#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqo s VAL 1 N 0.00 5.07 -0.14 0.00 0.11 -0.72 -4.90 120.40 119.82 1nqo s VAL 1 Ca 0.00 0.91 -0.26 0.00 -2.93 0.00 0.00 61.98 59.70 1nqo s VAL 1 Cb 0.00 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1nqo s VAL 1 CO 0.00 0.47 0.83 -0.54 -3.33 0.00 0.00 175.10 172.53 1nqo s LYS 2 N -0.35 4.34 0.06 1.54 1.02 -1.26 -0.68 119.74 124.41 1nqo s LYS 2 Ca 0.25 1.05 0.09 0.00 0.02 0.00 0.00 55.97 57.37 1nqo s LYS 2 Cb -0.16 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1nqo s LYS 2 CO 0.12 -0.25 -0.24 0.08 -0.92 0.00 0.00 175.35 174.14 1nqo s VAL 3 N 1.87 2.32 0.04 3.17 1.01 0.17 -1.22 120.40 127.76 1nqo s VAL 3 Ca 0.40 -1.41 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1nqo s VAL 3 Cb -0.17 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1nqo s VAL 3 CO 0.15 0.31 -0.24 -0.83 0.00 0.00 0.00 175.10 174.49 1nqo s GLY 4 N -1.43 1.27 -0.17 4.51 0.00 -0.56 -1.22 107.32 109.72 1nqo s GLY 4 Ca 0.13 -1.17 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 1nqo s GLY 4 CO 0.04 -1.07 -0.10 -0.42 0.00 0.00 0.00 173.10 171.54 1nqo s ILE 5 N -0.80 3.07 -0.39 0.90 1.01 -0.17 -1.05 121.20 123.77 1nqo s ILE 5 Ca 0.10 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1nqo s ILE 5 Cb -0.09 -2.33 0.04 0.00 0.01 0.00 0.00 42.46 40.08 1nqo s ILE 5 CO 0.02 0.49 0.23 0.21 0.00 0.00 0.00 174.94 175.89 1nqo s ASN 6 N 0.88 5.75 0.00 3.58 2.47 -0.08 -0.33 114.94 127.21 1nqo s ASN 6 Ca -0.03 -1.12 0.00 0.00 0.42 0.00 0.00 52.86 52.14 1nqo s ASN 6 Cb -0.15 -2.03 0.00 0.00 -1.45 0.00 0.00 41.25 37.62 1nqo s ASN 6 CO 0.00 -0.43 0.00 0.61 -3.72 0.00 0.00 177.10 173.56 1nqo n GLY 7 N 5.00 0.29 2.57 1.21 0.00 0.79 -0.71 105.19 114.34 1nqo n GLY 7 Ca -0.11 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1nqo n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqo n PHE 8 N 0.00 2.76 -0.17 1.61 7.35 -1.19 -3.87 117.46 123.95 1nqo n PHE 8 Ca 0.00 -2.89 0.00 0.00 -0.76 0.00 0.00 57.45 53.80 1nqo n PHE 8 Cb 0.00 -2.10 0.00 0.00 0.35 0.00 0.00 39.48 37.73 1nqo n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nqo n GLY 9 N 2.70 3.46 0.09 7.13 0.00 -1.26 -4.48 105.19 112.83 1nqo n GLY 9 Ca 0.59 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1nqo n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nqo h ARG 10 N 0.00 0.05 0.05 1.61 2.47 -1.92 0.28 114.38 116.92 1nqo h ARG 10 Ca 0.00 -0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1nqo h ARG 10 Cb 0.00 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1nqo h ARG 10 CO 0.00 0.03 -0.61 0.82 0.56 0.00 0.00 179.97 180.77 1nqo h ILE 11 N 0.05 1.49 -0.21 2.04 1.08 -1.90 -2.95 117.51 117.11 1nqo h ILE 11 Ca 0.07 -2.24 0.06 0.00 -0.39 0.00 0.00 64.86 62.36 1nqo h ILE 11 Cb 0.08 2.87 -0.06 0.00 -3.07 0.00 0.00 36.82 36.64 1nqo h ILE 11 CO -0.11 0.64 -0.19 1.23 -0.69 0.00 0.00 178.15 179.02 1nqo h GLY 12 N -0.28 -0.09 1.69 5.37 0.00 -1.63 0.26 103.07 108.38 1nqo h GLY 12 Ca -0.09 0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1nqo h GLY 12 CO 0.12 -0.18 -0.30 3.21 0.00 0.00 0.00 176.54 179.39 1nqo h ARG 13 N -0.21 0.36 -0.16 4.80 3.08 -0.57 -2.00 114.38 119.69 1nqo h ARG 13 Ca 0.13 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 1nqo h ARG 13 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1nqo h ARG 13 CO -0.33 0.63 -0.54 -0.91 -1.07 0.00 0.00 179.97 177.74 1nqo h ASN 14 N 0.32 0.52 -0.74 7.04 -0.26 -1.21 -1.74 115.58 119.50 1nqo h ASN 14 Ca 0.04 -0.28 -0.06 0.00 -0.56 0.00 0.00 56.30 55.45 1nqo h ASN 14 Cb 0.69 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.76 1nqo h ASN 14 CO 0.05 0.96 0.25 0.58 -1.06 0.00 0.00 177.43 178.21 1nqo h VAL 15 N 0.36 1.26 -0.36 2.81 2.07 -0.25 -0.71 116.25 121.44 1nqo h VAL 15 Ca 0.01 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1nqo h VAL 15 Cb 1.07 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1nqo h VAL 15 CO 0.10 0.35 0.22 0.15 0.02 0.00 0.00 177.57 178.41 1nqo h PHE 16 N 1.11 0.48 -0.65 1.57 3.04 -1.06 0.90 116.94 122.32 1nqo h PHE 16 Ca 0.24 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1nqo h PHE 16 Cb 0.29 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 1nqo h PHE 16 CO 0.02 0.34 0.30 0.00 -2.02 0.00 0.00 178.31 176.95 1nqo h ARG 17 N 0.47 0.95 -0.53 1.11 3.08 -0.90 -2.18 114.38 116.38 1nqo h ARG 17 Ca 0.13 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1nqo h ARG 17 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1nqo h ARG 17 CO -0.02 0.77 0.03 0.00 -1.07 0.00 0.00 179.97 179.67 1nqo h ALA 18 N 1.13 1.06 0.00 0.04 0.00 -0.82 -2.57 119.26 118.10 1nqo h ALA 18 Ca 0.22 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nqo h ALA 18 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nqo h ALA 18 CO -0.03 0.60 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1nqo h ALA 19 N 1.21 1.31 0.00 0.00 0.00 -0.37 -2.28 119.26 119.13 1nqo h ALA 19 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nqo h ALA 19 Cb 0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nqo h ALA 19 CO 0.02 0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.38 1nqo h LEU 20 N 0.00 0.00 0.00 0.00 3.38 -0.97 -2.31 115.31 115.41 1nqo h LEU 20 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 1nqo h LEU 20 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1nqo h LEU 20 CO 0.03 0.06 -0.91 0.11 0.09 0.00 0.00 178.44 177.82 1nqo h LYS 21 N 0.00 0.00 -4.76 1.13 1.57 -1.50 -3.44 116.57 109.56 1nqo h LYS 21 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1nqo h LYS 21 Cb 0.20 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.33 1nqo h LYS 21 CO 0.01 0.17 -0.40 1.21 -0.57 0.00 0.00 179.45 179.87 1nqo s ASN 22 N -5.78 6.11 0.35 0.86 3.84 -0.87 -4.95 114.94 114.49 1nqo s ASN 22 Ca 0.01 -0.45 0.27 0.00 0.21 0.00 0.00 52.86 52.89 1nqo s ASN 22 Cb 0.08 -2.16 1.01 0.00 -0.55 0.00 0.00 41.25 39.63 1nqo s ASN 22 CO 0.77 -0.32 1.79 1.55 -2.79 0.00 0.00 177.10 178.11 1nqo h PRO 23 N 8.52 0.00 -0.00 0.43 0.13 -1.86 -3.11 132.00 136.10 1nqo h PRO 23 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1nqo h PRO 23 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1nqo h PRO 23 CO 0.67 0.00 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.08 1nqo n ASP 24 N -2.55 0.36 -4.01 1.44 8.00 -1.26 -2.78 116.55 115.75 1nqo n ASP 24 Ca 0.02 -0.36 -0.21 0.00 0.71 0.00 0.00 54.79 54.95 1nqo n ASP 24 Cb 0.31 -0.12 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 1nqo n ASP 24 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nqo s ILE 25 N -2.60 0.88 -0.08 0.53 -5.25 -1.18 -1.76 121.20 111.75 1nqo s ILE 25 Ca 0.25 -0.40 0.00 0.00 -0.99 0.00 0.00 60.65 59.52 1nqo s ILE 25 Cb 0.20 -0.79 0.02 0.00 2.95 0.00 0.00 42.46 44.84 1nqo s ILE 25 CO 0.50 0.28 -0.06 -0.70 -1.79 0.00 0.00 174.94 173.17 1nqo s GLU 26 N 0.29 1.19 -0.43 0.37 2.12 0.15 -4.68 118.70 117.71 1nqo s GLU 26 Ca -0.05 -0.17 -0.26 0.00 0.36 0.00 0.00 54.97 54.85 1nqo s GLU 26 Cb -0.10 -1.22 0.02 0.00 0.26 0.00 0.00 34.13 33.09 1nqo s GLU 26 CO 0.01 -0.16 0.94 0.08 -0.54 0.00 0.00 175.26 175.59 1nqo s VAL 27 N 1.33 4.49 -0.25 3.70 1.01 -1.26 0.43 120.40 129.85 1nqo s VAL 27 Ca -0.03 0.92 0.22 0.00 0.00 0.00 0.00 61.98 63.08 1nqo s VAL 27 Cb -0.14 -4.41 -0.31 0.00 0.00 0.00 0.00 36.38 31.53 1nqo s VAL 27 CO -0.03 -0.75 0.59 1.33 0.00 0.00 0.00 175.10 176.25 1nqo n VAL 28 N 6.30 0.02 -3.59 2.92 0.24 -0.36 -4.89 118.33 118.97 1nqo n VAL 28 Ca 0.07 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.34 61.81 1nqo n VAL 28 Cb 0.48 0.21 -0.07 0.00 -1.47 0.00 0.00 33.84 32.99 1nqo n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqo s ALA 29 N -3.40 -1.54 0.07 2.33 0.00 -1.24 -1.77 121.76 116.22 1nqo s ALA 29 Ca -0.04 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.19 1nqo s ALA 29 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1nqo s ALA 29 CO 0.90 -0.33 -0.13 0.14 0.00 0.00 0.00 175.76 176.33 1nqo s VAL 30 N -0.90 1.02 -0.01 0.00 -7.23 -0.20 -1.00 120.40 112.08 1nqo s VAL 30 Ca -0.09 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 1nqo s VAL 30 Cb -0.02 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1nqo s VAL 30 CO 0.07 -0.29 -0.12 0.21 -0.31 0.00 0.00 175.10 