#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqg n THR 7 N 0.00 1.35 -3.93 -3.53 -2.24 -1.26 -4.94 114.28 99.73 1nqg n THR 7 Ca 0.00 -1.32 -0.30 0.00 -2.27 0.00 0.00 64.05 60.16 1nqg n THR 7 Cb 0.00 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.34 1nqg n THR 7 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1nqg s LEU 8 N -1.58 2.50 0.00 3.22 0.05 -1.26 0.16 118.68 121.78 1nqg s LEU 8 Ca 0.22 -1.15 -0.05 0.00 0.05 0.00 0.00 54.13 53.19 1nqg s LEU 8 Cb 0.15 -1.16 0.11 0.00 -2.05 0.00 0.00 46.19 43.24 1nqg s LEU 8 CO 0.09 -0.23 0.70 1.33 -0.55 0.00 0.00 176.35 177.68 1nqg n VAL 9 N 4.69 0.00 0.00 1.48 0.24 -0.89 -4.81 118.33 119.04 1nqg n VAL 9 Ca -0.12 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1nqg n VAL 9 Cb 0.44 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 1nqg n VAL 9 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1nqg n VAL 10 N -2.70 0.00 -0.27 3.34 0.31 -1.26 -2.13 118.33 115.62 1nqg n VAL 10 Ca 0.10 0.00 0.21 0.00 -0.01 0.00 0.00 64.34 64.64 1nqg n VAL 10 Cb 0.35 -0.89 0.33 0.00 -0.91 0.00 0.00 33.84 32.73 1nqg n VAL 10 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1nqg n THR 11 N -2.61 -0.04 -0.19 2.52 -1.04 -1.26 -1.38 114.28 110.28 1nqg n THR 11 Ca 0.00 0.71 -0.07 0.00 -2.04 0.00 0.00 64.05 62.64 1nqg n THR 11 Cb 0.33 -1.17 0.02 0.00 -1.82 0.00 0.00 70.33 67.69 1nqg n THR 11 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nqg h ALA 12 N 0.54 0.71 0.00 2.41 0.00 -1.89 -3.35 119.26 117.68 1nqg h ALA 12 Ca 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1nqg h ALA 12 Cb 1.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1nqg h ALA 12 CO -0.08 0.28 -0.13 0.27 0.00 0.00 0.00 179.25 179.58 1nqg n ASN 13 N -4.56 0.55 0.00 0.00 2.04 -1.07 -5.01 115.26 107.21 1nqg n ASN 13 Ca 0.03 -1.63 0.00 0.00 -0.44 0.00 0.00 54.58 52.54 1nqg n ASN 13 Cb 0.12 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 1nqg n ASN 13 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1nqg n ARG 14 N -0.22 0.00 -4.36 -3.83 1.74 -0.48 -5.01 116.66 104.51 1nqg n ARG 14 Ca 0.02 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.83 1nqg n ARG 14 Cb 0.53 -0.04 -0.10 0.00 -1.02 0.00 0.00 32.46 31.82 1nqg n ARG 14 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1nqg s PHE 15 N -1.69 2.47 0.27 -1.55 0.40 -1.24 -4.77 117.98 111.88 1nqg s PHE 15 Ca 0.00 -0.29 -0.28 0.00 -0.60 0.00 0.00 56.93 55.76 1nqg s PHE 15 Cb 0.00 -1.21 -0.14 0.00 0.51 0.00 0.00 43.02 42.18 1nqg s PHE 15 CO 0.00 0.52 0.98 0.39 0.70 0.00 0.00 175.22 177.81 1nqg n GLU 16 N 0.11 1.24 -3.51 0.44 1.02 -1.26 -4.66 120.64 114.02 1nqg n GLU 16 Ca -0.11 0.43 -0.15 0.00 -0.02 0.00 0.00 57.16 57.31 1nqg n GLU 16 Cb 0.56 -1.79 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1nqg n GLU 16 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1nqg s GLN 17 N -1.42 1.11 0.16 3.49 -2.07 -0.91 -5.00 119.66 115.03 1nqg s GLN 17 Ca 0.60 -0.11 -0.30 0.00 -1.82 0.00 0.00 55.36 53.73 1nqg s GLN 17 Cb -0.73 0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 31.64 1nqg s GLN 17 CO 0.59 -0.41 0.98 -2.14 -1.32 0.00 0.00 175.29 172.99 1nqg s PRO 18 N -2.32 4.72 0.25 9.60 0.02 -1.26 -2.11 135.00 143.91 1nqg s PRO 18 Ca -0.06 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.45 1nqg s PRO 18 Cb -0.01 -3.33 0.46 0.00 0.02 0.00 0.00 34.50 31.65 1nqg s PRO 18 CO -0.00 0.27 1.79 0.00 -0.33 0.00 0.00 177.00 178.73 1nqg h ARG 19 N 5.10 0.72 -0.16 5.54 3.08 0.12 1.66 114.38 130.45 1nqg h ARG 19 Ca -0.44 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 59.62 1nqg h ARG 19 Cb 1.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1nqg h ARG 19 CO 0.71 0.47 0.49 0.66 -1.07 0.00 0.00 179.97 181.23 1nqg h SER 20 N 0.74 0.00 0.52 7.04 4.64 -1.93 1.51 113.55 126.07 1nqg h SER 20 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1nqg h SER 20 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1nqg h SER 20 CO -0.29 0.00 -0.30 1.07 -0.87 0.00 0.00 176.83 176.43 1nqg n THR 21 N -3.07 0.00 -3.16 2.95 5.66 0.57 -4.70 114.28 112.52 1nqg n THR 21 Ca 0.02 -0.03 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 1nqg n THR 21 Cb 0.58 0.08 -0.07 0.00 -1.55 0.00 0.00 70.33 69.37 1nqg n THR 21 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1nqg s VAL 22 N -2.83 4.93 -0.17 1.08 1.01 0.52 -4.91 120.40 120.03 1nqg s VAL 22 Ca 0.17 0.41 0.29 0.00 0.00 0.00 0.00 61.98 62.84 1nqg s VAL 22 Cb 0.18 -4.06 0.33 0.00 0.00 0.00 0.00 36.38 32.84 1nqg s VAL 22 CO 0.60 -0.32 1.86 -0.07 0.00 0.00 0.00 175.10 177.17 1nqg h LEU 23 N 9.32 0.00-10.06 3.92 3.38 -1.84 -3.43 115.31 116.59 1nqg h LEU 23 Ca -0.27 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.18 1nqg h LEU 23 Cb 1.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 1nqg h LEU 23 CO 0.82 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 179.19 1nqg s ALA 24 N -3.50 3.64 0.28 1.53 0.00 -1.26 -5.01 121.76 117.42 1nqg s ALA 24 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 1nqg s ALA 24 Cb 0.09 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.81 1nqg s ALA 24 CO 0.48 0.34 1.44 -2.14 0.00 0.00 0.00 175.76 175.88 1nqg s PRO 25 N -3.33 4.25 0.08 0.00 0.02 -1.26 -4.88 135.00 129.88 1nqg s PRO 25 Ca 0.44 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.66 1nqg s PRO 25 Cb -0.11 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.35 1nqg s PRO 25 CO 0.28 -0.41 0.31 -0.08 -0.33 0.00 0.00 177.00 176.77 1nqg s THR 26 N -0.27 0.09 -0.00 0.99 -1.32 -1.26 -1.96 115.64 111.91 1nqg s THR 26 Ca 0.58 -0.76 -0.04 0.00 -1.21 0.00 0.00 61.69 60.25 1nqg s THR 26 Cb -0.42 -1.12 -0.00 0.00 -1.51 0.00 0.00 72.50 69.44 1nqg s THR 26 CO 0.47 -0.42 0.08 -0.89 -2.21 0.00 0.00 174.62 171.65 1nqg s THR 27 N -3.32 0.07 -0.02 5.08 2.01 0.92 -4.98 115.64 115.39 1nqg s THR 27 Ca 0.00 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1nqg s THR 27 Cb 0.02 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.24 1nqg s THR 27 CO -0.08 -0.30 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.82 1nqg s VAL 28 N -0.97 0.41 -0.06 3.82 1.01 -1.26 -1.26 120.40 122.09 1nqg s VAL 28 Ca -0.11 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1nqg s VAL 28 Cb -0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 1nqg s VAL 28 CO 0.00 0.16 -0.21 -0.69 0.00 0.00 0.00 175.10 174.36 1nqg s VAL 29 N 0.46 1.75 0.57 2.92 1.01 -0.25 -4.92 120.40 121.93 1nqg s VAL 29 Ca -0.05 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1nqg s VAL 29 Cb -0.09 -1.50 0.07 0.00 0.00 0.00 0.00 36.38 34.86 1nqg s VAL 29 CO -0.00 0.49 0.56 0.42 0.00 0.00 0.00 175.10 176.57 1nqg s THR 30 N 0.03 1.71 -0.13 3.92 -4.23 -1.26 -0.86 115.64 114.83 1nqg s THR 30 Ca -0.06 -1.32 0.23 0.00 -1.18 0.00 0.00 61.69 59.36 1nqg s THR 30 Cb -0.13 -2.03 0.26 0.00 1.34 0.00 0.00 72.50 71.93 1nqg s THR 30 CO 0.04 0.00 1.70 -0.09 -0.54 0.00 0.00 174.62 175.73 1nqg h ARG 31 N 0.49 0.00 0.01 3.99 9.65 -1.66 -1.99 114.38 124.87 1nqg h ARG 31 Ca -0.33 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.37 1nqg h ARG 31 Cb 1.30 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.90 1nqg h ARG 31 CO 0.51 0.17 -0.69 0.37 2.80 0.00 0.00 179.97 183.13 1nqg h GLN 32 N 0.00 0.46 -0.47 0.20 4.15 -1.95 -2.54 115.11 114.96 1nqg h GLN 32 Ca -0.00 -0.50 0.05 0.00 0.77 0.00 0.00 58.65 58.96 1nqg h GLN 32 Cb 0.93 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.70 1nqg h GLN 32 CO 0.02 1.15 -0.35 -0.44 -1.93 0.00 0.00 178.83 177.28 1nqg h ASP 33 N -0.03 -1.25 -0.97 -0.69 3.32 -1.78 -1.95 116.42 113.06 1nqg h ASP 33 Ca -0.09 0.18 0.13 0.00 0.02 0.00 0.00 57.03 57.28 1nqg h ASP 33 Cb 1.40 0.54 -0.09 0.00 0.22 0.00 0.00 39.33 41.40 1nqg h ASP 33 CO 0.14 -0.18 0.60 0.40 -1.72 0.00 0.00 179.24 178.47 1nqg h ILE 34 N -0.09 0.87 0.00 0.35 2.04 -1.33 1.00 117.51 120.34 1nqg h ILE 34 Ca 0.08 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1nqg h ILE 34 Cb 0.29 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 1nqg h ILE 34 CO -0.49 0.16 -0.21 0.44 0.00 0.00 0.00 178.15 178.05 1nqg h ASP 35 N 0.90 0.00 0.21 1.72 3.32 -1.12 0.92 116.42 122.36 1nqg h ASP 35 Ca 0.50 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.25 1nqg h ASP 35 Cb 0.56 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.14 1nqg h ASP 35 CO -0.29 0.21 -1.34 0.03 -1.72 0.00 0.00 179.24 176.13 1nqg h ARG 36 N 0.00 0.44 0.00 3.56 3.08 0.20 -3.17 114.38 118.49 1nqg h ARG 36 Ca -0.00 -0.74 -0.03 0.00 0.07 0.00 0.00 59.98 59.27 1nqg h ARG 36 Cb 0.64 0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1nqg h ARG 36 CO 0.03 1.36 -0.14 -1.49 -1.07 0.00 0.00 179.97 178.65 1nqg h TRP 37 N -0.03 0.00 -0.99 3.04 6.55 0.20 -3.46 115.95 121.27 1nqg h TRP 37 Ca -0.24 0.00 -0.28 0.00 0.95 0.00 0.00 58.89 59.31 1nqg h TRP 37 Cb 1.99 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 30.20 1nqg h TRP 37 CO 0.14 0.14 -0.28 1.04 -1.05 0.00 0.00 178.44 178.44 1nqg n GLN 38 N -3.35 -1.00 -1.66 0.49 6.02 0.31 -4.97 117.38 113.22 1nqg n GLN 38 Ca -0.00 0.91 -0.42 0.00 -0.01 0.00 0.00 57.00 57.48 1nqg n GLN 38 Cb 0.36 -5.04 0.00 0.00 1.02 0.00 0.00 30.24 26.57 1nqg n GLN 38 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1nqg n SER 39 N -0.34 2.16 -0.21 1.08 7.64 -1.20 -4.91 113.62 117.85 1nqg n SER 39 Ca -0.14 1.14 0.06 0.00 1.01 0.00 0.00 58.87 60.93 1nqg n SER 39 Cb 0.50 -1.43 0.10 0.00 -1.01 0.00 0.00 64.21 62.37 1nqg n SER 39 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nqg n THR 40 N 0.02 1.50 -3.54 0.44 -2.24 -1.26 -4.98 114.28 104.22 1nqg n THR 40 Ca 0.07 -1.60 -0.13 0.00 -2.27 0.00 0.00 64.05 60.12 1nqg n THR 40 Cb 0.37 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 1nqg n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nqg s SER 41 N -1.85 -0.47 0.35 3.42 1.04 -1.26 -4.86 113.70 110.08 1nqg s SER 41 Ca 0.20 0.44 0.08 0.00 0.48 0.00 0.00 55.95 57.15 1nqg s SER 41 Cb 0.16 0.40 0.64 0.00 0.10 0.00 0.00 66.02 67.33 1nqg s SER 41 CO 0.04 -0.48 1.83 0.58 0.98 0.00 0.00 173.24 176.18 1nqg h VAL 42 N 2.61 1.23 0.00 5.02 2.07 -1.87 0.59 116.25 125.90 1nqg h VAL 42 Ca -0.22 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 1nqg h VAL 42 Cb 1.17 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1nqg h VAL 42 CO 0.34 0.33 -0.13 0.78 0.02 0.00 0.00 177.57 178.91 1nqg h ASN 43 N 0.23 0.00 -0.47 0.57 2.35 -1.95 0.65 115.58 116.95 1nqg h ASN 43 Ca 0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1nqg h ASN 43 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 1nqg h ASN 43 CO 0.04 0.13 -0.09 -0.78 -1.65 0.00 0.00 177.43 175.07 1nqg h ASP 44 N 0.00 0.93 0.09 5.81 -0.00 -1.28 0.97 116.42 122.93 1nqg h ASP 44 Ca -0.00 -0.29 -0.00 0.00 -0.00 0.00 0.00 57.03 56.73 1nqg h ASP 44 Cb 0.23 -0.25 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 1nqg h ASP 44 CO 0.02 1.04 -0.04 0.58 -0.00 0.00 0.00 179.24 180.84 1nqg h VAL 45 N 0.85 1.16 0.00 2.25 2.07 -1.07 -3.19 116.25 118.32 1nqg h VAL 45 Ca 0.14 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 1nqg h VAL 45 Cb 0.63 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1nqg h VAL 45 CO 0.04 0.26 -0.21 -0.07 0.02 0.00 0.00 177.57 177.61 1nqg h LEU 46 N -0.64 0.00 -2.66 2.57 3.38 -0.70 -2.29 115.31 114.97 1nqg h LEU 46 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nqg h LEU 46 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1nqg h LEU 46 CO 0.02 0.21 -0.01 0.08 0.09 0.00 0.00 178.44 178.83 1nqg h ARG 47 N 0.00 0.00 0.00 1.13 0.11 -0.79 -2.22 114.38 112.61 1nqg h ARG 47 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1nqg h ARG 47 Cb 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1nqg h ARG 47 CO 0.03 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.11 1nqg h ARG 48 N 0.00 0.00 -6.25 0.08 3.08 -1.52 -3.47 114.38 106.30 1nqg h ARG 48 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1nqg h ARG 48 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1nqg h ARG 48 CO 0.00 0.00 -0.39 -0.51 -1.07 0.00 0.00 179.97 178.00 1nqg s LEU 49 N -5.10 3.68 0.52 3.04 1.43 -0.84 -4.97 118.68 116.44 1nqg s LEU 49 Ca 0.07 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1nqg s LEU 49 Cb 0.10 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 1nqg s LEU 49 CO 0.55 -0.46 1.29 -2.84 0.23 0.00 0.00 176.35 175.12 1nqg s PRO 50 N -4.10 3.31 0.00 1.29 0.02 -1.26 -3.18 135.00 131.07 1nqg s PRO 50 Ca 0.44 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1nqg s PRO 50 Cb -0.07 -2.27 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1nqg s PRO 50 CO 0.29 -1.00 0.00 0.41 -0.33 0.00 0.00 177.00 176.36 1nqg n GLY 51 N 0.63 0.83 3.67 0.52 0.00 -1.26 -4.97 105.19 104.60 1nqg n GLY 51 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1nqg n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqg s VAL 52 N -3.44 5.34 -0.29 1.61 1.01 -1.19 -0.70 120.40 122.73 1nqg s VAL 52 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1nqg s VAL 52 Cb 0.00 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.93 1nqg s VAL 52 CO 0.00 0.34 0.00 -0.62 0.00 0.00 0.00 175.10 174.82 1nqg s ASP 53 N 1.00 4.29 -0.12 3.32 -1.08 0.36 -4.92 116.67 119.52 1nqg s ASP 53 Ca 0.09 -1.63 0.01 0.00 -0.52 0.00 0.00 52.55 50.50 1nqg s ASP 53 Cb -0.13 -1.34 -0.01 0.00 -1.46 0.00 0.00 42.92 39.98 1nqg s ASP 53 CO 0.05 -0.31 -0.14 -0.63 0.52 0.00 0.00 175.17 174.65 1nqg s ILE 54 N 1.22 2.95 0.26 4.11 1.01 -1.26 0.33 121.20 129.82 1nqg s ILE 54 Ca 0.02 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.05 1nqg s ILE 54 Cb -0.19 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.02 1nqg s ILE 54 CO -0.10 0.53 0.11 0.42 0.00 0.00 0.00 174.94 175.91 1nqg s THR 55 N 0.26 4.04 -0.27 2.92 -4.23 -0.45 -4.97 115.64 112.94 1nqg s THR 55 Ca -0.10 -1.60 -0.22 0.00 -1.18 0.00 0.00 61.69 58.59 1nqg s THR 55 Cb -0.16 -3.17 0.08 0.00 1.34 0.00 0.00 72.50 70.59 1nqg s THR 55 CO 0.06 -0.35 0.74 -1.58 -0.54 0.00 0.00 174.62 172.94 1nqg s GLN 56 N -3.75 0.76 -0.51 3.99 0.74 -1.26 -2.31 119.66 117.31 1nqg s GLN 56 Ca 0.32 1.05 -0.05 0.00 0.05 0.00 0.00 55.36 56.72 1nqg s GLN 56 Cb -0.07 0.29 -0.13 0.00 1.10 0.00 0.00 33.01 34.20 1nqg s GLN 56 CO 0.23 -0.11 2.51 0.09 -0.55 0.00 0.00 175.29 177.45 1nqg n ASN 57 N 3.27 4.71 0.00 6.67 4.13 -1.03 -4.08 115.26 128.93 1nqg n ASN 57 Ca -0.16 -2.27 0.00 0.00 1.68 0.00 0.00 54.58 53.83 1nqg n ASN 57 Cb 0.57 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.72 1nqg n ASN 57 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1nqg n GLY 58 N 3.14 0.46 0.00 7.41 0.00 -1.26 -4.65 105.19 110.29 1nqg n GLY 58 Ca 0.41 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1nqg n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqg n GLY 59 N 0.00 0.24 3.76 -0.02 0.00 -1.26 -4.82 105.19 103.08 1nqg n GLY 59 Ca 0.00 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1nqg n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqg s SER 60 N -1.02 5.49 0.00 1.61 1.04 -1.26 -2.50 113.70 117.06 1nqg s SER 60 Ca 0.00 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.27 1nqg s SER 60 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1nqg s SER 60 CO 0.00 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.40 1nqg n GLY 61 N 0.67 2.79 3.77 7.32 0.00 -1.26 -4.77 105.19 113.71 1nqg n GLY 61 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1nqg n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nqg s GLN 62 N -0.07 4.18 0.45 1.61 -1.52 -1.04 -4.83 119.66 118.44 1nqg s GLN 62 Ca 0.00 1.81 -0.21 0.00 -1.95 0.00 0.00 55.36 55.02 1nqg s GLN 62 Cb 0.00 -2.76 -0.13 0.00 -0.22 0.00 0.00 33.01 29.90 1nqg s GLN 62 CO 0.00 -0.20 0.32 1.28 -0.25 0.00 0.00 175.29 176.44 1nqg n LEU 63 N 0.27 -1.18 -3.76 2.90 4.77 -1.26 -4.60 117.00 114.14 1nqg n LEU 63 Ca 0.03 0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 56.74 1nqg n LEU 63 Cb 0.46 -1.02 -0.05 0.00 -2.33 0.00 0.00 43.42 40.48 1nqg n LEU 63 CO 0.51 -3.54 0.15 -0.94 -1.33 0.00 0.00 177.39 172.24 1nqg s SER 64 N -1.01 -0.16 -0.02 -1.43 1.04 -1.26 -2.45 113.70 108.41 1nqg s SER 64 Ca 0.62 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.55 1nqg s SER 64 Cb -0.57 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1nqg s SER 64 CO 0.60 -0.93 -0.08 -0.44 0.98 0.00 0.00 173.24 173.36 1nqg s SER 65 N -2.87 1.08 -0.42 7.02 0.01 -0.98 -4.55 113.70 112.99 1nqg s SER 65 Ca 0.09 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.10 1nqg s SER 65 Cb 0.01 -0.25 0.09 0.00 0.21 0.00 0.00 66.02 66.08 1nqg s SER 65 CO -0.06 0.07 0.26 -0.63 0.41 0.00 0.00 173.24 173.29 1nqg s ILE 66 N 0.12 4.04 -0.31 1.44 1.01 -1.26 -1.34 121.20 124.90 1nqg s ILE 66 Ca -0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 60.65 58.95 1nqg s ILE 66 Cb -0.07 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1nqg s ILE 66 CO 0.00 -0.56 0.22 -0.36 0.00 0.00 0.00 174.94 174.24 1nqg s PHE 67 N 1.37 3.22 -0.32 3.97 0.40 0.15 -4.58 117.98 122.19 1nqg s PHE 67 Ca 0.04 -0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.17 1nqg s PHE 67 Cb -0.23 -2.44 -0.02 0.00 0.51 0.00 0.00 43.02 40.84 1nqg s PHE 67 CO 0.01 -0.27 0.37 0.42 0.70 0.00 0.00 175.22 176.45 1nqg s ILE 68 N 1.75 5.16 -1.42 0.64 -1.09 -1.26 -0.49 121.20 124.49 1nqg s ILE 68 Ca 0.07 0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.69 1nqg s ILE 68 Cb -0.17 -3.78 0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1nqg s ILE 68 CO 0.11 -0.01 0.65 0.54 -1.23 0.00 0.00 174.94 174.99 1nqg n ARG 69 N 5.39 -4.27 -0.38 2.79 1.74 0.12 -1.90 116.66 120.15 1nqg n ARG 69 Ca -0.09 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1nqg n ARG 69 Cb 0.50 -4.98 0.00 0.00 -1.02 0.00 0.00 32.46 26.96 1nqg n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqg n GLY 70 N -1.73 1.98 3.88 -0.13 0.00 -1.26 -4.98 105.19 102.94 1nqg n GLY 70 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1nqg n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqg s THR 71 N -3.28 4.17 1.04 2.61 -4.23 -0.80 -4.87 115.64 110.28 1nqg s THR 71 Ca 0.00 0.66 -0.14 0.00 -1.18 0.00 0.00 61.69 61.03 1nqg s THR 71 Cb 0.00 -3.69 0.13 0.00 1.34 0.00 0.00 72.50 70.28 1nqg s THR 71 CO 0.00 -0.90 0.54 0.59 -0.54 0.00 0.00 174.62 174.31 1nqg n ASN 72 N -2.84 -1.68 0.00 3.99 3.02 -1.26 -4.37 115.26 112.12 1nqg n ASN 72 Ca 0.06 0.11 0.09 0.00 -0.03 0.00 0.00 54.58 54.82 1nqg n ASN 72 Cb 0.55 -1.19 0.43 0.00 -0.61 0.00 0.00 39.78 38.96 1nqg n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nqg n ALA 73 N -4.24 1.91 0.24 5.41 0.00 -1.26 -1.37 120.51 121.20 1nqg n ALA 73 Ca 0.05 -0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1nqg n ALA 73 Cb 0.56 -1.31 0.18 0.00 0.00 0.00 0.00 19.45 18.88 1nqg n ALA 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqg n SER 74 N -1.44 3.18 -1.64 0.00 3.41 -1.26 -4.26 113.62 111.61 1nqg n SER 74 Ca 0.06 -1.92 -0.07 0.00 -0.26 0.00 0.00 58.87 56.68 1nqg n SER 74 Cb 0.20 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.12 1nqg n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nqg n HIS 75 N 1.23 1.74 -5.12 7.33 8.25 -0.47 -4.81 115.22 123.38 1nqg n HIS 75 Ca 0.16 -0.98 -0.31 0.00 -0.26 0.00 0.00 57.72 56.33 1nqg n HIS 75 Cb 0.53 -0.56 -0.17 0.00 1.12 0.00 0.00 29.99 30.91 1nqg n HIS 75 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nqg s VAL 76 N -2.17 1.90 -0.25 1.59 0.11 -1.13 -1.91 120.40 118.53 1nqg s VAL 76 Ca 0.37 -0.93 -0.21 0.00 -2.93 0.00 0.00 61.98 58.28 1nqg s VAL 76 Cb 0.30 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 1nqg s VAL 76 CO 0.09 0.53 0.65 -0.22 -3.33 0.00 0.00 175.10 172.81 1nqg s LEU 77 N 0.32 4.07 -0.24 2.54 2.96 -0.86 -4.74 118.68 122.72 1nqg s LEU 77 Ca -0.16 0.76 -0.08 0.00 -0.22 0.00 0.00 54.13 54.43 1nqg s LEU 77 Cb -0.17 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1nqg s LEU 77 CO 0.07 -0.37 0.10 -0.69 -1.32 0.00 0.00 176.35 174.14 1nqg s VAL 78 N 2.47 4.69 0.03 1.68 1.01 -1.26 0.70 120.40 129.71 1nqg s VAL 78 Ca 0.27 -0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1nqg s VAL 78 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1nqg s VAL 78 CO 0.09 0.35 -0.19 -0.76 0.00 0.00 0.00 175.10 174.58 1nqg s LEU 79 N 1.35 2.54 -0.22 3.92 1.43 0.15 -0.52 118.68 127.32 1nqg s LEU 79 Ca 0.06 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1nqg s LEU 79 Cb -0.15 -1.48 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1nqg s LEU 79 CO 0.05 0.27 -0.06 -0.63 0.23 0.00 0.00 176.35 176.20 1nqg s ILE 80 N -0.87 3.16 -1.33 -0.59 -1.09 -0.46 0.21 121.20 120.22 1nqg s ILE 80 Ca 0.14 -0.61 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 1nqg s ILE 80 Cb -0.10 -2.45 0.03 0.00 -1.58 0.00 0.00 42.46 38.36 1nqg s ILE 80 CO 0.04 0.41 0.38 0.47 -1.23 0.00 0.00 174.94 175.01 1nqg n ASP 81 N 4.76 -4.56 0.00 3.58 8.00 -0.33 0.92 116.55 128.92 1nqg n ASP 81 Ca -0.18 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.12 1nqg n ASP 81 Cb 0.50 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.84 1nqg n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqg n GLY 82 N -1.18 2.85 3.46 0.44 0.00 -1.26 -5.02 105.19 104.48 1nqg n GLY 82 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1nqg n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqg s VAL 83 N -2.68 3.52 -0.48 1.61 1.01 0.26 -4.91 120.40 118.73 1nqg s VAL 83 Ca 0.00 -0.50 -0.47 0.00 0.00 0.00 0.00 61.98 61.01 1nqg s VAL 83 Cb 0.00 -2.50 -0.20 0.00 0.00 0.00 0.00 36.38 33.68 1nqg s VAL 83 CO 0.00 0.52 1.60 -1.14 0.00 0.00 0.00 175.10 176.08 1nqg n ARG 84 N 3.34 0.06 -1.72 2.72 0.63 -1.26 -1.35 116.66 119.07 1nqg n ARG 84 Ca -0.18 0.02 -0.62 0.00 -0.92 0.00 0.00 57.85 56.16 1nqg n ARG 84 Cb 0.53 -1.53 -0.08 0.00 0.45 0.00 0.00 32.46 31.82 1nqg n ARG 84 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1nqg n LEU 85 N 4.02 1.88 0.15 6.15 7.94 0.32 -4.78 117.00 132.68 1nqg n LEU 85 Ca 0.31 1.12 -0.14 0.00 -1.11 0.00 0.00 56.01 56.19 1nqg n LEU 85 Cb -0.05 -1.03 -0.08 0.00 0.53 0.00 0.00 43.42 42.79 1nqg n LEU 85 CO 0.89 -0.62 0.68 -0.55 -1.11 0.00 0.00 177.39 176.68 1nqg h ASN 86 N 6.24 -0.31 -1.44 1.96 -1.07 -1.90 -2.12 115.58 116.94 1nqg h ASN 86 Ca -0.46 -0.11 0.42 0.00 0.07 0.00 0.00 56.30 56.23 1nqg h ASN 86 Cb 1.34 0.08 -0.06 0.00 -2.07 0.00 0.00 38.32 37.61 1nqg h ASN 86 CO 0.96 -0.07 1.31 0.18 0.07 0.00 0.00 177.43 179.88 1nqg n LEU 87 N -5.17 0.00 0.11 6.14 4.77 -1.26 0.35 117.00 121.94 1nqg n LEU 87 Ca -0.10 0.86 0.13 0.00 -0.03 0.00 0.00 56.01 56.87 1nqg n LEU 87 Cb 0.22 -0.36 0.40 0.00 -2.33 0.00 0.00 43.42 41.34 1nqg n LEU 87 CO 0.33 -0.86 0.88 0.00 -1.33 0.00 0.00 177.39 176.42 1nqg h ALA 88 N 0.72 1.00 -0.66 -1.18 0.00 -1.63 -3.38 119.26 114.13 1nqg h ALA 88 Ca 0.68 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.64 1nqg h ALA 88 Cb 3.