38 3gqy s VAL 430 Ca 0.30 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 3gqy s VAL 430 Cb -0.16 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3gqy s VAL 430 CO 0.11 0.45 0.63 -0.76 0.00 0.00 0.00 175.10 175.53 3gqy s LEU 431 N 1.32 4.14 -0.13 3.92 1.43 -0.56 -0.73 118.68 128.07 3gqy s LEU 431 Ca 0.01 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.85 3gqy s LEU 431 Cb -0.14 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.24 3gqy s LEU 431 CO -0.07 -0.28 0.31 0.28 0.23 0.00 0.00 176.35 176.82 3gqy s THR 432 N 1.97 -0.02 -0.16 5.49 -1.32 -0.49 -4.81 115.64 116.30 3gqy s THR 432 Ca 0.28 0.08 -0.17 0.00 -1.21 0.00 0.00 61.69 60.67 3gqy s THR 432 Cb -0.16 -0.46 -0.14 0.00 -1.51 0.00 0.00 72.50 70.24 3gqy s THR 432 CO 0.10 0.03 0.20 0.11 -2.21 0.00 0.00 174.62 172.85 3gqy h LYS 433 N 6.58 0.00 0.00 7.08 6.56 -1.96 -3.36 116.57 131.47 3gqy h LYS 433 Ca -0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 3gqy h LYS 433 Cb 1.18 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 3gqy h LYS 433 CO 0.33 0.61 -0.60 -1.13 -2.06 0.00 0.00 179.45 176.60 3gqy n SER 434 N -4.57 0.57 0.00 0.86 3.41 -1.26 -4.60 113.62 108.03 3gqy n SER 434 Ca -0.17 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 3gqy n SER 434 Cb 0.44 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 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 3.00 0.21 5.00 0.00 -1.26 -4.88 105.19 108.71 3gqy n GLY 435 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 2.41 0.13 -0.51 1.61 2.43 -1.95 -1.06 114.38 117.44 3gqy h ARG 436 Ca 0.00 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 3gqy h ARG 436 Cb 0.00 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 3gqy h ARG 436 CO 0.00 0.08 0.17 0.77 -1.51 0.00 0.00 179.97 179.48 3gqy h SER 437 N 0.13 0.15 -0.36 -3.80 0.02 -1.93 0.46 113.55 108.22 3gqy h SER 437 Ca 0.28 0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.19 3gqy h SER 437 Cb 0.43 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3gqy h SER 437 CO -0.45 0.11 -0.16 0.00 -1.14 0.00 0.00 176.83 175.19 3gqy h ALA 438 N 1.36 0.90 -0.89 3.77 0.00 -1.65 -2.39 119.26 120.36 3gqy h ALA 438 Ca 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gqy h ALA 438 Cb 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3gqy h ALA 438 CO -0.27 0.63 0.49 0.45 0.00 0.00 0.00 179.25 180.55 3gqy h HIS 439 N 0.73 1.22 -0.45 0.00 -0.00 -0.44 -0.78 115.15 115.43 3gqy h HIS 439 Ca 0.11 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 3gqy h HIS 439 Cb 0.67 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 3gqy h HIS 439 CO 0.04 0.84 0.04 1.96 -0.00 0.00 0.00 177.93 180.81 3gqy h GLN 440 N 1.24 0.72 -0.32 2.45 4.20 -0.70 -1.73 115.11 120.96 3gqy h GLN 440 Ca 0.31 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 3gqy h GLN 440 Cb 0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3gqy h GLN 440 CO -0.05 0.70 -0.31 0.28 -0.67 0.00 0.00 178.83 178.78 3gqy h VAL 441 N 0.68 1.29 -0.52 -0.54 2.07 -1.15 -3.29 116.25 114.80 3gqy h VAL 441 Ca 0.14 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3gqy h VAL 441 Cb 0.36 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3gqy h VAL 441 CO 0.01 0.48 0.23 0.00 0.02 0.00 0.00 177.57 178.31 3gqy h ALA 442 N 0.73 1.44 0.00 1.67 0.00 -0.59 -2.37 119.26 120.13 3gqy h ALA 442 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gqy