174.66 1nqo s ASN 31 N -1.81 1.40 0.00 4.85 2.47 0.55 -0.72 114.94 121.67 1nqo s ASN 31 Ca -0.02 -0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.03 1nqo s ASN 31 Cb -0.09 -0.15 0.00 0.00 -1.45 0.00 0.00 41.25 39.56 1nqo s ASN 31 CO 0.02 0.14 0.00 -0.67 -3.72 0.00 0.00 177.10 172.87 1nqo n ASP 32 N 2.74 0.00 -0.91 -4.21 -0.08 -0.83 -0.15 116.55 113.12 1nqo n ASP 32 Ca -0.14 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.15 1nqo n ASP 32 Cb 0.56 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.22 1nqo n ASP 32 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nqo n LEU 33 N 0.00 3.60 0.00 -2.67 4.77 -1.26 -3.80 117.00 117.64 1nqo n LEU 33 Ca 0.00 -3.68 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 1nqo n LEU 33 Cb 0.00 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1nqo n LEU 33 CO 0.00 1.20 0.00 1.07 -1.33 0.00 0.00 177.39 178.33 1nqo n THR 34 N -1.09 0.00 -2.76 -5.08 5.66 -1.26 -5.10 114.28 104.65 1nqo n THR 34 Ca 0.27 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.07 1nqo n THR 34 Cb 0.90 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.73 1nqo n THR 34 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1nqo s ASP 36 N -0.89 5.12 0.27 1.09 1.47 -1.26 -4.73 116.67 117.73 1nqo s ASP 36 Ca 0.00 -0.31 -0.03 0.00 1.18 0.00 0.00 52.55 53.39 1nqo s ASP 36 Cb 0.00 -0.45 0.35 0.00 -0.34 0.00 0.00 42.92 42.48 1nqo s ASP 36 CO 0.00 -1.26 1.85 0.00 0.68 0.00 0.00 175.17 176.44 1nqo h ALA 37 N 0.07 1.22 -0.53 2.11 0.00 -1.91 -2.44 119.26 117.78 1nqo h ALA 37 Ca -0.38 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1nqo h ALA 37 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1nqo h ALA 37 CO 0.46 0.58 0.33 -0.91 0.00 0.00 0.00 179.25 179.70 1nqo h ASN 38 N 0.98 0.54 -0.31 0.00 -0.26 -1.94 0.17 115.58 114.75 1nqo h ASN 38 Ca 0.23 -0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.93 1nqo h ASN 38 Cb 0.17 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1nqo h ASN 38 CO -0.02 0.38 0.05 0.74 -1.06 0.00 0.00 177.43 177.52 1nqo h THR 39 N 0.65 1.23 -0.67 2.81 2.02 -1.90 -1.60 112.91 115.45 1nqo h THR 39 Ca 0.21 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 1nqo h THR 39 Cb -0.01 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1nqo h THR 39 CO -0.08 0.27 0.13 -0.07 0.37 0.00 0.00 175.52 176.14 1nqo h LEU 40 N 0.35 1.02 -0.39 2.58 3.38 -1.23 -1.10 115.31 119.92 1nqo h LEU 40 Ca 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1nqo h LEU 40 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1nqo h LEU 40 CO 0.01 1.00 0.22 0.00 0.09 0.00 0.00 178.44 179.75 1nqo h ALA 41 N 1.12 0.50 -0.67 1.53 0.00 -0.54 -0.12 119.26 121.09 1nqo h ALA 41 Ca 0.21 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nqo h ALA 41 Cb 0.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1nqo h ALA 41 CO 0.01 0.02 0.41 1.25 0.00 0.00 0.00 179.25 180.94 1nqo h HIS 42 N 0.50 0.87 -0.22 0.00 -0.00 -0.95 -0.97 115.15 114.38 1nqo h HIS 42 Ca 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.41 1nqo h HIS 42 Cb 0.04 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1nqo h HIS 42 CO -0.03 0.58 -0.29 -0.07 -0.00 0.00 0.00 177.93 178.12 1nqo h LEU 43 N 0.90 0.44 -0.51 0.26 3.38 -0.94 -2.42 115.31 116.43 1nqo h LEU 43 Ca 0.24 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 1nqo h LEU 43 Cb -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1nqo h LEU 43 CO -0.05 0.72 -0.66 0.25 0.09 0.00 0.00 178.44 178.79 1nqo h LEU 44 N 0.38 0.40 -0.20 1.67 5.85 -0.56 -3.31 115.31 119.55 1nqo h LEU 44 Ca 0.05 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.41 1nqo h LEU 44 Cb 0.70 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1nqo h LEU 44 CO 0.05 0.95 -0.32 0.50 -0.34 0.00 0.00 178.44 179.28 1nqo h LYS 45 N 0.25 0.56 -4.85 1.25 3.11 -1.00 -3.39 116.57 112.50 1nqo h LYS 45 Ca -0.02 -0.34 -0.66 0.00 -2.81 0.00 0.00 60.65 56.82 1nqo h LYS 45 Cb 1.21 0.04 -0.37 0.00 -1.00 0.00 0.00 32.23 32.11 1nqo h LYS 45 CO 0.11 0.95 -0.81 0.71 -2.81 0.00 0.00 179.45 177.59 1nqo s TYR 46 N -4.12 3.00 -0.14 1.91 2.02 -0.93 -0.30 117.35 118.79 1nqo s TYR 46 Ca -0.13 -2.05 -0.03 0.00 -0.37 0.00 0.00 57.07 54.50 1nqo s TYR 46 Cb 0.07 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 1nqo s TYR 46 CO 0.81 -0.84 -0.05 0.34 -1.57 0.00 0.00 175.55 174.24 1nqo s ASP 47 N 1.20 4.69 0.44 2.29 2.15 -0.90 -4.71 116.67 121.83 1nqo s ASP 47 Ca -0.05 -0.14 0.19 0.00 0.43 0.00 0.00 52.55 52.99 1nqo s ASP 47 Cb -0.18 -1.69 1.03 0.00 -0.30 0.00 0.00 42.92 41.78 1nqo s ASP 47 CO -0.07 0.19 1.93 0.28 -0.17 0.00 0.00 175.17 177.33 1nqo h SER 48 N 6.52 0.00 0.01 -0.34 0.02 -1.94 -2.15 113.55 115.67 1nqo h SER 48 Ca -0.32 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.22 1nqo h SER 48 Cb 1.19 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.67 1nqo h SER 48 CO 0.61 0.24 -2.38 0.52 -1.14 0.00 0.00 176.83 174.68 1nqo n VAL 49 N -3.89 1.54 -0.11 2.27 0.31 -1.26 -4.66 118.33 112.52 1nqo n VAL 49 Ca -0.02 -0.46 0.11 0.00 -0.01 0.00 0.00 64.34 63.96 1nqo n VAL 49 Cb 0.33 -1.68 0.26 0.00 -0.91 0.00 0.00 33.84 31.85 1nqo n VAL 49 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1nqo n HIS 50 N -3.76 0.75 -2.25 3.52 8.25 -1.25 -5.01 115.22 115.47 1nqo n HIS 50 Ca -0.47 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 56.58 1nqo n HIS 50 Cb 0.93 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.04 1nqo n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqo n GLY 51 N 1.46 -2.20 3.75 -1.41 0.00 -0.81 -4.86 105.19 101.13 1nqo n GLY 51 Ca 0.21 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1nqo n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nqo s ARG 52 N -0.42 4.48 0.15 1.61 0.52 -1.26 -2.11 118.95 121.91 1nqo s ARG 52 Ca 0.00 1.98 -0.31 0.00 -0.52 0.00 0.00 55.73 56.88 1nqo s ARG 52 Cb 0.00 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 32.20 1nqo s ARG 52 CO 0.00 -0.06 1.48 -1.17 0.02 0.00 0.00 175.30 175.57 1nqo s LEU 53 N -0.94 4.37 -1.21 2.53 2.96 0.58 -4.91 118.68 122.07 1nqo s LEU 53 Ca 0.50 2.50 -0.14 0.00 -0.22 0.00 0.00 54.13 56.77 1nqo s LEU 53 Cb -0.35 -3.59 0.16 0.00 0.50 0.00 0.00 46.19 42.90 1nqo s LEU 53 CO 0.42 -0.74 1.46 -0.62 -1.32 0.00 0.00 176.35 175.55 1nqo s ASP 54 N 1.06 7.03 0.00 3.68 2.15 -1.26 -4.84 116.67 124.49 1nqo s ASP 54 Ca 0.67 -2.89 0.00 0.00 0.43 0.00 0.00 52.55 50.76 1nqo s ASP 54 Cb -0.41 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 1nqo s ASP 54 CO 0.32 -0.81 0.00 0.00 -0.17 0.00 0.00 175.17 174.50 1nqo n ALA 55 N 6.04 0.00 -2.28 3.66 0.00 -1.26 -5.11 120.51 121.56 1nqo n ALA 55 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1nqo n ALA 55 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1nqo n ALA 55 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqo s GLU 56 N -2.00 4.52 -0.05 0.00 0.41 -1.26 -4.88 118.70 115.44 1nqo s GLU 56 Ca 0.00 1.71 0.02 0.00 -0.41 0.00 0.00 54.97 56.29 1nqo s GLU 56 Cb 0.00 -3.32 0.02 0.00 -1.78 0.00 0.00 34.13 29.04 1nqo s GLU 56 CO 0.00 -0.07 -0.09 0.08 -0.49 0.00 0.00 175.26 174.68 1nqo s VAL 57 N 0.42 0.91 0.29 2.63 1.01 -1.26 -0.59 120.40 123.81 1nqo s VAL 57 Ca 0.53 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 62.07 1nqo s VAL 57 Cb -0.28 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1nqo s VAL 57 CO 0.32 0.30 0.50 -0.94 0.00 0.00 0.00 175.10 175.28 1nqo s SER 58 N 0.70 0.23 -0.04 3.32 1.04 -0.27 -4.99 113.70 113.70 1nqo s SER 58 Ca -0.13 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.24 1nqo s SER 58 Cb -0.15 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1nqo s SER 58 CO 0.02 -1.23 -0.25 -0.69 0.98 0.00 0.00 173.24 172.07 1nqo s VAL 59 N -3.56 2.13 -0.28 5.02 1.01 -1.26 -0.01 120.40 123.44 1nqo s VAL 59 Ca 0.25 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1nqo s VAL 59 Cb -0.01 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.71 1nqo s VAL 59 CO 0.13 0.58 0.07 0.21 0.00 0.00 0.00 175.10 176.09 1nqo s ASN 60 N -0.46 3.79 1.68 3.32 2.47 -0.06 -4.94 114.94 120.74 1nqo s ASN 60 Ca 0.05 -1.43 0.00 0.00 0.42 0.00 0.00 52.86 51.90 1nqo s ASN 60 Cb -0.11 -0.84 0.00 0.00 -1.45 0.00 0.00 41.25 38.84 1nqo s ASN 60 CO 0.01 -0.38 0.00 0.61 -3.72 