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 21.04 1nqg h ALA 88 CO -0.01 0.00 0.39 0.78 0.00 0.00 0.00 179.25 180.41 1nqg h GLY 89 N 4.36 0.96 0.39 0.00 0.00 -0.22 0.43 103.07 108.98 1nqg h GLY 89 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1nqg h GLY 89 CO 0.00 0.21 -0.12 -2.08 0.00 0.00 0.00 176.54 174.56 1nqg h VAL 90 N 0.75 0.58 0.00 4.60 2.07 -1.78 -3.28 116.25 119.18 1nqg h VAL 90 Ca 0.28 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1nqg h VAL 90 Cb 0.09 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1nqg h VAL 90 CO -0.14 0.14 0.00 0.77 0.02 0.00 0.00 177.57 178.37 1nqg h SER 91 N -0.94 0.00 -3.67 0.57 4.64 -1.82 -3.41 113.55 108.92 1nqg h SER 91 Ca -0.03 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.99 1nqg h SER 91 Cb 0.49 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.63 1nqg h SER 91 CO 0.05 0.00 -0.46 0.61 -0.87 0.00 0.00 176.83 176.16 1nqg n GLY 92 N 0.70 -0.20 3.52 -0.77 0.00 0.07 -4.91 105.19 103.61 1nqg n GLY 92 Ca 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nqg n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqg s SER 93 N -2.87 -0.73 0.14 1.61 0.15 -0.79 -4.74 113.70 106.47 1nqg s SER 93 Ca 0.27 1.04 -0.31 0.00 0.70 0.00 0.00 55.95 57.65 1nqg s SER 93 Cb -0.12 1.71 -0.11 0.00 -1.71 0.00 0.00 66.02 65.80 1nqg s SER 93 CO 0.33 -0.15 1.83 0.00 1.20 0.00 0.00 173.24 176.45 1nqg s ALA 94 N 2.29 3.79 -0.21 5.45 0.00 -1.26 -4.59 121.76 127.24 1nqg s ALA 94 Ca -0.05 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 1nqg s ALA 94 Cb -0.07 -3.76 0.09 0.00 0.00 0.00 0.00 23.12 19.38 1nqg s ALA 94 CO -0.18 -1.20 0.21 0.34 0.00 0.00 0.00 175.76 174.94 1nqg s ASP 95 N 2.55 1.51 0.00 0.00 -1.08 -1.26 -4.35 116.67 114.04 1nqg s ASP 95 Ca 0.81 -0.30 0.28 0.00 -0.52 0.00 0.00 52.55 52.81 1nqg s ASP 95 Cb -0.47 0.33 0.99 0.00 -1.46 0.00 0.00 42.92 42.31 1nqg s ASP 95 CO 0.36 -0.33 1.71 0.18 0.52 0.00 0.00 175.17 177.60 1nqg n LEU 96 N 5.31 1.26 -0.01 -1.34 4.77 -1.26 -4.10 117.00 121.63 1nqg n LEU 96 Ca -0.05 -0.39 0.22 0.00 -0.03 0.00 0.00 56.01 55.75 1nqg n LEU 96 Cb 0.49 -0.05 0.52 0.00 -2.33 0.00 0.00 43.42 42.06 1nqg n LEU 96 CO 0.08 0.22 1.20 -1.28 -1.33 0.00 0.00 177.39 176.27 1nqg h SER 97 N 1.85 0.00 -0.01 -1.43 0.87 -1.89 -0.05 113.55 112.89 1nqg h SER 97 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1nqg h SER 97 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1nqg h SER 97 CO 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 176.83 175.90 1nqg n GLN 98 N -3.28 2.30 -2.32 2.24 1.13 -1.26 -4.23 117.38 111.96 1nqg n GLN 98 Ca 0.14 -0.42 -0.42 0.00 -1.94 0.00 0.00 57.00 54.36 1nqg n GLN 98 Cb 1.09 -1.14 -0.03 0.00 0.11 0.00 0.00 30.24 30.27 1nqg n GLN 98 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1nqg s PHE 99 N -1.85 3.34 -0.06 1.08 5.36 -0.03 -4.97 117.98 120.85 1nqg s PHE 99 Ca 0.08 1.15 -0.30 0.00 -0.96 0.00 0.00 56.93 56.91 1nqg s PHE 99 Cb 0.10 -3.52 -0.05 0.00 -0.34 0.00 0.00 43.02 39.21 1nqg s PHE 99 CO 0.40 -1.73 1.52 -2.14 -1.46 0.00 0.00 175.22 171.81 1nqg s PRO 100 N 1.15 4.21 0.45 10.12 0.02 -1.26 -4.56 135.00 145.13 1nqg s PRO 100 Ca 0.61 2.03 0.23 0.00 0.02 0.00 0.00 61.00 63.89 1nqg s PRO 100 Cb -0.32 -3.84 1.04 0.00 0.02 0.00 0.00 34.50 31.41 1nqg s PRO 100 CO 0.29 -0.76 1.90 0.97 -0.33 0.00 0.00 177.00 179.08 1nqg h ILE 101 N 5.39 0.71 0.00 2.83 6.09 -1.93 -2.04 117.51 128.56 1nqg h ILE 101 Ca -0.36 -1.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.13 1nqg h ILE 101 Cb 1.16 1.63 0.00 0.00 0.47 0.00 0.00 36.82 40.08 1nqg h ILE 101 CO 0.95 0.23 0.00 0.00 -3.07 0.00 0.00 178.15 176.26 1nqg n ALA 102 N -2.29 1.38 0.92 0.18 0.00 -1.26 -0.15 120.51 119.28 1nqg n ALA 102 Ca -0.01 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1nqg n ALA 102 Cb 0.37 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 18.73 1nqg n ALA 102 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nqg n LEU 103 N -1.44 0.75 -4.68 0.00 4.32 -0.77 -4.94 117.00 110.24 1nqg n LEU 103 Ca 0.02 -0.25 -0.43 0.00 -0.02 0.00 0.00 56.01 55.33 1nqg n LEU 103 Cb 0.08 -0.10 -0.02 0.00 -1.62 0.00 0.00 43.42 41.75 1nqg n LEU 103 CO 0.06 0.17 0.90 -0.69 -1.22 0.00 0.00 177.39 176.62 1nqg s VAL 104 N -3.04 4.52 -0.05 4.08 1.01 0.78 -4.40 120.40 123.30 1nqg s VAL 104 Ca 0.08 1.82 0.06 0.00 0.00 0.00 0.00 61.98 63.94 1nqg s VAL 104 Cb 0.16 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 1nqg s VAL 104 CO 0.80 -0.04 0.04 0.00 0.00 0.00 0.00 175.10 175.90 1nqg n GLN 105 N 5.48 2.51 -3.52 2.72 1.13 -0.67 -4.84 117.38 120.20 1nqg n GLN 105 Ca 0.11 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 55.02 1nqg n GLN 105 Cb 0.47 -1.16 -0.04 0.00 0.11 0.00 0.00 30.24 29.61 1nqg n GLN 105 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1nqg s ARG 106 N -2.21 0.92 -0.00 -1.09 3.52 -0.85 -1.74 118.95 117.50 1nqg s ARG 106 Ca -0.03 0.01 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 1nqg s ARG 106 Cb 0.02 0.43 -0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1nqg s ARG 106 CO 0.26 -0.33 0.02 0.08 -0.81 0.00 0.00 175.30 174.52 1nqg s VAL 107 N -1.94 0.04 -0.02 7.11 1.01 -0.04 -0.53 120.40 126.04 1nqg s VAL 107 Ca -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1nqg s VAL 107 Cb -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.25 1nqg s VAL 107 CO 0.00 -0.17 -0.02 -1.61 0.00 0.00 0.00 175.10 173.31 1nqg s GLU 108 N -0.50 0.32 -0.05 2.72 2.02 0.23 -1.09 118.70 122.34 1nqg s GLU 108 Ca -0.06 -0.04 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 1nqg s GLU 108 Cb -0.04 -0.38 0.04 0.00 0.10 0.00 0.00 34.13 33.85 1nqg s GLU 108 CO -0.00 -0.02 0.10 -0.47 0.02 0.00 0.00 175.26 174.89 1nqg s TYR 109 N 0.40 -0.06 -0.13 1.61 5.04 -0.39 -0.46 117.35 123.36 1nqg s TYR 109 Ca -0.04 0.36 -0.00 0.00 -2.44 0.00 0.00 57.07 54.95 1nqg s TYR 109 Cb -0.07 -0.27 0.03 0.00 0.35 0.00 0.00 41.96 42.00 1nqg s TYR 109 CO -0.01 -0.18 -0.07 0.42 -1.34 0.00 0.00 175.55 174.38 1nqg s ILE 110 N 1.67 1.06 0.30 3.14 1.01 -1.13 -0.06 121.20 127.19 1nqg s ILE 110 Ca -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1nqg s ILE 110 Cb -0.12 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1nqg s ILE 110 CO -0.04 0.29 0.52 -0.13 0.00 0.00 0.00 174.94 175.58 1nqg s ARG 111 N 1.68 3.54 0.00 2.79 0.52 -0.83 -0.60 118.95 126.06 1nqg s ARG 111 Ca 0.04 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1nqg s ARG 111 Cb -0.13 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.64 1nqg s ARG 111 CO -0.08 0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.87 1nqg n GLY 112 N -1.28 1.15 3.76 -3.53 0.00 0.15 -4.37 105.19 101.07 1nqg n GLY 112 Ca -0.04 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1nqg n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nqg s PRO 113 N -1.72 4.48 -0.30 1.61 0.02 -1.22 -3.11 135.00 134.76 1nqg s PRO 113 Ca 0.00 2.02 0.19 0.00 0.02 0.00 0.00 61.00 63.23 1nqg s PRO 113 Cb 0.00 -3.14 0.47 0.00 0.02 0.00 0.00 34.50 31.85 1nqg s PRO 113 CO 0.00 -0.03 1.12 -2.13 -0.33 0.00 0.00 177.00 175.64 1nqg n ARG 114 N 1.22 1.43 0.13 5.54 0.63 -1.00 -4.87 116.66 119.75 1nqg n ARG 114 Ca 0.00 -3.02 0.01 0.00 -0.92 0.00 0.00 57.85 53.93 1nqg n ARG 114 Cb 0.43 -1.12 0.05 0.00 0.45 0.00 0.00 32.46 32.28 1nqg n ARG 114 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1nqg h SER 115 N 2.52 0.00 0.06 6.15 0.02 -1.73 -0.22 113.55 120.35 1nqg h SER 115 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1nqg h SER 115 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1nqg h SER 115 CO 0.23 0.59 0.00 0.00 -1.14 0.00 0.00 176.83 176.51 1nqg n ALA 116 N -2.27 2.13 0.00 3.77 0.00 -1.26 0.20 120.51 123.08 1nqg n ALA 116 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1nqg n ALA 116 Cb 0.74 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1nqg n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nqg n VAL 117 N -1.05 0.00 0.08 0.00 0.31 -1.03 -3.53 118.33 113.11 1nqg n VAL 117 Ca 0.13 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.47 1nqg n VAL 117 Cb 0.08 -0.67 0.01 0.00 -0.91 0.00 0.00 33.84 32.34 1nqg n VAL 117 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1nqg n TYR 118 N -2.19 0.01 -3.41 3.52 4.02 -0.12 -4.96 117.16 114.03 1nqg n TYR 118 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1nqg n TYR 118 Cb 0.46 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1nqg n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqg n GLY 119 N 0.09 -1.19 3.75 2.72 0.00 0.54 -4.97 105.19 106.12 1nqg n GLY 119 Ca 0.01 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1nqg n GLY 119 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqg s SER 120 N -4.00 5.18 0.00 1.61 0.15 -1.26 -3.54 113.70 111.84 1nqg s SER 120 Ca 0.00 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1nqg s SER 120 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1nqg s SER 120 CO 0.00 -1.61 0.00 0.47 1.20 0.00 0.00 173.24 173.30 1nqg n ASP 121 N -1.44 0.00 -4.46 5.45 8.00 -0.69 -4.91 116.55 118.49 1nqg n ASP 121 Ca 0.13 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.19 1nqg n ASP 121 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1nqg n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nqg n ALA 122 N -1.23 3.87 -0.02 2.24 0.00 -1.23 -2.04 120.51 122.09 1nqg n ALA 122 Ca 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 53.44 49.34 1nqg n ALA 122 Cb 0.00 -3.32 -0.01 0.00 0.00 0.00 0.00 19.45 16.11 1nqg n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nqg n ILE 123 N 5.38 1.26 -0.13 0.00 5.41 -1.14 -2.36 119.36 127.78 1nqg n ILE 123 Ca 0.43 0.26 -0.09 0.00 1.00 0.00 0.00 62.75 64.36 1nqg n ILE 123 Cb 0.44 -1.94 -0.01 0.00 -0.71 0.00 0.00 39.64 37.42 1nqg n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1nqg h GLY 124 N -0.49 0.61 0.00 7.39 0.00 -1.63 -3.22 103.07 105.72 1nqg h GLY 124 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1nqg h GLY 124 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1nqg n GLY 125 N -0.81 -1.01 3.35 4.60 0.00 -1.18 0.34 105.19 110.48 1nqg n GLY 125 Ca -0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1nqg n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqg s VAL 126 N -3.00 1.93 -0.12 1.61 1.01 0.23 -2.86 120.40 119.20 1nqg s VAL 126 Ca 0.00 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.09 1nqg s VAL 126 Cb 0.00 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.56 1nqg s VAL 126 CO 0.00 -0.22 -0.01 -0.69 0.00 0.00 0.00 175.10 174.18 1nqg s VAL 127 N -1.78 0.64 -0.27 2.92 1.01 0.22 -2.83 120.40 120.30 1nqg s VAL 127 Ca 0.15 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1nqg s VAL 127 Cb -0.07 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.51 1nqg s VAL 127 CO 0.07 0.15 -0.08 0.21 0.00 0.00 0.00 175.10 175.45 1nqg s ASN 128 N 1.85 4.52 -0.40 3.32 2.47 0.39 0.29 114.94 127.39 1nqg s ASN 128 Ca 0.03 -1.34 -0.19 0.00 0.42 0.00 0.00 52.86 51.78 1nqg s ASN 128 Cb -0.14 -1.59 0.01 0.00 -1.45 0.00 0.00 41.25 38.08 1nqg s ASN 128 CO -0.07 -0.20 0.57 -0.63 -3.72 0.00 0.00 177.10 173.05 1nqg s ILE 129 N 1.15 4.93 -0.19 -5.21 1.01 0.13 -0.60 121.20 122.42 1nqg s ILE 129 Ca -0.08 0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1nqg s ILE 129 Cb -0.20 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1nqg s ILE 129 CO -0.04 -0.41 0.13 -0.63 0.00 0.00 0.00 174.94 173.99 1nqg s ILE 130 N 2.57 5.42 -1.30 2.92 1.01 0.31 -1.19 121.20 130.94 1nqg s ILE 130 Ca 0.20 0.20 0.12 0.00 0.00 0.00 0.00 60.65 61.17 1nqg s ILE 130 Cb -0.15 -3.47 0.22 0.00 0.01 0.00 0.00 42.46 39.07 1nqg s ILE 130 CO 0.16 0.46 1.08 0.35 0.00 0.00 0.00 174.94 176.99 1nqg n THR 131 N 3.34 0.49 -4.09 2.92 -2.24 -1.26 -1.67 114.28 111.77 1nqg n THR 131 Ca -0.16 -0.74 -0.36 0.00 -2.27 0.00 0.00 64.05 60.52 1nqg n THR 131 Cb 0.52 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 1nqg n THR 131 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nqg s THR 132 N -1.02 4.92 0.04 4.28 2.01 -1.26 -4.74 115.64 119.87 1nqg s THR 132 Ca 0.20 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 1nqg s THR 132 Cb 0.12 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1nqg s THR 132 CO 0.17 0.58 -0.03 0.00 -0.69 0.00 0.00 174.62 174.64 1nqg s ARG 133 N -0.66 0.49 -0.57 4.92 1.70 -1.26 -4.84 118.95 118.72 1nqg s ARG 133 Ca 0.12 -0.93 -0.05 0.00 -0.47 0.00 0.00 55.73 54.40 1nqg s ARG 133 Cb -0.12 0.11 0.15 0.00 -0.57 0.00 0.00 34.95 34.52 1nqg s ARG 133 CO 0.02 -0.07 0.40 0.34 -1.08 0.00 0.00 175.30 174.91 1nqg s ASP 134 N -2.20 5.42 -0.43 -2.89 -1.08 -1.26 -4.93 116.67 109.30 1nqg s ASP 134 Ca -0.04 -2.52 0.07 0.00 -0.52 0.00 0.00 52.55 49.54 1nqg s ASP 134 Cb -0.01 -1.90 0.18 0.00 -1.46 0.00 0.00 42.92 39.73 1nqg s ASP 134 CO -0.05 -0.47 0.68 -0.70 0.52 0.00 0.00 175.17 175.15 1nqg s GLU 135 N 0.43 0.85 0.62 4.34 2.56 -1.26 -5.15 118.70 121.09 1nqg s GLU 135 Ca 0.13 -0.45 -0.17 0.00 0.00 0.00 0.00 54.97 54.48 1nqg s GLU 135 Cb -0.21 0.06 -0.02 0.00 2.00 0.00 0.00 34.13 35.96 1nqg s GLU 135 CO -0.04 -1.17 1.15 -2.14 -0.56 0.00 0.00 175.26 172.50 1nqg s PRO 136 N 1.60 2.92 0.00 4.30 0.02 -1.26 -4.59 135.00 137.99 1nqg s PRO 136 Ca 0.20 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1nqg s PRO 136 Cb -0.02 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1nqg s PRO 136 CO -0.07 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 175.82 1nqg n GLY 137 N 0.05 1.34 3.23 0.52 0.00 -0.13 -4.89 105.19 105.31 1nqg n GLY 137 Ca 0.12 -2.22 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 1nqg n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqg s THR 138 N -1.38 1.43 -0.06 2.61 -4.23 -1.26 0.26 115.64 113.01 1nqg s THR 138 Ca 0.00 -1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 59.10 1nqg s THR 138 Cb 0.00 -1.31 0.02 0.00 1.34 0.00 0.00 72.50 72.55 1nqg s THR 138 CO 0.00 -0.09 0.14 -0.70 -0.54 0.00 0.00 174.62 173.43 1nqg s GLU 139 N -1.71 0.14 -0.07 3.99 2.12 0.21 -1.93 118.70 121.45 1nqg s GLU 139 Ca 0.03 0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.66 1nqg s GLU 139 Cb -0.10 -0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.28 1nqg s GLU 139 CO 0.03 -0.06 -0.22 0.42 -0.54 0.00 0.00 175.26 174.88 1nqg s ILE 140 N 0.42 2.27 0.28 -3.70 1.01 -0.70 -0.53 121.20 120.25 1nqg s ILE 140 Ca -0.03 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 1nqg s ILE 140 Cb -0.04 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1nqg s ILE 140 CO -0.02 0.57 0.63 -0.94 0.00 0.00 0.00 174.94 175.18 1nqg s SER 141 N -0.10 -0.14 0.00 3.58 1.04 -0.36 -0.62 113.70 117.10 1nqg s SER 141 Ca -0.05 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.59 1nqg s SER 141 Cb -0.14 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1nqg s SER 141 CO 0.04 -1.30 0.00 0.00 0.98 0.00 0.00 173.24 172.96 1nqg n ALA 142 N -0.44 0.00 -3.66 5.32 0.00 -0.91 -0.72 120.51 120.10 1nqg n ALA 142 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1nqg n ALA 142 Cb 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1nqg n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nqg s GLY 143 N 0.00 0.36 0.00 0.00 0.00 0.29 -1.99 107.32 105.97 1nqg s GLY 143 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1nqg s GLY 143 CO 0.00 -0.35 -0.03 -0.98 0.00 0.00 0.00 173.10 171.74 1nqg s TRP 144 N -3.11 0.25 0.31 1.90 0.51 -0.17 -1.42 118.94 117.21 1nqg s TRP 144 Ca 0.16 -0.08 -0.18 0.00 -2.12 0.00 0.00 56.10 53.88 1nqg s TRP 144 Cb -0.04 -0.16 0.07 0.00 -0.81 0.00 0.00 33.47 32.52 1nqg s TRP 144 CO 0.11 -0.02 0.89 0.20 -0.51 0.00 0.00 176.95 177.63 1nqg s GLY 145 N -0.18 0.30 0.00 0.98 0.00 -0.79 -1.54 107.32 106.08 1nqg s GLY 145 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.09 1nqg s GLY 145 CO -0.00 0.88 0.93 1.44 0.00 0.00 0.00 173.10 176.34 1nqg n SER 146 N -1.41 1.53 -2.43 1.64 7.64 -0.61 -1.85 113.62 118.13 1nqg n SER 146 Ca -0.06 -1.57 -0.03 0.00 1.01 0.00 0.00 58.87 58.22 1nqg n SER 146 Cb 0.60 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1nqg n SER 146 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nqg n ASN 147 N 2.28 -0.90 -1.47 6.43 5.03 -1.26 -4.84 115.26 120.53 1nqg n ASN 147 Ca 0.05 -1.51 -0.18 0.00 0.87 0.00 0.00 54.58 53.81 1nqg n ASN 147 Cb 0.20 0.80 -0.07 0.00 -1.02 0.00 0.00 39.78 39.69 1nqg n ASN 147 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1nqg n SER 148 N -0.44 -5.17 -4.71 6.41 3.41 -1.01 -3.87 113.62 108.24 1nqg n SER 148 Ca -0.23 0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1nqg n SER 148 Cb 0.62 -4.25 -0.03 0.00 -0.26 0.00 0.00 64.21 60.29 1nqg n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqg n TYR 149 N -2.69 2.71 -3.94 7.33 9.36 -0.77 -4.37 117.16 124.79 1nqg n TYR 149 Ca -0.18 0.07 -0.10 0.00 3.32 0.00 0.00 57.90 61.00 1nqg n TYR 149 Cb 0.60 -2.66 -0.11 0.00 -0.63 0.00 0.00 39.34 36.54 1nqg n TYR 149 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1nqg s GLN 150 N 1.09 0.29 -0.08 2.98 0.74 0.56 -1.89 119.66 123.35 1nqg s GLN 150 Ca 0.75 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 55.43 1nqg s GLN 150 Cb -0.52 0.11 0.07 0.00 1.10 0.00 0.00 33.01 33.76 1nqg s GLN 150 CO 0.33 -0.05 0.68 1.21 -0.55 0.00 0.00 175.29 176.91 1nqg s ASN 151 N -1.14 -0.66 0.04 6.67 3.84 -0.51 -1.50 114.94 121.68 1nqg s ASN 151 Ca -0.13 0.79 -0.23 0.00 0.21 0.00 0.00 52.86 53.51 1nqg s ASN 151 Cb -0.08 0.65 0.05 0.00 -0.55 0.00 0.00 41.25 