h ALA 442 Cb 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gqy h ALA 442 CO 0.08 0.44 0.00 0.07 0.00 0.00 0.00 179.25 179.84 3gqy h ARG 443 N 0.73 0.00 -0.13 0.00 0.11 -1.40 -0.89 114.38 112.79 3gqy h ARG 443 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 3gqy h ARG 443 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3gqy h ARG 443 CO -0.02 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.71 3gqy n TYR 444 N -2.48 0.15 -3.53 4.08 4.01 -0.89 -4.98 117.16 113.51 3gqy n TYR 444 Ca 0.00 -0.08 -0.22 0.00 -0.16 0.00 0.00 57.90 57.45 3gqy n TYR 444 Cb 0.17 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.71 -3.14 -1.56 -0.72 5.12 -0.34 -4.71 116.66 112.02 3gqy n ARG 445 Ca 0.17 0.67 -0.35 0.00 -1.93 0.00 0.00 57.85 56.41 3gqy n ARG 445 Cb 0.44 -5.13 0.08 0.00 -1.16 0.00 0.00 32.46 26.70 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 -5.43 2.32 0.09 5.56 0.04 -1.26 -4.90 135.00 131.41 3gqy s PRO 446 Ca 0.28 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 3gqy s PRO 446 Cb -0.07 -1.84 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 3gqy s PRO 446 CO 0.80 -1.72 1.38 -0.09 0.04 0.00 0.00 177.00 177.41 3gqy h ARG 447 N 0.03 0.66 -6.87 4.56 2.43 -1.94 -3.45 114.38 109.80 3gqy h ARG 447 Ca -0.49 -0.38 -0.53 0.00 -0.81 0.00 0.00 59.98 57.77 3gqy h ARG 447 Cb 1.31 0.03 0.08 0.00 -0.42 0.00 0.00 29.97 30.97 3gqy h ARG 447 CO 0.51 0.99 0.75 0.00 -1.51 0.00 0.00 179.97 180.71 3gqy s ALA 448 N -4.23 3.58 0.46 2.80 0.00 -1.26 -4.97 121.76 118.14 3gqy s ALA 448 Ca -0.12 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 3gqy s ALA 448 Cb 0.08 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 3gqy s ALA 448 CO 0.83 -0.85 1.34 -1.25 0.00 0.00 0.00 175.76 175.82 3gqy s PRO 449 N -1.44 3.67 -0.50 0.00 0.05 -1.26 -4.62 135.00 130.90 3gqy s PRO 449 Ca 0.54 2.22 -0.14 0.00 0.05 0.00 0.00 61.00 63.67 3gqy s PRO 449 Cb -0.44 -2.58 0.11 0.00 0.05 0.00 0.00 34.50 31.65 3gqy s PRO 449 CO 0.54 -0.76 0.43 0.42 0.05 0.00 0.00 177.00 177.68 3gqy s ILE 450 N -1.28 4.93 -0.57 0.56 1.01 0.53 -0.85 121.20 125.52 3gqy s ILE 450 Ca 0.62 -1.46 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3gqy s ILE 450 Cb -0.39 -4.11 0.04 0.00 0.01 0.00 0.00 42.46 38.00 3gqy s ILE 450 CO 0.49 -0.76 1.04 -0.63 0.00 0.00 0.00 174.94 175.08 3gqy s ILE 451 N 1.54 4.24 -0.40 2.92 1.01 -0.38 0.36 121.20 130.50 3gqy s ILE 451 Ca 0.04 0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.96 3gqy s ILE 451 Cb -0.27 -4.62 0.01 0.00 0.01 0.00 0.00 42.46 37.59 3gqy s ILE 451 CO 0.03 -1.23 0.50 0.00 0.00 0.00 0.00 174.94 174.24 3gqy s ALA 452 N 4.35 3.42 -0.31 9.38 0.00 -0.64 -1.03 121.76 136.93 3gqy s ALA 452 Ca 0.34 -1.29 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 3gqy s ALA 452 Cb -0.11 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3gqy s ALA 452 CO 0.21 -1.50 0.39 0.08 0.00 0.00 0.00 175.76 174.93 3gqy s VAL 453 N 2.36 5.15 0.07 0.00 1.01 0.09 -0.91 120.40 128.16 3gqy s VAL 453 Ca 0.16 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3gqy s VAL 453 Cb -0.16 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3gqy s VAL 453 CO 0.15 -0.00 -0.08 0.28 0.00 0.00 0.00 175.10 175.44 3gqy s THR 454 N 2.09 0.65 -1.48 3.92 -1.32 -0.93 -1.39 115.64 117.18 3gqy s THR 454 Ca 0.14 -1.44 0.23 0.00 -1.21 0.00 0.00 61.69 59.42 3gqy