0.00 0.00 177.10 173.62 1nqo n GLY 61 N 4.87 3.17 1.78 1.21 0.00 -1.26 -1.52 105.19 113.45 1nqo n GLY 61 Ca -0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1nqo n GLY 61 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nqo n ASN 62 N 7.46 3.95 -4.31 1.61 5.15 -1.26 -4.91 115.26 122.95 1nqo n ASN 62 Ca 0.00 -3.43 -0.20 0.00 -0.60 0.00 0.00 54.58 50.35 1nqo n ASN 62 Cb 0.00 -0.73 -0.11 0.00 -0.53 0.00 0.00 39.78 38.41 1nqo n ASN 62 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1nqo s ASN 63 N -1.52 2.50 0.32 1.20 0.02 -0.57 -2.49 114.94 114.39 1nqo s ASN 63 Ca 0.52 -0.88 -0.06 0.00 -1.02 0.00 0.00 52.86 51.42 1nqo s ASN 63 Cb 0.44 -0.13 -0.06 0.00 0.02 0.00 0.00 41.25 41.52 1nqo s ASN 63 CO 0.09 -0.09 0.61 -0.76 0.02 0.00 0.00 177.10 176.98 1nqo s LEU 64 N -2.73 4.00 -0.23 0.60 1.43 0.20 -0.88 118.68 121.07 1nqo s LEU 64 Ca 0.15 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.07 1nqo s LEU 64 Cb -0.05 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.58 1nqo s LEU 64 CO 0.06 -0.25 0.02 -0.69 0.23 0.00 0.00 176.35 175.72 1nqo s VAL 65 N -2.15 0.96 -0.26 -1.59 1.01 0.98 0.60 120.40 119.95 1nqo s VAL 65 Ca 0.46 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1nqo s VAL 65 Cb -0.11 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.88 1nqo s VAL 65 CO 0.30 -0.26 -0.06 -0.69 0.00 0.00 0.00 175.10 174.40 1nqo s VAL 66 N 1.64 2.76 -1.47 2.92 1.01 0.13 -1.12 120.40 126.28 1nqo s VAL 66 Ca -0.01 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 1nqo s VAL 66 Cb -0.18 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.77 1nqo s VAL 66 CO -0.10 0.08 0.91 0.59 0.00 0.00 0.00 175.10 176.58 1nqo n ASN 67 N 4.61 -3.89 0.00 3.32 3.02 0.24 -1.53 115.26 121.04 1nqo n ASN 67 Ca -0.15 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1nqo n ASN 67 Cb 0.45 -3.97 0.00 0.00 -0.61 0.00 0.00 39.78 35.65 1nqo n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqo n GLY 68 N -1.68 2.81 3.73 7.41 0.00 -1.26 -5.01 105.19 111.19 1nqo n GLY 68 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1nqo n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqo s LYS 69 N -0.18 4.42 -0.13 1.61 -0.14 -0.58 -5.04 119.74 119.70 1nqo s LYS 69 Ca 0.00 0.86 -0.19 0.00 -1.36 0.00 0.00 55.97 55.28 1nqo s LYS 69 Cb 0.00 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.70 1nqo s LYS 69 CO 0.00 0.17 0.54 -2.00 -0.76 0.00 0.00 175.35 173.29 1nqo s GLU 70 N 0.45 4.33 -0.21 1.68 2.12 -1.26 -0.69 118.70 125.11 1nqo s GLU 70 Ca 0.36 0.54 -0.03 0.00 0.36 0.00 0.00 54.97 56.20 1nqo s GLU 70 Cb -0.18 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.74 1nqo s GLU 70 CO 0.18 0.06 -0.08 0.42 -0.54 0.00 0.00 175.26 175.30 1nqo s ILE 71 N 0.92 3.04 0.20 -3.70 -1.09 0.20 -4.94 121.20 115.83 1nqo s ILE 71 Ca 0.28 -0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 57.79 1nqo s ILE 71 Cb -0.16 -2.37 -0.09 0.00 -1.58 0.00 0.00 42.46 38.27 1nqo s ILE 71 CO 0.12 0.45 1.36 -0.63 -1.23 0.00 0.00 174.94 175.00 1nqo s ILE 72 N 1.43 3.09 -0.18 2.92 1.01 -0.73 0.59 121.20 129.33 1nqo s ILE 72 Ca 0.06 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.54 1nqo s ILE 72 Cb -0.14 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1nqo s ILE 72 CO -0.06 0.12 -0.04 -0.69 0.00 0.00 0.00 174.94 174.27 1nqo s VAL 73 N 0.27 3.65 0.24 2.92 1.01 -1.04 -1.03 120.40 126.41 1nqo s VAL 73 Ca 0.59 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.24 1nqo s VAL 73 Cb -0.38 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1nqo s VAL 73 CO 0.38 0.46 -0.08 -0.54 0.00 0.00 0.00 175.10 175.32 1nqo s LYS 74 N 0.84 2.07 -0.37 2.72 1.02 0.10 -4.85 119.74 121.28 1nqo s LYS 74 Ca -0.01 -1.45 0.13 0.00 0.02 0.00 0.00 55.97 54.66 1nqo s LYS 74 Cb -0.15 -2.07 0.37 0.00 -0.52 0.00 0.00 37.83 35.47 1nqo s LYS 74 CO 0.02 0.38 0.79 0.00 -0.92 0.00 0.00 175.35 175.61 1nqo n ALA 75 N -0.54 2.44 -3.05 5.17 0.00 -1.26 -1.95 120.51 121.31 1nqo n ALA 75 Ca -0.08 -3.40 -0.37 0.00 0.00 0.00 0.00 53.44 49.59 1nqo n ALA 75 Cb 0.58 -0.92 -0.12 0.00 0.00 0.00 0.00 19.45 18.99 1nqo n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqo s GLU 76 N -2.63 3.30 0.47 0.00 0.41 -1.25 -4.93 118.70 114.07 1nqo s GLU 76 Ca 0.38 -0.72 0.26 0.00 -0.41 0.00 0.00 54.97 54.47 1nqo s GLU 76 Cb 0.37 -3.42 1.00 0.00 -1.78 0.00 0.00 34.13 30.30 1nqo s GLU 76 CO -0.06 -0.38 1.85 -0.09 -0.49 0.00 0.00 175.26 176.10 1nqo h ARG 77 N 8.27 0.00 -4.76 1.61 2.43 -1.98 -3.41 114.38 116.54 1nqo h ARG 77 Ca -0.33 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.15 1nqo h ARG 77 Cb 1.14 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.42 1nqo h ARG 77 CO 0.60 0.17 -0.62 0.34 -1.51 0.00 0.00 179.97 178.95 1nqo s ASP 78 N -6.08 5.18 0.31 -3.80 -1.08 -1.26 -5.01 116.67 104.93 1nqo s ASP 78 Ca 0.01 -0.85 0.06 0.00 -0.52 0.00 0.00 52.55 51.25 1nqo s ASP 78 Cb 0.10 -1.88 0.83 0.00 -1.46 0.00 0.00 42.92 40.51 1nqo s ASP 78 CO 0.62 -0.24 1.67 -0.65 0.52 0.00 0.00 175.17 177.09 1nqo h PRO 79 N 8.23 0.32 0.00 4.34 0.11 -1.94 -0.93 132.00 142.14 1nqo h PRO 79 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1nqo h PRO 79 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nqo h PRO 79 CO 0.60 0.21 0.04 -0.85 -0.21 0.00 0.00 178.00 177.80 1nqo n GLU 80 N -5.10 0.13 -0.28 1.05 0.28 -1.26 -1.28 120.64 114.18 1nqo n GLU 80 Ca 0.25 0.62 0.12 0.00 -0.16 0.00 0.00 57.16 57.99 1nqo n GLU 80 Cb 0.76 -1.96 0.28 0.00 1.43 0.00 0.00 31.44 31.94 1nqo n GLU 80 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1nqo n ASN 81 N -2.20 3.59 0.19 -1.84 5.03 -0.35 -4.53 115.26 115.16 1nqo n ASN 81 Ca -0.01 -1.99 0.07 0.00 0.87 0.00 0.00 54.58 53.52 1nqo n ASN 81 Cb 0.08 -0.37 0.31 0.00 -1.02 0.00 0.00 39.78 38.78 1nqo n ASN 81 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1nqo h LEU 82 N 4.22 0.00 -1.80 3.41 3.38 -1.34 -3.48 115.31 119.70 1nqo h LEU 82 Ca 0.00 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.53 1nqo h LEU 82 Cb 0.95 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.73 1nqo h LEU 82 CO 0.00 0.33 -0.84 0.00 0.09 0.00 0.00 178.44 178.01 1nqo n ALA 83 N -2.24 -2.00 -0.16 1.53 0.00 -1.25 -4.87 120.51 111.50 1nqo n ALA 83 Ca 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 1nqo n ALA 83 Cb 0.53 -1.86 0.20 0.00 0.00 0.00 0.00 19.45 18.31 1nqo n ALA 83 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1nqo h TRP 84 N -1.86 0.91 -0.68 0.00 -0.00 -1.45 -2.84 115.95 110.03 1nqo h TRP 84 Ca -0.62 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 58.22 1nqo h TRP 84 Cb 1.36 -0.28 -0.03 0.00 -0.00 0.00 0.00 29.16 30.21 1nqo h TRP 84 CO 0.47 0.70 0.40 0.78 -0.00 0.00 0.00 178.44 180.79 1nqo h GLY 85 N 0.99 0.98 2.00 1.49 0.00 -1.49 -1.75 103.07 105.29 1nqo h GLY 85 Ca 0.21 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1nqo h GLY 85 CO -0.02 0.39 -0.06 0.83 0.00 0.00 0.00 176.54 177.68 1nqo h GLU 86 N 0.93 0.00 -0.26 4.80 5.08 -1.77 -2.03 114.58 121.33 1nqo h GLU 86 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1nqo h GLU 86 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nqo h GLU 86 CO -0.04 0.06 0.00 0.44 -1.00 0.00 0.00 179.01 178.47 1nqo n ILE 87 N -4.03 2.22 -1.73 3.13 -5.35 -0.96 -4.98 119.36 107.67 1nqo n ILE 87 Ca -0.03 -1.84 -0.17 0.00 -0.27 0.00 0.00 62.75 60.45 1nqo n ILE 87 Cb 0.15 -0.22 -0.05 0.00 -1.74 0.00 0.00 39.64 37.78 1nqo n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nqo n GLY 88 N -0.46 1.09 3.67 3.28 0.00 -0.77 -4.97 105.19 107.03 1nqo n GLY 88 Ca 0.21 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1nqo n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqo s VAL 89 N -2.68 4.38 -0.19 1.61 1.01 -0.70 -4.57 120.40 119.26 1nqo s VAL 89 Ca 0.00 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 63.56 1nqo s VAL 89 Cb 0.00 -4.08 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 1nqo s VAL 89 CO 0.00 -0.11 0.10 0.47 0.00 0.00 0.00 175.10 175.56 1nqo n ASP 90 N 6.15 2.01 -4.42 3.32 8.00 -0.36 -4.21 116.55 127.03 1nqo n ASP 90 Ca 0.13 0.21 -0.33 0.00 0.71 0.00 0.00 54.79 55.50 1nqo n ASP 90 Cb 0.46 -0.79 -0.13 0.00 -0.02 0.00 0.00 41.12 40.63 1nqo n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqo s ILE 91 N -2.49 