41.33 1nqg s ASN 151 CO -0.00 -0.56 0.54 -0.72 -2.79 0.00 0.00 177.10 173.56 1nqg s TYR 152 N -1.00 -0.45 -0.29 0.43 -0.85 -0.97 0.10 117.35 114.33 1nqg s TYR 152 Ca -0.10 0.53 -0.23 0.00 -0.52 0.00 0.00 57.07 56.76 1nqg s TYR 152 Cb -0.01 0.36 0.14 0.00 0.38 0.00 0.00 41.96 42.83 1nqg s TYR 152 CO 0.09 -0.65 1.08 0.34 -1.52 0.00 0.00 175.55 174.89 1nqg s ASP 153 N -1.92 -0.40 -0.05 -0.18 -1.08 0.10 -1.49 116.67 111.66 1nqg s ASP 153 Ca -0.06 0.74 0.03 0.00 -0.52 0.00 0.00 52.55 52.74 1nqg s ASP 153 Cb -0.01 0.83 0.00 0.00 -1.46 0.00 0.00 42.92 42.29 1nqg s ASP 153 CO -0.01 -0.12 -0.13 -0.69 0.52 0.00 0.00 175.17 174.74 1nqg s VAL 154 N 0.42 1.14 0.03 1.11 1.01 -0.64 -1.22 120.40 122.25 1nqg s VAL 154 Ca 0.01 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1nqg s VAL 154 Cb -0.05 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1nqg s VAL 154 CO -0.09 0.35 -0.06 -0.55 0.00 0.00 0.00 175.10 174.74 1nqg s SER 155 N 0.32 0.64 -0.26 3.32 0.15 0.31 -2.27 113.70 115.91 1nqg s SER 155 Ca -0.08 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 55.86 1nqg s SER 155 Cb -0.12 0.04 0.11 0.00 -1.71 0.00 0.00 66.02 64.33 1nqg s SER 155 CO 0.02 -0.19 0.95 0.28 1.20 0.00 0.00 173.24 175.51 1nqg s THR 156 N -1.19 0.00 -0.05 6.45 -1.32 -0.68 -0.62 115.64 118.23 1nqg s THR 156 Ca -0.10 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.41 1nqg s THR 156 Cb -0.09 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.91 1nqg s THR 156 CO -0.00 0.00 -0.13 -1.58 -2.21 0.00 0.00 174.62 170.70 1nqg s GLN 157 N 0.11 1.55 0.23 7.08 0.74 0.14 -0.96 119.66 128.55 1nqg s GLN 157 Ca 0.02 -0.45 -0.13 0.00 0.05 0.00 0.00 55.36 54.84 1nqg s GLN 157 Cb -0.04 -1.33 -0.00 0.00 1.10 0.00 0.00 33.01 32.73 1nqg s GLN 157 CO -0.03 0.12 0.47 -0.65 -0.55 0.00 0.00 175.29 174.65 1nqg s GLN 158 N 0.33 1.50 0.24 1.67 -0.21 -0.30 -0.95 119.66 121.94 1nqg s GLN 158 Ca -0.08 -1.20 -0.18 0.00 0.02 0.00 0.00 55.36 53.92 1nqg s GLN 158 Cb -0.13 0.47 -0.08 0.00 1.00 0.00 0.00 33.01 34.27 1nqg s GLN 158 CO 0.02 -0.62 0.72 -0.65 -2.12 0.00 0.00 175.29 172.64 1nqg s GLN 159 N -4.00 4.18 -0.54 2.91 -1.52 -1.26 -0.09 119.66 119.35 1nqg s GLN 159 Ca 0.20 0.80 0.06 0.00 -1.95 0.00 0.00 55.36 54.47 1nqg s GLN 159 Cb -0.00 -2.78 0.36 0.00 -0.22 0.00 0.00 33.01 30.37 1nqg s GLN 159 CO 0.07 0.34 0.97 1.28 -0.25 0.00 0.00 175.29 177.70 1nqg n LEU 160 N 0.47 4.29 0.00 2.90 4.32 -0.53 -4.89 117.00 123.55 1nqg n LEU 160 Ca -0.01 -5.53 0.00 0.00 -0.02 0.00 0.00 56.01 50.45 1nqg n LEU 160 Cb 0.52 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 1nqg n LEU 160 CO 0.43 2.32 0.00 0.61 -1.22 0.00 0.00 177.39 179.53 1nqg n GLY 161 N -0.26 -0.77 3.69 -0.72 0.00 -1.26 -4.43 105.19 101.43 1nqg n GLY 161 Ca 0.32 -1.71 -0.57 0.00 0.00 0.00 0.00 46.02 44.07 1nqg n GLY 161 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nqg n ASP 162 N -1.01 2.23 0.00 1.61 8.00 -1.26 -3.33 116.55 122.78 1nqg n ASP 162 Ca 0.00 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.58 1nqg n ASP 162 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1nqg n ASP 162 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1nqg n LYS 163 N 4.81 0.00 -4.90 -1.24 2.85 -1.26 -4.95 118.16 113.48 1nqg n LYS 163 Ca 0.25 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.18 1nqg n LYS 163 Cb 0.14 -1.75 -0.15 0.00 -0.65 0.00 0.00 35.03 32.62 1nqg n LYS 163 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1nqg s THR 164 N -2.61 2.81 0.18 0.58 2.01 -1.21 -0.53 115.64 116.88 1nqg s THR 164 Ca 0.00 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.34 1nqg s THR 164 Cb 0.00 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1nqg s THR 164 CO 0.00 0.54 -0.20 0.00 -0.69 0.00 0.00 174.62 174.27 1nqg s ARG 165 N 0.23 1.38 0.01 4.92 1.70 0.25 -1.46 118.95 125.99 1nqg s ARG 165 Ca -0.10 -1.47 0.06 0.00 -0.47 0.00 0.00 55.73 53.75 1nqg s ARG 165 Cb -0.16 -1.52 -0.02 0.00 -0.57 0.00 0.00 34.95 32.68 1nqg s ARG 165 CO 0.06 0.31 -0.18 0.08 -1.08 0.00 0.00 175.30 174.49 1nqg s VAL 166 N -1.95 1.46 -0.02 4.99 1.01 0.87 -0.61 120.40 126.15 1nqg s VAL 166 Ca 0.18 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1nqg s VAL 166 Cb -0.06 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1nqg s VAL 166 CO 0.08 0.30 -0.14 -0.89 0.00 0.00 0.00 175.10 174.45 1nqg s THR 167 N -0.59 1.11 -0.00 3.92 2.01 0.83 -1.15 115.64 121.77 1nqg s THR 167 Ca 0.06 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.49 1nqg s THR 167 Cb -0.08 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1nqg s THR 167 CO 0.00 0.32 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.47 1nqg s LEU 168 N -0.17 1.93 -0.22 4.42 1.43 -0.13 -0.64 118.68 125.31 1nqg s LEU 168 Ca 0.02 -0.04 -0.16 0.00 -1.03 0.00 0.00 54.13 52.93 1nqg s LEU 168 Cb -0.07 -0.12 0.06 0.00 0.03 0.00 0.00 46.19 46.10 1nqg s LEU 168 CO 0.00 0.02 0.56 -0.22 0.23 0.00 0.00 176.35 176.94 1nqg s LEU 169 N 0.04 -0.35 0.12 1.79 1.98 0.43 -1.69 118.68 120.99 1nqg s LEU 169 Ca -0.00 1.18 0.08 0.00 -2.89 0.00 0.00 54.13 52.49 1nqg s LEU 169 Cb -0.02 1.91 -0.04 0.00 0.66 0.00 0.00 46.19 48.71 1nqg s LEU 169 CO -0.00 -0.21 -0.18 -0.83 -1.89 0.00 0.00 176.35 173.24 1nqg s GLY 170 N 0.93 1.24 -0.28 7.98 0.00 -0.96 0.06 107.32 116.29 1nqg s GLY 170 Ca -0.05 -1.32 -0.20 0.00 0.00 0.00 0.00 44.72 43.16 1nqg s GLY 170 CO -0.08 -1.35 0.85 -0.35 0.00 0.00 0.00 173.10 172.18 1nqg s ASP 171 N -2.23 -0.68 -0.07 1.64 2.15 -0.92 -1.62 116.67 114.95 1nqg s ASP 171 Ca 0.09 1.16 -0.01 0.00 0.43 0.00 0.00 52.55 54.22 1nqg s ASP 171 Cb -0.08 1.24 0.03 0.00 -0.30 0.00 0.00 42.92 43.81 1nqg s ASP 171 CO 0.05 -0.19 0.01 -0.47 -0.17 0.00 0.00 175.17 174.40 1nqg s TYR 172 N 1.02 0.57 0.00 -5.34 5.04 -0.55 -1.18 117.35 116.91 1nqg s TYR 172 Ca -0.05 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.51 1nqg s TYR 172 Cb -0.05 -0.75 -0.01 0.00 0.35 0.00 0.00 41.96 41.50 1nqg s TYR 172 CO -0.12 -0.31 -0.11 0.00 -1.34 0.00 0.00 175.55 173.68 1nqg s ALA 173 N 2.01 0.88 -0.28 3.97 0.00 -0.80 -2.28 121.76 125.25 1nqg s ALA 173 Ca 0.05 -0.51 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1nqg s ALA 173 Cb -0.12 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 22.88 1nqg s ALA 173 CO -0.05 0.20 0.69 -3.38 0.00 0.00 0.00 175.76 173.22 1nqg s HIS 174 N -0.38 -1.01 -0.45 0.00 -0.00 -0.57 -0.77 115.29 112.11 1nqg s HIS 174 Ca 0.03 2.09 0.06 0.00 -0.00 0.00 0.00 55.06 57.23 1nqg s HIS 174 Cb -0.05 0.57 0.19 0.00 -0.00 0.00 0.00 32.58 33.29 1nqg s HIS 174 CO -0.00 -0.50 0.54 -2.37 -0.00 0.00 0.00 174.74 172.41 1nqg n THR 175 N 4.03 -0.67 -0.96 -5.38 5.66 -0.95 -0.33 114.28 115.69 1nqg n THR 175 Ca -0.19 -2.59 -0.32 0.00 -3.05 0.00 0.00 64.05 57.90 1nqg n THR 175 Cb 0.58 -0.60 0.02 0.00 -1.55 0.00 0.00 70.33 68.78 1nqg n THR 175 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nqg n HIS 176 N 2.55 -3.24 0.00 1.09 1.44 -1.25 -4.42 115.22 111.39 1nqg n HIS 176 Ca 0.23 0.21 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 1nqg n HIS 176 Cb 0.53 -1.33 0.00 0.00 0.12 0.00 0.00 29.99 29.30 1nqg n HIS 176 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1nqg n GLY 177 N 2.45 0.25 0.00 -1.39 0.00 -1.20 -4.56 105.19 100.73 1nqg n GLY 177 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1nqg n GLY 177 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1nqg n TYR 178 N 0.00 0.00 0.00 1.61 0.18 -1.26 -4.69 117.16 112.99 1nqg n TYR 178 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1nqg n TYR 178 Cb 0.00 0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 1nqg n TYR 178 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1nqg n ASP 179 N 0.00 0.00 -3.61 9.48 4.64 -1.22 -4.72 116.55 121.13 1nqg n ASP 179 Ca 0.00 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 53.12 1nqg n ASP 179 Cb 0.15 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.18 1nqg n ASP 179 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1nqg n VAL 180 N -1.56 0.00 0.00 5.18 0.24 -1.26 -4.47 118.33 116.46 1nqg n VAL 180 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nqg n VAL 180 Cb 0.00 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1nqg n VAL 180 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1nqg n VAL 181 N -3.00 0.00 0.00 3.34 0.31 -1.26 -3.36 118.33 114.37 1nqg n VAL 181 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1nqg n VAL 181 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 1nqg n VAL 181 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nqg n ALA 182 N 0.00 0.00 -1.27 3.52 0.00 -0.57 -4.90 120.51 117.29 1nqg n ALA 182 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nqg n ALA 182 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nqg n ALA 182 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nqg n TYR 183 N 0.00 -3.49 0.00 0.00 9.36 -1.26 -3.88 117.16 117.90 1nqg n TYR 183 Ca 0.00 1.88 0.00 0.00 3.32 0.00 0.00 57.90 63.10 1nqg n TYR 183 Cb 0.00 -3.01 0.00 0.00 -0.63 0.00 0.00 39.34 35.70 1nqg n TYR 183 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nqg n GLY 184 N -1.94 0.03 3.91 2.98 0.00 -1.25 -3.81 105.19 105.11 1nqg n GLY 184 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1nqg n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqg s ASN 185 N 0.00 5.06 0.00 1.61 2.20 -1.26 -3.02 114.94 119.54 1nqg s ASN 185 Ca 0.00 0.70 0.00 0.00 -0.94 0.00 0.00 52.86 52.62 1nqg s ASN 185 Cb 0.00 -1.43 0.00 0.00 -2.00 0.00 0.00 41.25 37.82 1nqg s ASN 185 CO 0.00 -1.47 0.00 1.07 -2.94 0.00 0.00 177.10 173.76 1nqg n THR 186 N -2.92 0.00 0.00 0.54 5.66 -1.26 -4.80 114.28 111.50 1nqg n THR 186 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1nqg n THR 186 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1nqg n THR 186 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nqg n GLY 187 N 0.00 2.42 0.04 1.09 0.00 -1.26 -4.12 105.19 103.36 1nqg n GLY 187 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 1nqg n GLY 187 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1nqg h THR 188 N 0.00 0.00 -0.39 2.61 1.35 -1.97 -3.49 112.91 111.02 1nqg h THR 188 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1nqg h THR 188 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1nqg h THR 188 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1nqg n GLN 189 N -3.66 1.80 0.00 4.72 3.00 -1.26 -5.10 117.38 116.87 1nqg n GLN 189 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1nqg n GLN 189 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.34 1nqg n GLN 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nqg n ALA 190 N -3.00 0.00 0.00 -1.58 0.00 -1.26 -4.95 120.51 109.72 1nqg n ALA 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nqg n ALA 190 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nqg n ALA 190 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nqg n GLN 191 N 0.00 0.00 -0.60 0.00 1.13 -1.26 -4.90 117.38 111.74 1nqg n GLN 191 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1nqg n GLN 191 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.35 1nqg n GLN 191 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1nqg n THR 192 N 0.00 0.00 -3.65 5.09 -1.04 -1.26 -4.58 114.28 108.83 1nqg n THR 192 Ca 0.00 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 1nqg n THR 192 Cb 0.00 -0.12 -0.08 0.00 -1.82 0.00 0.00 70.33 68.31 1nqg n THR 192 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1nqg s ASP 193 N 1.85 -0.85 -0.09 8.00 3.84 -1.26 -5.10 116.67 123.05 1nqg s ASP 193 Ca 0.01 1.38 -0.30 0.00 -0.00 0.00 0.00 52.55 53.64 1nqg s ASP 193 Cb 0.00 1.26 -0.04 0.00 -1.38 0.00 0.00 42.92 42.77 1nqg s ASP 193 CO 0.01 -0.23 1.41 0.20 -0.00 0.00 0.00 175.17 176.55 1nqg s ASN 194 N 1.60 6.85 -0.68 2.11 0.01 -1.26 -3.38 114.94 120.18 1nqg s ASN 194 Ca -0.10 1.95 -0.20 0.00 -0.71 0.00 0.00 52.86 53.80 1nqg s ASN 194 Cb -0.06 -2.54 0.10 0.00 0.41 0.00 0.00 41.25 39.16 1nqg s ASN 194 CO -0.18 -0.79 0.87 -1.81 -1.51 0.00 0.00 177.10 173.67 1nqg s ASP 195 N 2.35 6.27 1.21 -1.22 -0.00 -1.26 -3.98 116.67 120.04 1nqg s ASP 195 Ca 0.62 -1.42 -0.16 0.00 -0.00 0.00 0.00 52.55 51.59 1nqg s ASP 195 Cb -0.27 -2.36 0.24 0.00 -0.00 0.00 0.00 42.92 40.54 1nqg s ASP 195 CO 0.22 -1.21 0.84 0.61 -0.00 0.00 0.00 175.17 175.63 1nqg n GLY 196 N 5.28 -2.81 3.63 0.21 0.00 -1.26 -3.25 105.19 106.99 1nqg n GLY 196 Ca -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 1nqg n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqg s PHE 197 N -2.49 -1.03 -0.07 1.61 5.99 -1.26 -2.45 117.98 118.28 1nqg s PHE 197 Ca 0.55 1.96 0.04 0.00 0.00 0.00 0.00 56.93 59.49 1nqg s PHE 197 Cb -0.06 0.62 -0.00 0.00 0.00 0.00 0.00 43.02 43.58 1nqg s PHE 197 CO 0.43 -0.51 -0.20 -1.17 -0.00 0.00 0.00 175.22 173.77 1nqg s LEU 198 N 1.94 1.95 -0.06 6.12 1.98 -0.75 -2.24 118.68 127.63 1nqg s LEU 198 Ca -0.08 -0.44 0.01 0.00 -2.89 0.00 0.00 54.13 50.73 1nqg s LEU 198 Cb -0.06 -1.16 0.02 0.00 0.66 0.00 0.00 46.19 45.64 1nqg s LEU 198 CO -0.19 0.15 -0.08 -0.55 -1.89 0.00 0.00 176.35 173.80 1nqg s SER 199 N 0.20 1.38 -0.07 3.68 0.15 0.05 -1.45 113.70 117.63 1nqg s SER 199 Ca -0.10 -0.21 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1nqg s SER 199 Cb -0.15 -0.62 0.01 0.00 -1.71 0.00 0.00 66.02 63.55 1nqg s SER 199 CO 0.05 -0.03 -0.13 -0.54 1.20 0.00 0.00 173.24 173.79 1nqg s LYS 200 N 0.90 1.74 0.10 5.44 1.02 -1.14 -1.91 119.74 125.88 1nqg s LYS 200 Ca -0.11 -0.43 0.07 0.00 0.02 0.00 0.00 55.97 55.52 1nqg s LYS 200 Cb -0.15 -1.43 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 1nqg s LYS 200 CO 0.01 0.04 -0.18 0.99 -0.92 0.00 0.00 175.35 175.28 1nqg s THR 201 N 0.63 1.53 -0.06 2.17 2.01 -0.32 -1.09 115.64 120.50 1nqg s THR 201 Ca -0.14 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.29 1nqg s THR 201 Cb -0.16 -1.45 0.03 0.00 0.01 0.00 0.00 72.50 70.93 1nqg s THR 201 CO 0.04 -0.16 0.15 -0.22 -0.69 0.00 0.00 174.62 173.75 1nqg s LEU 202 N -1.97 1.05 -0.10 4.42 2.96 -0.46 -2.15 118.68 122.42 1nqg s LEU 202 Ca 0.05 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.19 1nqg s LEU 202 Cb -0.09 0.46 0.03 0.00 0.50 0.00 0.00 46.19 47.09 1nqg s LEU 202 CO 0.04 -0.10 0.27 -0.47 -1.32 0.00 0.00 176.35 174.76 1nqg s TYR 203 N 0.63 -0.31 -0.12 5.38 5.04 0.11 -1.85 117.35 126.23 1nqg s TYR 203 Ca -0.05 0.75 -0.11 0.00 -2.44 0.00 0.00 57.07 55.23 1nqg s TYR 203 Cb -0.06 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.38 1nqg s TYR 203 CO -0.03 -0.17 0.32 0.20 -1.34 0.00 0.00 175.55 174.53 1nqg s GLY 204 N 0.43 -0.24 0.01 8.97 0.00 -0.31 -0.43 107.32 115.75 1nqg s GLY 204 Ca -0.02 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.64 1nqg s GLY 204 CO -0.02 0.84 -0.04 0.00 0.00 0.00 0.00 173.10 173.88 1nqg s ALA 205 N 0.28 0.30 -0.23 3.20 0.00 0.19 -1.70 121.76 123.80 1nqg s ALA 205 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1nqg s ALA 205 Cb -0.03 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1nqg s ALA 205 CO -0.01 0.02 -0.03 -1.17 0.00 0.00 0.00 175.76 174.58 1nqg s LEU 206 N -0.49 2.27 -0.10 0.00 2.96 0.48 -0.12 118.68 123.67 1nqg s LEU 206 Ca -0.03 -1.12 -0.02 0.00 -0.22 0.00 0.00 54.13 52.74 1nqg s LEU 206 Cb -0.04 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 1nqg s LEU 206 CO -0.00 -0.26 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.15 1nqg s GLU 207 N 1.50 3.17 -0.07 1.98 8.01 0.22 -1.06 118.70 132.45 1nqg s GLU 207 Ca -0.04 -0.44 -0.03 0.00 0.01 0.00 0.00 54.97 54.47 1nqg s GLU 207 Cb -0.18 -2.82 0.04 0.00 -4.31 0.00 0.00 34.13 26.85 1nqg s GLU 207 CO -0.07 0.57 0.12 -1.58 0.01 0.00 0.00 175.26 174.32 1nqg s HIS 208 N -0.53 -0.09 -0.35 1.61 2.46 0.24 0.87 115.29 119.50 1nqg s HIS 208 Ca 0.09 0.48 -0.16 0.00 0.47 0.00 0.00 55.06 55.94 1nqg s HIS 208 Cb -0.12 -0.34 -0.01 0.00 -0.13 0.00 0.00 32.58 31.99 1nqg s HIS 208 CO 0.02 -0.24 0.39 -0.80 -2.47 0.00 0.00 174.74 171.64 1nqg s ASN 209 N 2.22 6.19 0.33 9.88 0.01 0.32 0.22 114.94 134.11 1nqg s ASN 209 Ca 0.03 -0.27 0.13 0.00 -0.71 0.00 0.00 52.86 52.05 1nqg s ASN 209 Cb -0.12 -2.21 0.56 0.00 0.41 0.00 0.00 41.25 39.89 1nqg s ASN 209 CO -0.05 -0.38 1.71 -0.26 -1.51 0.00 0.00 177.10 176.61 1nqg h PHE 210 N 8.50 0.00 -2.77 2.20 -1.00 -1.18 -3.44 116.94 119.25 1nqg h PHE 210 Ca -0.29 0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.56 1nqg h PHE 210 Cb 1.14 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.67 1nqg h PHE 210 CO 0.68 0.48 0.41 0.95 -1.61 0.00 0.00 178.31 179.22 1nqg s THR 211 N -3.80 0.00 -1.31 -1.55 -4.23 -1.04 -4.97 115.64 98.74 1nqg s THR 211 Ca -0.02 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 1nqg s THR 211 Cb 0.13 -2.73 0.04 0.00 1.34 0.00 0.00 72.50 71.28 1nqg s THR 211 CO 0.73 0.00 1.87 -0.90 -0.54 0.00 0.00 174.62 175.78 1nqg n ASP 212 N -1.18 4.48 0.00 3.99 3.85 -1.26 -2.86 116.55 123.57 1nqg n ASP 212 Ca -0.06 -2.88 0.00 0.00 -0.71 0.00 0.00 54.79 51.14 1nqg n ASP 212 Cb 0.60 -1.71 0.00 0.00 -1.35 0.00 0.00 41.12 38.66 1nqg n ASP 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nqg n ALA 213 N 8.39 0.00 -2.65 2.12 0.00 -1.26 -5.00 120.51 122.11 1nqg n ALA 213 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.56 1nqg n ALA 213 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1nqg n ALA 213 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1nqg s TRP 214 N 0.00 3.31 0.21 0.00 0.52 -1.13 -0.62 118.94 121.23 1nqg s TRP 214 Ca 0.00 0.34 0.03 0.00 0.02 0.00 0.00 56.10 56.49 1nqg s TRP 214 Cb 0.00 -2.39 -0.05 0.00 -1.15 0.00 0.00 33.47 29.88 1nqg s TRP 214 CO 0.00 -0.02 -0.02 -1.12 0.02 0.00 0.00 176.95 175.82 1nqg s SER 215 N 1.21 1.75 0.07 2.95 0.01 0.25 -0.62 113.70 119.32 1nqg s SER 215 Ca 0.11 -1.18 -0.14 0.00 1.31 0.00 0.00 55.95 56.05 1nqg s SER 215 Cb -0.14 0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.13 1nqg s SER 215 CO 0.07 -0.49 0.33 -0.83 0.41 0.00 0.00 173.24 172.73 1nqg s GLY 216 N -3.27 -0.15 0.13 3.44 0.00 0.60 -0.11 107.32 107.96 1nqg s GLY 216 Ca 0.26 -0.04 -0.17 0.00 0.00 0.00 0.00 44.72 44.76 1nqg s GLY 216 CO 0.07 -0.27 0.44 -0.11 0.00 0.00 0.00 173.10 173.23 1nqg s PHE 217 N -3.01 -0.27 -0.10 1.90 -0.12 -0.40 0.82 117.98 116.80 1nqg s PHE 217 Ca -0.02 -0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 56.81 1nqg s PHE 217 Cb 0.01 0.32 0.05 0.00 -0.63 0.00 0.00 43.02 42.77 1nqg s PHE 217 CO -0.06 -0.73 0.18 0.08 -0.05 0.00 0.00 175.22 174.63 1nqg s VAL 218 N -3.78 -0.28 0.27 -2.49 1.01 -0.23 -1.27 120.40 113.63 1nqg s VAL 218 Ca 0.02 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.41 1nqg s VAL 218 Cb 0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1nqg s VAL 218 CO -0.12 0.12 -0.12 -0.13 0.00 0.00 0.00 175.10 174.85 1nqg s ARG 219 N 2.31 1.57 -0.25 2.72 0.52 -0.19 -0.38 118.95 125.25 1nqg s ARG 219 Ca 0.03 -1.76 -0.13 0.00 -0.52 0.00 0.00 55.73 53.35 1nqg s ARG 219 Cb -0.12 -1.38 0.09 0.00 0.52 0.00 0.00 34.95 34.05 1nqg s ARG 219 CO -0.06 0.16 0.60 0.20 0.02 0.00 0.00 175.30 176.21 1nqg s GLY 220 N -3.46 -0.57 0.15 -3.53 0.00 -0.69 -1.83 107.32 97.39 1nqg s GLY 220 Ca 0.28 2.15 -0.20 0.00 0.00 0.00 0.00 44.72 46.96 1nqg s GLY 220 CO 0.12 2.39 0.51 -2.52 0.00 0.00 0.00 173.10 173.60 1nqg s TYR 221 N 1.92 -0.38 -0.10 1.90 -0.85 -1.09 -1.16 117.35 117.58 1nqg s TYR 221 Ca -0.08 0.12 -0.31 0.00 -0.52 0.00 0.00 57.07 56.27 1nqg s TYR 221 Cb -0.08 0.43 0.12 0.00 0.38 0.00 0.00 41.96 42.81 1nqg s TYR 221 CO -0.18 -0.79 1.03 0.20 -1.52 0.00 0.00 175.55 174.29 1nqg s GLY 222 N -2.78 -0.36 0.02 5.49 0.00 -0.77 -0.51 107.32 108.42 1nqg s GLY 222 Ca 0.02 1.44 -0.12 0.00 0.00 0.00 0.00 44.72 46.06 1nqg s GLY 222 CO -0.12 0.54 0.25 -2.52 0.00 0.00 0.00 173.10 171.25 1nqg s TYR 223 N -2.49 -0.05 -0.30 1.90 -0.85 -0.61 -1.36 117.35 113.60 1nqg s TYR 223 Ca 0.05 -0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.57 1nqg s TYR 223 Cb -0.01 0.04 0.09 0.00 0.38 0.00 0.00 41.96 42.45 1nqg s TYR 223 CO -0.06 -0.43 0.02 0.34 -1.52 0.00 0.00 175.55 173.90 1nqg s ASP 224 N -1.83 4.40 0.21 -0.18 -1.08 -0.25 -1.91 116.67 116.03 1nqg s ASP 224 Ca -0.08 -1.77 0.07 0.00 -0.52 0.00 0.00 52.55 