s THR 454 Cb -0.16 -1.07 -0.01 0.00 -1.51 0.00 0.00 72.50 69.75 3gqy s THR 454 CO 0.11 -0.56 1.20 0.54 -2.21 0.00 0.00 174.62 173.70 3gqy n ARG 455 N 0.85 0.55 -3.10 7.08 1.74 -1.26 -0.62 116.66 121.89 3gqy n ARG 455 Ca -0.18 -0.41 -0.43 0.00 -0.77 0.00 0.00 57.85 56.06 3gqy n ARG 455 Cb 0.57 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.73 6.36 0.24 0.55 3.84 -1.26 -4.84 114.94 117.09 3gqy s ASN 456 Ca 0.15 -0.18 -0.06 0.00 0.21 0.00 0.00 52.86 52.98 3gqy s ASN 456 Cb 0.18 -2.33 0.30 0.00 -0.55 0.00 0.00 41.25 38.85 3gqy s ASN 456 CO 0.67 -0.73 1.88 -0.65 -2.79 0.00 0.00 177.10 175.48 3gqy h PRO 457 N 8.76 1.08 -0.49 0.43 0.11 -1.95 -1.61 132.00 138.33 3gqy h PRO 457 Ca -0.26 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 3gqy h PRO 457 Cb 1.10 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 3gqy h PRO 457 CO 0.88 0.72 -0.17 0.37 -0.21 0.00 0.00 178.00 179.59 3gqy h GLN 458 N 1.12 0.98 -0.27 1.05 4.15 -1.97 -1.65 115.11 118.51 3gqy h GLN 458 Ca 0.37 -0.39 0.04 0.00 0.77 0.00 0.00 58.65 59.44 3gqy h GLN 458 Cb 0.04 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 3gqy h GLN 458 CO -0.13 1.06 0.05 1.15 -1.93 0.00 0.00 178.83 179.03 3gqy h THR 459 N 0.85 0.87 -0.99 2.39 2.02 -1.73 0.20 112.91 116.53 3gqy h THR 459 Ca 0.12 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3gqy h THR 459 Cb 0.73 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 3gqy h THR 459 CO 0.06 0.03 0.65 0.00 0.37 0.00 0.00 175.52 176.62 3gqy h ALA 460 N 1.20 1.30 -0.12 6.16 0.00 -1.10 -1.35 119.26 125.36 3gqy h ALA 460 Ca 0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3gqy h ALA 460 Cb 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gqy h ALA 460 CO -0.17 0.55 -0.43 0.00 0.00 0.00 0.00 179.25 179.21 3gqy h ARG 461 N 1.26 0.49 0.00 0.00 3.08 -0.83 -3.24 114.38 115.14 3gqy h ARG 461 Ca 0.39 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3gqy h ARG 461 Cb -0.02 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3gqy h ARG 461 CO -0.12 1.00 -0.10 1.96 -1.07 0.00 0.00 179.97 181.64 3gqy h GLN 462 N 0.09 0.00 -0.24 0.04 4.20 -0.87 -3.10 115.11 115.23 3gqy h GLN 462 Ca -0.02 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.76 3gqy h GLN 462 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 3gqy h GLN 462 CO 0.09 0.10 0.22 0.00 -0.67 0.00 0.00 178.83 178.57 3gqy h ALA 463 N 1.90 1.98 -0.00 3.87 0.00 -1.27 -1.93 119.26 123.81 3gqy h ALA 463 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gqy h ALA 463 Cb 0.65 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3gqy h ALA 463 CO 0.01 -0.34 0.06 0.45 0.00 0.00 0.00 179.25 179.43 3gqy h HIS 464 N 0.00 0.00 0.00 0.00 3.86 -1.71 -1.38 115.15 115.92 3gqy h HIS 464 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 3gqy h HIS 464 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 3gqy h HIS 464 CO 0.00 0.00 0.00 -0.07 0.86 0.00 0.00 177.93 178.72 3gqy h LEU 465 N 0.00 0.00 -8.86 2.43 3.38 -1.60 -3.40 115.31 107.26 3gqy h LEU 465 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3gqy h LEU 465 Cb 0.12 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.68 3gqy h LEU 465 CO -0.00 0.00 -0.60 -0.31 0.09 0.00 0.00 178.44 177.62 3gqy s TYR 466 N -3.63 3.15 0.08 1.13 2.02 -0.52 -4.60 117.35 114.97 3gqy s TYR 466 Ca 0.00 -0.17 -0.37 0.00 -0.37 0.00 0.00 57.07 56.16 3gqy s TYR 466 Cb 