3.37 -0.13 0.53 1.01 -1.14 -0.57 121.20 121.78 1nqo s ILE 91 Ca -0.29 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1nqo s ILE 91 Cb 0.08 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1nqo s ILE 91 CO 0.65 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 175.25 1nqo s VAL 92 N 0.31 2.69 -0.39 2.92 1.01 -0.23 -1.49 120.40 125.23 1nqo s VAL 92 Ca -0.08 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.93 1nqo s VAL 92 Cb -0.15 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1nqo s VAL 92 CO 0.05 0.53 0.53 -0.69 0.00 0.00 0.00 175.10 175.52 1nqo s VAL 93 N 0.44 4.98 -0.81 2.92 1.01 -0.22 -0.68 120.40 128.05 1nqo s VAL 93 Ca -0.12 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 61.81 1nqo s VAL 93 Cb -0.16 -4.04 0.11 0.00 0.00 0.00 0.00 36.38 32.29 1nqo s VAL 93 CO 0.05 -0.35 1.03 -0.70 0.00 0.00 0.00 175.10 175.13 1nqo s GLU 94 N 2.45 3.39 -0.26 2.72 2.56 0.82 -0.90 118.70 129.47 1nqo s GLU 94 Ca 0.18 -1.43 0.12 0.00 0.00 0.00 0.00 54.97 53.84 1nqo s GLU 94 Cb -0.15 -4.63 0.46 0.00 2.00 0.00 0.00 34.13 31.81 1nqo s GLU 94 CO 0.15 -1.76 1.18 -1.13 -0.56 0.00 0.00 175.26 173.13 1nqo n SER 95 N 6.88 3.66 0.04 -1.70 3.41 0.11 -1.47 113.62 124.55 1nqo n SER 95 Ca 0.12 -3.34 0.04 0.00 -0.26 0.00 0.00 58.87 55.43 1nqo n SER 95 Cb 0.47 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1nqo n SER 95 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1nqo n THR 96 N -0.69 0.91 -0.30 6.66 -2.24 -1.05 -4.56 114.28 113.01 1nqo n THR 96 Ca 0.32 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1nqo n THR 96 Cb 0.91 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1nqo n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqo n GLY 97 N 1.33 1.17 0.52 3.38 0.00 -1.26 -4.89 105.19 105.44 1nqo n GLY 97 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1nqo n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqo n ARG 98 N -2.00 1.32 -2.48 1.61 5.12 -1.26 -4.64 116.66 114.32 1nqo n ARG 98 Ca 0.00 -1.21 -0.18 0.00 -1.93 0.00 0.00 57.85 54.53 1nqo n ARG 98 Cb 0.00 -1.27 0.02 0.00 -1.16 0.00 0.00 32.46 30.05 1nqo n ARG 98 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1nqo n PHE 99 N 0.55 2.42 1.13 -1.55 3.72 -1.26 -4.82 117.46 117.66 1nqo n PHE 99 Ca 0.08 -2.73 0.14 0.00 -0.05 0.00 0.00 57.45 54.89 1nqo n PHE 99 Cb 0.36 -0.23 0.65 0.00 -0.94 0.00 0.00 39.48 39.32 1nqo n PHE 99 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1nqo n THR 100 N -0.43 0.06 -3.31 4.37 -2.24 -1.26 -3.59 114.28 107.87 1nqo n THR 100 Ca 0.28 0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.69 1nqo n THR 100 Cb 0.78 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1nqo n THR 100 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nqo s LYS 101 N -2.83 4.18 0.26 -0.78 1.02 -1.26 -1.64 119.74 118.68 1nqo s LYS 101 Ca 0.19 0.65 -0.02 0.00 0.02 0.00 0.00 55.97 56.81 1nqo s LYS 101 Cb 0.19 -3.27 0.51 0.00 -0.52 0.00 0.00 37.83 34.74 1nqo s LYS 101 CO 0.49 0.55 1.74 -0.09 -0.92 0.00 0.00 175.35 177.12 1nqo h ARG 102 N 4.98 0.51 -0.82 1.68 2.43 -1.59 -0.16 114.38 121.41 1nqo h ARG 102 Ca -0.48 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 58.76 1nqo h ARG 102 Cb 1.21 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 1nqo h ARG 102 CO 0.65 0.34 0.54 1.05 -1.51 0.00 0.00 179.97 181.04 1nqo h GLU 103 N 0.53 0.71 0.05 0.20 4.11 -1.93 0.86 114.58 119.11 1nqo h GLU 103 Ca 0.45 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 59.73 1nqo h GLU 103 Cb 0.67 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1nqo h GLU 103 CO -0.39 0.47 -0.42 -0.44 0.07 0.00 0.00 179.01 178.30 1nqo h ASP 104 N 0.74 0.29 -0.11 3.06 3.32 -1.40 -3.31 116.42 119.01 1nqo h ASP 104 Ca 0.39 -0.88 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 1nqo h ASP 104 Cb 0.50 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1nqo h ASP 104 CO -0.16 1.15 -0.05 0.00 -1.72 0.00 0.00 179.24 178.46 1nqo h ALA 105 N 0.15 1.46 0.00 3.45 0.00 -0.62 -2.07 119.26 121.63 1nqo h ALA 105 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nqo h ALA 105 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1nqo h ALA 105 CO 0.08 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1nqo h ALA 106 N 1.59 1.00 0.00 0.00 0.00 0.64 -2.52 119.26 119.97 1nqo h ALA 106 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nqo h ALA 106 Cb 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nqo h ALA 106 CO 0.01 0.00 -0.11 0.87 0.00 0.00 0.00 179.25 180.02 1nqo h LYS 107 N 0.00 0.00 -0.22 0.00 1.57 -1.46 -1.45 116.57 115.01 1nqo h LYS 107 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1nqo h LYS 107 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1nqo h LYS 107 CO 0.00 0.11 -0.30 0.45 -0.57 0.00 0.00 179.45 179.15 1nqo h HIS 108 N 0.00 0.50 -0.47 -1.35 3.86 -1.65 -1.71 115.15 114.32 1nqo h HIS 108 Ca -0.00 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 58.98 1nqo h HIS 108 Cb 0.27 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1nqo h HIS 108 CO 0.00 0.69 -0.16 -0.07 0.86 0.00 0.00 177.93 179.25 1nqo h LEU 109 N 0.38 0.95 -1.62 2.43 3.38 -1.46 -1.79 115.31 117.59 1nqo h LEU 109 Ca 0.05 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1nqo h LEU 109 Cb 0.72 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1nqo h LEU 109 CO 0.05 1.12 0.16 -0.33 0.09 0.00 0.00 178.44 179.53 1nqo h GLU 110 N 0.78 0.41 0.00 1.13 5.08 -1.15 -1.28 114.58 119.55 1nqo h GLU 110 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1nqo h GLU 110 Cb 0.73 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1nqo h GLU 110 CO 0.06 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 1nqo n ALA 111 N -2.49 2.64 0.00 3.43 0.00 -0.67 -4.88 120.51 118.54 1nqo n ALA 111 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1nqo n ALA 111 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1nqo n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqo n GLY 112 N 0.91 1.54 3.81 0.00 0.00 -0.48 -1.13 105.19 109.84 1nqo n GLY 112 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1nqo n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqo s ALA 113 N -2.08 2.57 -0.20 4.61 0.00 -0.74 -3.86 121.76 122.06 1nqo s ALA 113 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.08 1nqo s ALA 113 Cb 0.00 -3.17 -0.17 0.00 0.00 0.00 0.00 23.12 19.78 1nqo s ALA 113 CO 0.00 -1.35 -0.10 1.63 0.00 0.00 0.00 175.76 175.94 1nqo n LYS 114 N -3.21 0.79 -4.23 0.00 5.02 0.27 -4.32 118.16 112.46 1nqo n LYS 114 Ca 0.08 0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.27 1nqo n LYS 114 Cb 0.54 -1.44 -0.13 0.00 -0.02 0.00 0.00 35.03 33.98 1nqo n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nqo s LYS 115 N -2.43 0.74 -0.07 1.97 -0.14 -0.09 -4.86 119.74 114.86 1nqo s LYS 115 Ca -0.22 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.73 1nqo s LYS 115 Cb 0.07 -0.69 0.01 0.00 -1.68 0.00 0.00 37.83 35.55 1nqo s LYS 115 CO 0.59 0.16 -0.12 0.08 -0.76 0.00 0.00 175.35 175.31 1nqo s VAL 116 N -0.91 1.10 -0.33 3.17 1.01 -0.03 -1.07 120.40 123.34 1nqo s VAL 116 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1nqo s VAL 116 Cb -0.08 -1.01 0.04 0.00 0.00 0.00 0.00 36.38 35.33 1nqo s VAL 116 CO 0.01 0.35 0.08 -0.63 0.00 0.00 0.00 175.10 174.91 1nqo s ILE 117 N 0.72 3.67 -0.22 2.22 1.01 0.14 -0.26 121.20 128.49 1nqo s ILE 117 Ca -0.14 -1.12 -0.27 0.00 0.00 0.00 0.00 60.65 59.13 1nqo s ILE 117 Cb -0.16 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1nqo s ILE 117 CO 0.03 -0.13 0.94 -0.63 0.00 0.00 0.00 174.94 175.15 1nqo s ILE 118 N 1.39 4.76 0.00 2.92 1.01 0.22 -0.13 121.20 131.38 1nqo s ILE 118 Ca -0.02 1.83 -0.03 0.00 0.00 0.00 0.00 60.65 62.43 1nqo s ILE 118 Cb -0.19 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 37.90 1nqo s ILE 118 CO 0.02 -0.10 2.83 -1.54 0.00 0.00 0.00 174.94 176.14 1nqo n SER 119 N 5.98 5.04 0.00 3.58 3.41 -0.54 -1.79 113.62 129.30 1nqo n SER 119 Ca 0.09 -2.40 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1nqo n SER 119 Cb 0.47 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 1nqo n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqo n ALA 120 N 2.11 0.00 -1.60 7.33 0.00 -1.16 -4.92 120.51 122.27 1nqo n ALA 120 