50.25 1nqg s ASP 224 Cb -0.03 -1.38 -0.04 0.00 -1.46 0.00 0.00 42.92 40.01 1nqg s ASP 224 CO -0.01 -0.33 0.09 0.20 0.52 0.00 0.00 175.17 175.64 1nqg s ASN 225 N 1.16 5.16 -0.34 -0.34 0.02 0.12 -2.90 114.94 117.82 1nqg s ASN 225 Ca 0.05 -0.31 0.05 0.00 -1.02 0.00 0.00 52.86 51.62 1nqg s ASN 225 Cb -0.19 -1.22 0.17 0.00 0.02 0.00 0.00 41.25 40.03 1nqg s ASN 225 CO -0.11 0.04 0.51 0.00 0.02 0.00 0.00 177.10 177.56 1nqg s ARG 226 N -3.34 0.61 -0.33 -0.60 3.03 -0.53 0.09 118.95 117.88 1nqg s ARG 226 Ca 0.31 -0.07 0.01 0.00 2.03 0.00 0.00 55.73 58.00 1nqg s ARG 226 Cb -0.09 -0.13 0.08 0.00 -1.03 0.00 0.00 34.95 33.78 1nqg s ARG 226 CO 0.22 -1.11 0.05 0.95 -1.13 0.00 0.00 175.30 174.27 1nqg s THR 227 N 2.20 2.65 0.44 4.99 -4.23 -1.01 -1.80 115.64 118.88 1nqg s THR 227 Ca 0.13 -1.95 -0.25 0.00 -1.18 0.00 0.00 61.69 58.44 1nqg s THR 227 Cb -0.10 -2.76 -0.08 0.00 1.34 0.00 0.00 72.50 70.90 1nqg s THR 227 CO -0.18 -0.41 1.39 0.20 -0.54 0.00 0.00 174.62 175.08 1nqg s ASN 228 N 1.24 5.97 0.00 3.99 0.01 -1.03 -3.74 114.94 121.39 1nqg s ASN 228 Ca 0.03 2.84 0.00 0.00 -0.71 0.00 0.00 52.86 55.02 1nqg s ASN 228 Cb -0.20 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.81 1nqg s ASN 228 CO -0.05 -1.10 0.00 0.00 -1.51 0.00 0.00 177.10 174.44 1nqg n TYR 229 N -0.14 0.00 -3.57 2.20 -0.00 -0.31 -4.25 117.16 111.09 1nqg n TYR 229 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.81 1nqg n TYR 229 Cb 0.42 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.70 1nqg n TYR 229 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1nqg s ASP 230 N 0.79 -0.55 -1.53 9.48 1.01 -1.26 -4.52 116.67 120.09 1nqg s ASP 230 Ca 0.00 0.73 -0.11 0.00 0.71 0.00 0.00 52.55 53.88 1nqg s ASP 230 Cb 0.00 0.63 0.08 0.00 1.01 0.00 0.00 42.92 44.64 1nqg s ASP 230 CO 0.00 -0.42 0.81 0.00 0.21 0.00 0.00 175.17 175.78 1nqg n ALA 231 N 1.26 -1.48 0.00 5.23 0.00 -1.26 -4.83 120.51 119.42 1nqg n ALA 231 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1nqg n ALA 231 Cb 0.57 -3.45 0.00 0.00 0.00 0.00 0.00 19.45 16.57 1nqg n ALA 231 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nqg n ASP 241 N -2.84 0.00 -4.34 0.00 8.00 -1.26 -4.41 116.55 111.69 1nqg n ASP 241 Ca -0.05 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 1nqg n ASP 241 Cb 0.56 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.52 1nqg n ASP 241 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nqg s THR 242 N 0.00 3.08 -0.24 -3.53 -4.23 -1.26 -1.17 115.64 108.29 1nqg s THR 242 Ca 0.00 -0.64 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1nqg s THR 242 Cb 0.00 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.49 1nqg s THR 242 CO 0.00 0.50 0.06 -0.60 -0.54 0.00 0.00 174.62 174.04 1nqg s ARG 243 N 0.66 3.65 -0.18 3.99 3.52 -1.25 -2.20 118.95 127.15 1nqg s ARG 243 Ca -0.06 -0.48 -0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1nqg s ARG 243 Cb -0.15 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1nqg s ARG 243 CO 0.02 -0.15 -0.04 0.21 -0.81 0.00 0.00 175.30 174.53 1nqg s LYS 244 N 1.50 3.58 -0.07 5.12 2.20 0.80 -2.40 119.74 130.47 1nqg s LYS 244 Ca 0.06 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1nqg s LYS 244 Cb -0.15 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.22 1nqg s LYS 244 CO 0.03 0.09 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.75 1nqg s LEU 245 N 0.75 1.93 0.00 5.43 0.20 0.11 -0.01 118.68 127.09 1nqg s LEU 245 Ca -0.02 -0.43 0.08 0.00 0.69 0.00 0.00 54.13 54.45 1nqg s LEU 245 Cb -0.14 -1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1nqg s LEU 245 CO 0.02 0.14 -0.23 -0.31 -0.29 0.00 0.00 176.35 175.67 1nqg s TYR 246 N 0.28 2.08 -0.04 5.38 1.51 -0.13 0.13 117.35 126.56 1nqg s TYR 246 Ca -0.12 -0.39 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 1nqg s TYR 246 Cb -0.15 -1.31 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1nqg s TYR 246 CO 0.05 0.02 0.15 0.45 -1.11 0.00 0.00 175.55 175.10 1nqg s SER 247 N -0.78 -0.11 0.02 2.29 0.15 -0.80 -0.16 113.70 114.31 1nqg s SER 247 Ca 0.09 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.84 1nqg s SER 247 Cb -0.09 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1nqg s SER 247 CO 0.00 -0.12 0.17 0.00 1.20 0.00 0.00 173.24 174.49 1nqg s GLN 248 N -0.26 0.58 0.04 5.44 -2.07 -0.91 -1.57 119.66 120.92 1nqg s GLN 248 Ca -0.03 -0.49 -0.02 0.00 -1.82 0.00 0.00 55.36 52.99 1nqg s GLN 248 Cb -0.03 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 1nqg s GLN 248 CO 0.00 -0.15 0.02 -1.12 -1.32 0.00 0.00 175.29 172.72 1nqg s SER 249 N -1.68 0.34 -0.08 12.60 0.01 0.33 0.05 113.70 125.28 1nqg s SER 249 Ca -0.11 -0.78 -0.06 0.00 1.31 0.00 0.00 55.95 56.32 1nqg s SER 249 Cb -0.05 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.41 1nqg s SER 249 CO -0.00 -0.53 0.21 0.26 0.41 0.00 0.00 173.24 173.58 1nqg s TRP 250 N -3.17 -0.25 0.11 2.43 0.52 1.27 -2.68 118.94 117.18 1nqg s TRP 250 Ca -0.00 0.61 0.03 0.00 0.02 0.00 0.00 56.10 56.76 1nqg s TRP 250 Cb 0.02 0.04 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 1nqg s TRP 250 CO -0.07 -0.16 -0.08 -0.51 0.02 0.00 0.00 176.95 176.15 1nqg s ASP 251 N 0.63 1.38 -0.24 2.95 -0.00 -0.76 0.13 116.67 120.75 1nqg s ASP 251 Ca -0.04 -0.97 -0.26 0.00 -0.00 0.00 0.00 52.55 51.28 1nqg s ASP 251 Cb -0.06 0.05 0.10 0.00 -0.00 0.00 0.00 42.92 43.01 1nqg s ASP 251 CO -0.03 -0.39 0.90 0.00 -0.00 0.00 0.00 175.17 175.65 1nqg s ALA 252 N -3.29 -1.89 0.30 5.23 0.00 -0.76 -1.02 121.76 120.34 1nqg s ALA 252 Ca 0.12 1.82 -0.17 0.00 0.00 0.00 0.00 51.96 53.73 1nqg s ALA 252 Cb 0.03 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1nqg s ALA 252 CO -0.02 -0.29 0.68 0.20 0.00 0.00 0.00 175.76 176.33 1nqg s GLY 253 N -0.07 0.21 0.12 0.00 0.00 -0.40 -0.97 107.32 106.21 1nqg s GLY 253 Ca 0.00 -0.58 0.10 0.00 0.00 0.00 0.00 44.72 44.24 1nqg s GLY 253 CO -0.01 -0.29 -0.25 1.08 0.00 0.00 0.00 173.10 173.64 1nqg s LEU 254 N -2.99 2.31 -0.01 0.66 1.43 -0.52 -1.28 118.68 118.28 1nqg s LEU 254 Ca 0.15 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1nqg s LEU 254 Cb -0.05 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.09 1nqg s LEU 254 CO 0.09 0.14 0.01 -0.13 0.23 0.00 0.00 176.35 176.68 1nqg s ARG 255 N -1.97 0.04 -0.17 1.70 0.52 0.84 -2.35 118.95 117.56 1nqg s ARG 255 Ca 0.11 0.06 -0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1nqg s ARG 255 Cb -0.10 -0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.21 1nqg s ARG 255 CO 0.05 -0.06 -0.10 -0.47 0.02 0.00 0.00 175.30 174.74 1nqg s TYR 256 N 0.43 2.87 -0.45 -0.53 5.04 -0.91 0.84 117.35 124.64 1nqg s TYR 256 Ca -0.04 -0.89 0.03 0.00 -2.44 0.00 0.00 57.07 53.74 1nqg s TYR 256 Cb -0.06 -1.96 0.13 0.00 0.35 0.00 0.00 41.96 40.42 1nqg s TYR 256 CO -0.01 -0.42 0.21 1.21 -1.34 0.00 0.00 175.55 175.20 1nqg s ASN 257 N 0.92 4.09 0.26 4.32 2.47 0.21 -1.67 114.94 125.54 1nqg s ASN 257 Ca -0.02 -2.65 0.03 0.00 0.42 0.00 0.00 52.86 50.64 1nqg s ASN 257 Cb -0.15 -1.35 0.04 0.00 -1.45 0.00 0.00 41.25 38.35 1nqg s ASN 257 CO -0.00 -0.28 0.33 0.61 -3.72 0.00 0.00 177.10 174.03 1nqg n GLY 258 N 3.56 1.83 0.29 1.21 0.00 -0.30 -4.72 105.19 107.06 1nqg n GLY 258 Ca 0.06 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1nqg n GLY 258 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nqg h GLU 259 N 0.00 1.02 0.00 1.61 3.07 -1.99 -3.33 114.58 114.95 1nqg h GLU 259 Ca -0.11 -0.31 -0.23 0.00 -0.50 0.00 0.00 59.36 58.22 1nqg h GLU 259 Cb 0.49 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.26 1nqg h GLU 259 CO 0.15 0.99 -1.85 -0.11 -1.40 0.00 0.00 179.01 176.79 1nqg n LEU 260 N -4.25 0.00 -4.24 1.33 7.94 -1.26 -4.87 117.00 111.65 1nqg n LEU 260 Ca 0.03 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.60 1nqg n LEU 260 Cb 0.32 0.31 -0.15 0.00 0.53 0.00 0.00 43.42 44.42 1nqg n LEU 260 CO 0.43 0.31 -0.49 -0.63 -1.11 0.00 0.00 177.39 175.90 1nqg s ILE 261 N -2.30 2.56 0.12 1.96 1.01 -1.25 0.02 121.20 123.31 1nqg s ILE 261 Ca -0.06 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 59.89 1nqg s ILE 261 Cb 0.04 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 1nqg s ILE 261 CO 0.51 0.52 -0.26 -0.54 0.00 0.00 0.00 174.94 175.17 1nqg s LYS 262 N 0.86 1.49 -0.13 2.79 3.01 0.88 -1.15 119.74 127.49 1nqg s LYS 262 Ca -0.05 -1.30 -0.15 0.00 -1.01 0.00 0.00 55.97 53.46 1nqg s LYS 262 Cb -0.15 -1.94 0.04 0.00 -1.01 0.00 0.00 37.83 34.77 1nqg s LYS 262 CO -0.01 0.46 0.41 0.45 0.51 0.00 0.00 175.35 177.17 1nqg s SER 263 N -1.99 -0.40 -0.00 2.83 0.15 -0.67 0.96 113.70 114.57 1nqg s SER 263 Ca 0.14 0.72 -0.03 0.00 0.70 0.00 0.00 55.95 57.48 1nqg s SER 263 Cb -0.10 0.76 -0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1nqg s SER 263 CO 0.06 -0.21 0.06 0.00 1.20 0.00 0.00 173.24 174.35 1nqg s GLN 264 N -0.06 0.30 -0.04 5.44 -2.07 -0.21 -2.14 119.66 120.88 1nqg s GLN 264 Ca -0.02 -0.33 -0.02 0.00 -1.82 0.00 0.00 55.36 53.17 1nqg s GLN 264 Cb -0.03 0.12 0.03 0.00 -1.09 0.00 0.00 33.01 32.04 1nqg s GLN 264 CO 0.01 -0.06 0.06 -1.17 -1.32 0.00 0.00 175.29 172.81 1nqg s LEU 265 N -0.99 0.36 0.01 2.60 1.98 -0.99 -1.51 118.68 120.15 1nqg s LEU 265 Ca -0.11 0.08 -0.00 0.00 -2.89 0.00 0.00 54.13 51.21 1nqg s LEU 265 Cb -0.06 -0.10 -0.01 0.00 0.66 0.00 0.00 46.19 46.68 1nqg s LEU 265 CO 0.00 -0.22 -0.01 -0.63 -1.89 0.00 0.00 176.35 173.60 1nqg s ILE 266 N 1.90 0.07 0.02 6.68 1.01 -0.85 -1.44 121.20 128.59 1nqg s ILE 266 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1nqg s ILE 266 Cb -0.12 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 1nqg s ILE 266 CO -0.03 -0.33 -0.05 -0.89 0.00 0.00 0.00 174.94 173.64 1nqg s THR 267 N -0.97 0.34 -0.01 2.92 2.01 -0.15 -2.22 115.64 117.57 1nqg s THR 267 Ca -0.11 -0.63 -0.24 0.00 0.31 0.00 0.00 61.69 61.03 1nqg s THR 267 Cb -0.07 -0.38 0.05 0.00 0.01 0.00 0.00 72.50 72.12 1nqg s THR 267 CO -0.01 -0.19 0.52 -0.55 -0.69 0.00 0.00 174.62 173.70 1nqg s SER 268 N -0.88 -0.45 -0.02 3.53 0.15 0.30 -1.83 113.70 114.51 1nqg s SER 268 Ca -0.06 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1nqg s SER 268 Cb -0.06 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 1nqg s SER 268 CO -0.00 -0.61 0.01 -0.47 1.20 0.00 0.00 173.24 173.37 1nqg s TYR 269 N -1.69 0.17 0.04 3.44 5.04 0.12 -0.31 117.35 124.17 1nqg s TYR 269 Ca -0.10 0.04 0.04 0.00 -2.44 0.00 0.00 57.07 54.62 1nqg s TYR 269 Cb -0.02 -0.28 -0.02 0.00 0.35 0.00 0.00 41.96 41.99 1nqg s TYR 269 CO 0.04 -0.09 -0.12 -1.12 -1.34 0.00 0.00 175.55 172.93 1nqg s SER 270 N 0.81 1.40 -0.13 4.32 0.01 -1.11 0.39 113.70 119.39 1nqg s SER 270 Ca -0.07 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.66 1nqg s SER 270 Cb -0.11 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.12 1nqg s SER 270 CO -0.02 -0.04 0.07 -2.28 0.41 0.00 0.00 173.24 171.38 1nqg s HIS 271 N -1.00 0.22 0.10 2.43 2.46 0.11 -2.08 115.29 117.53 1nqg s HIS 271 Ca -0.02 -0.17 0.05 0.00 0.47 0.00 0.00 55.06 55.40 1nqg s HIS 271 Cb -0.08 -0.65 -0.04 0.00 -0.13 0.00 0.00 32.58 31.67 1nqg s HIS 271 CO 0.01 -0.41 -0.02 -1.54 -2.47 0.00 0.00 174.74 170.31 1nqg s SER 272 N 2.12 4.87 -0.21 9.88 1.04 -0.50 -2.14 113.70 128.77 1nqg s SER 272 Ca 0.03 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 1nqg s SER 272 Cb -0.15 -1.11 0.07 0.00 0.10 0.00 0.00 66.02 64.93 1nqg s SER 272 CO -0.07 0.17 0.06 -0.54 0.98 0.00 0.00 173.24 173.84 1nqg s LYS 273 N -2.34 0.50 -0.31 4.02 1.02 0.78 -2.50 119.74 120.91 1nqg s LYS 273 Ca 0.25 -0.42 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 1nqg s LYS 273 Cb -0.11 -1.97 0.07 0.00 -0.52 0.00 0.00 37.83 35.29 1nqg s LYS 273 CO 0.17 -0.71 0.01 0.34 -0.92 0.00 0.00 175.35 174.24 1nqg s ASP 274 N 1.91 4.82 -0.01 2.83 2.15 0.24 -0.95 116.67 127.66 1nqg s ASP 274 Ca 0.01 -1.51 -0.01 0.00 0.43 0.00 0.00 52.55 51.47 1nqg s ASP 274 Cb -0.17 -1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 40.73 1nqg s ASP 274 CO -0.12 -0.30 0.11 -0.31 -0.17 0.00 0.00 175.17 174.38 1nqg s TYR 275 N 1.16 3.35 -0.07 -5.34 1.51 0.98 -0.33 117.35 118.62 1nqg s TYR 275 Ca -0.02 0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.29 1nqg s TYR 275 Cb -0.20 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1nqg s TYR 275 CO -0.03 0.58 -0.05 -0.80 -1.11 0.00 0.00 175.55 174.13 1nqg s ASN 276 N -1.79 1.46 0.29 2.29 0.01 -1.22 -0.14 114.94 115.85 1nqg s ASN 276 Ca 0.24 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1nqg s ASN 276 Cb -0.12 -0.58 0.00 0.00 0.41 0.00 0.00 41.25 40.96 1nqg s ASN 276 CO 0.15 -0.08 0.00 0.00 -1.51 0.00 0.00 177.10 175.66 1nqg n TYR 277 N 4.43 -1.19 0.00 2.20 -0.00 -0.93 -3.65 117.16 118.02 1nqg n TYR 277 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1nqg n TYR 277 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 1nqg n TYR 277 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1nqg n ASP 278 N -0.87 0.00 0.39 9.48 3.85 -1.26 -4.24 116.55 123.90 1nqg n ASP 278 Ca 0.00 0.00 -0.18 0.00 -0.71 0.00 0.00 54.79 53.90 1nqg n ASP 278 Cb 0.00 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.68 1nqg n ASP 278 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.20 175.54 1nqg h PRO 279 N 0.00 -0.95 0.00 0.11 0.11 -1.99 -3.47 132.00 125.80 1nqg h PRO 279 Ca 0.00 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1nqg h PRO 279 Cb 0.00 0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1nqg h PRO 279 CO 0.00 -0.61 0.00 -2.39 -0.21 0.00 0.00 178.00 174.79 1nqg n HIS 280 N -5.48 0.00 0.00 0.65 1.44 -1.26 -4.91 115.22 105.66 1nqg n HIS 280 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 1nqg n HIS 280 Cb 0.40 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.51 1nqg n HIS 280 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1nqg n ASP 285 N 0.00 0.00 -4.49 4.39 5.68 -1.26 -4.90 116.55 115.96 1nqg n ASP 285 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 1nqg n ASP 285 Cb 0.00 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1nqg n ASP 285 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nqg s SER 286 N -4.00 5.41 0.00 -1.12 1.04 -1.26 -4.69 113.70 109.08 1nqg s SER 286 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1nqg s SER 286 Cb 0.00 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.14 1nqg s SER 286 CO 0.00 -0.03 0.00 -1.20 0.98 0.00 0.00 173.24 172.99 1nqg n SER 287 N 4.94 0.00 -3.65 7.02 7.64 -1.26 -5.04 113.62 123.27 1nqg n SER 287 Ca -0.16 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.70 1nqg n SER 287 Cb 0.52 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 1nqg n SER 287 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nqg s ALA 288 N -0.96 -2.26 -0.41 -0.43 0.00 -1.26 -4.47 121.76 111.96 1nqg s ALA 288 Ca 0.00 1.76 -0.09 0.00 0.00 0.00 0.00 51.96 53.63 1nqg s ALA 288 Cb 0.00 -1.77 0.08 0.00 0.00 0.00 0.00 23.12 21.42 1nqg s ALA 288 CO 0.00 -0.15 0.25 0.95 0.00 0.00 0.00 175.76 176.81 1nqg s THR 289 N 0.23 4.17 -0.06 0.00 -4.23 -1.24 -4.96 115.64 109.56 1nqg s THR 289 Ca 0.04 -1.40 -0.21 0.00 -1.18 0.00 0.00 61.69 58.95 1nqg s THR 289 Cb -0.05 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.20 1nqg s THR 289 CO -0.14 -0.49 0.59 -0.22 -0.54 0.00 0.00 174.62 173.82 1nqg s LEU 290 N 1.41 4.35 -0.05 4.79 2.96 -1.26 -3.41 118.68 127.47 1nqg s LEU 290 Ca 0.03 1.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 1nqg s LEU 290 Cb -0.23 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1nqg s LEU 290 CO 0.02 0.01 0.03 -1.81 -1.32 0.00 0.00 176.35 173.28 1nqg s ASP 291 N 0.32 5.40 -0.07 3.68 1.11 0.56 -4.43 116.67 123.24 1nqg s ASP 291 Ca 0.31 0.13 -0.03 0.00 0.18 0.00 0.00 52.55 53.14 1nqg s ASP 291 Cb -0.17 -1.52 0.04 0.00 1.07 0.00 0.00 42.92 42.34 1nqg s ASP 291 CO 0.15 0.33 0.14 -0.70 1.18 0.00 0.00 175.17 176.27 1nqg s GLU 292 N -1.28 0.03 0.10 8.23 2.12 -1.26 -0.59 118.70 126.06 1nqg s GLU 292 Ca 0.17 0.46 0.07 0.00 0.36 0.00 0.00 54.97 56.03 1nqg s GLU 292 Cb -0.12 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 1nqg s GLU 292 CO 0.07 -0.26 -0.17 1.41 -0.54 0.00 0.00 175.26 175.78 1nqg s MET 293 N 1.84 1.01 -0.07 4.30 1.75 -1.04 -2.53 119.30 124.57 1nqg s MET 293 Ca -0.01 -1.14 -0.02 0.00 -1.25 0.00 0.00 55.69 53.27 1nqg s MET 293 Cb -0.12 -1.06 0.03 0.00 2.84 0.00 0.00 34.83 36.52 1nqg s MET 293 CO -0.05 0.23 0.04 0.15 -0.65 0.00 0.00 175.02 174.73 1nqg s LYS 294 N -2.15 0.24 -0.07 4.11 1.02 -1.03 -1.40 119.74 120.46 1nqg s LYS 294 Ca 0.05 0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.29 1nqg s LYS 294 Cb -0.08 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.37 1nqg s LYS 294 CO 0.03 -0.35 -0.20 -1.14 -0.92 0.00 0.00 175.35 172.78 1nqg s GLN 295 N 2.07 2.71 -0.12 1.68 0.74 -0.88 -0.97 119.66 124.90 1nqg s GLN 295 Ca 0.05 -0.80 0.03 0.00 0.05 0.00 0.00 55.36 54.68 1nqg s GLN 295 Cb -0.13 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.67 1nqg s GLN 295 CO -0.04 0.41 -0.21 0.71 -0.55 0.00 0.00 175.29 175.61 1nqg s TYR 296 N -0.21 2.43 -0.06 1.67 1.51 0.98 -2.75 117.35 120.92 1nqg s TYR 296 Ca -0.01 -1.13 0.02 0.00 -1.01 0.00 0.00 57.07 54.94 1nqg s TYR 296 Cb -0.13 -1.66 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1nqg s TYR 296 CO 0.03 -0.51 -0.12 0.99 -1.11 0.00 0.00 175.55 174.83 1nqg s THR 297 N 0.71 1.13 -0.03 -0.71 2.01 0.57 -0.41 115.64 118.92 1nqg s THR 297 Ca -0.11 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1nqg s THR 297 Cb -0.16 -1.03 0.02 0.00 0.01 0.00 0.00 72.50 71.34 1nqg s THR 297 CO 0.01 0.35 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.58 1nqg s VAL 298 N 0.58 0.33 0.02 3.82 1.01 -0.72 -0.54 120.40 124.89 1nqg s VAL 298 Ca -0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 1nqg s VAL 298 Cb -0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 1nqg s VAL 298 CO 0.03 0.16 0.01 -1.10 0.00 0.00 0.00 175.10 174.20 1nqg s GLN 299 N 0.74 0.36 -0.02 2.72 -0.21 -0.94 0.28 119.66 122.59 1nqg s GLN 299 Ca -0.08 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.73 1nqg s GLN 299 Cb -0.12 0.13 0.02 0.00 1.00 0.00 0.00 33.01 34.05 1nqg s GLN 299 CO -0.01 -0.07 0.02 -0.46 -2.12 0.00 0.00 175.29 172.66 1nqg s TRP 300 N -1.49 0.03 -0.09 0.91 -0.00 0.16 -2.01 118.94 116.46 1nqg s TRP 300 Ca -0.15 0.09 -0.07 0.00 -0.00 0.00 0.00 56.10 55.97 1nqg s TRP 300 Cb -0.09 -0.18 0.03 0.00 -0.00 0.00 0.00 33.47 33.22 1nqg s TRP 300 CO -0.01 -0.07 0.23 0.00 -0.00 0.00 0.00 176.95 177.11 1nqg s ALA 301 N 0.80 -0.57 0.15 5.86 0.00 -0.57 0.52 121.76 127.95 1nqg s ALA 301 Ca -0.07 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.72 1nqg s ALA 301 Cb -0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1nqg s ALA 301 CO -0.02 -0.13 -0.19 -0.80 0.00 0.00 0.00 175.76 174.61 1nqg s ASN 302 N 0.43 2.69 -0.10 0.00 -0.87 0.18 -1.04 114.94 116.22 1nqg s ASN 302 Ca -0.03 -0.82 -0.08 0.00 -1.57 0.00 0.00 52.86 50.36 1nqg s ASN 302 Cb -0.04 -0.16 0.03 0.00 -0.02 0.00 0.00 41.25 41.06 1nqg s ASN 302 CO -0.02 -0.01 0.26 0.21 -2.57 0.00 0.00 177.10 174.97 1nqg s ASN 303 N -2.50 -0.28 -0.03 -1.22 3.84 0.27 -2.15 114.94 112.88 1nqg s ASN 303 Ca 0.14 0.54 0.03 0.00 0.21 0.00 0.00 52.86 53.78 1nqg s ASN 303 Cb -0.07 0.50 -0.00 0.00 -0.55 0.00 0.00 41.25 41.13 1nqg s ASN 303 CO 0.06 -0.12 -0.12 0.68 -2.79 0.00 0.00 177.10 174.81 1nqg s VAL 304 N 0.52 1.03 -0.11 -5.21 -7.23 -0.57 0.30 120.40 109.13 1nqg s VAL 304 Ca -0.03 -0.52 -0.29 0.00 -1.81 0.00 0.00 61.98 59.33 1nqg s VAL 304 Cb -0.05 -0.89 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1nqg s VAL 304 CO -0.03 0.30 1.48 -0.63 -0.31 0.00 0.00 175.10 175.92 1nqg s ILE 305 N -0.01 3.89 -0.27 -0.62 1.01 0.10 -2.32 121.20 122.99 1nqg s ILE 305 Ca -0.01 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.70 1nqg s ILE 305 Cb -0.08 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.77 1nqg s ILE 305 CO 0.01 -0.11 0.07 -0.69 0.00 0.00 0.00 174.94 174.21 1nqg s VAL 306 N 3.88 0.80 0.00 2.92 1.01 -0.22 -4.95 120.40 123.85 1nqg s VAL 306 Ca 0.65 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1nqg s VAL 306 Cb -0.28 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1nqg s VAL 306 CO 0.23 