0.09 -2.16 -0.17 0.00 -0.40 0.00 0.00 41.96 39.32 3gqy s TYR 466 CO 0.41 -0.11 1.33 -2.13 -1.57 0.00 0.00 175.55 173.47 3gqy n ARG 467 N 4.27 1.07 0.00 -0.62 3.00 -1.26 -2.26 116.66 120.87 3gqy n ARG 467 Ca -0.16 0.39 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 3gqy n ARG 467 Cb 0.52 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 30.96 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 2.47 3.20 3.66 5.14 0.00 0.11 -4.75 105.19 115.03 3gqy n GLY 468 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.28 4.74 -0.50 -0.61 1.01 -0.96 -0.35 121.20 122.26 3gqy s ILE 469 Ca 0.00 1.90 -0.09 0.00 0.00 0.00 0.00 60.65 62.46 3gqy s ILE 469 Cb 0.00 -4.25 0.13 0.00 0.01 0.00 0.00 42.46 38.34 3gqy s ILE 469 CO 0.00 -0.12 0.37 0.12 0.00 0.00 0.00 174.94 175.30 3gqy s PHE 470 N 2.92 3.45 0.16 3.97 5.36 0.16 -4.73 117.98 129.27 3gqy s PHE 470 Ca 0.42 -1.98 -0.30 0.00 -0.96 0.00 0.00 56.93 54.11 3gqy s PHE 470 Cb -0.16 -3.48 -0.07 0.00 -0.34 0.00 0.00 43.02 38.98 3gqy s PHE 470 CO 0.08 -0.98 0.97 -1.25 -1.46 0.00 0.00 175.22 172.57 3gqy s PRO 471 N 1.18 4.74 -0.04 10.12 0.04 -1.26 -1.62 135.00 148.16 3gqy s PRO 471 Ca 0.07 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.63 3gqy s PRO 471 Cb -0.25 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.96 3gqy s PRO 471 CO -0.02 0.30 -0.13 0.14 0.04 0.00 0.00 177.00 177.34 3gqy s VAL 472 N -0.42 1.14 -0.34 -0.36 -7.23 -0.09 -4.51 120.40 108.59 3gqy s VAL 472 Ca 0.45 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 59.95 3gqy s VAL 472 Cb -0.25 -1.01 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 3gqy s VAL 472 CO 0.31 0.34 0.27 -0.22 -0.31 0.00 0.00 175.10 175.50 3gqy s LEU 473 N 0.26 4.51 -0.19 1.32 2.96 -1.26 -2.19 118.68 124.10 3gqy s LEU 473 Ca -0.07 -0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 53.23 3gqy s LEU 473 Cb -0.12 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 3gqy s LEU 473 CO 0.02 -0.26 0.73 0.00 -1.32 0.00 0.00 176.35 175.52 3gqy n LYS 475 N 5.19 1.51 -2.12 0.00 4.76 -1.26 -4.38 118.16 121.86 3gqy n LYS 475 Ca 0.02 -1.13 -0.37 0.00 -2.87 0.00 0.00 58.31 53.96 3gqy n LYS 475 Cb 0.49 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.40 3gqy n LYS 475 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gqy s ASP 476 N -1.62 5.77 0.81 4.39 1.01 -1.26 -4.99 116.67 120.77 3gqy s ASP 476 Ca 0.16 2.40 -0.12 0.00 0.71 0.00 0.00 52.55 55.70 3gqy s ASP 476 Cb 0.13 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.54 3gqy s ASP 476 CO 0.30 -1.20 1.15 -2.84 0.21 0.00 0.00 175.17 172.80 3gqy s PRO 477 N -2.91 1.78 0.14 8.23 0.02 -1.26 -4.95 135.00 136.04 3gqy s PRO 477 Ca 0.69 1.51 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 3gqy s PRO 477 Cb -0.31 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.31 3gqy s PRO 477 CO 0.36 -2.06 1.38 0.08 -0.33 0.00 0.00 177.00 176.43 3gqy s VAL 478 N -2.49 3.25 0.50 3.83 1.01 -1.26 -5.00 120.40 120.24 3gqy s VAL 478 Ca 0.68 0.92 -0.17 0.00 0.00 0.00 0.00 61.98 63.41 3gqy s VAL 478 Cb -0.23 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3gqy s VAL 478 CO 0.52 0.09 0.97 -1.10 0.00 0.00 0.00 175.10 175.58 3gqy s GLN 479 N 0.82 3.98 0.09 2.72 -1.52 -1.26 -4.99 119.66 119.50 3gqy s GLN 479 Ca 0.63 0.96 -0.21 0.00 -1.95 0.00 0.00 55.36 54.79 3gqy s GLN 479 Cb -0.37 -2.15 -0.10 0.00 -0.22 0.00 0.00 33.01 