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 1nqo n ALA 120 Cb 0.71 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.17 1nqo n ALA 120 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nqo n PRO 121 N -0.11 1.27 -4.72 0.00 -0.02 -1.22 -4.15 135.00 126.05 1nqo n PRO 121 Ca 0.00 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 1nqo n PRO 121 Cb 0.00 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 1nqo n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqo s ALA 122 N -1.28 3.91 -0.14 3.55 0.00 -1.26 -4.89 121.76 121.64 1nqo s ALA 122 Ca 0.63 -0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1nqo s ALA 122 Cb -0.57 0.18 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1nqo s ALA 122 CO 0.57 -0.09 -0.09 0.15 0.00 0.00 0.00 175.76 176.30 1nqo s LYS 122 N -3.84 1.77 -1.25 0.00 3.01 -0.65 -4.76 119.74 114.02 1nqo s LYS 122 Ca 0.08 -0.46 0.00 0.00 -1.01 0.00 0.00 55.97 54.58 1nqo s LYS 122 Cb 0.01 -1.91 0.00 0.00 -1.01 0.00 0.00 37.83 34.92 1nqo s LYS 122 CO 0.05 -0.31 0.00 0.09 0.51 0.00 0.00 175.35 175.69 1nqo n ASN 123 N 4.85 -4.41 -4.74 2.83 3.02 -1.26 -1.65 115.26 113.90 1nqo n ASN 123 Ca -0.14 0.29 -0.31 0.00 -0.03 0.00 0.00 54.58 54.39 1nqo n ASN 123 Cb 0.49 -2.97 0.12 0.00 -0.61 0.00 0.00 39.78 36.81 1nqo n ASN 123 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1nqo s GLU 124 N -3.04 1.86 0.35 3.52 1.03 -1.26 -4.68 118.70 116.48 1nqo s GLU 124 Ca 0.00 1.30 0.09 0.00 0.03 0.00 0.00 54.97 56.40 1nqo s GLU 124 Cb 0.00 -1.84 0.65 0.00 -0.80 0.00 0.00 34.13 32.13 1nqo s GLU 124 CO 0.00 -1.96 1.81 -0.44 -1.33 0.00 0.00 175.26 173.34 1nqo h ASP 125 N -1.34 0.18 -3.44 0.83 3.32 -1.51 -3.46 116.42 110.99 1nqo h ASP 125 Ca -0.43 -0.06 0.19 0.00 0.02 0.00 0.00 57.03 56.75 1nqo h ASP 125 Cb 1.24 -0.05 -0.26 0.00 0.22 0.00 0.00 39.33 40.49 1nqo h ASP 125 CO 0.48 0.48 0.83 -0.51 -1.72 0.00 0.00 179.24 178.80 1nqo s ILE 126 N -4.38 0.00 -0.16 0.35 2.07 -1.24 -4.94 121.20 112.91 1nqo s ILE 126 Ca -0.04 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.18 1nqo s ILE 126 Cb 0.14 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1nqo s ILE 126 CO 0.75 0.00 -0.09 -0.89 -1.91 0.00 0.00 174.94 172.80 1nqo s THR 127 N -1.08 3.33 0.06 4.00 2.01 -1.26 -1.45 115.64 121.24 1nqo s THR 127 Ca 0.06 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.59 1nqo s THR 127 Cb -0.01 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1nqo s THR 127 CO -0.05 0.50 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.51 1nqo s ILE 128 N 0.60 1.91 -0.25 1.82 1.01 0.53 -4.72 121.20 122.09 1nqo s ILE 128 Ca -0.05 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.25 1nqo s ILE 128 Cb -0.15 -1.66 0.07 0.00 0.01 0.00 0.00 42.46 40.74 1nqo s ILE 128 CO 0.03 0.24 -0.00 -0.69 0.00 0.00 0.00 174.94 174.51 1nqo s VAL 129 N -0.85 1.37 0.09 2.92 1.01 -1.26 -4.12 120.40 119.56 1nqo s VAL 129 Ca 0.10 -1.29 -0.36 0.00 0.00 0.00 0.00 61.98 60.42 1nqo s VAL 129 Cb -0.09 -1.78 -0.16 0.00 0.00 0.00 0.00 36.38 34.35 1nqo s VAL 129 CO 0.02 -0.27 1.45 0.23 0.00 0.00 0.00 175.10 176.53 1nqo n MET 130 N 4.70 1.50 -0.01 2.72 0.00 -1.26 -0.69 117.12 124.09 1nqo n MET 130 Ca -0.08 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.16 1nqo n MET 130 Cb 0.44 -2.23 0.00 0.00 0.00 0.00 0.00 33.22 31.42 1nqo n MET 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nqo n GLY 131 N 2.92 0.52 0.48 3.03 0.00 -1.26 -4.87 105.19 106.00 1nqo n GLY 131 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1nqo n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nqo n VAL 132 N -2.00 0.09 -2.20 1.61 0.31 0.14 -4.96 118.33 111.31 1nqo n VAL 132 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.29 1nqo n VAL 132 Cb 0.00 -1.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.87 1nqo n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nqo n ASN 133 N -2.81 -0.00 0.31 4.52 6.94 -1.08 -4.89 115.26 118.24 1nqo n ASN 133 Ca -0.03 -1.90 0.18 0.00 -0.02 0.00 0.00 54.58 52.81 1nqo n ASN 133 Cb 0.53 -0.02 0.99 0.00 -2.36 0.00 0.00 39.78 38.92 1nqo n ASN 133 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1nqo h GLN 134 N 0.40 0.00 0.00 -3.83 -0.00 -1.93 -0.49 115.11 109.25 1nqo h GLN 134 Ca -0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1nqo h GLN 134 Cb 1.56 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 29.04 1nqo h GLN 134 CO -0.08 0.02 -0.00 0.38 -0.00 0.00 0.00 178.83 179.15 1nqo h ASP 135 N 0.00 0.00 1.26 0.06 2.03 -1.96 -1.00 116.42 116.82 1nqo h ASP 135 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nqo h ASP 135 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1nqo h ASP 135 CO 0.00 0.00 -0.00 0.29 -1.03 0.00 0.00 179.24 178.51 1nqo n LYS 136 N -3.12 0.15 -1.92 4.15 4.76 -0.19 -4.83 118.16 117.15 1nqo n LYS 136 Ca -0.02 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 1nqo n LYS 136 Cb 0.14 -1.67 -0.03 0.00 -1.84 0.00 0.00 35.03 31.64 1nqo n LYS 136 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1nqo s TYR 137 N -3.06 2.93 -0.35 2.13 5.04 -0.38 -4.98 117.35 118.68 1nqo s TYR 137 Ca 0.12 0.55 -0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1nqo s TYR 137 Cb 0.15 -3.95 0.08 0.00 0.35 0.00 0.00 41.96 38.60 1nqo s TYR 137 CO 0.57 -3.56 0.08 0.34 -1.34 0.00 0.00 175.55 171.64 1nqo s ASP 138 N 1.40 4.99 0.65 4.32 -1.08 -1.26 -4.98 116.67 120.71 1nqo s ASP 138 Ca 0.71 -1.71 0.31 0.00 -0.52 0.00 0.00 52.55 51.34 1nqo s ASP 138 Cb -0.43 -1.74 1.71 0.00 -1.46 0.00 0.00 42.92 41.00 1nqo s ASP 138 CO 0.31 -0.39 1.99 1.55 0.52 0.00 0.00 175.17 179.16 1nqo h PRO 138 N 7.95 0.00 0.04 4.34 0.13 -1.90 0.41 132.00 142.97 1nqo h PRO 138 Ca -0.15 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.69 1nqo h PRO 138 Cb 1.05 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 1nqo h PRO 138 CO 0.59 0.00 -1.56 0.87 -0.23 0.00 0.00 178.00 177.67 1nqo h LYS 139 N 0.00 0.09 0.00 0.86 1.57 -1.93 -3.40 116.57 113.75 1nqo h LYS 139 Ca 0.04 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1nqo h LYS 139 Cb 0.64 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1nqo h LYS 139 CO -0.00 0.82 -1.11 0.00 -0.57 0.00 0.00 179.45 178.59 1nqo n ALA 140 N -2.59 2.88 -3.18 3.86 0.00 -0.80 -4.93 120.51 115.75 1nqo n ALA 140 Ca -0.15 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.61 1nqo n ALA 140 Cb 1.03 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 19.95 1nqo n ALA 140 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nqo s HIS 141 N -2.50 3.26 -0.03 0.00 3.76 0.07 -4.89 115.29 114.96 1nqo s HIS 141 Ca -0.01 -1.37 0.06 0.00 -0.15 0.00 0.00 55.06 53.59 1nqo s HIS 141 Cb 0.08 -2.30 -0.08 0.00 1.11 0.00 0.00 32.58 31.38 1nqo s HIS 141 CO 0.48 -0.72 0.09 0.72 -0.85 0.00 0.00 174.74 174.45 1nqo n HIS 142 N 4.83 0.00 -4.01 1.40 -0.00 -1.26 -4.73 115.22 111.46 1nqo n HIS 142 Ca -0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.27 1nqo n HIS 142 Cb 0.45 -0.20 -0.15 0.00 -0.00 0.00 0.00 29.99 30.09 1nqo n HIS 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nqo s VAL 143 N -2.30 2.44 0.07 1.59 1.01 -1.26 -0.85 120.40 121.09 1nqo s VAL 143 Ca -0.02 -1.73 0.07 0.00 0.00 0.00 0.00 61.98 60.30 1nqo s VAL 143 Cb 0.03 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1nqo s VAL 143 CO 0.24 -0.18 -0.16 -0.63 0.00 0.00 0.00 175.10 174.37 1nqo s ILE 144 N 1.10 2.98 -0.10 2.22 1.09 0.64 -1.17 121.20 127.97 1nqo s ILE 144 Ca -0.04 -1.27 -0.00 0.00 -1.10 0.00 0.00 60.65 58.24 1nqo s ILE 144 Cb -0.20 -2.32 -0.03 0.00 -1.06 0.00 0.00 42.46 38.86 1nqo s ILE 144 CO -0.05 0.23 -0.08 -0.55 -0.10 0.00 0.00 174.94 174.39 1nqo s SER 145 N -1.80 4.54 -0.08 3.58 0.15 -0.53 0.71 113.70 120.26 1nqo s SER 145 Ca 0.17 -0.10 0.13 0.00 0.70 0.00 0.00 55.95 56.85 1nqo s SER 145 Cb -0.11 -1.35 0.53 0.00 -1.71 0.00 0.00 66.02 63.39 1nqo s SER 145 CO 0.08 0.29 1.40 -3.20 1.20 0.00 0.00 173.24 173.01 1nqo n ASN 146 N 2.72 3.62 0.00 5.45 4.05 -0.74 -0.35 115.26 130.01 1nqo n ASN 146 Ca -0.18 -2.32 0.00 0.00 0.45 0.00 0.00 54.58 52.53 1nqo n ASN 146 Cb 0.53 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.05 1nqo n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nqo n ALA 147 N 0.77 0.00 -2.36 5.20 0.00 -1.26 -4.78 