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1nqg n GLY 307 N 4.90 3.50 2.79 4.51 0.00 -1.26 -2.08 105.19 117.55 1nqg n GLY 307 Ca -0.05 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1nqg n GLY 307 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nqg n HIS 308 N 13.96 2.99 -3.85 1.61 -0.00 -1.26 -4.88 115.22 123.79 1nqg n HIS 308 Ca 0.00 -2.54 0.01 0.00 -0.00 0.00 0.00 57.72 55.19 1nqg n HIS 308 Cb 0.00 -1.08 0.01 0.00 -0.00 0.00 0.00 29.99 28.92 1nqg n HIS 308 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nqg n GLY 309 N -0.36 0.58 3.63 -1.41 0.00 -0.88 -0.42 105.19 106.33 1nqg n GLY 309 Ca 0.49 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 1nqg n GLY 309 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqg s SER 310 N -2.28 -0.21 -0.01 1.61 1.04 0.30 -1.05 113.70 113.11 1nqg s SER 310 Ca 0.13 -0.66 -0.10 0.00 0.48 0.00 0.00 55.95 55.80 1nqg s SER 310 Cb -0.01 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.74 1nqg s SER 310 CO 0.00 -1.16 0.20 -0.51 0.98 0.00 0.00 173.24 172.75 1nqg s ILE 311 N -3.93 0.07 0.14 -1.02 2.07 -0.98 -1.70 121.20 115.85 1nqg s ILE 311 Ca 0.14 -0.58 -0.19 0.00 -1.41 0.00 0.00 60.65 58.61 1nqg s ILE 311 Cb -0.02 -0.49 0.05 0.00 0.13 0.00 0.00 42.46 42.13 1nqg s ILE 311 CO 0.04 -0.32 0.49 -0.83 -1.91 0.00 0.00 174.94 172.40 1nqg s GLY 312 N -1.28 -0.39 0.02 1.50 0.00 0.24 -1.51 107.32 105.89 1nqg s GLY 312 Ca -0.14 0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.47 1nqg s GLY 312 CO 0.02 -0.13 0.57 0.00 0.00 0.00 0.00 173.10 173.57 1nqg s ALA 313 N -3.79 -1.48 0.15 3.20 0.00 -0.92 0.82 121.76 119.74 1nqg s ALA 313 Ca 0.03 0.83 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 1nqg s ALA 313 Cb 0.01 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.45 1nqg s ALA 313 CO -0.12 -0.46 0.52 0.20 0.00 0.00 0.00 175.76 175.90 1nqg s GLY 314 N -1.71 -0.42 -0.01 0.00 0.00 -0.87 0.47 107.32 104.77 1nqg s GLY 314 Ca -0.07 0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.90 1nqg s GLY 314 CO 0.02 -0.07 -0.17 0.14 0.00 0.00 0.00 173.10 173.02 1nqg s VAL 315 N -3.79 2.83 -0.20 1.40 1.01 0.18 -2.58 120.40 119.25 1nqg s VAL 315 Ca 0.03 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1nqg s VAL 315 Cb 0.00 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.34 1nqg s VAL 315 CO -0.11 0.48 0.18 -0.62 0.00 0.00 0.00 175.10 175.03 1nqg s ASP 316 N -1.02 1.79 -0.09 3.32 -1.08 -0.37 0.39 116.67 119.62 1nqg s ASP 316 Ca 0.13 -0.43 0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1nqg s ASP 316 Cb -0.10 0.17 -0.03 0.00 -1.46 0.00 0.00 42.92 41.50 1nqg s ASP 316 CO 0.02 -0.34 -0.09 0.86 0.52 0.00 0.00 175.17 176.15 1nqg s TRP 317 N 2.26 2.89 0.02 -5.34 -0.00 0.14 -1.80 118.94 117.12 1nqg s TRP 317 Ca 0.06 -0.19 0.05 0.00 -0.00 0.00 0.00 56.10 56.02 1nqg s TRP 317 Cb -0.16 -1.77 -0.02 0.00 -0.00 0.00 0.00 33.47 31.52 1nqg s TRP 317 CO -0.14 0.14 -0.15 -1.14 -0.00 0.00 0.00 176.95 175.66 1nqg s GLN 318 N -0.36 1.07 -0.06 5.86 0.74 0.38 -1.76 119.66 125.52 1nqg s GLN 318 Ca 0.05 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.76 1nqg s GLN 318 Cb -0.12 -1.08 0.02 0.00 1.10 0.00 0.00 33.01 32.93 1nqg s GLN 318 CO 0.02 0.28 -0.04 0.21 -0.55 0.00 0.00 175.29 175.22 1nqg s LYS 319 N -0.87 0.88 -0.11 1.67 2.20 0.45 -1.44 119.74 122.51 1nqg s LYS 319 Ca 0.04 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 1nqg s LYS 319 Cb -0.07 -1.01 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 1nqg s LYS 319 CO 0.01 -0.18 -0.16 -0.65 -0.36 0.00 0.00 175.35 174.01 1nqg s GLN 320 N 1.38 2.28 -0.08 4.03 -0.21 -0.92 0.33 119.66 126.46 1nqg s GLN 320 Ca -0.03 -0.59 0.02 0.00 0.02 0.00 0.00 55.36 54.78 1nqg s GLN 320 Cb -0.13 -1.91 0.01 0.00 1.00 0.00 0.00 33.01 31.98 1nqg s GLN 320 CO -0.03 -0.03 -0.14 0.95 -2.12 0.00 0.00 175.29 173.92 1nqg s THR 321 N 0.90 1.34 0.14 -0.19 -4.23 -0.14 -0.04 115.64 113.40 1nqg s THR 321 Ca -0.08 -0.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 1nqg s THR 321 Cb -0.15 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 1nqg s THR 321 CO -0.00 0.40 0.08 0.42 -0.54 0.00 0.00 174.62 174.98 1nqg s THR 322 N 0.73 4.29 0.45 3.99 -4.23 0.15 -2.46 115.64 118.57 1nqg s THR 322 Ca -0.13 -1.06 -0.21 0.00 -1.18 0.00 0.00 61.69 59.12 1nqg s THR 322 Cb -0.16 -3.13 -0.10 0.00 1.34 0.00 0.00 72.50 70.45 1nqg s THR 322 CO 0.03 -0.02 0.98 -0.89 -0.54 0.00 0.00 174.62 174.17 1nqg s THR 323 N -1.60 4.22 0.53 3.99 2.01 -1.05 -2.17 115.64 121.58 1nqg s THR 323 Ca 0.29 1.38 -0.19 0.00 0.31 0.00 0.00 61.69 63.48 1nqg s THR 323 Cb -0.11 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 1nqg s THR 323 CO 0.21 -0.31 0.54 -2.65 -0.69 0.00 0.00 174.62 171.73 1nqg n PRO 324 N -0.75 0.56 0.00 4.92 -0.02 -1.26 -0.88 135.00 137.57 1nqg n PRO 324 Ca 0.08 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1nqg n PRO 324 Cb 0.54 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1nqg n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqg n GLY 325 N 1.76 2.84 3.67 -1.23 0.00 -0.15 -4.91 105.19 107.17 1nqg n GLY 325 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1nqg n GLY 325 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqg s THR 326 N -2.72 4.47 0.00 2.61 2.01 -0.06 -1.90 115.64 120.05 1nqg s THR 326 Ca 0.00 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1nqg s THR 326 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1nqg s THR 326 CO 0.00 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1nqg n GLY 327 N 3.37 0.57 3.60 4.40 0.00 -1.26 -1.96 105.19 113.90 1nqg n GLY 327 Ca 0.12 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 1nqg n GLY 327 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nqg n TYR 328 N -2.74 -2.18 -5.11 1.61 4.02 -0.80 -4.78 117.16 107.18 1nqg n TYR 328 Ca 0.00 0.91 -0.29 0.00 -0.01 0.00 0.00 57.90 58.51 1nqg n TYR 328 Cb 0.00 -4.73 -0.16 0.00 -0.02 0.00 0.00 39.34 34.43 1nqg n TYR 328 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1nqg s VAL 329 N -3.47 1.82 0.02 -0.72 1.01 -0.83 -4.61 120.40 113.63 1nqg s VAL 329 Ca 0.13 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1nqg s VAL 329 Cb -0.06 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1nqg s VAL 329 CO 0.77 0.51 1.10 -0.33 0.00 0.00 0.00 175.10 177.15 1nqg h GLU 330 N 6.06 -0.06 -6.43 2.72 5.08 -1.88 -0.38 114.58 119.69 1nqg h GLU 330 Ca -0.33 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.61 1nqg h GLU 330 Cb 1.17 0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.45 1nqg h GLU 330 CO 0.47 -0.04 -0.26 -0.51 -1.00 0.00 0.00 179.01 177.67 1nqg s ASP 331 N -3.16 5.61 0.50 1.42 -0.00 -1.26 -3.26 116.67 116.52 1nqg s ASP 331 Ca -0.02 -0.45 -0.20 0.00 -0.00 0.00 0.00 52.55 51.87 1nqg s ASP 331 Cb 0.02 -0.63 -0.08 0.00 -0.00 0.00 0.00 42.92 42.23 1nqg s ASP 331 CO 0.11 -0.77 1.07 -0.83 -0.00 0.00 0.00 175.17 174.74 1nqg s GLY 332 N -4.35 2.55 0.11 0.21 0.00 -1.26 -4.41 107.32 100.18 1nqg s GLY 332 Ca 0.55 0.68 0.05 0.00 0.00 0.00 0.00 44.72 46.00 1nqg s GLY 332 CO 0.33 1.01 -0.13 -0.19 0.00 0.00 0.00 173.10 174.11 1nqg s TYR 333 N -1.91 1.33 -0.21 1.90 2.02 -0.92 -4.93 117.35 114.62 1nqg s TYR 333 Ca 0.69 -0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 56.80 1nqg s TYR 333 Cb -0.19 -0.70 0.07 0.00 -0.40 0.00 0.00 41.96 40.74 1nqg s TYR 333 CO 0.22 0.11 0.05 0.34 -1.57 0.00 0.00 175.55 174.70 1nqg s ASP 334 N -2.37 3.05 -0.15 2.29 -1.08 -1.26 0.34 116.67 117.50 1nqg s ASP 334 Ca 0.07 -0.93 -0.03 0.00 -0.52 0.00 0.00 52.55 51.14 1nqg s ASP 334 Cb -0.05 -0.61 -0.03 0.00 -1.46 0.00 0.00 42.92 40.78 1nqg s ASP 334 CO 0.02 -0.33 -0.04 -1.10 0.52 0.00 0.00 175.17 174.25 1nqg s GLN 335 N 1.85 3.59 0.16 4.34 -0.21 0.94 -4.99 119.66 125.34 1nqg s GLN 335 Ca 0.01 -0.53 0.10 0.00 0.02 0.00 0.00 55.36 54.96 1nqg s GLN 335 Cb -0.17 -2.88 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 1nqg s GLN 335 CO -0.11 0.28 -0.22 1.03 -2.12 0.00 0.00 175.29 174.15 1nqg s ARG 336 N 0.26 1.33 -0.18 2.91 0.52 -1.26 -2.17 118.95 120.36 1nqg s ARG 336 Ca -0.03 -1.38 -0.10 0.00 -0.52 0.00 0.00 55.73 53.69 1nqg s ARG 336 Cb -0.14 -1.57 0.06 0.00 0.52 0.00 0.00 34.95 33.82 1nqg s ARG 336 CO 0.03 0.34 0.43 1.21 0.02 0.00 0.00 175.30 177.33 1nqg s ASN 337 N -2.43 -0.54 -0.06 0.23 3.84 -0.52 -0.72 114.94 114.73 1nqg s ASN 337 Ca 0.15 0.93 0.00 0.00 0.21 0.00 0.00 52.86 54.15 1nqg s ASN 337 Cb -0.08 0.81 0.02 0.00 -0.55 0.00 0.00 41.25 41.46 1nqg s ASN 337 CO 0.07 -0.19 -0.04 -0.89 -2.79 0.00 0.00 177.10 173.25 1nqg s THR 338 N 1.34 0.60 0.17 -5.21 2.01 -0.69 -0.47 115.64 113.39 1nqg s THR 338 Ca -0.09 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 61.89 1nqg s THR 338 Cb -0.08 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1nqg s THR 338 CO -0.12 0.26 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.05 1nqg s GLY 339 N 1.21 1.45 -0.03 4.40 0.00 -0.75 0.90 107.32 114.50 1nqg s GLY 339 Ca -0.06 -1.53 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 1nqg s GLY 339 CO -0.02 -1.58 0.02 -1.50 0.00 0.00 0.00 173.10 170.02 1nqg s ILE 340 N -2.06 0.05 0.15 0.90 2.07 0.31 -1.23 121.20 121.38 1nqg s ILE 340 Ca 0.17 0.20 0.01 0.00 -1.41 0.00 0.00 60.65 59.62 1nqg s ILE 340 Cb -0.06 -0.20 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 1nqg s ILE 340 CO 0.07 0.14 0.01 -0.72 -1.91 0.00 0.00 174.94 172.53 1nqg s TYR 341 N 1.30 1.03 -0.10 3.50 -0.85 -1.07 -0.29 117.35 120.88 1nqg s TYR 341 Ca -0.06 -1.08 0.01 0.00 -0.52 0.00 0.00 57.07 55.42 1nqg s TYR 341 Cb -0.13 -0.59 0.02 0.00 0.38 0.00 0.00 41.96 41.63 1nqg s TYR 341 CO -0.03 -0.32 -0.13 -1.17 -1.52 0.00 0.00 175.55 172.38 1nqg s LEU 342 N -3.11 1.62 0.17 -3.49 2.96 0.16 -2.06 118.68 114.94 1nqg s LEU 342 Ca 0.22 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.83 1nqg s LEU 342 Cb 0.07 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.71 1nqg s LEU 342 CO 0.02 -0.01 -0.12 0.42 -1.32 0.00 0.00 176.35 175.34 1nqg s THR 343 N 1.07 3.06 -0.10 3.68 -4.23 0.24 -1.82 115.64 117.54 1nqg s THR 343 Ca -0.06 -1.68 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1nqg s THR 343 Cb -0.15 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.22 1nqg s THR 343 CO -0.02 -0.09 0.28 -0.83 -0.54 0.00 0.00 174.62 173.42 1nqg s GLY 344 N -2.73 -0.21 -0.03 3.99 0.00 -0.42 0.79 107.32 108.70 1nqg s GLY 344 Ca 0.24 0.77 -0.00 0.00 0.00 0.00 0.00 44.72 45.73 1nqg s GLY 344 CO 0.14 0.66 0.03 -2.27 0.00 0.00 0.00 173.10 171.66 1nqg s LEU 345 N 0.10 0.90 0.01 0.66 0.20 -0.69 -0.25 118.68 119.62 1nqg s LEU 345 Ca -0.00 0.03 0.01 0.00 0.69 0.00 0.00 54.13 54.85 1nqg s LEU 345 Cb -0.02 -0.13 -0.01 0.00 -0.43 0.00 0.00 46.19 45.60 1nqg s LEU 345 CO 0.00 -0.15 -0.03 -1.58 -0.29 0.00 0.00 176.35 174.31 1nqg s GLN 346 N 1.30 0.22 -0.14 1.98 2.00 -0.27 -0.54 119.66 124.22 1nqg s GLN 346 Ca -0.06 -0.26 -0.00 0.00 -2.00 0.00 0.00 55.36 53.04 1nqg s GLN 346 Cb -0.13 -0.10 -0.01 0.00 0.80 0.00 0.00 33.01 33.57 1nqg s GLN 346 CO -0.03 0.02 -0.13 -0.65 -0.50 0.00 0.00 175.29 174.00 1nqg s GLN 347 N -0.53 3.36 -0.15 1.67 -0.21 0.44 -1.90 119.66 122.34 1nqg s GLN 347 Ca -0.04 -0.69 -0.02 0.00 0.02 0.00 0.00 55.36 54.62 1nqg s GLN 347 Cb -0.04 -2.65 0.05 0.00 1.00 0.00 0.00 33.01 31.37 1nqg s GLN 347 CO -0.00 0.16 0.02 0.54 -2.12 0.00 0.00 175.29 173.89 1nqg s VAL 348 N 0.48 0.49 0.00 1.09 0.11 -0.27 -4.75 120.40 117.55 1nqg s VAL 348 Ca -0.09 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1nqg s VAL 348 Cb -0.16 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1nqg s VAL 348 CO 0.04 -0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 1nqg n GLY 349 N 5.08 3.25 0.12 6.54 0.00 -1.26 -0.24 105.19 118.68 1nqg n GLY 349 Ca -0.08 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.85 1nqg n GLY 349 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nqg n ASP 350 N 3.36 0.40 -4.84 1.61 8.00 -1.26 -4.87 116.55 118.95 1nqg n ASP 350 Ca 0.00 -0.94 -0.27 0.00 0.71 0.00 0.00 54.79 54.30 1nqg n ASP 350 Cb 0.00 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 1nqg n ASP 350 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nqg s PHE 351 N -2.15 3.25 0.05 1.24 0.40 0.67 -1.87 117.98 119.56 1nqg s PHE 351 Ca 0.40 0.03 0.07 0.00 -0.60 0.00 0.00 56.93 56.84 1nqg s PHE 351 Cb 0.21 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 1nqg s PHE 351 CO 0.39 0.52 -0.20 0.99 0.70 0.00 0.00 175.22 177.62 1nqg s THR 352 N -1.71 1.63 -0.02 0.64 2.01 0.21 -1.11 115.64 117.30 1nqg s THR 352 Ca 0.32 -1.21 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1nqg s THR 352 Cb -0.11 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1nqg s THR 352 CO 0.25 0.18 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.94 1nqg s PHE 353 N -0.83 0.60 0.02 4.92 0.40 -0.80 -1.52 117.98 120.77 1nqg s PHE 353 Ca 0.07 -0.12 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 1nqg s PHE 353 Cb -0.09 -0.44 -0.01 0.00 0.51 0.00 0.00 43.02 43.00 1nqg s PHE 353 CO 0.02 -0.06 0.10 -2.00 0.70 0.00 0.00 175.22 173.98 1nqg s GLU 354 N 0.16 0.49 -0.06 0.44 2.12 -0.61 -1.12 118.70 120.13 1nqg s GLU 354 Ca -0.02 -0.54 -0.31 0.00 0.36 0.00 0.00 54.97 54.46 1nqg s GLU 354 Cb -0.06 0.19 0.11 0.00 0.26 0.00 0.00 34.13 34.64 1nqg s GLU 354 CO -0.00 -0.11 1.07 0.20 -0.54 0.00 0.00 175.26 175.87 1nqg s GLY 355 N -1.62 -0.37 0.09 -1.50 0.00 0.66 -1.96 107.32 102.62 1nqg s GLY 355 Ca -0.12 1.10 -0.17 0.00 0.00 0.00 0.00 44.72 45.53 1nqg s GLY 355 CO -0.01 0.35 0.40 0.00 0.00 0.00 0.00 173.10 173.84 1nqg s ALA 356 N -2.79 -0.95 -0.09 3.20 0.00 -0.97 -1.30 121.76 118.86 1nqg s ALA 356 Ca 0.09 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 1nqg s ALA 356 Cb -0.00 0.54 0.03 0.00 0.00 0.00 0.00 23.12 23.68 1nqg s ALA 356 CO -0.05 -0.56 0.28 0.00 0.00 0.00 0.00 175.76 175.42 1nqg s ALA 357 N -3.23 -0.69 0.04 0.00 0.00 -0.76 -2.38 121.76 114.75 1nqg s ALA 357 Ca -0.01 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1nqg s ALA 357 Cb 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 1nqg s ALA 357 CO -0.08 -0.15 -0.09 0.50 0.00 0.00 0.00 175.76 175.94 1nqg s ARG 358 N -0.14 0.57 -0.05 0.00 3.52 0.11 -0.67 118.95 122.29 1nqg s ARG 358 Ca -0.03 -0.72 0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1nqg s ARG 358 Cb -0.03 -0.40 -0.00 0.00 -1.56 0.00 0.00 34.95 32.96 1nqg s ARG 358 CO 0.01 0.08 -0.19 0.45 -0.81 0.00 0.00 175.30 174.84 1nqg s SER 359 N -1.43 2.40 -0.06 -2.12 0.15 0.60 -0.56 113.70 112.69 1nqg s SER 359 Ca -0.07 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.24 1nqg s SER 359 Cb -0.09 -0.76 -0.01 0.00 -1.71 0.00 0.00 66.02 63.45 1nqg s SER 359 CO 0.01 0.16 -0.25 -1.81 1.20 0.00 0.00 173.24 172.55 1nqg s ASP 360 N 0.10 3.02 -0.37 5.45 1.11 -0.34 0.11 116.67 125.74 1nqg s ASP 360 Ca -0.07 -0.50 -0.01 0.00 0.18 0.00 0.00 52.55 52.16 1nqg s ASP 360 Cb -0.13 -0.81 0.10 0.00 1.07 0.00 0.00 42.92 43.15 1nqg s ASP 360 CO 0.03 0.24 0.12 -0.62 1.18 0.00 0.00 175.17 176.13 1nqg s ASP 361 N -0.17 5.04 -0.15 0.27 2.15 0.26 -1.16 116.67 122.91 1nqg s ASP 361 Ca -0.03 -1.94 -0.14 0.00 0.43 0.00 0.00 52.55 50.87 1nqg s ASP 361 Cb -0.13 -1.75 -0.05 0.00 -0.30 0.00 0.00 42.92 40.69 1nqg s ASP 361 CO 0.03 -0.45 0.30 0.21 -0.17 0.00 0.00 175.17 175.10 1nqg s ASN 362 N 1.46 6.46 0.48 -0.34 2.47 0.68 -1.70 114.94 124.45 1nqg s ASN 362 Ca 0.07 0.54 0.22 0.00 0.42 0.00 0.00 52.86 54.11 1nqg s ASN 362 Cb -0.21 -2.19 1.21 0.00 -1.45 0.00 0.00 41.25 38.61 1nqg s ASN 362 CO -0.05 0.11 1.64 0.77 -3.72 0.00 0.00 177.10 175.86 1nqg h SER 363 N 6.53 0.00 0.00 -4.21 4.64 -1.21 -0.11 113.55 119.18 1nqg h SER 363 Ca -0.42 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.57 1nqg h SER 363 Cb 1.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 1nqg h SER 363 CO 0.74 0.00 -2.13 1.67 -0.87 0.00 0.00 176.83 176.24 1nqg n GLN 364 N -2.47 0.45 -0.00 4.77 0.00 -1.26 -4.79 117.38 114.08 1nqg n GLN 364 Ca -0.01 0.17 0.06 0.00 -0.00 0.00 0.00 57.00 57.21 1nqg n GLN 364 Cb 0.31 -1.28 -0.07 0.00 0.00 0.00 0.00 30.24 29.20 1nqg n GLN 364 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.06 179.03 1nqg n PHE 365 N -3.64 0.00 0.00 3.69 1.16 -1.03 -4.98 117.46 112.66 1nqg n PHE 365 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.20 1nqg n PHE 365 Cb 0.81 -0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.67 1nqg n PHE 365 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1nqg n GLY 366 N 1.30 0.89 3.81 4.97 0.00 -0.08 -4.94 105.19 111.14 1nqg n GLY 366 Ca 0.02 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 1nqg n GLY 366 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqg s ARG 367 N 0.00 3.84 -0.20 1.61 3.52 -1.26 0.25 118.95 126.70 1nqg s ARG 367 Ca 0.00 0.03 -0.12 0.00 -0.13 0.00 0.00 55.73 55.51 1nqg s ARG 367 Cb 0.00 -3.28 0.06 0.00 -1.56 0.00 0.00 34.95 30.17 1nqg s ARG 367 CO 0.00 0.57 0.50 -1.58 -0.81 0.00 0.00 175.30 173.98 1nqg s HIS 368 N -0.51 -0.74 0.30 5.12 2.46 -0.31 -4.98 115.29 116.63 1nqg s HIS 368 Ca 0.16 1.55 0.08 0.00 0.47 0.00 0.00 55.06 57.33 1nqg s HIS 368 Cb -0.13 0.37 -0.04 0.00 -0.13 0.00 0.00 32.58 32.66 1nqg s HIS 368 CO 0.05 -0.39 0.16 0.20 -2.47 0.00 0.00 174.74 172.29 1nqg s GLY 369 N 1.38 1.69 0.08 1.59 0.00 -1.26 -1.20 107.32 109.60 1nqg s GLY 369 Ca -0.09 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 42.87 1nqg s GLY 369 CO -0.14 -1.62 0.30 -1.08 0.00 0.00 0.00 173.10 170.56 1nqg s THR 370 N -2.29 0.10 -0.06 0.90 -1.32 0.27 -4.96 115.64 108.27 1nqg s THR 370 Ca 0.36 -0.79 -0.30 0.00 -1.21 0.00 0.00 61.69 59.74 1nqg s THR 370 Cb -0.06 -1.11 0.08 0.00 -1.51 0.00 0.00 72.50 69.90 1nqg s THR 370 CO 0.24 -0.44 0.75 -1.66 -2.21 0.00 0.00 174.62 171.30 1nqg s TRP 371 N -3.26 -0.58 0.02 9.09 1.48 -1.26 0.07 118.94 124.50 1nqg s TRP 371 Ca -0.00 0.96 0.01 0.00 -1.06 0.00 0.00 56.10 56.01 1nqg s TRP 371 Cb 0.02 0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 32.74 1nqg s TRP 371 CO -0.08 -0.56 -0.05 1.14 -4.06 0.00 0.00 176.95 173.34 1nqg s GLN 372 N -1.34 0.40 0.05 3.25 -2.07 -1.00 -0.92 119.66 118.03 1nqg s GLN 372 Ca -0.08 -0.52 0.02 0.00 -1.82 0.00 0.00 55.36 52.96 1nqg s GLN 372 Cb -0.00 -0.20 -0.03 0.00 -1.09 0.00 0.00 33.01 31.69 1nqg s GLN 372 CO 0.07 0.04 -0.08 0.99 -1.32 0.00 0.00 175.29 174.99 1nqg s THR 373 N -0.97 0.57 -0.07 3.63 2.01 -0.19 -2.30 115.64 118.33 1nqg s THR 373 Ca -0.08 -1.26 -0.07 0.00 0.31 0.00 0.00 61.69 60.60 1nqg s THR 373 Cb -0.07 -0.83 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1nqg s THR 373 CO -0.00 -0.49 0.19 -0.44 -0.69 0.00 0.00 174.62 173.19 1nqg s SER 374 N -1.89 -0.18 -0.05 3.53 0.01 -0.83 -1.40 113.70 112.89 1nqg s SER 374 Ca -0.05 0.33 0.06 0.00 1.31 0.00 0.00 55.95 57.60 1nqg s SER 374 Cb -0.07 0.37 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 1nqg s SER 374 CO -0.01 -0.09 -0.24 0.00 0.41 0.00 0.00 173.24 173.31 1nqg s ALA 375 N -0.03 2.07 0.08 1.44 0.00 -0.22 -1.57 121.76 123.54 1nqg s ALA 375 Ca -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.01 1nqg s ALA 375 Cb -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1nqg s ALA 375 CO 0.00 0.41 -0.13 0.20 0.00 0.00 0.00 175.76 176.25 1nqg s GLY 376 N -0.21 1.73 -0.24 0.00 0.00 -0.58 -1.60 107.32 106.43 1nqg s GLY 376 Ca -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.50 1nqg s GLY 376 CO 0.03 -1.18 -0.12 0.86 0.00 0.00 0.00 173.10 172.68 1nqg s TRP 377 N -1.13 3.07 -1.00 1.90 -0.00 -0.81 0.65 118.94 121.61 1nqg s TRP 377 Ca 0.19 -2.12 -0.19 0.00 -0.00 0.00 0.00 56.10 53.98 1nqg s TRP 377 Cb -0.11 -1.89 0.11 0.00 -0.00 0.00 0.00 33.47 31.59 1nqg s TRP 377 CO 0.11 -0.85 1.27 -2.00 -0.00 0.00 0.00 176.95 175.48 1nqg s GLU 378 N 1.17 3.68 0.00 5.86 2.12 -0.78 -1.51 118.70 129.24 1nqg s GLU 378 Ca -0.06 -1.73 0.30 0.00 0.36 0.00 0.00 54.97 53.84 1nqg s GLU 378 Cb -0.18 -5.07 1.40 0.00 0.26 0.00 0.00 34.13 30.54 1nqg s GLU 378 CO -0.07 -1.90 1.97 1.97 -0.54 0.00 0.00 175.26 176.70 1nqg n PHE 379 N 7.07 0.00 -3.64 5.30 1.16 -0.98 -4.67 117.46 121.70 1nqg n PHE 379 Ca 0.29 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.78 1nqg n PHE 379 Cb 0.49 -0.22 -0.07 0.00 -1.61 0.00 0.00 39.48 38.06 1nqg n PHE 379 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1nqg s ILE 380 N -2.50 0.00 0.24 1.97 1.01 -1.22 -5.06 121.20 115.64 1nqg s ILE 380 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 1nqg s ILE 380 Cb 0.20 -1.00 -0.15 0.00 0.01 0.00 0.00 42.46 41.52 1nqg s ILE 380 CO 0.47 0.00 1.02 1.21 0.00 0.00 0.00 174.94 177.64 1nqg n GLU 381 N 3.84 1.18 -0.76 2.79 2.13 -1.26 -0.46 120.64 128.11 1nqg n GLU 381 Ca -0.18 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1nqg n GLU 381 Cb 0.58 -1.80 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1nqg n GLU 381 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nqg n GLY 382 N 1.56 1.16 3.01 8.31 0.00 -1.26 -4.98 105.19 112.98 1nqg n GLY 382 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1nqg n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqg s TYR 383 N -3.63 0.89 -0.08 1.61 1.51 0.40 -1.06 117.35 116.99 1nqg s TYR 383 Ca 0.00 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1nqg s TYR 383 Cb 0.00 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1nqg s TYR 383 CO 0.00 -0.07 0.17 0.50 -1.11 0.00 0.00 175.55 175.04 1nqg s ARG 384 N 0.04 0.08 -0.30 -0.62 3.52 0.49 -2.33 118.95 119.84 1nqg s ARG 384 Ca -0.01 0.47 -0.16 0.00 -0.13 0.00 0.00 55.73 55.91 1nqg s ARG 384 Cb -0.07 -0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.10 1nqg s ARG 384 CO 0.00 -0.22 0.43 0.12 -0.81 0.00 0.00 175.30 174.81 1nqg s PHE 385 N 1.65 3.23 -0.20 5.12 5.36 -0.57 -1.55 117.98 131.02 1nqg s PHE 385 Ca -0.04 0.31 -0.01 0.00 -0.96 0.00 0.00 56.93 56.23 1nqg s PHE 385 Cb -0.12 -2.70 0.01 0.00 -0.34 0.00 0.00 43.02 39.87 1nqg s PHE 385 CO -0.06 -0.35 -0.13 0.42 -1.46 0.00 0.00 175.22 173.64 1nqg s ILE 386 N 2.18 2.66 -0.17 3.12 1.01 -0.04 -1.93 121.20 128.04 1nqg s ILE 386 Ca 0.16 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 1nqg s ILE 386 Cb -0.16 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1nqg s ILE 386 CO 0.11 0.49 0.02 0.00 0.00 0.00 0.00 174.94 175.55 1nqg s ALA 387 N 1.35 3.23 0.00 9.38 0.00 -0.62 -0.07 121.76 135.02 1nqg s ALA 387 Ca 0.05 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1nqg s ALA 387 Cb -0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 23.12 21.23 1nqg s ALA 387 CO -0.08 0.22 -0.09 -1.12 0.00 0.00 0.00 175.76 174.69 1nqg s SER 388 N 0.29 1.02 -0.01 0.00 0.01 0.10 -1.05 113.70 114.06 1nqg s SER 388 Ca 0.00 -0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1nqg s SER 388 Cb -0.13 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1nqg s SER 388 CO 0.01 0.07 -0.03 -0.47 0.41 0.00 0.00 173.24 173.24 1nqg s TYR 389 N -0.33 0.32 -0.02 2.43 5.04 -0.49 -1.57 117.35 122.72 1nqg s TYR 389 Ca 0.02 -0.05 -0.23 0.00 -2.44 0.00 0.00 57.07 54.37 1nqg s TYR 389 Cb -0.04 -0.23 0.05 0.00 0.35 0.00 0.00 41.96 42.08 1nqg s TYR 389 CO -0.00 -0.02 0.49 0.20 -1.34 0.00 0.00 175.55 174.88 1nqg s GLY 390 N 0.08 -0.37 -0.02 8.97 0.00 -0.53 -1.02 107.32 114.42 1nqg s GLY 390 Ca -0.00 0.78 0.07 0.00 0.00 0.00 0.00 44.72 45.57 1nqg s GLY 390 CO -0.00 0.50 -0.24 -1.59 0.00 0.00 0.00 173.10 171.76 1nqg s THR 391 N -1.41 1.90 0.33 0.90 2.01 -0.09 -1.47 115.64 117.80 1nqg s THR 391 Ca -0.11 -1.02 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 1nqg s THR 391 Cb -0.02 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.90 1nqg s THR 391 CO 0.06 0.54 0.47 -0.94 -0.69 0.00 0.00 174.62 174.06 1nqg s SER 392 N -0.49 0.73 0.23 3.53 1.04 0.59 -4.08 113.70 115.25 1nqg s SER 392 Ca 0.07 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.03 1nqg s SER 392 Cb -0.10 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 1nqg s SER 392 CO -0.00 -1.28 0.32 -0.72 0.98 0.00 0.00 173.24 172.55 1nqg s TYR 393 N -3.19 0.74 -0.11 5.02 -0.85 -1.26 -1.09 117.35 116.61 1nqg s TYR 393 Ca 0.29 -1.03 -0.04 0.00 -0.52 0.00 0.00 57.07 55.77 1nqg s TYR 393 Cb -0.00 -0.15 0.06 0.00 0.38 0.00 0.00 41.96 42.24 1nqg s TYR 393 CO 0.18 -0.84 0.22 0.21 -1.52 0.00 0.00 175.55 173.80 1nqg s LYS 394 N -4.05 0.11 0.53 -3.49 2.47 0.57 -1.71 119.74 114.17 1nqg s LYS 394 Ca 0.30 0.64 -0.20 0.00 -1.56 0.00 0.00 55.97 55.15 1nqg s LYS 394 Cb 0.03 -0.14 -0.06 0.00 -1.46 0.00 0.00 37.83 36.20 1nqg s LYS 394 CO 0.11 -0.28 1.16 0.00 0.16 0.00 0.00 175.35 176.51 1nqg s ALA 395 N 2.20 2.75 0.55 3.13 0.00 -1.26 -1.11 121.76 128.02 1nqg s ALA 395 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 1nqg s ALA 395 Cb -0.12 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1nqg s ALA 395 CO -0.07 -0.84 1.07 -2.14 0.00 0.00 0.00 175.76 173.78 1nqg s PRO 396 N -3.11 3.48 0.32 0.00 0.02 -1.26 -4.86 135.00 129.59 1nqg s PRO 396 Ca 0.71 1.36 0.07 0.00 0.02 0.00 0.00 61.00 63.16 1nqg s PRO 396 Cb -0.27 -2.05 -0.02 0.00 0.02 0.00 0.00 34.50 32.18 1nqg s PRO 396 CO 0.31 -0.70 0.33 0.54 -0.33 0.00 0.00 177.00 177.15 1nqg s ASN 397 N -2.26 5.50 0.20 2.53 2.20 -1.26 -4.97 114.94 116.88 1nqg s ASN 397 Ca 0.67 -0.38 -0.23 0.00 -0.94 0.00 0.00 52.86 51.97 1nqg s ASN 397 Cb -0.18 -1.11 0.10 0.00 -2.00 0.00 0.00 41.25 38.07 1nqg s ASN 397 CO 0.29 -0.33 1.55 -0.07 -2.94 0.00 0.00 177.10 175.59 1nqg h LEU 398 N 1.19 -1.72 -1.68 3.54 -0.00 -1.92 0.55 115.31 115.26 1nqg h LEU 398 Ca -0.46 0.31 0.05 0.00 -0.00 0.00 0.00 57.88 57.79 1nqg h LEU 398 Cb 1.25 0.83 -0.02 0.00 -0.00 0.00 0.00 40.66 42.72 1nqg h LEU 398 CO 0.57 -0.27 0.30 1.23 -0.00 0.00 0.00 178.44 180.27 1nqg h GLY 399 N -0.02 0.48 1.75 0.83 0.00 -1.87 4.38 103.07 108.62 1nqg h GLY 399 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1nqg h GLY 399 CO -0.94 0.13 -0.17 -1.06 0.00 0.00 0.00 176.54 174.49 1nqg n GLN 400 N -4.48 0.21 -0.12 4.80 6.02 0.18 -2.71 117.38 121.29 1nqg n GLN 400 Ca 0.05 0.14 -0.22 0.00 -0.01 0.00 0.00 57.00 56.96 1nqg n GLN 400 Cb 0.22 -1.71 -0.10 0.00 1.02 0.00 0.00 30.24 29.67 1nqg n GLN 400 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1nqg n LEU 401 N -2.07 2.37 -0.05 1.08 4.77 0.71 0.20 117.00 124.02 1nqg n LEU 401 Ca 0.05 0.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1nqg n LEU 401 Cb 0.41 -0.79 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1nqg n LEU 401 CO 0.31 0.71 0.46 -1.22 -1.33 0.00 0.00 177.39 176.32 1nqg n TYR 402 N -3.69 0.00 -1.89 -1.77 0.53 1.41 -2.47 117.16 109.28 1nqg n TYR 402 Ca -0.47 -0.49 -0.19 0.00 -1.02 0.00 0.00 57.90 55.73 1nqg n TYR 402 Cb 0.90 -0.06 0.13 0.00 -1.03 0.00 0.00 39.34 39.28 1nqg n TYR 402 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nqg n GLY 403 N -0.58 -0.80 0.37 2.72 0.00 -1.10 -4.49 105.19 101.31 1nqg n GLY 403 Ca 0.03 -1.79 0.19 0.00 0.00 0.00 0.00 46.02 44.45 1nqg n GLY 403 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nqg h PHE 404 N -1.25 0.86 -0.36 1.61 -0.00 -1.84 -1.09 116.94 114.87 1nqg h PHE 404 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.72 1nqg h PHE 404 Cb 0.83 -0.25 0.00 0.00 -0.00 0.00 0.00 35.95 36.53 1nqg h PHE 404 CO 0.00 0.11 0.00 0.66 -0.00 0.00 0.00 178.31 179.08 1nqg n TYR 405 N -4.73 1.15 -0.46 0.41 4.02 -1.26 -5.02 117.16 111.27 1nqg n TYR 405 Ca 0.25 -0.79 -0.28 0.00 -0.01 0.00 0.00 57.90 57.06 1nqg n TYR 405 Cb 0.76 -0.32 0.27 0.00 -0.02 0.00 0.00 39.34 40.03 1nqg n TYR 405 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1nqg s GLY 406 N -1.55 1.51 -0.30 2.72 0.00 -0.42 -2.11 107.32 107.18 1nqg s GLY 406 Ca 0.43 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.88 1nqg s GLY 406 CO 0.12 0.53 0.63 0.21 0.00 0.00 0.00 173.10 174.59 1nqg s ASN 407 N -2.55 -1.38 0.09 1.64 3.04 0.13 -4.57 114.94 111.34 1nqg s ASN 407 Ca 0.69 0.65 0.26 0.00 0.04 0.00 0.00 52.86 54.49 1nqg s ASN 407 Cb -0.24 2.07 0.99 0.00 -1.54 0.00 0.00 41.25 42.54 1nqg s ASN 407 CO 0.64 -0.26 1.80 -0.81 -3.04 0.00 0.00 177.10 175.43 1nqg n PRO 408 N 5.42 0.10 -1.01 0.43 -0.05 -1.16 -3.46 135.00 135.28 1nqg n PRO 408 Ca 0.00 0.14 -0.07 0.00 -0.05 0.00 0.00 63.50 63.53 1nqg n PRO 408 Cb 0.52 -1.64 0.29 0.00 -0.05 0.00 0.00 33.50 32.62 1nqg n PRO 408 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1nqg n ASN 409 N -1.82 4.57 -4.76 3.54 3.02 -1.26 -4.95 115.26 113.59 1nqg n ASN 409 Ca 0.06 -3.29 -0.35 0.00 -0.03 0.00 0.00 54.58 50.96 1nqg n ASN 409 Cb 0.34 -0.74 0.02 0.00 -0.61 0.00 0.00 39.78 38.79 1nqg n ASN 409 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nqg s LEU 410 N -3.04 3.70 0.49 3.41 1.43 -1.22 -5.04 118.68 118.41 1nqg s LEU 410 Ca 0.54 2.29 0.01 0.00 -1.03 0.00 0.00 54.13 55.94 1nqg s LEU 410 Cb 0.44 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 42.08 1nqg s LEU 410 CO 0.12 -1.43 0.71 -1.81 0.23 0.00 0.00 176.35 174.17 1nqg s ASP 411 N -1.69 5.60 0.73 2.29 1.01 -1.26 -4.73 116.67 118.63 1nqg s ASP 411 Ca 0.75 0.14 -0.12 0.00 0.71 0.00 0.00 52.55 54.03 1nqg s ASP 411 Cb -0.27 -1.24 0.04 0.00 1.01 0.00 0.00 42.92 42.46 1nqg s ASP 411 CO 0.30 -0.88 1.09 -2.84 0.21 0.00 0.00 175.17 173.06 1nqg s PRO 412 N -4.63 2.46 0.10 8.23 0.02 -1.26 -4.67 135.00 135.25 1nqg s PRO 412 Ca 0.52 1.22 -0.23 0.00 0.02 0.00 0.00 61.00 62.53 1nqg s PRO 412 Cb -0.10 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 1nqg s PRO 412 CO 0.38 -1.49 0.69 -1.21 -0.33 0.00 0.00 177.00 175.04 1nqg s GLU 413 N -4.68 4.42 -0.10 5.54 2.02 -0.26 -4.86 118.70 120.78 1nqg s GLU 413 Ca 0.63 0.97 0.04 0.00 0.02 0.00 0.00 54.97 56.62 1nqg s GLU 413 Cb -0.18 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.77 1nqg s GLU 413 CO 0.52 0.52 -0.23 0.15 0.02 0.00 0.00 175.26 176.24 1nqg s LYS 414 N -0.84 3.08 -0.01 1.61 1.02 -0.13 -0.31 119.74 124.16 1nqg s LYS 414 Ca 0.34 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.53 1nqg s LYS 414 Cb -0.21 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1nqg s LYS 414 CO 0.23 0.18 -0.20 0.45 -0.92 0.00 0.00 175.35 175.09 1nqg s SER 415 N 0.34 2.39 -0.18 2.83 0.15 -0.25 -0.23 113.70 118.75 1nqg s SER 415 Ca -0.18 -0.38 -0.00 0.00 0.70 0.00 0.00 55.95 56.08 1nqg s SER 415 Cb -0.18 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.88 1nqg s SER 415 CO 0.09 0.24 -0.14 -0.54 1.20 0.00 0.00 173.24 174.09 1nqg s LYS 416 N -0.55 3.19 0.05 5.44 1.02 -1.01 -0.30 119.74 127.59 1nqg s LYS 416 Ca 0.08 -0.74 0.09 0.00 0.02 0.00 0.00 55.97 55.41 1nqg s LYS 416 Cb -0.08 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1nqg s LYS 416 CO -0.01 -0.09 -0.24 -0.65 -0.92 0.00 0.00 175.35 173.44 1nqg s GLN 417 N 1.08 1.65 0.10 1.68 -0.21 -0.54 -1.63 119.66 121.78 1nqg s GLN 417 Ca -0.00 -1.06 0.10 0.00 0.02 0.00 0.00 55.36 54.41 1nqg s GLN 417 Cb -0.14 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 32.01 1nqg s GLN 417 CO -0.04 0.47 -0.25 -1.58 -2.12 0.00 0.00 175.29 171.77 1nqg s TRP 418 N -0.81 2.12 -0.24 0.91 0.51 -0.77 -1.46 118.94 119.20 1nqg s TRP 418 Ca 0.10 -0.39 -0.16 0.00 -2.12 0.00 0.00 56.10 53.53 1nqg s TRP 418 Cb -0.10 -1.18 0.07 0.00 -0.81 0.00 0.00 33.47 31.46 1nqg s TRP 418 CO 0.02 0.25 0.60 -2.00 -0.51 0.00 0.00 176.95 175.31 1nqg s GLU 419 N -1.83 0.63 -0.01 4.98 2.12 -0.61 -0.94 118.70 123.04 1nqg s GLU 419 Ca 0.11 1.02 0.06 0.00 0.36 0.00 0.00 54.97 56.52 1nqg s GLU 419 Cb -0.10 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.42 1nqg s GLU 419 CO 0.05 -0.14 -0.18 0.20 -0.54 0.00 0.00 175.26 174.65 1nqg s GLY 420 N 1.24 1.48 0.05 -1.50 0.00 -0.98 -0.72 107.32 106.90 1nqg s GLY 420 Ca -0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 1nqg s GLY 420 CO -0.13 -0.92 0.02 0.00 0.00 0.00 0.00 173.10 172.07 1nqg s ALA 421 N -0.77 0.28 -0.05 3.20 0.00 0.90 -2.46 121.76 122.87 1nqg s ALA 421 Ca 0.12 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1nqg s ALA 421 Cb -0.10 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.32 1nqg s ALA 421 CO 0.02 -0.37 -0.08 -0.06 0.00 0.00 0.00 175.76 175.27 1nqg s PHE 422 N -3.53 1.06 -0.05 0.00 0.40 0.11 -0.86 117.98 115.12 1nqg s PHE 422 Ca 0.03 -0.34 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1nqg s PHE 422 Cb 0.05 -0.82 0.02 0.00 0.51 0.00 0.00 43.02 42.77 1nqg s PHE 422 CO -0.09 -0.20 0.13 -2.00 0.70 0.00 0.00 175.22 173.76 1nqg s GLU 423 N 0.67 0.13 -0.12 0.44 2.12 -0.60 0.11 118.70 121.45 1nqg s GLU 423 Ca -0.11 0.22 -0.33 0.00 0.36 0.00 0.00 54.97 55.11 1nqg s GLU 423 Cb -0.14 -0.00 0.12 0.00 0.26 0.00 0.00 34.13 34.37 1nqg s GLU 423 CO 0.02 -0.06 1.09 0.20 -0.54 0.00 0.00 175.26 175.97 1nqg s GLY 424 N 0.38 -0.36 -0.36 -1.50 0.00 -0.48 -0.38 107.32 104.62 1nqg s GLY 424 Ca -0.03 1.37 -0.05 0.00 0.00 0.00 0.00 44.72 46.01 1nqg s GLY 424 CO -0.02 0.46 0.14 -2.27 0.00 0.00 0.00 173.10 171.41 1nqg s LEU 425 N -2.30 4.61 -0.05 0.66 0.20 -0.23 -1.98 118.68 119.59 1nqg s LEU 425 Ca 0.08 -1.44 0.03 0.00 0.69 0.00 0.00 54.13 53.49 1nqg s LEU 425 Cb -0.01 -1.85 0.00 0.00 -0.43 0.00 0.00 46.19 43.90 1nqg s LEU 425 CO -0.06 -0.40 -0.15 0.28 -0.29 0.00 0.00 176.35 175.73 1nqg s THR 426 N 1.32 1.28 -1.80 3.68 -1.32 -0.56 -4.85 115.64 113.40 1nqg s THR 426 Ca 0.01 -0.60 -0.22 0.00 -1.21 0.00 0.00 61.69 59.66 1nqg s THR 426 Cb -0.21 -1.13 0.22 0.00 -1.51 0.00 0.00 72.50 69.87 1nqg s THR 426 CO 0.00 0.38 0.55 0.00 -2.21 0.00 0.00 174.62 173.35 1nqg n ALA 427 N 3.44 -1.20 0.00 11.08 0.00 -1.26 -0.46 120.51 132.12 1nqg n ALA 427 Ca -0.20 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1nqg n ALA 427 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1nqg n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqg n GLY 428 N -1.10 0.61 3.13 0.00 0.00 -1.26 -5.03 105.19 101.54 1nqg n GLY 428 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1nqg n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqg s VAL 429 N -2.00 2.04 -0.21 1.61 1.01 0.39 -4.19 120.40 119.05 1nqg s VAL 429 Ca 0.00 -0.94 -0.22 0.00 0.00 0.00 0.00 61.98 60.82 1nqg s VAL 429 Cb 0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1nqg s VAL 429 CO 0.00 0.54 0.69 0.20 0.00 0.00 0.00 175.10 176.53 1nqg s ASN 430 N 1.14 6.73 0.13 3.32 0.01 -0.83 -1.49 114.94 123.95 1nqg s ASN 430 Ca 0.01 0.89 -0.03 0.00 -0.71 0.00 0.00 52.86 53.02 1nqg s ASN 430 Cb -0.14 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 1nqg s ASN 430 CO -0.09 -0.35 0.10 -1.66 -1.51 0.00 0.00 177.10 173.59 1nqg s TRP 431 N 2.21 0.72 -0.11 2.20 1.48 -0.84 -1.33 118.94 123.27 1nqg s TRP 431 Ca 0.31 -1.11 -0.18 0.00 -1.06 0.00 0.00 56.10 54.06 1nqg s TRP 431 Cb -0.16 -0.38 0.04 0.00 -1.16 0.00 0.00 33.47 31.82 1nqg s TRP 431 CO 0.10 -0.55 0.46 0.50 -4.06 0.00 0.00 176.95 173.40 1nqg s ARG 432 N -4.02 0.67 -0.09 3.25 3.52 -1.05 -1.38 118.95 119.85 1nqg s ARG 432 Ca 0.21 0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 56.12 1nqg s ARG 432 Cb 0.07 0.31 0.05 0.00 -1.56 0.00 0.00 34.95 33.82 1nqg s ARG 432 CO 0.00 -0.14 0.19 -1.50 -0.81 0.00 0.00 175.30 173.04 1nqg s ILE 433 N -0.44 -0.19 0.10 4.11 2.07 0.29 -1.97 121.20 125.17 1nqg s ILE 433 Ca -0.06 0.26 0.10 0.00 -1.41 0.00 0.00 60.65 59.54 1nqg s ILE 433 Cb -0.03 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1nqg s ILE 433 CO 0.03 0.11 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.49 1nqg s SER 434 N 1.80 3.48 -0.11 4.50 0.01 -0.76 -0.71 113.70 121.91 1nqg s SER 434 Ca -0.03 -0.64 0.04 0.00 1.31 0.00 0.00 55.95 56.63 1nqg s SER 434 Cb -0.12 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.76 1nqg s SER 434 CO -0.07 0.20 -0.23 -0.83 0.41 0.00 0.00 173.24 172.72 1nqg s GLY 435 N -1.87 1.34 0.29 3.44 0.00 -1.03 -1.13 107.32 108.36 1nqg s GLY 435 Ca 0.15 -1.00 0.11 0.00 0.00 0.00 0.00 44.72 43.97 1nqg s GLY 435 CO 0.06 -0.26 -0.16 -2.52 0.00 0.00 0.00 173.10 170.22 1nqg s TYR 436 N 0.45 2.25 -0.10 1.90 1.13 -0.58 -2.33 117.35 120.08 1nqg s TYR 436 Ca -0.16 -0.42 0.03 0.00 -1.41 0.00 0.00 57.07 55.11 1nqg s TYR 436 Cb -0.17 -1.08 0.01 0.00 -1.10 0.00 0.00 41.96 39.61 1nqg s TYR 436 CO 0.06 0.63 -0.19 0.50 -2.51 0.00 0.00 175.55 174.05 1nqg s ARG 437 N -3.56 2.49 -0.22 -3.49 3.52 -0.12 -0.72 118.95 116.85 1nqg s ARG 437 Ca 0.30 -0.68 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 1nqg s ARG 437 Cb -0.02 -1.97 0.06 0.00 -1.56 0.00 0.00 34.95 31.45 1nqg s ARG 437 CO 0.14 0.07 -0.06 1.21 -0.81 0.00 0.00 175.30 175.85 1nqg s ASN 438 N 0.60 3.67 -0.33 -2.12 3.84 0.04 -1.84 114.94 118.80 1nqg s ASN 438 Ca -0.14 -1.07 -0.15 0.00 0.21 0.00 0.00 52.86 51.70 1nqg s ASN 438 Cb -0.17 -1.16 -0.01 0.00 -0.55 0.00 0.00 41.25 39.36 1nqg s ASN 438 CO 0.04 -0.21 0.38 -1.81 -2.79 0.00 0.00 177.10 172.71 1nqg s ASP 439 N 1.42 6.20 0.04 -4.21 -0.00 -0.65 0.61 116.67 120.08 1nqg s ASP 439 Ca -0.04 -0.15 0.01 0.00 -0.00 0.00 0.00 52.55 52.37 1nqg s ASP 439 Cb -0.18 -2.21 -0.04 0.00 -0.00 0.00 0.00 42.92 40.49 1nqg s ASP 439 CO -0.07 -0.34 0.09 -0.69 -0.00 0.00 0.00 175.17 174.17 1nqg s VAL 440 N 2.07 4.71 0.14 -1.27 1.01 0.55 -2.39 120.40 125.22 1nqg s VAL 440 Ca 0.13 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1nqg s VAL 440 Cb -0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1nqg s VAL 440 CO 0.12 0.22 0.15 -0.94 0.00 0.00 0.00 175.10 174.65 1nqg s SER 441 N -2.13 0.19 -1.30 3.32 1.04 0.68 -0.84 113.70 114.68 1nqg s SER 441 Ca 0.27 -1.06 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 1nqg s SER 441 Cb -0.12 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1nqg s SER 441 CO 0.19 -0.80 1.09 0.47 0.98 0.00 0.00 173.24 175.17 1nqg n ASP 442 N -0.14 -4.35 -4.74 7.02 10.43 -0.84 -0.95 116.55 122.98 1nqg n ASP 442 Ca -0.06 -0.59 -0.41 0.00 2.57 0.00 0.00 54.79 56.30 1nqg n ASP 442 Cb 0.63 -5.02 -0.04 0.00 1.84 0.00 0.00 41.12 38.54 1nqg n ASP 442 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1nqg s LEU 443 N -6.89 4.47 -0.48 0.64 1.43 -0.36 -4.11 118.68 113.37 1nqg s LEU 443 Ca 0.32 2.19 -0.26 0.00 -1.03 0.00 0.00 54.13 55.35 1nqg s LEU 443 Cb -0.14 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1nqg s LEU 443 CO 0.74 -0.31 0.99 -0.63 0.23 0.00 0.00 176.35 177.37 1nqg s ILE 444 N -0.17 4.38 0.04 -0.59 1.01 -1.26 -0.07 121.20 124.53 1nqg s ILE 444 Ca 0.51 0.83 0.06 0.00 0.00 0.00 0.00 60.65 62.05 1nqg s ILE 444 Cb -0.31 -4.50 -0.02 0.00 0.01 0.00 0.00 42.46 37.63 1nqg s ILE 444 CO 0.36 -0.93 -0.17 -1.81 0.00 0.00 0.00 174.94 172.40 1nqg s ASP 445 N 2.39 1.97 0.18 3.58 1.01 -0.51 -4.92 116.67 120.37 1nqg s ASP 445 Ca 0.39 -0.48 -0.30 0.00 0.71 0.00 0.00 52.55 52.88 1nqg s ASP 445 Cb -0.09 -0.14 -0.08 0.00 1.01 0.00 0.00 42.92 43.61 1nqg s ASP 445 CO 0.27 0.08 1.16 -0.47 0.21 0.00 0.00 175.17 176.43 1nqg s TYR 446 N -0.82 3.49 -0.29 4.23 6.14 -1.26 -1.33 117.35 127.50 1nqg s TYR 446 Ca 0.04 1.49 -0.10 0.00 0.64 0.00 0.00 57.07 59.14 1nqg s TYR 446 Cb -0.08 -3.37 -0.02 0.00 0.42 0.00 0.00 41.96 38.90 1nqg s TYR 446 CO 0.01 -0.98 0.15 0.34 0.64 0.00 0.00 175.55 175.72 1nqg s ASP 447 N 0.08 5.62 0.36 4.32 2.15 0.29 -4.92 116.67 124.57 1nqg s ASP 447 Ca 0.52 -0.32 0.12 0.00 0.43 0.00 0.00 52.55 53.29 1nqg s ASP 447 Cb -0.31 -2.03 0.68 0.00 -0.30 0.00 0.00 42.92 40.96 1nqg s ASP 447 CO 0.36 -0.13 1.81 -2.24 -0.17 0.00 0.00 175.17 174.80 1nqg h ASP 448 N 8.35 0.05 -0.77 -0.34 3.04 -1.96 0.88 116.42 125.66 1nqg h ASP 448 Ca -0.34 -0.02 0.02 0.00 -3.24 0.00 0.00 57.03 53.45 1nqg h ASP 448 Cb 1.16 -0.01 -0.04 0.00 -1.04 0.00 0.00 39.33 39.40 1nqg h ASP 448 CO 0.59 0.41 0.51 0.45 -2.04 0.00 0.00 179.24 179.16 1nqg h HIS 449 N 0.04 0.96 0.00 4.15 3.86 -1.93 -2.98 115.15 119.25 1nqg h HIS 449 Ca 0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1nqg h HIS 449 Cb 0.67 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.77 1nqg h HIS 449 CO 0.00 0.59 -0.39 0.25 0.86 0.00 0.00 177.93 179.24 1nqg n THR 450 N -4.57 1.56 -3.57 2.45 -2.24 -0.41 -4.92 114.28 102.59 1nqg n THR 450 Ca 0.08 -2.24 -0.28 0.00 -2.27 0.00 0.00 64.05 59.34 1nqg n THR 450 Cb 0.04 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1nqg n THR 450 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nqg n LEU 451 N -0.90 -0.54 -4.26 3.22 7.99 0.29 -4.88 117.00 117.92 1nqg n LEU 451 Ca 0.14 -0.77 -0.19 0.00 -0.01 0.00 0.00 56.01 55.18 1nqg n LEU 451 Cb 0.73 -1.15 -0.11 0.00 -0.11 0.00 0.00 43.42 42.78 1nqg n LEU 451 CO -0.02 0.07 -0.46 -0.54 -1.51 0.00 0.00 177.39 174.93 1nqg s LYS 452 N -5.46 1.07 0.41 3.23 1.02 -0.97 -4.59 119.74 114.46 1nqg s LYS 452 Ca 0.55 -1.27 -0.20 0.00 0.02 0.00 0.00 55.97 55.07 1nqg s LYS 452 Cb -0.32 -1.00 -0.11 0.00 -0.52 0.00 0.00 37.83 35.88 1nqg s LYS 452 CO 0.67 0.20 0.92 0.71 -0.92 0.00 0.00 175.35 176.93 1nqg s TYR 453 N -2.08 3.34 0.13 3.18 2.02 -0.90 0.11 117.35 123.15 1nqg s TYR 453 Ca 0.10 1.56 -0.07 0.00 -0.37 0.00 0.00 57.07 58.29 1nqg s TYR 453 Cb -0.05 -2.81 -0.01 0.00 -0.40 0.00 0.00 41.96 38.69 1nqg s TYR 453 CO 0.04 -0.06 0.21 0.71 -1.57 0.00 0.00 175.55 174.88 1nqg s TYR 454 N -2.11 0.38 -0.28 2.71 1.51 -0.44 -4.70 117.35 114.41 1nqg s TYR 454 Ca 0.60 -0.77 -0.29 0.00 -1.01 0.00 0.00 57.07 55.60 1nqg s TYR 454 Cb -0.10 -0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.63 1nqg s TYR 454 CO 0.14 -0.62 1.20 -0.80 -1.11 0.00 0.00 175.55 174.37 1nqg s ASN 455 N -2.94 6.83 0.00 2.29 0.01 -1.26 -1.42 114.94 118.45 1nqg s ASN 455 Ca 0.13 1.24 0.00 0.00 -0.71 0.00 0.00 52.86 53.52 1nqg s ASN 455 Cb 0.05 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1nqg s ASN 455 CO -0.04 -0.93 0.00 -1.84 -1.51 0.00 0.00 177.10 172.78 1nqg n GLU 456 N 6.99 1.75 -2.44 -0.60 0.28 0.90 -4.79 120.64 122.72 1nqg n GLU 456 Ca 0.13 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.82 1nqg n GLU 456 Cb 0.46 -0.15 -0.02 0.00 1.43 0.00 0.00 31.44 33.15 1nqg n GLU 456 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1nqg s GLY 457 N -0.06 1.94 0.06 -1.84 0.00 -0.98 -4.63 107.32 101.82 1nqg s GLY 457 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 44.72 44.80 1nqg s GLY 457 CO 0.00 0.25 -0.20 0.54 0.00 0.00 0.00 173.10 173.69 1nqg s LYS 458 N -4.22 1.24 0.05 2.90 1.02 -1.26 -1.23 119.74 118.24 1nqg s LYS 458 Ca 0.56 -1.00 0.02 0.00 0.02 0.00 0.00 55.97 55.57 1nqg s LYS 458 Cb -0.10 -1.