30.16 3gqy s GLN 479 CO 0.32 -0.23 1.63 1.05 -0.25 0.00 0.00 175.29 177.81 3gqy h GLU 480 N 1.06 0.24 -5.88 2.91 4.11 -1.99 -3.41 114.58 111.62 3gqy h GLU 480 Ca -0.47 -0.04 -0.58 0.00 0.07 0.00 0.00 59.36 58.33 3gqy h GLU 480 Cb 1.18 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 3gqy h GLU 480 CO 0.62 0.31 0.41 0.00 0.07 0.00 0.00 179.01 180.42 3gqy s ALA 481 N -5.58 3.56 0.18 1.06 0.00 -1.26 -4.96 121.76 114.76 3gqy s ALA 481 Ca -0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 3gqy s ALA 481 Cb 0.07 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 20.04 3gqy s ALA 481 CO 0.70 -0.74 1.74 2.35 0.00 0.00 0.00 175.76 179.81 3gqy h TRP 482 N 7.45 0.96 -0.86 0.00 7.01 -2.00 -1.00 115.95 127.51 3gqy h TRP 482 Ca -0.27 -0.07 0.06 0.00 2.11 0.00 0.00 58.89 60.72 3gqy h TRP 482 Cb 1.12 -0.29 -0.06 0.00 -2.10 0.00 0.00 29.16 27.83 3gqy h TRP 482 CO 0.73 0.76 0.53 0.00 -2.79 0.00 0.00 178.44 177.67 3gqy h ALA 483 N 1.10 1.18 -0.10 2.65 0.00 -1.96 0.24 119.26 122.38 3gqy h ALA 483 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3gqy h ALA 483 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gqy h ALA 483 CO -0.02 0.28 -0.42 1.05 0.00 0.00 0.00 179.25 180.14 3gqy h GLU 484 N 0.97 0.21 -0.22 0.00 -0.00 -1.85 -1.21 114.58 112.48 3gqy h GLU 484 Ca 0.37 -0.10 -0.18 0.00 -0.00 0.00 0.00 59.36 59.45 3gqy h GLU 484 Cb 0.17 -0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.92 3gqy h GLU 484 CO -0.17 0.60 -0.58 0.22 -0.00 0.00 0.00 179.01 179.08 3gqy h ASP 485 N 0.18 0.79 0.13 3.06 3.58 -0.29 -1.00 116.42 122.87 3gqy h ASP 485 Ca 0.01 -0.44 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 3gqy h ASP 485 Cb 0.82 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.65 3gqy h ASP 485 CO 0.06 1.19 -0.06 0.58 -2.88 0.00 0.00 179.24 178.14 3gqy h VAL 486 N 0.53 0.90 -0.62 2.25 2.07 -0.86 -2.64 116.25 117.88 3gqy h VAL 486 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3gqy h VAL 486 Cb 1.16 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3gqy h VAL 486 CO 0.12 0.02 0.36 0.44 0.02 0.00 0.00 177.57 178.53 3gqy h ASP 487 N -0.22 0.75 -0.38 0.57 3.32 -1.18 0.14 116.42 119.43 3gqy h ASP 487 Ca -0.02 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3gqy h ASP 487 Cb 0.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3gqy h ASP 487 CO 0.03 0.59 0.24 0.25 -1.72 0.00 0.00 179.24 178.63 3gqy h LEU 488 N 0.86 0.44 -0.21 1.55 6.46 -1.15 0.50 115.31 123.77 3gqy h LEU 488 Ca 0.22 -0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.75 3gqy h LEU 488 Cb -0.01 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.82 3gqy h LEU 488 CO -0.04 0.33 -0.67 0.03 -0.62 0.00 0.00 178.44 177.47 3gqy h ARG 489 N 0.51 0.82 -0.14 1.25 3.08 -0.95 -1.39 114.38 117.55 3gqy h ARG 489 Ca 0.14 -0.61 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 3gqy h ARG 489 Cb -0.04 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3gqy h ARG 489 CO -0.03 1.22 0.09 0.28 -1.07 0.00 0.00 179.97 180.46 3gqy h VAL 490 N 0.57 1.07 -0.03 2.04 2.07 -0.71 -2.05 116.25 119.22 3gqy h VAL 490 Ca -0.02 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 3gqy h VAL 490 Cb 1.29 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3gqy h VAL 490 CO 0.14 0.06 -0.24 0.78 0.02 0.00 0.00 177.57 178.34 3gqy h ASN 491 N 0.16 0.04 -0.05 0.57 2.35 -0.89 -1.17 115.58 116.58 3gqy h