120.51 118.08 1nqo n ALA 147 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.42 1nqo n ALA 147 Cb 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 1nqo n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nqo s SER 148 N -4.00 5.12 0.32 0.00 1.04 -1.26 -2.97 113.70 111.95 1nqo s SER 148 Ca 0.00 -0.64 0.10 0.00 0.48 0.00 0.00 55.95 55.88 1nqo s SER 148 Cb 0.00 -0.75 0.55 0.00 0.10 0.00 0.00 66.02 65.91 1nqo s SER 148 CO 0.00 -0.50 1.74 0.77 0.98 0.00 0.00 173.24 176.23 1nqo h SER 149 N 1.16 0.10 -0.62 7.02 4.64 -1.88 -1.84 113.55 122.13 1nqo h SER 149 Ca -0.43 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 1nqo h SER 149 Cb 1.26 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1nqo h SER 149 CO 0.58 0.52 0.02 0.74 -0.87 0.00 0.00 176.83 177.82 1nqo h THR 150 N 0.08 1.27 -0.37 2.95 2.02 -1.95 -0.99 112.91 115.92 1nqo h THR 150 Ca 0.00 -1.14 -0.12 0.00 0.77 0.00 0.00 66.41 65.93 1nqo h THR 150 Cb 0.80 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 1nqo h THR 150 CO 0.06 0.42 -0.25 0.74 0.37 0.00 0.00 175.52 176.85 1nqo h THR 151 N 0.98 1.27 0.00 3.16 2.02 -1.83 -0.69 112.91 117.83 1nqo h THR 151 Ca 0.18 -1.38 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 1nqo h THR 151 Cb 0.54 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1nqo h THR 151 CO 0.03 0.46 -0.16 0.78 0.37 0.00 0.00 175.52 177.00 1nqo h ASN 152 N 0.66 0.00 0.12 4.18 2.35 -0.98 0.79 115.58 122.70 1nqo h ASN 152 Ca 0.09 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.63 1nqo h ASN 152 Cb 0.77 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.15 1nqo h ASN 152 CO 0.06 0.16 -1.01 0.00 -1.65 0.00 0.00 177.43 175.00 1nqo h LEU 154 N -0.41 -0.03 -0.85 0.00 5.85 -0.92 -3.36 115.31 115.59 1nqo h LEU 154 Ca -0.20 -0.54 0.17 0.00 0.84 0.00 0.00 57.88 58.15 1nqo h LEU 154 Cb 1.64 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.57 1nqo h LEU 154 CO 0.09 0.54 0.39 0.00 -0.34 0.00 0.00 178.44 179.12 1nqo h ALA 155 N 0.31 1.28 -0.48 1.25 0.00 -1.06 -1.29 119.26 119.27 1nqo h ALA 155 Ca -0.00 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1nqo h ALA 155 Cb 0.58 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1nqo h ALA 155 CO 0.01 -0.21 0.28 -1.35 0.00 0.00 0.00 179.25 177.98 1nqo h PRO 156 N 0.50 0.55 0.00 0.00 0.11 -1.75 -0.66 132.00 130.75 1nqo h PRO 156 Ca 0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1nqo h PRO 156 Cb 0.80 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1nqo h PRO 156 CO -0.44 0.37 -0.68 0.27 -0.21 0.00 0.00 178.00 177.31 1nqo h PHE 157 N 0.57 0.00 -0.22 0.65 -5.15 -1.68 -3.14 116.94 107.97 1nqo h PHE 157 Ca 0.19 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.81 1nqo h PHE 157 Cb 0.02 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.18 1nqo h PHE 157 CO -0.07 0.00 -0.47 0.00 -2.00 0.00 0.00 178.31 175.77 1nqo h ALA 158 N 2.16 0.76 -0.16 12.09 0.00 -1.10 -0.07 119.26 132.94 1nqo h ALA 158 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.44 1nqo h ALA 158 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1nqo h ALA 158 CO 0.00 0.67 0.09 -0.22 0.00 0.00 0.00 179.25 179.79 1nqo h LYS 159 N 0.46 0.19 0.17 0.00 3.64 -1.12 -0.67 116.57 119.24 1nqo h LYS 159 Ca 0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1nqo h LYS 159 Cb 1.00 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1nqo h LYS 159 CO 0.09 0.12 -0.08 0.28 -2.27 0.00 0.00 179.45 177.59 1nqo h VAL 160 N 0.19 0.91 -0.53 2.00 2.07 -1.46 -1.39 116.25 118.04 1nqo h VAL 160 Ca 0.06 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1nqo h VAL 160 Cb -0.01 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1nqo h VAL 160 CO -0.03 0.09 0.19 -0.07 0.02 0.00 0.00 177.57 177.78 1nqo h LEU 161 N -0.41 0.20 -0.26 2.57 3.38 -0.93 -0.34 115.31 119.52 1nqo h LEU 161 Ca -0.02 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1nqo h LEU 161 Cb 0.32 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nqo h LEU 161 CO 0.04 0.14 -0.04 -0.74 0.09 0.00 0.00 178.44 177.93 1nqo h HIS 162 N 0.38 0.54 0.00 1.13 2.76 -1.09 0.34 115.15 119.20 1nqo h HIS 162 Ca 0.26 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.25 1nqo h HIS 162 Cb 0.28 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1nqo h HIS 162 CO -0.16 0.68 -0.36 0.93 -1.30 0.00 0.00 177.93 177.72 1nqo h GLU 163 N 0.24 0.00 0.00 5.26 5.08 -1.05 0.44 114.58 124.56 1nqo h GLU 163 Ca 0.07 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1nqo h GLU 163 Cb 0.49 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1nqo h GLU 163 CO 0.02 0.36 -1.04 0.37 -1.00 0.00 0.00 179.01 177.72 1nqo h GLN 164 N 0.00 0.00 0.00 2.33 5.75 -0.96 -3.43 115.11 118.80 1nqo h GLN 164 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1nqo h GLN 164 Cb 0.65 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1nqo h GLN 164 CO 0.05 0.86 -0.59 1.19 -2.65 0.00 0.00 178.83 177.70 1nqo n PHE 165 N -4.48 0.00 -0.99 3.99 3.72 0.11 -4.98 117.46 114.83 1nqo n PHE 165 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1nqo n PHE 165 Cb 0.60 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1nqo n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqo n GLY 166 N 1.41 -4.02 3.61 1.37 0.00 0.15 -2.28 105.19 105.42 1nqo n GLY 166 Ca 0.01 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1nqo n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqo s ILE 167 N -0.14 5.03 -0.12 -0.61 1.01 -1.26 -1.19 121.20 123.92 1nqo s ILE 167 Ca 0.00 0.86 -0.21 0.00 0.00 0.00 0.00 60.65 61.30 1nqo s ILE 167 Cb 0.00 -3.89 -0.18 0.00 0.01 0.00 0.00 42.46 38.40 1nqo s ILE 167 CO 0.00 0.00 0.58 0.58 0.00 0.00 0.00 174.94 176.11 1nqo h VAL 168 N 5.45 1.24 -1.94 2.92 2.07 -1.25 -3.48 116.25 121.26 1nqo h VAL 168 Ca -0.28 -1.87 0.06 0.00 0.82 0.00 0.00 66.70 65.43 1nqo h VAL 168 Cb 1.13 2.31 -0.19 0.00 -1.52 0.00 0.00 31.29 33.02 1nqo h VAL 168 CO 0.75 0.41 0.46 0.00 0.02 0.00 0.00 177.57 179.20 1nqo s ARG 169 N -2.18 0.78 0.20 1.57 1.70 -1.22 -4.85 118.95 114.95 1nqo s ARG 169 Ca -0.13 -0.02 -0.22 0.00 -0.47 0.00 0.00 55.73 54.89 1nqo s ARG 169 Cb -0.02 0.36 0.05 0.00 -0.57 0.00 0.00 34.95 34.78 1nqo s ARG 169 CO 0.49 -0.28 0.65 0.20 -1.08 0.00 0.00 175.30 175.27 1nqo s GLY 170 N -1.67 -0.42 0.01 3.88 0.00 -0.10 -0.35 107.32 108.68 1nqo s GLY 170 Ca -0.01 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.92 1nqo s GLY 170 CO -0.01 0.07 -0.06 1.06 0.00 0.00 0.00 173.10 174.15 1nqo s MET 171 N -3.81 0.48 0.15 2.90 -1.94 0.37 -1.92 119.30 115.52 1nqo s MET 171 Ca 0.05 -0.41 0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1nqo s MET 171 Cb -0.03 -0.38 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1nqo s MET 171 CO -0.05 0.09 -0.11 0.00 -0.01 0.00 0.00 175.02 174.94 1nqo s MET 172 N -0.68 1.06 -0.01 2.03 0.23 0.10 -1.35 119.30 120.67 1nqo s MET 172 Ca -0.02 -1.42 0.00 0.00 -1.03 0.00 0.00 55.69 53.21 1nqo s MET 172 Cb -0.05 -0.67 0.02 0.00 -1.53 0.00 0.00 34.83 32.60 1nqo s MET 172 CO 0.00 0.09 0.00 0.99 -2.03 0.00 0.00 175.02 174.07 1nqo s THR 173 N -3.16 0.07 -0.22 3.16 2.01 -0.78 -1.44 115.64 115.28 1nqo s THR 173 Ca 0.16 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.20 1nqo s THR 173 Cb 0.01 -0.13 0.01 0.00 0.01 0.00 0.00 72.50 72.40 1nqo s THR 173 CO 0.01 0.08 -0.07 0.28 -0.69 0.00 0.00 174.62 174.22 1nqo s THR 174 N 0.57 3.02 -0.54 -0.82 -1.32 -0.81 -1.04 115.64 114.71 1nqo s THR 174 Ca -0.05 -0.71 -0.24 0.00 -1.21 0.00 0.00 61.69 59.47 1nqo s THR 174 Cb -0.08 -2.40 0.04 0.00 -1.51 0.00 0.00 72.50 68.55 1nqo s THR 174 CO -0.01 0.38 0.93 -0.69 -2.21 0.00 0.00 174.62 173.02 1nqo s VAL 175 N 1.41 4.41 -0.07 5.08 1.01 -0.65 -0.69 120.40 130.89 1nqo s VAL 175 Ca 0.04 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.37 1nqo s VAL 175 Cb -0.15 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1nqo s VAL 175 CO -0.05 -1.07 -0.12 -2.28 0.00 0.00 0.00 175.10 171.58 1nqo s HIS 176 N 3.89 2.78 0.80 5.22 5.04 -0.48 -1.65 115.29 130.89 1nqo s HIS 176 Ca 0.31 -0.20 -0.13 0.00 -1.54 0.00 0.00 55.06 53.51 1nqo s HIS 176 Cb -0.12 -1.69 0.08 0.00 0.04 0.00 0.00 32.58 30.89 1nqo s HIS 176 CO 0.20 0.15 1.17 -1.12 -2.34 0.00 0.00 174.74 172.80 1nqo s SER 177 N -0.55 3.82 0.72 9.88 