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.79 1nqg s LYS 458 CO 0.36 0.34 -0.08 0.00 -0.92 0.00 0.00 175.35 175.05 1nqg s ALA 459 N -0.93 0.64 -0.08 5.17 0.00 -0.02 -0.44 121.76 126.10 1nqg s ALA 459 Ca 0.06 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1nqg s ALA 459 Cb -0.09 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1nqg s ALA 459 CO 0.03 -0.04 -0.15 0.50 0.00 0.00 0.00 175.76 176.10 1nqg s ARG 460 N -1.84 2.05 0.00 0.00 3.52 -0.91 0.20 118.95 121.98 1nqg s ARG 460 Ca -0.07 -0.53 0.08 0.00 -0.13 0.00 0.00 55.73 55.08 1nqg s ARG 460 Cb -0.08 -1.65 -0.02 0.00 -1.56 0.00 0.00 34.95 31.63 1nqg s ARG 460 CO -0.00 0.05 -0.25 0.42 -0.81 0.00 0.00 175.30 174.71 1nqg s ILE 461 N 0.63 1.98 -0.13 4.11 1.01 0.20 -2.08 121.20 126.91 1nqg s ILE 461 Ca -0.15 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 1nqg s ILE 461 Cb -0.16 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.69 1nqg s ILE 461 CO 0.04 0.48 -0.04 -0.54 0.00 0.00 0.00 174.94 174.89 1nqg s LYS 462 N -0.79 1.18 0.18 2.79 1.02 -0.93 -0.78 119.74 122.41 1nqg s LYS 462 Ca 0.10 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 55.79 1nqg s LYS 462 Cb -0.10 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 1nqg s LYS 462 CO 0.00 -0.39 0.07 0.20 -0.92 0.00 0.00 175.35 174.32 1nqg s GLY 463 N 1.76 1.32 -0.11 -3.33 0.00 0.10 -0.60 107.32 106.45 1nqg s GLY 463 Ca 0.03 -1.64 -0.06 0.00 0.00 0.00 0.00 44.72 43.04 1nqg s GLY 463 CO -0.07 -1.46 0.27 0.14 0.00 0.00 0.00 173.10 171.98 1nqg s VAL 464 N -3.94 -0.03 -0.02 1.40 1.01 -0.32 -1.53 120.40 116.97 1nqg s VAL 464 Ca 0.31 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1nqg s VAL 464 Cb 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1nqg s VAL 464 CO 0.08 0.05 -0.17 -0.70 0.00 0.00 0.00 175.10 174.35 1nqg s GLU 465 N 1.12 1.49 -0.08 2.72 2.12 -0.28 -0.45 118.70 125.33 1nqg s GLU 465 Ca -0.08 -0.61 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 1nqg s GLU 465 Cb -0.09 -1.40 0.04 0.00 0.26 0.00 0.00 34.13 32.95 1nqg s GLU 465 CO -0.08 0.34 0.18 0.00 -0.54 0.00 0.00 175.26 175.16 1nqg s ALA 466 N -0.29 -0.33 0.27 6.30 0.00 -0.50 -1.83 121.76 125.38 1nqg s ALA 466 Ca 0.04 0.75 0.03 0.00 0.00 0.00 0.00 51.96 52.78 1nqg s ALA 466 Cb -0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.39 1nqg s ALA 466 CO -0.00 -0.27 0.03 0.95 0.00 0.00 0.00 175.76 176.48 1nqg s THR 467 N 1.47 1.03 -0.29 0.00 -4.23 -0.83 -0.74 115.64 112.04 1nqg s THR 467 Ca -0.06 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 1nqg s THR 467 Cb -0.11 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.32 1nqg s THR 467 CO -0.07 -0.15 1.20 0.00 -0.54 0.00 0.00 174.62 175.06 1nqg s ALA 468 N -3.42 -2.08 0.05 3.99 0.00 -0.30 -2.53 121.76 117.46 1nqg s ALA 468 Ca 0.33 1.80 0.03 0.00 0.00 0.00 0.00 51.96 54.12 1nqg s ALA 468 Cb 0.07 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1nqg s ALA 468 CO 0.12 -0.18 -0.09 0.54 0.00 0.00 0.00 175.76 176.15 1nqg s ASN 469 N 0.17 0.99 0.04 0.00 2.20 -0.44 -1.23 114.94 116.67 1nqg s ASN 469 Ca 0.05 -0.56 -0.28 0.00 -0.94 0.00 0.00 52.86 51.12 1nqg s ASN 469 Cb -0.05 0.02 0.09 0.00 -2.00 0.00 0.00 41.25 39.32 1nqg s ASN 469 CO -0.10 -0.18 1.04 0.72 -2.94 0.00 0.00 177.10 175.64 1nqg s PHE 470 N -1.37 -0.16 0.12 1.54 -0.12 -0.79 -1.97 117.98 115.22 1nqg s PHE 470 Ca -0.09 -0.03 0.08 0.00 -0.05 0.00 0.00 56.93 56.85 1nqg s PHE 470 Cb -0.10 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1nqg s PHE 470 CO 0.01 -0.57 -0.13 -0.51 -0.05 0.00 0.00 175.22 173.97 1nqg s ASP 471 N -2.75 4.20 -0.19 1.98 1.01 -1.26 -1.37 116.67 118.28 1nqg s ASP 471 Ca 0.11 -0.47 -0.07 0.00 0.71 0.00 0.00 52.55 52.83 1nqg s ASP 471 Cb 0.00 -0.72 0.09 0.00 1.01 0.00 0.00 42.92 43.30 1nqg s ASP 471 CO -0.03 0.17 0.40 0.42 0.21 0.00 0.00 175.17 176.34 1nqg s THR 472 N -1.26 -0.62 0.00 -1.27 -4.23 0.38 -4.99 115.64 103.65 1nqg s THR 472 Ca 0.21 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 1nqg s THR 472 Cb -0.11 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.09 1nqg s THR 472 CO 0.13 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 1nqg n GLY 473 N 5.39 1.18 0.00 3.99 0.00 -1.26 -2.59 105.19 111.89 1nqg n GLY 473 Ca -0.08 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1nqg n GLY 473 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqg n PRO 474 N 10.53 0.53 -3.31 1.61 -0.04 -1.26 -4.74 135.00 138.33 1nqg n PRO 474 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1nqg n PRO 474 Cb 0.00 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1nqg n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqg s LEU 475 N -1.32 4.33 -0.14 1.53 1.43 -1.07 -4.26 118.68 119.18 1nqg s LEU 475 Ca 0.08 0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 54.09 1nqg s LEU 475 Cb 0.04 -2.74 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1nqg s LEU 475 CO 0.06 0.06 -0.10 -0.89 0.23 0.00 0.00 176.35 175.71 1nqg s THR 476 N 0.23 3.30 -0.06 5.49 2.01 0.44 -0.47 115.64 126.57 1nqg s THR 476 Ca 0.27 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1nqg s THR 476 Cb -0.16 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 1nqg s THR 476 CO 0.12 0.52 -0.11 -1.00 -0.69 0.00 0.00 174.62 173.46 1nqg s HIS 477 N 0.34 2.80 -0.32 4.92 0.09 -0.47 -1.45 115.29 121.20 1nqg s HIS 477 Ca -0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 55.06 54.83 1nqg s HIS 477 Cb -0.15 -1.68 0.13 0.00 -0.00 0.00 0.00 32.58 30.88 1nqg s HIS 477 CO 0.05 0.20 0.25 0.99 -0.00 0.00 0.00 174.74 176.23 1nqg s THR 478 N -0.65 -0.20 0.14 1.30 2.01 -0.38 -1.89 115.64 115.97 1nqg s THR 478 Ca 0.10 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.29 1nqg s THR 478 Cb -0.11 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1nqg s THR 478 CO 0.01 -0.66 -0.10 0.54 -0.69 0.00 0.00 174.62 173.72 1nqg s VAL 479 N 1.87 3.26 -0.04 3.82 0.11 -0.36 -1.26 120.40 127.78 1nqg s VAL 479 Ca 0.12 -1.47 -0.23 0.00 -2.93 0.00 0.00 61.98 57.48 1nqg s VAL 479 Cb -0.16 -2.57 0.05 0.00 -1.53 0.00 0.00 36.38 32.17 1nqg s VAL 479 CO -0.22 0.00 0.50 -0.94 -3.33 0.00 0.00 175.10 171.11 1nqg s SER 480 N -2.51 -0.43 -0.03 3.54 1.04 -0.01 -1.15 113.70 114.14 1nqg s SER 480 Ca 0.23 0.44 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 1nqg s SER 480 Cb -0.10 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.50 1nqg s SER 480 CO 0.14 -0.51 0.08 -0.47 0.98 0.00 0.00 173.24 173.47 1nqg s TYR 481 N -1.17 -0.09 -0.04 5.02 5.04 0.08 -1.38 117.35 124.82 1nqg s TYR 481 Ca -0.12 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 1nqg s TYR 481 Cb -0.03 -0.00 0.01 0.00 0.35 0.00 0.00 41.96 42.29 1nqg s TYR 481 CO 0.07 -0.06 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.64 1nqg s ASP 482 N 0.25 1.09 -0.18 4.32 1.01 -0.93 -1.40 116.67 120.82 1nqg s ASP 482 Ca -0.02 -0.17 -0.01 0.00 0.71 0.00 0.00 52.55 53.07 1nqg s ASP 482 Cb -0.03 -0.41 0.00 0.00 1.01 0.00 0.00 42.92 43.49 1nqg s ASP 482 CO -0.01 0.01 -0.14 -0.47 0.21 0.00 0.00 175.17 174.77 1nqg s TYR 483 N 0.53 2.83 -0.34 4.23 5.04 0.40 -2.41 117.35 127.63 1nqg s TYR 483 Ca -0.08 -1.21 0.03 0.00 -2.44 0.00 0.00 57.07 53.37 1nqg s TYR 483 Cb -0.11 -1.96 0.09 0.00 0.35 0.00 0.00 41.96 40.33 1nqg s TYR 483 CO 0.01 -0.60 0.04 0.08 -1.34 0.00 0.00 175.55 173.74 1nqg s VAL 484 N 1.15 2.41 -1.18 3.14 1.01 0.29 -1.17 120.40 126.05 1nqg s VAL 484 Ca 0.01 -2.18 -0.10 0.00 0.00 0.00 0.00 61.98 59.71 1nqg s VAL 484 Cb -0.14 -2.70 0.23 0.00 0.00 0.00 0.00 36.38 33.76 1nqg s VAL 484 CO -0.05 -0.51 1.44 -0.67 0.00 0.00 0.00 175.10 175.30 1nqg n ASP 485 N 4.33 5.50 -4.54 3.32 2.03 0.23 -4.39 116.55 123.03 1nqg n ASP 485 Ca 0.00 -3.10 -0.42 0.00 0.52 0.00 0.00 54.79 51.79 1nqg n ASP 485 Cb 0.42 -1.44 -0.07 0.00 -0.72 0.00 0.00 41.12 39.30 1nqg n ASP 485 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqg s ALA 486 N -0.27 3.41 0.09 -1.67 0.00 -1.26 -2.20 121.76 119.86 1nqg s ALA 486 Ca 0.37 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1nqg s ALA 486 Cb -0.01 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1nqg s ALA 486 CO -0.00 -1.52 -0.11 1.03 0.00 0.00 0.00 175.76 175.16 1nqg s ARG 487 N 2.65 0.85 -0.30 0.00 0.52 -0.89 -0.31 118.95 121.48 1nqg s ARG 487 Ca 0.22 -1.10 -0.28 0.00 -0.52 0.00 0.00 55.73 54.05 1nqg s ARG 487 Cb -0.15 -0.64 -0.03 0.00 0.52 0.00 0.00 34.95 34.66 1nqg s ARG 487 CO 0.16 0.12 1.92 1.21 0.02 0.00 0.00 175.30 178.72 1nqg s ASN 488 N -2.23 5.77 0.14 0.23 3.84 0.48 -2.14 114.94 121.03 1nqg s ASN 488 Ca 0.03 1.47 0.17 0.00 0.21 0.00 0.00 52.86 54.74 1nqg s ASN 488 Cb -0.05 -2.52 0.75 0.00 -0.55 0.00 0.00 41.25 38.88 1nqg s ASN 488 CO 0.01 -1.78 1.52 0.00 -2.79 0.00 0.00 177.10 174.07 1nqg n ALA 489 N 10.67 1.49 -0.02 1.71 0.00 0.41 -0.15 120.51 134.62 1nqg n ALA 489 Ca 0.25 0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 1nqg n ALA 489 Cb 0.46 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 1nqg n ALA 489 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nqg n ILE 490 N -1.89 1.67 0.78 0.00 2.08 -1.26 -4.35 119.36 116.39 1nqg n ILE 490 Ca 0.02 -0.72 0.08 0.00 0.56 0.00 0.00 62.75 62.69 1nqg n ILE 490 Cb 0.15 -1.35 -0.08 0.00 -0.75 0.00 0.00 39.64 37.62 1nqg n ILE 490 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1nqg n THR 491 N -3.24 0.00 -2.32 1.39 5.66 -1.08 -4.96 114.28 109.73 1nqg n THR 491 Ca -0.27 -0.15 -0.20 0.00 -3.05 0.00 0.00 64.05 60.38 1nqg n THR 491 Cb 1.05 1.04 -0.02 0.00 -1.55 0.00 0.00 70.33 70.86 1nqg n THR 491 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1nqg n ASP 492 N -1.13 -5.73 -4.59 1.09 4.64 0.79 -4.99 116.55 106.63 1nqg n ASP 492 Ca 0.04 0.02 -0.30 0.00 -1.38 0.00 0.00 54.79 53.18 1nqg n ASP 492 Cb 0.28 -4.77 -0.10 0.00 -1.04 0.00 0.00 41.12 35.49 1nqg n ASP 492 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1nqg s THR 493 N -2.99 3.44 0.71 5.18 -4.23 -1.19 -4.82 115.64 111.76 1nqg s THR 493 Ca 0.00 -1.26 -0.16 0.00 -1.18 0.00 0.00 61.69 59.08 1nqg s THR 493 Cb 0.00 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1nqg s THR 493 CO 0.00 0.09 0.58 -2.65 -0.54 0.00 0.00 174.62 172.10 1nqg n PRO 494 N 0.62 0.34 -3.64 3.99 -0.02 -1.26 -0.39 135.00 134.64 1nqg n PRO 494 Ca -0.13 0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.26 1nqg n PRO 494 Cb 0.52 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1nqg n PRO 494 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nqg s LEU 495 N -0.45 4.17 0.55 2.45 1.43 0.58 -4.55 118.68 122.85 1nqg s LEU 495 Ca 0.66 0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 54.07 1nqg s LEU 495 Cb -0.36 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.72 1nqg s LEU 495 CO 0.57 -0.15 0.83 -0.76 0.23 0.00 0.00 176.35 177.07 1nqg s LEU 496 N -3.87 3.33 0.00 1.79 1.02 -1.26 -4.52 118.68 115.17 1nqg s LEU 496 Ca 0.38 0.50 0.00 0.00 0.02 0.00 0.00 54.13 55.03 1nqg s LEU 496 Cb -0.10 -3.34 0.00 0.00 0.02 0.00 0.00 46.19 42.77 1nqg s LEU 496 CO 0.32 -1.00 0.00 0.54 0.02 0.00 0.00 176.35 176.23 1nqg n ARG 497 N -2.43 -0.01 -4.14 1.70 1.74 -0.76 -5.01 116.66 107.76 1nqg n ARG 497 Ca 0.04 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.85 1nqg n ARG 497 Cb 0.58 -2.84 -0.17 0.00 -1.02 0.00 0.00 32.46 29.01 1nqg n ARG 497 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1nqg s ARG 498 N -0.02 1.83 0.13 5.56 3.00 -1.26 -4.92 118.95 123.28 1nqg s ARG 498 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 55.73 55.03 1nqg s ARG 498 Cb 0.00 -1.71 -0.07 0.00 0.00 0.00 0.00 34.95 33.16 1nqg s ARG 498 CO 0.00 -0.18 1.26 0.00 0.00 0.00 0.00 175.30 176.39 1nqg s ALA 499 N 1.36 3.47 0.31 2.13 0.00 -1.26 -4.56 121.76 123.22 1nqg s ALA 499 Ca -0.00 0.98 0.19 0.00 0.00 0.00 0.00 51.96 53.13 1nqg s ALA 499 Cb -0.14 -3.46 0.89 0.00 0.00 0.00 0.00 23.12 20.41 1nqg s ALA 499 CO -0.06 -0.47 1.85 -0.22 0.00 0.00 0.00 175.76 176.86 1nqg h LYS 500 N 6.12 0.00 -3.34 0.00 3.64 -1.76 -3.42 116.57 117.81 1nqg h LYS 500 Ca -0.43 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.63 1nqg h LYS 500 Cb 1.21 0.00 -0.36 0.00 -0.41 0.00 0.00 32.23 32.67 1nqg h LYS 500 CO 0.80 0.31 -0.71 -0.65 -2.27 0.00 0.00 179.45 176.93 1nqg s GLN 501 N -3.98 -0.03 0.12 1.90 -0.21 -1.26 -0.55 119.66 115.66 1nqg s GLN 501 Ca -0.02 0.35 0.10 0.00 0.02 0.00 0.00 55.36 55.81 1nqg s GLN 501 Cb 0.13 -0.36 -0.04 0.00 1.00 0.00 0.00 33.01 33.74 1nqg s GLN 501 CO 0.68 -0.26 -0.24 -0.65 -2.12 0.00 0.00 175.29 172.70 1nqg s GLN 502 N 1.74 1.28 -0.08 2.91 -0.21 -1.01 -1.33 119.66 122.95 1nqg s GLN 502 Ca -0.01 -1.28 0.02 0.00 0.02 0.00 0.00 55.36 54.11 1nqg s GLN 502 Cb -0.12 -1.65 0.02 0.00 1.00 0.00 0.00 33.01 32.25 1nqg s GLN 502 CO -0.04 0.39 -0.12 0.08 -2.12 0.00 0.00 175.29 173.48 1nqg s VAL 503 N -1.17 1.18 -0.03 1.09 1.01 -0.94 -2.20 120.40 119.35 1nqg s VAL 503 Ca 0.11 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1nqg s VAL 503 Cb -0.10 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1nqg s VAL 503 CO 0.05 0.37 -0.08 -0.54 0.00 0.00 0.00 175.10 174.90 1nqg s LYS 504 N 0.94 0.99 -0.09 2.72 1.02 -0.48 0.35 119.74 125.19 1nqg s LYS 504 Ca -0.09 -0.28 -0.04 0.00 0.02 0.00 0.00 55.97 55.58 1nqg s LYS 504 Cb -0.15 -0.92 0.05 0.00 -0.52 0.00 0.00 37.83 36.29 1nqg s LYS 504 CO 0.00 0.07 0.20 -0.47 -0.92 0.00 0.00 175.35 174.24 1nqg s TYR 505 N 0.35 -0.26 -0.00 3.18 6.14 -0.88 -0.83 117.35 125.05 1nqg s TYR 505 Ca -0.06 0.67 0.08 0.00 0.64 0.00 0.00 57.07 58.40 1nqg s TYR 505 Cb -0.10 -0.04 -0.02 0.00 0.42 0.00 0.00 41.96 42.22 1nqg s TYR 505 CO 0.01 -0.23 -0.24 -1.14 0.64 0.00 0.00 175.55 174.59 1nqg s GLN 506 N 1.46 1.86 -0.11 4.97 2.00 -0.39 -0.90 119.66 128.55 1nqg s GLN 506 Ca -0.07 -0.89 -0.01 0.00 -2.00 0.00 0.00 55.36 52.39 1nqg s GLN 506 Cb -0.11 -1.85 0.03 0.00 0.80 0.00 0.00 33.01 31.88 1nqg s GLN 506 CO -0.07 0.50 -0.03 -1.17 -0.50 0.00 0.00 175.29 174.01 1nqg s LEU 507 N -0.71 0.97 0.04 3.68 2.96 -0.77 -1.25 118.68 123.60 1nqg s LEU 507 Ca 0.09 -0.28 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 1nqg s LEU 507 Cb -0.09 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.91 1nqg s LEU 507 CO -0.00 -0.17 -0.26 -1.81 -1.32 0.00 0.00 176.35 172.79 1nqg s ASP 508 N 1.82 3.10 -0.21 3.68 1.01 -0.53 -1.15 116.67 124.39 1nqg s ASP 508 Ca 0.04 -0.58 -0.29 0.00 0.71 0.00 0.00 52.55 52.43 1nqg s ASP 508 Cb -0.13 -0.28 0.15 0.00 1.01 0.00 0.00 42.92 43.66 1nqg s ASP 508 CO -0.07 0.25 1.11 -1.66 0.21 0.00 0.00 175.17 175.02 1nqg s TRP 509 N -0.80 -0.28 0.35 4.23 -2.14 -0.71 -0.42 118.94 119.17 1nqg s TRP 509 Ca 0.11 0.52 0.08 0.00 2.66 0.00 0.00 56.10 59.47 1nqg s TRP 509 Cb -0.10 0.45 -0.03 0.00 -3.10 0.00 0.00 33.47 30.69 1nqg s TRP 509 CO 0.02 -0.24 0.26 -0.65 -2.66 0.00 0.00 176.95 173.68 1nqg s GLN 510 N -0.89 2.58 0.00 3.25 1.11 -1.26 -0.41 119.66 124.03 1nqg s GLN 510 Ca 0.02 -1.42 0.00 0.00 0.01 0.00 0.00 55.36 53.97 1nqg s GLN 510 Cb -0.01 -2.36 0.00 0.00 -1.01 0.00 0.00 33.01 29.63 1nqg s GLN 510 CO -0.02 0.05 0.00 -0.11 0.01 0.00 0.00 175.29 175.22 1nqg n LEU 511 N -1.33 0.00 0.00 2.90 7.94 -0.33 -4.97 117.00 121.21 1nqg n LEU 511 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1nqg n LEU 511 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 1nqg n LEU 511 CO 0.43 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.49 1nqg n TYR 512 N -0.77 0.00 -1.20 1.96 4.01 -1.26 -4.78 117.16 115.12 1nqg n TYR 512 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nqg n TYR 512 Cb 0.00 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 1nqg n TYR 512 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1nqg n ASP 513 N -2.03 0.00 -4.69 7.72 -0.08 -1.26 -5.03 116.55 111.19 1nqg n ASP 513 Ca 0.00 -1.00 -0.42 0.00 -1.51 0.00 0.00 54.79 51.86 1nqg n ASP 513 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1nqg n ASP 513 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1nqg s PHE 514 N 0.00 3.50 -0.21 -0.67 0.08 -1.26 -4.32 117.98 115.11 1nqg s PHE 514 Ca 0.00 1.49 -0.16 0.00 0.12 0.00 0.00 56.93 58.38 1nqg s PHE 514 Cb 0.00 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.30 1nqg s PHE 514 CO 0.00 -0.19 0.41 0.34 -0.10 0.00 0.00 175.22 175.68 1nqg s ASP 515 N 1.08 6.43 0.16 1.36 3.68 -0.32 -1.18 116.67 127.88 1nqg s ASP 515 Ca 0.45 0.51 0.11 0.00 2.13 0.00 0.00 52.55 55.75 1nqg s ASP 515 Cb -0.18 -2.24 -0.04 0.00 -1.45 0.00 0.00 42.92 39.01 1nqg s ASP 515 CO 0.17 -0.10 -0.25 0.26 0.13 0.00 0.00 175.17 175.38 1nqg s TRP 516 N 1.43 2.31 -0.23 -5.34 0.52 0.45 -2.08 118.94 115.99 1nqg s TRP 516 Ca 0.19 -0.37 -0.10 0.00 0.02 0.00 0.00 56.10 55.85 1nqg s TRP 516 Cb -0.15 -1.20 0.09 0.00 -1.15 0.00 0.00 33.47 31.06 1nqg s TRP 516 CO 0.08 0.41 0.52 0.20 0.02 0.00 0.00 176.95 178.19 1nqg s GLY 517 N -2.34 -0.50 -0.10 0.98 0.00 -0.60 -1.74 107.32 103.03 1nqg s GLY 517 Ca 0.17 1.88 0.01 0.00 0.00 0.00 0.00 44.72 46.79 1nqg s GLY 517 CO 0.08 2.44 -0.13 -0.42 0.00 0.00 0.00 173.10 175.06 1nqg s ILE 518 N 2.28 3.07 -0.02 0.90 1.01 -0.30 0.81 121.20 128.95 1nqg s ILE 518 Ca -0.06 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1nqg s ILE 518 Cb -0.10 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1nqg s ILE 518 CO -0.16 0.55 -0.19 0.28 0.00 0.00 0.00 174.94 175.43 1nqg s THR 519 N -0.12 1.51 -0.08 2.92 -1.32 -0.55 -1.84 115.64 116.16 1nqg s THR 519 Ca -0.01 -0.82 0.05 0.00 -1.21 0.00 0.00 61.69 59.70 1nqg s THR 519 Cb -0.14 -1.26 -0.01 0.00 -1.51 0.00 0.00 72.50 69.59 1nqg s THR 519 CO 0.03 0.43 -0.24 -0.47 -2.21 0.00 0.00 174.62 172.16 1nqg s TYR 520 N -0.44 2.50 0.00 9.09 5.04 -0.08 -1.41 117.35 132.05 1nqg s TYR 520 Ca 0.07 -0.82 0.04 0.00 -2.44 0.00 0.00 57.07 53.93 1nqg s TYR 520 Cb -0.07 -1.65 -0.01 0.00 0.35 0.00 0.00 41.96 40.57 1nqg s TYR 520 CO -0.01 -0.28 -0.14 -1.14 -1.34 0.00 0.00 175.55 172.65 1nqg s GLN 521 N 0.02 1.06 -0.25 4.97 0.74 0.00 -2.06 119.66 124.13 1nqg s GLN 521 Ca -0.09 -0.55 -0.03 0.00 0.05 0.00 0.00 55.36 54.74 1nqg s GLN 521 Cb -0.15 -1.03 0.01 0.00 1.10 0.00 0.00 33.01 32.94 1nqg s GLN 521 CO 0.06 0.28 -0.03 -0.47 -0.55 0.00 0.00 175.29 174.58 1nqg s TYR 522 N -0.44 3.06 -0.43 1.67 5.04 0.15 -0.15 117.35 126.26 1nqg s TYR 522 Ca 0.04 -1.29 -0.17 0.00 -2.44 0.00 0.00 57.07 53.22 1nqg s TYR 522 Cb -0.06 -2.11 0.03 0.00 0.35 0.00 0.00 41.96 40.17 1nqg