ASN 491 Ca 0.05 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3gqy h ASN 491 Cb 0.03 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3gqy h ASN 491 CO -0.01 0.28 -0.08 0.15 -1.65 0.00 0.00 177.43 176.12 3gqy h PHE 492 N 0.04 -0.19 -0.89 1.19 3.57 -0.95 -0.97 116.94 118.74 3gqy h PHE 492 Ca 0.01 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3gqy h PHE 492 Cb 0.44 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 3gqy h PHE 492 CO 0.00 -0.12 0.57 0.00 -2.23 0.00 0.00 178.31 176.53 3gqy h ALA 493 N 0.92 1.18 -0.74 2.41 0.00 -0.60 -1.15 119.26 121.29 3gqy h ALA 493 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gqy h ALA 493 Cb 0.18 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3gqy h ALA 493 CO -0.12 0.40 0.48 0.52 0.00 0.00 0.00 179.25 180.53 3gqy h MET 494 N 1.09 0.92 -0.19 0.00 2.86 -0.94 -0.02 114.93 118.64 3gqy h MET 494 Ca 0.36 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.79 3gqy h MET 494 Cb 0.04 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3gqy h MET 494 CO -0.13 0.61 -0.54 -0.91 1.06 0.00 0.00 176.91 177.00 3gqy h ASN 495 N 0.94 0.63 -0.08 1.22 2.35 -0.67 -1.15 115.58 118.83 3gqy h ASN 495 Ca 0.29 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3gqy h ASN 495 Cb -0.03 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 3gqy h ASN 495 CO -0.09 1.05 0.02 0.58 -1.65 0.00 0.00 177.43 177.33 3gqy h VAL 496 N 0.44 1.20 -0.32 2.81 2.07 -1.02 -1.48 116.25 119.95 3gqy h VAL 496 Ca 0.01 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3gqy h VAL 496 Cb 1.08 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3gqy h VAL 496 CO 0.10 0.17 0.07 1.23 0.02 0.00 0.00 177.57 179.16 3gqy h GLY 497 N -0.09 0.37 0.97 2.17 0.00 -0.91 0.96 103.07 106.53 3gqy h GLY 497 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gqy h GLY 497 CO 0.00 -0.01 0.07 0.50 0.00 0.00 0.00 176.54 177.10 3gqy h LYS 498 N 0.18 0.16 -0.84 4.80 1.57 -1.24 0.16 116.57 121.37 3gqy h LYS 498 Ca 0.15 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 3gqy h LYS 498 Cb 0.16 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3gqy h LYS 498 CO -0.19 0.15 0.55 0.00 -0.57 0.00 0.00 179.45 179.38 3gqy h ALA 499 N 1.01 1.08 0.00 3.86 0.00 -0.74 -1.80 119.26 122.67 3gqy h ALA 499 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gqy h ALA 499 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3gqy h ALA 499 CO -0.01 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.20 3gqy n ARG 500 N -4.53 0.36 -1.08 0.00 5.12 0.28 -4.92 116.66 111.89 3gqy n ARG 500 Ca 0.09 0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 56.00 3gqy n ARG 500 Cb 0.05 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 29.84 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 1.17 0.60 0.17 -0.13 0.00 -0.62 -4.89 105.19 101.48 3gqy n GLY 501 Ca 0.13 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -2.56 1.61 0.04 -0.97 -3.42 116.94 111.65 3gqy h PHE 502 Ca -0.06 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.85 3gqy h PHE 502 Cb 0.20 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 3gqy h PHE 502 CO 0.09 0.48 0.46 -0.59 -0.60 0.00 0.00 178.31 178.14 3gqy s PHE 503 N -3.80 -0.04 0.27 -0.55 -0.12 -1.23 -4.88 117.98 107.62 3gqy s PHE 503 Ca -0.02 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 56.52 3gqy s PHE 503 Cb 0.13 