0.01 -1.23 -1.22 113.70 125.12 1nqo s SER 177 Ca 0.08 2.21 -0.11 0.00 1.31 0.00 0.00 55.95 59.44 1nqo s SER 177 Cb -0.12 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1nqo s SER 177 CO 0.02 -2.51 1.08 -0.72 0.41 0.00 0.00 173.24 171.51 1nqo s TYR 178 N -2.36 2.85 0.33 2.43 -0.85 -0.61 -4.73 117.35 114.41 1nqo s TYR 178 Ca 0.70 1.49 0.03 0.00 -0.52 0.00 0.00 57.07 58.77 1nqo s TYR 178 Cb -0.25 -2.98 -0.04 0.00 0.38 0.00 0.00 41.96 39.07 1nqo s TYR 178 CO 0.51 -1.49 0.15 0.95 -1.52 0.00 0.00 175.55 174.15 1nqo s THR 179 N -2.89 0.46 -1.49 -3.49 -4.23 -1.26 -4.68 115.64 98.05 1nqo s THR 179 Ca 0.60 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.25 1nqo s THR 179 Cb -0.16 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.43 1nqo s THR 179 CO 0.53 0.00 1.33 0.59 -0.54 0.00 0.00 174.62 176.53 1nqo n ASN 180 N -1.02 0.00 0.00 3.99 3.02 -1.26 -1.63 115.26 118.37 1nqo n ASN 180 Ca -0.01 0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.71 1nqo n ASN 180 Cb 0.65 -0.25 0.61 0.00 -0.61 0.00 0.00 39.78 40.18 1nqo n ASN 180 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nqo n ASP 181 N -1.25 0.00 -1.46 6.41 2.03 -1.26 -4.84 116.55 116.19 1nqo n ASP 181 Ca 0.07 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.72 1nqo n ASP 181 Cb 0.10 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1nqo n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqo n GLN 182 N -1.44 1.74 -4.31 -0.67 6.02 -0.64 -5.01 117.38 113.06 1nqo n GLN 182 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 1nqo n GLN 182 Cb 0.29 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.42 1nqo n GLN 182 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nqo s ARG 183 N 0.62 0.83 -0.01 -1.09 1.81 -1.21 -5.04 118.95 114.87 1nqo s ARG 183 Ca 0.00 -0.68 -0.25 0.00 -1.72 0.00 0.00 55.73 53.09 1nqo s ARG 183 Cb 0.00 -0.80 -0.18 0.00 -0.45 0.00 0.00 34.95 33.52 1nqo s ARG 183 CO 0.00 0.20 1.19 0.82 -0.68 0.00 0.00 175.30 176.83 1nqo h ILE 184 N 4.58 1.03 -2.99 1.52 2.04 -1.89 0.62 117.51 122.41 1nqo h ILE 184 Ca -0.36 -0.91 -0.34 0.00 1.00 0.00 0.00 64.86 64.24 1nqo h ILE 184 Cb 1.18 1.57 -0.37 0.00 -0.74 0.00 0.00 36.82 38.46 1nqo h ILE 184 CO 0.44 0.21 -0.67 -0.76 0.00 0.00 0.00 178.15 177.37 1nqo s LEU 185 N -9.31 0.03 0.00 1.44 1.43 -1.26 -3.88 118.68 107.13 1nqo s LEU 185 Ca -0.15 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1nqo s LEU 185 Cb 0.02 0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.37 1nqo s LEU 185 CO 0.59 -0.28 0.00 0.47 0.23 0.00 0.00 176.35 177.35 1nqo n ASP 186 N 5.31 0.00 -4.28 2.29 9.92 -1.22 -4.81 116.55 123.77 1nqo n ASP 186 Ca -0.05 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.06 1nqo n ASP 186 Cb 0.50 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.88 1nqo n ASP 186 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1nqo s LEU 187 N 0.00 2.40 0.37 0.64 1.43 -0.11 -4.98 118.68 118.43 1nqo s LEU 187 Ca 0.00 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 51.73 1nqo s LEU 187 Cb 0.00 -0.32 -0.11 0.00 0.03 0.00 0.00 46.19 45.79 1nqo s LEU 187 CO 0.00 -0.39 1.42 -2.65 0.23 0.00 0.00 176.35 174.96 1nqo n PRO 188 N -0.28 2.48 -3.63 1.29 -0.02 -1.26 -4.45 135.00 129.13 1nqo n PRO 188 Ca -0.08 0.87 -0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1nqo n PRO 188 Cb 0.62 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 1nqo n PRO 188 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nqo s HIS 190 N -1.12 -0.79 0.44 6.00 2.46 -1.26 -4.92 115.29 116.10 1nqo s HIS 190 Ca 0.54 1.92 0.20 0.00 0.47 0.00 0.00 55.06 58.19 1nqo s HIS 190 Cb -0.50 0.27 1.15 0.00 -0.13 0.00 0.00 32.58 33.37 1nqo s HIS 190 CO 0.63 -0.38 1.86 1.57 -2.47 0.00 0.00 174.74 175.95 1nqo h LYS 191 N 4.98 0.33 -4.51 2.88 2.10 -1.98 -3.32 116.57 117.06 1nqo h LYS 191 Ca -0.29 -0.02 -0.72 0.00 -2.00 0.00 0.00 60.65 57.62 1nqo h LYS 191 Cb 1.16 -0.07 -0.21 0.00 -0.90 0.00 0.00 32.23 32.21 1nqo h LYS 191 CO 0.05 0.22 -0.43 0.34 -2.00 0.00 0.00 179.45 177.63 1nqo s ASP 192 N -5.63 6.11 0.47 7.07 -1.08 -1.26 -4.96 116.67 117.40 1nqo s ASP 192 Ca -0.08 -0.88 0.31 0.00 -0.52 0.00 0.00 52.55 51.39 1nqo s ASP 192 Cb 0.23 -2.16 1.70 0.00 -1.46 0.00 0.00 42.92 41.23 1nqo s ASP 192 CO 0.78 -0.44 1.95 -0.07 0.52 0.00 0.00 175.17 177.92 1nqo h LEU 193 N 8.62 0.00 0.17 -1.34 3.38 -1.99 -1.56 115.31 122.59 1nqo h LEU 193 Ca -0.27 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.35 1nqo h LEU 193 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1nqo h LEU 193 CO 0.72 0.00 -1.74 0.03 0.09 0.00 0.00 178.44 177.54 1nqo h ARG 194 N 0.00 0.36 0.00 1.13 2.47 -1.91 -3.31 114.38 113.11 1nqo h ARG 194 Ca 0.00 -0.61 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 1nqo h ARG 194 Cb 0.03 0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1nqo h ARG 194 CO 0.00 1.29 0.00 0.54 0.56 0.00 0.00 179.97 182.36 1nqo n ARG 195 N -3.63 0.32 0.17 0.04 1.74 -0.65 -2.25 116.66 112.40 1nqo n ARG 195 Ca -0.26 0.07 0.05 0.00 -0.77 0.00 0.00 57.85 56.94 1nqo n ARG 195 Cb 1.05 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 31.20 1nqo n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqo h ALA 196 N 3.06 0.85 -2.49 7.54 0.00 -1.47 -3.20 119.26 123.54 1nqo h ALA 196 Ca 0.00 -0.36 -0.48 0.00 0.00 0.00 0.00 54.91 54.07 1nqo h ALA 196 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1nqo h ALA 196 CO 0.00 0.50 0.38 1.03 0.00 0.00 0.00 179.25 181.16 1nqo s ARG 197 N -3.30 4.44 -0.40 0.00 1.81 -0.95 -0.93 118.95 119.61 1nqo s ARG 197 Ca 0.02 1.43 -0.35 0.00 -1.72 0.00 0.00 55.73 55.11 1nqo s ARG 197 Cb 0.09 -2.73 -0.15 0.00 -0.45 0.00 0.00 34.95 31.71 1nqo s ARG 197 CO 0.70 0.12 1.68 0.00 -0.68 0.00 0.00 175.30 177.13 1nqo n ALA 198 N 0.38 0.14 -0.08 2.13 0.00 -1.26 -4.47 120.51 117.34 1nqo n ALA 198 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.63 1nqo n ALA 198 Cb 0.50 -1.64 0.30 0.00 0.00 0.00 0.00 19.45 18.60 1nqo n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqo h ALA 199 N 7.02 1.46 -0.39 0.00 0.00 -0.98 -2.94 119.26 123.44 1nqo h ALA 199 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nqo h ALA 199 Cb 1.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nqo h ALA 199 CO 0.86 0.42 0.00 0.00 0.00 0.00 0.00 179.25 180.53 1nqo n ALA 200 N -2.46 2.45 0.12 0.00 0.00 -1.26 -4.16 120.51 115.20 1nqo n ALA 200 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 53.44 52.72 1nqo n ALA 200 Cb 0.13 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1nqo n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nqo n GLU 201 N 0.95 0.95 -4.16 0.00 -0.58 -1.11 -4.76 120.64 111.94 1nqo n GLU 201 Ca 0.18 -0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.71 1nqo n GLU 201 Cb 0.45 -1.25 -0.09 0.00 -0.57 0.00 0.00 31.44 29.98 1nqo n GLU 201 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1nqo s SER 202 N -3.16 0.16 -0.26 1.62 0.01 -1.23 -5.05 113.70 105.80 1nqo s SER 202 Ca -0.03 -1.31 -0.17 0.00 1.31 0.00 0.00 55.95 55.76 1nqo s SER 202 Cb 0.08 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 1nqo s SER 202 CO 0.52 -0.92 0.48 -0.63 0.41 0.00 0.00 173.24 173.10 1nqo s ILE 203 N -4.08 5.10 -0.33 1.44 1.01 -1.26 -4.15 121.20 118.93 1nqo s ILE 203 Ca 0.35 0.81 0.03 0.00 0.00 0.00 0.00 60.65 61.84 1nqo s ILE 203 Cb 0.05 -3.80 0.09 0.00 0.01 0.00 0.00 42.46 38.81 1nqo s ILE 203 CO 0.12 0.12 0.03 -0.63 0.00 0.00 0.00 174.94 174.57 1nqo s ILE 204 N 2.16 2.42 0.32 2.92 1.01 0.86 -4.95 121.20 125.95 1nqo s ILE 204 Ca 0.20 -2.08 -0.29 0.00 0.00 0.00 0.00 60.65 58.48 1nqo s ILE 204 Cb -0.16 -2.66 -0.10 0.00 0.01 0.00 0.00 42.46 39.55 1nqo s ILE 204 CO 0.09 -0.44 1.32 -2.84 0.00 0.00 0.00 174.94 173.07 1nqo s PRO 205 N 1.00 4.35 0.00 2.79 0.02 -1.26 -1.00 135.00 140.90 1nqo s PRO 205 Ca 0.05 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1nqo s PRO 205 Cb -0.20 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1nqo s PRO 205 CO -0.06 -0.20 0.00 -2.37 -0.33 0.00 0.00 177.00 174.03 1nqo n THR 206 N 0.94 0.00 -2.57 0.99 5.66 0.11 -4.82 114.28 114.59 1nqo n THR 206 Ca 0.01 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.74 1nqo n THR 206 Cb 0.42 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.21 