s TYR 522 CO -0.00 -0.66 0.40 -0.51 -1.34 0.00 0.00 175.55 173.45 1nqg s LEU 523 N 1.40 4.99 0.00 6.97 1.43 0.21 -2.21 118.68 131.47 1nqg s LEU 523 Ca 0.02 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.18 1nqg s LEU 523 Cb -0.16 -2.31 0.22 0.00 0.03 0.00 0.00 46.19 43.97 1nqg s LEU 523 CO -0.03 -0.56 0.49 0.61 0.23 0.00 0.00 176.35 177.09 1nqg n GLY 524 N 5.13 -2.95 3.80 -3.19 0.00 -0.44 -1.05 105.19 106.48 1nqg n GLY 524 Ca -0.09 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1nqg n GLY 524 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nqg s THR 525 N -1.74 4.51 0.10 2.61 -1.32 -1.19 -4.30 115.64 114.30 1nqg s THR 525 Ca 0.38 1.47 0.05 0.00 -1.21 0.00 0.00 61.69 62.38 1nqg s THR 525 Cb -0.07 -4.00 -0.03 0.00 -1.51 0.00 0.00 72.50 66.89 1nqg s THR 525 CO 0.32 0.43 -0.13 0.00 -2.21 0.00 0.00 174.62 173.04 1nqg s ARG 526 N -1.40 0.90 -0.09 7.08 1.70 -0.77 -3.63 118.95 122.73 1nqg s ARG 526 Ca 0.37 -1.13 -0.06 0.00 -0.47 0.00 0.00 55.73 54.44 1nqg s ARG 526 Cb -0.20 -0.74 -0.04 0.00 -0.57 0.00 0.00 34.95 33.39 1nqg s ARG 526 CO 0.23 0.14 0.14 0.71 -1.08 0.00 0.00 175.30 175.44 1nqg s TYR 527 N -2.01 3.57 0.00 5.89 1.51 -1.26 0.73 117.35 125.78 1nqg s TYR 527 Ca 0.05 0.47 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 1nqg s TYR 527 Cb -0.06 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1nqg s TYR 527 CO 0.02 0.71 0.00 -3.47 -1.11 0.00 0.00 175.55 171.69 1nqg n ASP 528 N 1.74 0.00 -4.15 2.29 -0.08 0.13 -1.82 116.55 114.66 1nqg n ASP 528 Ca -0.18 -0.42 -0.17 0.00 -1.51 0.00 0.00 54.79 52.51 1nqg n ASP 528 Cb 0.54 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.89 1nqg n ASP 528 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1nqg s LYS 529 N -0.27 0.76 -0.46 -0.67 1.02 -1.26 0.19 119.74 119.05 1nqg s LYS 529 Ca 0.00 -0.94 -0.11 0.00 0.02 0.00 0.00 55.97 54.94 1nqg s LYS 529 Cb 0.00 -0.69 0.10 0.00 -0.52 0.00 0.00 37.83 36.72 1nqg s LYS 529 CO 0.00 0.15 0.35 0.34 -0.92 0.00 0.00 175.35 175.27 1nqg s ASP 530 N -1.78 5.82 0.05 2.83 -1.08 0.15 -4.77 116.67 117.89 1nqg s ASP 530 Ca -0.03 -1.67 0.23 0.00 -0.52 0.00 0.00 52.55 50.56 1nqg s ASP 530 Cb -0.09 -2.06 -0.02 0.00 -1.46 0.00 0.00 42.92 39.29 1nqg s ASP 530 CO 0.02 -0.66 0.95 -1.22 0.52 0.00 0.00 175.17 174.78 1nqg n TYR 531 N 5.01 0.27 -0.41 -5.34 4.01 -1.26 -3.63 117.16 115.82 1nqg n TYR 531 Ca -0.10 0.08 0.34 0.00 -0.16 0.00 0.00 57.90 58.06 1nqg n TYR 531 Cb 0.42 -0.46 0.58 0.00 -0.31 0.00 0.00 39.34 39.56 1nqg n TYR 531 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1nqg n SER 532 N -2.03 0.17 -3.69 7.72 3.41 -1.17 -3.95 113.62 114.08 1nqg n SER 532 Ca 0.01 1.15 -0.14 0.00 -0.26 0.00 0.00 58.87 59.63 1nqg n SER 532 Cb 0.46 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.75 1nqg n SER 532 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nqg s SER 533 N -4.30 -0.53 0.32 4.04 1.04 -1.24 -4.22 113.70 108.81 1nqg s SER 533 Ca -0.06 1.00 -0.13 0.00 0.48 0.00 0.00 55.95 57.23 1nqg s SER 533 Cb 0.26 1.01 -0.08 0.00 0.10 0.00 0.00 66.02 67.31 1nqg s SER 533 CO 0.69 -0.21 0.72 -0.47 0.98 0.00 0.00 173.24 174.95 1nqg s TYR 534 N 0.14 3.39 0.77 5.02 6.14 -1.26 -3.52 117.35 128.03 1nqg s TYR 534 Ca -0.01 1.14 -0.13 0.00 0.64 0.00 0.00 57.07 58.71 1nqg s TYR 534 Cb -0.04 -2.48 0.18 0.00 0.42 0.00 0.00 41.96 40.05 1nqg s TYR 534 CO 0.01 0.08 0.89 -2.30 0.64 0.00 0.00 175.55 174.88 1nqg n PRO 535 N -0.49 -1.55 -3.51 4.97 -0.02 -1.26 -5.05 135.00 128.08 1nqg n PRO 535 Ca 0.03 -1.39 -0.42 0.00 -2.02 0.00 0.00 63.50 59.70 1nqg n PRO 535 Cb 0.53 -1.06 -0.10 0.00 -0.02 0.00 0.00 33.50 32.85 1nqg n PRO 535 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1nqg s TYR 536 N -2.83 3.24 0.18 6.00 4.12 -1.23 -4.96 117.35 121.87 1nqg s TYR 536 Ca 0.53 -0.68 -0.11 0.00 0.02 0.00 0.00 57.07 56.82 1nqg s TYR 536 Cb -0.03 -2.53 -0.07 0.00 -1.52 0.00 0.00 41.96 37.81 1nqg s TYR 536 CO 0.38 -0.59 0.53 -0.65 0.02 0.00 0.00 175.55 175.25 1nqg s GLN 537 N 1.64 3.86 0.22 -0.62 -0.21 -1.24 -4.78 119.66 118.53 1nqg s GLN 537 Ca 0.04 0.34 -0.30 0.00 0.02 0.00 0.00 55.36 55.47 1nqg s GLN 537 Cb -0.19 -2.80 -0.08 0.00 1.00 0.00 0.00 33.01 30.94 1nqg s GLN 537 CO 0.09 0.41 1.04 0.95 -2.12 0.00 0.00 175.29 175.66 1nqg s THR 538 N -1.63 3.88 0.01 -0.19 -4.23 -1.25 0.30 115.64 112.52 1nqg s THR 538 Ca 0.42 1.75 0.07 0.00 -1.18 0.00 0.00 61.69 62.75 1nqg s THR 538 Cb -0.13 -4.12 -0.02 0.00 1.34 0.00 0.00 72.50 69.57 1nqg s THR 538 CO 0.20 0.36 -0.21 0.54 -0.54 0.00 0.00 174.62 174.97 1nqg s VAL 539 N -0.72 1.69 -0.36 2.29 0.11 0.13 -4.91 120.40 118.62 1nqg s VAL 539 Ca 0.46 -1.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.31 1nqg s VAL 539 Cb -0.29 -1.43 -0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1nqg s VAL 539 CO 0.35 0.36 0.35 -0.75 -3.33 0.00 0.00 175.10 172.08 1nqg s LYS 540 N -0.80 3.42 -0.13 1.54 2.20 -1.26 -0.69 119.74 124.02 1nqg s LYS 540 Ca 0.08 -0.57 -0.20 0.00 -0.36 0.00 0.00 55.97 54.92 1nqg s LYS 540 Cb -0.08 -3.85 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 1nqg s LYS 540 CO 0.00 -0.59 0.56 -1.64 -0.36 0.00 0.00 175.35 173.33 1nqg s MET 541 N 1.96 4.33 0.09 4.03 -1.94 0.22 -4.95 119.30 123.04 1nqg s MET 541 Ca 0.10 0.58 -0.35 0.00 -1.71 0.00 0.00 55.69 54.31 1nqg s MET 541 Cb -0.17 -3.48 -0.16 0.00 2.01 0.00 0.00 34.83 33.03 1nqg s MET 541 CO 0.12 0.03 1.56 0.78 -0.01 0.00 0.00 175.02 177.50 1nqg h GLY 542 N 7.12 -1.21 0.00 -0.03 0.00 -1.91 -2.05 103.07 105.00 1nqg h GLY 542 Ca -0.39 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1nqg h GLY 542 CO 0.76 -0.33 0.00 0.61 0.00 0.00 0.00 176.54 177.57 1nqg n GLY 543 N -1.54 2.65 3.32 4.60 0.00 -1.26 -3.14 105.19 109.81 1nqg n GLY 543 Ca -0.11 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 1nqg n GLY 543 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nqg s VAL 544 N -2.22 0.00 -0.10 1.61 -7.23 -0.22 -4.92 120.40 107.33 1nqg s VAL 544 Ca 0.00 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1nqg s VAL 544 Cb 0.00 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1nqg s VAL 544 CO 0.00 0.00 -0.08 -0.44 -0.31 0.00 0.00 175.10 174.27 1nqg s SER 545 N -3.37 4.48 0.15 4.85 0.01 -1.26 0.66 113.70 119.23 1nqg s SER 545 Ca 0.40 -0.12 0.10 0.00 1.31 0.00 0.00 55.95 57.63 1nqg s SER 545 Cb 0.02 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 1nqg s SER 545 CO 0.28 0.28 -0.22 -0.76 0.41 0.00 0.00 173.24 173.23 1nqg s LEU 546 N -0.33 2.39 -0.02 2.44 1.43 0.79 -4.94 118.68 120.44 1nqg s LEU 546 Ca 0.04 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1nqg s LEU 546 Cb -0.13 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.10 1nqg s LEU 546 CO 0.02 0.08 0.03 0.26 0.23 0.00 0.00 176.35 176.97 1nqg s TRP 547 N -1.55 0.05 0.11 0.29 0.52 -1.26 -0.82 118.94 116.28 1nqg s TRP 547 Ca 0.15 0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.47 1nqg s TRP 547 Cb -0.08 -0.24 -0.04 0.00 -1.15 0.00 0.00 33.47 31.96 1nqg s TRP 547 CO 0.07 -0.09 -0.21 -0.51 0.02 0.00 0.00 176.95 176.23 1nqg s ASP 548 N 1.04 2.59 -0.03 2.95 1.01 -0.50 0.84 116.67 124.58 1nqg s ASP 548 Ca -0.09 -0.70 0.05 0.00 0.71 0.00 0.00 52.55 52.52 1nqg s ASP 548 Cb -0.13 -0.14 -0.01 0.00 1.01 0.00 0.00 42.92 43.65 1nqg s ASP 548 CO -0.03 0.06 -0.17 -0.22 0.21 0.00 0.00 175.17 175.03 1nqg s LEU 549 N -1.96 1.97 0.04 1.23 2.96 0.15 -1.48 118.68 121.59 1nqg s LEU 549 Ca 0.07 -0.32 -0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1nqg s LEU 549 Cb -0.10 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1nqg s LEU 549 CO 0.04 0.18 -0.04 0.00 -1.32 0.00 0.00 176.35 175.22 1nqg s ALA 550 N -0.19 0.35 -0.13 5.97 0.00 0.24 -0.76 121.76 127.24 1nqg s ALA 550 Ca 0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 50.96 1nqg s ALA 550 Cb -0.09 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1nqg s ALA 550 CO 0.01 -0.23 0.39 0.14 0.00 0.00 0.00 175.76 176.07 1nqg s VAL 551 N -2.50 0.01 0.14 0.00 -7.23 -1.04 -1.56 120.40 108.22 1nqg s VAL 551 Ca -0.05 -0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.09 1nqg s VAL 551 Cb -0.02 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1nqg s VAL 551 CO -0.04 -0.03 -0.09 0.00 -0.31 0.00 0.00 175.10 174.62 1nqg s ALA 552 N -0.03 1.36 -0.26 1.32 0.00 -0.89 -1.34 121.76 121.93 1nqg s ALA 552 Ca -0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 51.96 50.36 1nqg s ALA 552 Cb -0.03 0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.27 1nqg s ALA 552 CO 0.01 -0.13 0.59 -0.47 0.00 0.00 0.00 175.76 175.77 1nqg s TYR 553 N -3.39 -1.07 -0.71 0.00 5.04 -0.67 -1.17 117.35 115.37 1nqg s TYR 553 Ca 0.16 2.00 -0.26 0.00 -2.44 0.00 0.00 57.07 56.52 1nqg s TYR 553 Cb 0.03 0.60 0.04 0.00 0.35 0.00 0.00 41.96 42.97 1nqg s TYR 553 CO -0.00 -0.55 1.23 -2.14 -1.34 0.00 0.00 175.55 172.74 1nqg s PRO 554 N 2.24 3.20 0.24 4.97 0.02 -1.26 -1.54 135.00 142.87 1nqg s PRO 554 Ca -0.07 -0.29 -0.07 0.00 0.02 0.00 0.00 61.00 60.60 1nqg s PRO 554 Cb -0.09 -4.17 0.26 0.00 0.02 0.00 0.00 34.50 30.52 1nqg s PRO 554 CO -0.17 -2.06 1.89 0.28 -0.33 0.00 0.00 177.00 176.61 1nqg h VAL 555 N 6.03 1.18 0.00 3.83 2.07 -1.55 -3.45 116.25 124.36 1nqg h VAL 555 Ca -0.28 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1nqg h VAL 555 Cb 1.05 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1nqg h VAL 555 CO 1.26 0.21 0.00 0.35 0.02 0.00 0.00 177.57 179.41 1nqg n THR 556 N -4.50 0.00 -0.07 2.57 -2.24 -1.08 -4.97 114.28 103.99 1nqg n THR 556 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1nqg n THR 556 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1nqg n THR 556 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nqg n SER 557 N 0.00 0.00 -0.08 3.42 3.41 -1.26 -4.87 113.62 114.24 1nqg n SER 557 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 1nqg n SER 557 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1nqg n SER 557 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nqg n HIS 558 N 0.00 0.00 -3.48 7.33 8.25 -1.26 -4.93 115.22 121.12 1nqg n HIS 558 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1nqg n HIS 558 Cb 0.00 -0.68 -0.07 0.00 1.12 0.00 0.00 29.99 30.37 1nqg n HIS 558 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1nqg s LEU 559 N -5.55 4.25 -0.09 2.41 0.20 -1.26 -1.69 118.68 116.95 1nqg s LEU 559 Ca -0.16 0.59 0.02 0.00 0.69 0.00 0.00 54.13 55.27 1nqg s LEU 559 Cb 0.05 -2.45 0.01 0.00 -0.43 0.00 0.00 46.19 43.37 1nqg s LEU 559 CO 0.48 0.08 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.58 1nqg s THR 560 N 0.48 1.37 -0.09 3.68 2.01 -0.72 -1.26 115.64 121.10 1nqg s THR 560 Ca 0.19 -0.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1nqg s THR 560 Cb -0.13 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 1nqg s THR 560 CO 0.05 0.41 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.70 1nqg s VAL 561 N 0.79 4.28 0.26 3.82 1.01 -0.59 -1.93 120.40 128.04 1nqg s VAL 561 Ca -0.11 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1nqg s VAL 561 Cb -0.16 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1nqg s VAL 561 CO 0.02 0.60 0.10 -0.13 0.00 0.00 0.00 175.10 175.69 1nqg s ARG 562 N -0.85 1.40 0.21 2.72 0.52 0.12 -1.68 118.95 121.40 1nqg s ARG 562 Ca 0.13 -1.76 -0.16 0.00 -0.52 0.00 0.00 55.73 53.42 1nqg s ARG 562 Cb -0.11 -0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.16 1nqg s ARG 562 CO 0.02 -0.31 0.51 0.20 0.02 0.00 0.00 175.30 175.74 1nqg s GLY 563 N -3.30 0.07 -0.11 -3.53 0.00 -0.45 -0.46 107.32 99.54 1nqg s GLY 563 Ca 0.38 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1nqg s GLY 563 CO 0.14 -0.36 0.52 1.25 0.00 0.00 0.00 173.10 174.64 1nqg s LYS 564 N -3.91 0.76 -0.15 2.90 2.20 0.32 -2.50 119.74 119.36 1nqg s LYS 564 Ca 0.12 0.36 0.01 0.00 -0.36 0.00 0.00 55.97 56.11 1nqg s LYS 564 Cb -0.01 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.69 1nqg s LYS 564 CO 0.00 -0.18 -0.17 0.42 -0.36 0.00 0.00 175.35 175.06 1nqg s ILE 565 N -0.56 1.77 -0.09 5.43 1.01 0.06 -1.48 121.20 127.35 1nqg s ILE 565 Ca -0.07 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 1nqg s ILE 565 Cb -0.03 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 1nqg s ILE 565 CO 0.04 0.49 -0.01 0.00 0.00 0.00 0.00 174.94 175.46 1nqg s ALA 566 N 1.24 3.22 -0.84 9.38 0.00 0.79 0.33 121.76 135.88 1nqg s ALA 566 Ca 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1nqg s ALA 566 Cb -0.14 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 1nqg s ALA 566 CO -0.08 0.57 0.72 -1.71 0.00 0.00 0.00 175.76 175.25 1nqg n ASN 567 N 2.22 -6.85 0.03 0.00 4.05 -0.73 -1.21 115.26 112.78 1nqg n ASN 567 Ca -0.18 -0.42 -0.04 0.00 0.45 0.00 0.00 54.58 54.39 1nqg n ASN 567 Cb 0.53 -4.42 0.20 0.00 1.23 0.00 0.00 39.78 37.32 1nqg n ASN 567 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1nqg h LEU 568 N -0.12 0.44 0.00 1.20 5.85 0.20 -3.35 115.31 119.52 1nqg h LEU 568 Ca -0.27 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.23 1nqg h LEU 568 Cb 1.15 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 42.09 1nqg h LEU 568 CO 0.35 0.73 0.05 0.49 -0.34 0.00 0.00 178.44 179.72 1nqg n PHE 569 N -4.09 -3.84 -2.76 1.25 3.01 -1.26 -4.98 117.46 104.79 1nqg n PHE 569 Ca -0.01 -0.16 -0.29 0.00 1.01 0.00 0.00 57.45 58.00 1nqg n PHE 569 Cb 0.44 -0.14 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 1nqg n PHE 569 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nqg n ASP 570 N -3.14 5.06 -4.69 4.37 2.03 -1.26 -4.60 116.55 114.32 1nqg n ASP 570 Ca 0.02 -3.70 -0.42 0.00 0.52 0.00 0.00 54.79 51.21 1nqg n ASP 570 Cb 0.08 -0.64 -0.03 0.00 -0.72 0.00 0.00 41.12 39.81 1nqg n ASP 570 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1nqg s LYS 571 N -3.63 4.36 -0.21 -0.67 2.47 -1.26 -4.88 119.74 115.91 1nqg s LYS 571 Ca 0.48 1.66 -0.19 0.00 -1.56 0.00 0.00 55.97 56.36 1nqg s LYS 571 Cb 0.30 -3.55 -0.03 0.00 -1.46 0.00 0.00 37.83 33.09 1nqg s LYS 571 CO -0.16 -0.43 0.55 0.34 0.16 0.00 0.00 175.35 175.80 1nqg s ASP 572 N 1.45 6.57 0.30 1.43 -1.08 -1.26 -4.68 116.67 119.40 1nqg s ASP 572 Ca 0.56 0.69 -0.19 0.00 -0.52 0.00 0.00 52.55 53.08 1nqg s ASP 572 Cb -0.25 -2.30 0.02 0.00 -1.46 0.00 0.00 42.92 38.93 1nqg s ASP 572 CO 0.22 -0.23 0.71 -0.72 0.52 0.00 0.00 175.17 175.68 1nqg s TYR 573 N 1.85 -0.07 0.06 -5.34 -0.85 -1.26 -5.07 117.35 106.66 1nqg s TYR 573 Ca 0.25 -0.42 0.04 0.00 -0.52 0.00 0.00 57.07 56.41 1nqg s TYR 573 Cb -0.16 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1nqg s TYR 573 CO 0.10 -1.29 -0.12 -1.21 -1.52 0.00 0.00 175.55 171.52 1nqg s GLU 574 N -3.60 0.71 -0.01 -3.49 2.02 -1.26 -3.74 118.70 109.32 1nqg s GLU 574 Ca 0.13 -0.85 0.19 0.00 0.02 0.00 0.00 54.97 54.46 1nqg s GLU 574 Cb -0.05 -0.62 -0.22 0.00 0.10 0.00 0.00 34.13 33.33 1nqg s GLU 574 CO 0.08 0.13 0.71 0.25 0.02 0.00 0.00 175.26 176.46 1nqg n THR 575 N 1.43 0.00 -3.63 3.63 -2.24 -1.26 -4.77 114.28 107.43 1nqg n THR 575 Ca -0.21 -0.14 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 1nqg n THR 575 Cb 0.54 0.79 -0.17 0.00 -2.10 0.00 0.00 70.33 69.39 1nqg n THR 575 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nqg s VAL 576 N -2.89 -0.11 -0.23 2.28 1.01 -1.26 -4.61 120.40 114.59 1nqg s VAL 576 Ca 0.04 0.11 -0.37 0.00 0.00 0.00 0.00 61.98 61.76 1nqg s VAL 576 Cb 0.14 -0.38 -0.14 0.00 0.00 0.00 0.00 36.38 36.00 1nqg s VAL 576 CO 0.78 -0.06 1.87 0.00 0.00 0.00 0.00 175.10 177.68 1nqg n TYR 577 N 5.29 2.09 0.00 5.22 9.36 -1.26 -1.00 117.16 136.86 1nqg n TYR 577 Ca -0.05 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1nqg n TYR 577 Cb 0.49 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 1nqg n TYR 577 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nqg n GLY 578 N 4.65 1.11 3.37 2.98 0.00 -1.26 -4.88 105.19 111.16 1nqg n GLY 578 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1nqg n GLY 578 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqg s TYR 579 N -2.27 3.20 0.23 1.61 1.51 -0.17 -1.51 117.35 119.96 1nqg s TYR 579 Ca 0.00 -0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 54.84 1nqg s TYR 579 Cb 0.00 -2.34 -0.10 0.00 -0.11 0.00 0.00 41.96 39.41 1nqg s TYR 579 CO 0.00 -0.58 1.49 -1.14 -1.11 0.00 0.00 175.55 174.21 1nqg s GLN 580 N 1.54 4.23 0.59 -0.62 0.74 -1.21 -4.58 119.66 120.35 1nqg s GLN 580 Ca 0.02 2.36 -0.03 0.00 0.05 0.00 0.00 55.36 57.76 1nqg s GLN 580 Cb -0.18 -3.11 0.03 0.00 1.10 0.00 0.00 33.01 30.85 1nqg s GLN 580 CO 0.05 -0.50 0.86 0.95 -0.55 0.00 0.00 175.29 176.11 1nqg s THR 581 N 0.27 3.09 0.04 -0.34 -4.23 -1.25 -4.31 115.64 108.92 1nqg s THR 581 Ca 0.62 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1nqg s THR 581 Cb -0.43 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1nqg s THR 581 CO 0.41 -0.20 1.18 0.00 -0.54 0.00 0.00 174.62 175.47 1nqg h ALA 582 N -0.14 -0.55 0.00 3.99 0.00 -1.90 -3.48 119.26 117.19 1nqg h ALA 582 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1nqg h ALA 582 Cb 1.28 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1nqg h ALA 582 CO 0.58 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.62 1nqg n GLY 583 N -1.14 -2.14 3.64 0.00 0.00 -1.26 -4.93 105.19 99.36 1nqg n GLY 583 Ca -0.02 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1nqg n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqg s ARG 584 N -0.19 4.12 0.11 1.61 3.52 -1.26 -4.65 118.95 122.21 1nqg s ARG 584 Ca 0.00 0.94 0.07 0.00 -0.13 0.00 0.00 55.73 56.62 1nqg s ARG 584 Cb 0.00 -3.68 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1nqg s ARG 584 CO 0.00 -0.64 -0.11 -1.21 -0.81 0.00 0.00 175.30 172.53 1nqg s GLU 585 N 3.07 2.06 0.04 5.12 2.02 -0.35 -4.95 118.70 125.71 1nqg s GLU 585 Ca 0.37 -1.06 0.03 0.00 0.02 0.00 0.00 54.97 54.33 1nqg s GLU 585 Cb -0.14 -2.27 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1nqg s GLU 585 CO 0.10 0.50 -0.00 0.71 0.02 0.00 0.00 175.26 176.59 1nqg s TYR 586 N -1.22 3.03 -0.11 1.61 1.51 -1.26 -0.15 117.35 120.76 1nqg s TYR 586 Ca 0.21 0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.20 1nqg s TYR 586 Cb -0.11 -1.61 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1nqg s TYR 586 CO 0.13 0.46 0.31 0.99 -1.11 0.00 0.00 175.55 176.33 1nqg s THR 587 N -1.18 -0.00 -0.04 -0.71 2.01 -0.55 -1.58 115.64 113.59 1nqg s THR 587 Ca 0.22 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.24 1nqg s THR 587 Cb -0.12 -0.43 0.01 0.00 0.01 0.00 0.00 72.50 71.98 1nqg s THR 587 CO 0.14 0.00 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.78 1nqg s LEU 588 N 0.20 1.56 0.18 4.42 1.98 -0.59 -0.52 118.68 125.91 1nqg s LEU 588 Ca -0.00 -0.16 -0.10 0.00 -2.89 0.00 0.00 54.13 50.98 1nqg s LEU 588 Cb -0.02 -0.51 -0.01 0.00 0.66 0.00 0.00 46.19 46.31 1nqg s LEU 588 CO 0.00 0.00 0.32 -0.55 -1.89 0.00 0.00 176.35 174.23 1nqg s SER 589 N 0.58 0.01 0.18 3.68 0.15 0.39 -1.00 113.70 117.69 1nqg s SER 589 Ca -0.09 -0.89 -0.16 0.00 0.70 0.00 0.00 55.95 55.52 1nqg s SER 589 Cb -0.12 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 1nqg s SER 589 CO 0.01 -0.94 0.47 -0.83 1.20 0.00 0.00 173.24 173.15 1nqg s GLY 590 N -2.98 -0.03 -0.05 9.45 0.00 -0.84 0.15 107.32 113.01 1nqg s GLY 590 Ca 0.19 -0.30 -0.18 0.00 0.00 0.00 0.00 44.72 44.42 1nqg s GLY 590 CO 0.02 -0.35 0.41 -0.56 0.00 0.00 0.00 173.10 172.62 1nqg s SER 591 N -2.88 -0.34 -0.23 1.64 0.01 -0.81 -2.14 113.70 108.95 1nqg s SER 591 Ca 0.10 0.39 -0.04 0.00 1.31 0.00 0.00 55.95 57.71 1nqg s SER 591 Cb -0.00 0.49 0.08 0.00 0.21 0.00 0.00 66.02 66.79 1nqg s SER 591 CO -0.03 -0.41 0.08 -0.47 0.41 0.00 0.00 173.24 172.82 1nqg s TYR 592 N -0.96 0.67 -0.17 2.43 6.14 0.20 -1.76 117.35 123.90 1nqg s TYR 592 Ca -0.10 -0.80 -0.13 0.00 0.64 0.00 0.00 57.07 56.68 1nqg s TYR 592 Cb -0.04 -0.97 -0.05 0.00 0.42 0.00 0.00 41.96 41.32 1nqg s TYR 592 CO 0.05 -0.67 0.25 0.99 0.64 0.00 0.00 175.55 176.81 1nqg s THR 593 N 1.98 5.33 0.00 4.34 2.01 -0.68 -1.71 115.64 126.90 1nqg s THR 593 Ca 0.04 0.46 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1nqg s THR 593 Cb -0.16 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1nqg s THR 593 CO -0.18 0.41 0.00 2.22 -0.69 0.00 0.00 174.62 176.38