0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 43.16 3gqy s PHE 503 CO 0.73 -1.01 0.09 -1.59 -0.05 0.00 0.00 175.22 173.39 3gqy s LYS 504 N -2.90 1.44 0.19 1.99 -2.85 -1.26 -4.01 119.74 112.34 3gqy s LYS 504 Ca 0.15 -1.78 -0.33 0.00 -1.00 0.00 0.00 55.97 53.01 3gqy s LYS 504 Cb -0.03 -0.37 -0.14 0.00 -2.06 0.00 0.00 37.83 35.23 3gqy s LYS 504 CO 0.05 -0.27 1.45 0.36 0.10 0.00 0.00 175.35 177.04 3gqy n LYS 505 N -0.49 1.91 0.00 1.78 2.85 -1.26 -1.94 118.16 121.00 3gqy n LYS 505 Ca -0.01 0.68 0.00 0.00 -1.05 0.00 0.00 58.31 57.94 3gqy n LYS 505 Cb 0.66 -2.37 0.00 0.00 -0.65 0.00 0.00 35.03 32.67 3gqy n LYS 505 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gqy n GLY 506 N 2.69 3.32 3.72 2.58 0.00 -0.21 -4.96 105.19 112.33 3gqy n GLY 506 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.62 3.73 -0.12 1.61 1.01 -0.82 -4.66 116.67 116.80 3gqy s ASP 507 Ca 0.00 1.84 -0.03 0.00 0.71 0.00 0.00 52.55 55.07 3gqy s ASP 507 Cb 0.00 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 3gqy s ASP 507 CO 0.00 -2.53 -0.01 0.54 0.21 0.00 0.00 175.17 173.39 3gqy s VAL 508 N -2.83 4.23 0.18 -1.27 0.11 -1.26 0.08 120.40 119.64 3gqy s VAL 508 Ca 0.63 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.50 3gqy s VAL 508 Cb -0.19 -2.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.81 3gqy s VAL 508 CO 0.57 0.56 -0.16 0.68 -3.33 0.00 0.00 175.10 173.42 3gqy s VAL 509 N -0.39 1.72 -0.15 2.04 -7.23 -0.09 -1.53 120.40 114.76 3gqy s VAL 509 Ca 0.07 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 3gqy s VAL 509 Cb -0.12 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3gqy s VAL 509 CO 0.02 -0.47 0.12 -0.63 -0.31 0.00 0.00 175.10 173.83 3gqy s ILE 510 N -2.52 5.35 -0.12 -0.62 -1.09 -0.60 -1.59 121.20 120.01 3gqy s ILE 510 Ca 0.18 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.78 3gqy s ILE 510 Cb -0.03 -3.38 0.01 0.00 -1.58 0.00 0.00 42.46 37.49 3gqy s ILE 510 CO 0.06 0.54 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.44 3gqy s VAL 511 N -0.40 1.73 -0.20 2.92 1.01 0.46 0.26 120.40 126.19 3gqy s VAL 511 Ca 0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3gqy s VAL 511 Cb -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3gqy s VAL 511 CO 0.01 0.49 -0.06 -0.76 0.00 0.00 0.00 175.10 174.78 3gqy s LEU 512 N 0.89 2.87 0.00 3.92 1.43 0.14 -0.65 118.68 127.27 3gqy s LEU 512 Ca -0.07 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.71 3gqy s LEU 512 Cb -0.15 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3gqy s LEU 512 CO -0.01 0.01 0.21 0.35 0.23 0.00 0.00 176.35 177.15 3gqy n THR 513 N 4.56 0.00 -2.09 5.49 -2.24 -0.37 -1.50 114.28 118.13 3gqy n THR 513 Ca -0.18 -2.06 -0.28 0.00 -2.27 0.00 0.00 64.05 59.26 3gqy n THR 513 Cb 0.51 0.96 0.05 0.00 -2.10 0.00 0.00 70.33 69.76 3gqy n THR 513 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gqy s GLY 514 N -3.01 1.63 -0.15 3.38 0.00 -1.26 -1.37 107.32 106.53 3gqy s GLY 514 Ca 0.30 -0.61 -0.10 0.00 0.00 0.00 0.00 44.72 44.32 3gqy s GLY 514 CO 0.21 -0.23 0.29 1.87 0.00 0.00 0.00 173.10 175.24 3gqy n TRP 515 N -2.93 1.13 -4.33 1.90 -0.00 -1.26 -4.73 117.44 107.23 3gqy n TRP 515 Ca 0.07 0.29 -0.20 0.00 -0.00 0.00 0.00 57.50 57.66 3gqy n TRP 515 Cb 0.59 -1.14 -0.11 0.00 -0.00 0.00 0.00 31.31 30.65 3gqy n TRP 515 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3gqy s ARG 516 N -2.51 1.26 -0.03 5.87 0.52 -1.26 -5.11 118.95 117.69 3gqy s ARG 516 Ca -0.25 -1.47 -0.19 0.00 -0.52 0.00 0.00 55.73 53.31 3gqy s ARG 516 Cb 0.07 -1.17 -0.23 0.00 0.52 0.00 0.00 34.95 34.14 3gqy s ARG 516 CO 0.72 0.22 1.19 -2.30 0.02 0.00 0.00 175.30 175.14 3gqy n PRO 517 N 0.01 0.00 -2.42 3.54 -0.02 -1.26 -5.13 135.00 129.72 3gqy n PRO 517 Ca -0.11 -0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 60.72 3gqy n PRO 517 Cb 0.59 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 3gqy n PRO 517 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3gqy n PHE 521 N 7.20 -4.23 -2.62 6.00 -0.00 -1.26 -5.18 117.46 117.37 3gqy n PHE 521 Ca 0.28 2.50 -0.43 0.00 -0.00 0.00 0.00 57.45 59.81 3gqy n PHE 521 Cb 0.36 -3.55 -0.02 0.00 -0.00 0.00 0.00 39.48 36.27 3gqy n PHE 521 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3gqy s THR 522 N -0.55 4.60 0.00 1.97 2.01 -1.26 -4.41 115.64 117.99 3gqy s THR 522 Ca -0.07 1.93 0.00 0.00 0.31 0.00 0.00 61.69 63.85 3gqy s THR 522 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.26 3gqy s THR 522 CO 0.20 -0.19 0.51 -0.46 -0.69 0.00 0.00 174.62 174.00 3gqy n ASN 523 N 6.40 0.00 -4.06 3.53 6.94 -0.86 -4.10 115.26 123.12 3gqy n ASN 523 Ca 0.12 -1.26 -0.29 0.00 -0.02 0.00 0.00 54.58 53.13 3gqy n ASN 523 Cb 0.46 -0.05 -0.17 0.00 -2.36 0.00 0.00 39.78 37.66 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 1.56 -0.13 5.53 2.01 -0.47 -4.90 115.64 119.24 3gqy s THR 524 Ca 0.00 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3gqy s THR 524 Cb 0.00 -1.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 3gqy s THR 524 CO 0.00 0.45 -0.17 -0.32 -0.69 0.00 0.00 174.62 173.89 3gqy s MET 525 N 1.10 3.22 -0.02 4.92 1.75 -1.26 -1.23 119.30 127.78 3gqy s MET 525 Ca -0.04 -0.77 0.05 0.00 -1.25 0.00 0.00 55.69 53.69 3gqy s MET 525 Cb -0.14 -2.52 -0.01 0.00 2.84 0.00 0.00 34.83 34.99 3gqy s MET 525 CO -0.04 0.14 -0.18 1.03 -0.65 0.00 0.00 175.02 175.32 3gqy s ARG 526 N 0.49 1.55 -0.40 4.11 0.52 0.17 -4.96 118.95 120.43 3gqy s ARG 526 Ca -0.12 -0.64 -0.14 0.00 -0.52 0.00 0.00 55.73 54.31 3gqy s ARG 526 Cb -0.16 -1.46 0.02 0.00 0.52 0.00 0.00 34.95 33.87 3gqy s ARG 526 CO 0.05 0.36 0.28 0.08 0.02 0.00 0.00 175.30 176.08 3gqy s VAL 527 N -0.31 5.07 0.06 3.52 1.01 -1.26 -0.40 120.40 128.09 3gqy s VAL 527 Ca 0.04 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3gqy s VAL 527 Cb -0.08 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3gqy s VAL 527 CO 0.00 -0.30 -0.15 0.68 0.00 0.00 0.00 175.10 175.33 3gqy s VAL 528 N 1.64 1.23 0.39 2.92 -7.23 -0.62 -4.99 120.40 113.74 3gqy s VAL 528 Ca 0.04 -1.23 -0.15 0.00 -1.81 0.00 0.00 61.98 58.83 3gqy s VAL 528 Cb -0.19 -1.14 -0.08 0.00 0.56 0.00 0.00 36.38 35.52 3gqy s VAL 528 CO 0.09 -0.10 0.81 -2.16 -0.31 0.00 0.00 175.10 173.43 3gqy s PRO 529 N -1.53 3.97 -0.03 4.82 0.04 -1.26 -0.92 135.00 140.09 3gqy s PRO 529 Ca 0.01 0.72 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 3gqy s PRO 529 Cb -0.09 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.07 3gqy s PRO 529 CO 0.02 0.02 1.19 0.08 0.04 0.00 0.00 177.00 178.35 3gqy s VAL 530 N -2.20 4.24 -2.00 -0.36 1.01 0.11 -4.89 120.40 116.31 3gqy s VAL 530 Ca 0.55 1.58 0.22 0.00 0.00 0.00 0.00 61.98 64.33 3gqy s VAL 530 Cb -0.10 -4.02 0.61 0.00 0.00 0.00 0.00 36.38 32.88 3gqy s VAL 530 CO 0.22 0.03 1.67 -2.65 0.00 0.00 0.00 175.10 174.37