1nqo n THR 206 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1nqo s THR 207 N -2.97 4.32 -0.24 1.09 -4.23 -1.26 -0.57 115.64 111.79 1nqo s THR 207 Ca 0.00 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.44 1nqo s THR 207 Cb 0.00 -3.66 0.07 0.00 1.34 0.00 0.00 72.50 70.25 1nqo s THR 207 CO 0.00 -0.65 0.57 0.28 -0.54 0.00 0.00 174.62 174.28 1nqo s THR 208 N -2.83 -0.08 -2.87 3.99 -1.32 -1.26 -4.41 115.64 106.86 1nqo s THR 208 Ca 0.50 0.04 0.25 0.00 -1.21 0.00 0.00 61.69 61.27 1nqo s THR 208 Cb -0.10 -0.84 0.27 0.00 -1.51 0.00 0.00 72.50 70.32 1nqo s THR 208 CO 0.44 0.02 1.37 0.61 -2.21 0.00 0.00 174.62 174.86 1nqo n GLY 209 N 4.39 0.75 0.24 6.08 0.00 -1.26 -4.44 105.19 110.96 1nqo n GLY 209 Ca -0.20 -0.63 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1nqo n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqo h ALA 210 N 4.62 0.80 -0.75 4.61 0.00 -1.95 0.75 119.26 127.34 1nqo h ALA 210 Ca 0.00 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.09 1nqo h ALA 210 Cb 0.88 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1nqo h ALA 210 CO 0.00 -0.03 0.26 0.00 0.00 0.00 0.00 179.25 179.48 1nqo h ALA 211 N 1.33 1.03 0.03 0.00 0.00 -1.90 -0.47 119.26 119.29 1nqo h ALA 211 Ca 0.28 0.14 -0.29 0.00 0.00 0.00 0.00 54.91 55.03 1nqo h ALA 211 Cb 0.19 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1nqo h ALA 211 CO -0.19 -0.26 -1.66 0.87 0.00 0.00 0.00 179.25 178.01 1nqo h LYS 212 N 0.38 0.06 0.00 0.00 1.57 -1.65 -3.34 116.57 113.58 1nqo h LYS 212 Ca 0.42 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1nqo h LYS 212 Cb 0.67 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1nqo h LYS 212 CO -0.44 0.70 -0.08 0.00 -0.57 0.00 0.00 179.45 179.06 1nqo h ALA 213 N 0.82 1.23 -0.16 3.86 0.00 0.11 -1.49 119.26 123.64 1nqo h ALA 213 Ca -0.27 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1nqo h ALA 213 Cb 1.99 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 1nqo h ALA 213 CO 0.09 0.10 0.14 0.28 0.00 0.00 0.00 179.25 179.86 1nqo h VAL 214 N 0.00 0.68 0.00 0.00 2.07 -1.23 -0.64 116.25 117.13 1nqo h VAL 214 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1nqo h VAL 214 Cb 0.29 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1nqo h VAL 214 CO 0.01 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 177.53 1nqo h ALA 215 N 1.87 1.47 -0.06 1.67 0.00 -1.46 0.28 119.26 123.02 1nqo h ALA 215 Ca 0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1nqo h ALA 215 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nqo h ALA 215 CO -0.00 0.08 -0.45 -0.07 0.00 0.00 0.00 179.25 178.81 1nqo h LEU 216 N 0.00 0.16 0.00 0.00 3.38 -1.29 -2.41 115.31 115.15 1nqo h LEU 216 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1nqo h LEU 216 Cb 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1nqo h LEU 216 CO 0.01 0.59 -1.49 1.33 0.09 0.00 0.00 178.44 178.97 1nqo n VAL 217 N -4.00 0.00 -3.33 1.22 0.24 -0.85 -4.65 118.33 106.97 1nqo n VAL 217 Ca -0.02 -0.30 -0.26 0.00 -2.04 0.00 0.00 64.34 61.73 1nqo n VAL 217 Cb 0.49 0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 33.19 1nqo n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nqo n LEU 218 N -1.89 0.20 -0.40 1.34 4.77 0.03 -4.64 117.00 116.42 1nqo n LEU 218 Ca -0.01 -4.61 0.35 0.00 -0.03 0.00 0.00 56.01 51.71 1nqo n LEU 218 Cb 0.41 0.46 0.69 0.00 -2.33 0.00 0.00 43.42 42.66 1nqo n LEU 218 CO 0.39 1.96 1.31 -0.65 -1.33 0.00 0.00 177.39 179.07 1nqo h PRO 219 N 4.80 0.10 0.00 3.23 0.11 -1.67 0.82 132.00 139.39 1nqo h PRO 219 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1nqo h PRO 219 Cb 0.88 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1nqo h PRO 219 CO 0.45 0.07 0.00 0.93 -0.21 0.00 0.00 178.00 179.24 1nqo h GLU 220 N 0.10 0.00 -0.12 1.05 5.08 -1.95 -1.62 114.58 117.12 1nqo h GLU 220 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 1nqo h GLU 220 Cb 2.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.61 1nqo h GLU 220 CO -0.14 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.15 1nqo n LEU 221 N -2.96 2.34 -4.67 1.33 4.77 0.28 -4.90 117.00 113.20 1nqo n LEU 221 Ca -0.02 -0.88 -0.48 0.00 -0.03 0.00 0.00 56.01 54.60 1nqo n LEU 221 Cb 0.11 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1nqo n LEU 221 CO 0.20 0.44 1.26 1.17 -1.33 0.00 0.00 177.39 179.13 1nqo n LYS 222 N 0.80 1.99 -0.92 3.23 4.81 -0.61 -0.89 118.16 126.57 1nqo n LYS 222 Ca 0.17 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1nqo n LYS 222 Cb 0.47 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.02 1nqo n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqo n GLY 223 N 3.66 0.71 0.03 3.14 0.00 -1.26 -4.87 105.19 106.60 1nqo n GLY 223 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1nqo n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqo n LYS 224 N -2.04 0.49 -4.42 1.61 5.02 -0.06 -4.97 118.16 113.79 1nqo n LYS 224 Ca 0.00 -0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 55.92 1nqo n LYS 224 Cb 0.02 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.33 1nqo n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nqo s LEU 225 N -4.32 2.30 0.06 -0.35 1.43 -1.25 -0.92 118.68 115.62 1nqo s LEU 225 Ca -0.03 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1nqo s LEU 225 Cb 0.14 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1nqo s LEU 225 CO 0.87 0.17 -0.06 0.21 0.23 0.00 0.00 176.35 177.77 1nqo s ASN 226 N -1.96 0.77 0.10 2.29 3.84 -0.81 -4.41 114.94 114.76 1nqo s ASN 226 Ca 0.12 -0.76 -0.26 0.00 0.21 0.00 0.00 52.86 52.17 1nqo s ASN 226 Cb -0.10 0.10 0.08 0.00 -0.55 0.00 0.00 41.25 40.77 1nqo s ASN 226 CO 0.05 -0.37 0.88 -0.83 -2.79 0.00 0.00 177.10 174.04 1nqo s GLY 227 N -2.25 -0.35 0.30 1.21 0.00 -1.26 -0.73 107.32 104.24 1nqo s GLY 227 Ca -0.01 0.47 0.01 0.00 0.00 0.00 0.00 44.72 45.19 1nqo s GLY 227 CO -0.03 0.14 0.32 -3.16 0.00 0.00 0.00 173.10 170.37 1nqo s MET 228 N -3.32 1.66 0.11 2.90 0.23 -0.52 -4.54 119.30 115.82 1nqo s MET 228 Ca 0.08 -1.79 0.05 0.00 -1.03 0.00 0.00 55.69 52.99 1nqo s MET 228 Cb -0.02 0.36 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1nqo s MET 228 CO -0.03 -0.63 -0.12 0.00 -2.03 0.00 0.00 175.02 172.21 1nqo s ALA 229 N -3.53 1.28 -0.35 3.16 0.00 0.27 -1.93 121.76 120.67 1nqo s ALA 229 Ca 0.36 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1nqo s ALA 229 Cb 0.02 -0.01 0.11 0.00 0.00 0.00 0.00 23.12 23.24 1nqo s ALA 229 CO 0.20 0.01 0.13 -1.64 0.00 0.00 0.00 175.76 174.47 1nqo s MET 230 N -2.80 0.93 0.11 0.00 -1.94 0.13 0.05 119.30 115.79 1nqo s MET 230 Ca 0.07 -1.40 -0.30 0.00 -1.71 0.00 0.00 55.69 52.35 1nqo s MET 230 Cb -0.03 -2.18 -0.07 0.00 2.01 0.00 0.00 34.83 34.56 1nqo s MET 230 CO 0.01 -1.03 1.17 1.03 -0.01 0.00 0.00 175.02 176.19 1nqo s ARG 231 N 1.21 4.49 0.28 2.03 1.81 -0.17 -1.38 118.95 127.21 1nqo s ARG 231 Ca 0.12 1.77 0.05 0.00 -1.72 0.00 0.00 55.73 55.95 1nqo s ARG 231 Cb -0.19 -3.31 -0.06 0.00 -0.45 0.00 0.00 34.95 30.94 1nqo s ARG 231 CO -0.16 -0.14 -0.00 0.14 -0.68 0.00 0.00 175.30 174.46 1nqo s VAL 232 N 0.52 1.28 -1.01 3.52 -7.23 -0.35 -0.10 120.40 117.03 1nqo s VAL 232 Ca 0.55 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.60 1nqo s VAL 232 Cb -0.30 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 1nqo s VAL 232 CO 0.32 -0.21 2.21 -2.65 -0.31 0.00 0.00 175.10 174.46 1nqo n PRO 233 N -0.56 2.27 -4.56 4.82 -0.02 -1.26 -3.02 135.00 132.67 1nqo n PRO 233 Ca -0.04 -1.58 -0.21 0.00 -2.02 0.00 0.00 63.50 59.65 1nqo n PRO 233 Cb 0.65 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 1nqo n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nqo s THR 234 N 3.32 0.98 -0.48 3.45 -4.23 -1.26 -5.02 115.64 112.40 1nqo s THR 234 Ca 0.44 -0.53 0.26 0.00 -1.18 0.00 0.00 61.69 60.68 1nqo s THR 234 Cb 0.11 -0.82 0.30 0.00 1.34 0.00 0.00 72.50 73.43 1nqo s THR 234 CO -0.03 0.28 1.76 1.55 -0.54 0.00 0.00 174.62 177.64 1nqo h PRO 235 N 5.84 0.00 -1.80 3.99 0.13 -1.87 -1.62 132.00 136.68 1nqo h PRO 235 Ca -0.33 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.94 1nqo h PRO 235 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 1nqo h PRO 235 CO 0.49 0.00 0.61 1.21 -0.23 0.00 0.00 178.00 180.08 1nqo s ASN 236 N -4.88 -0.29 0.00 1.44 2.47 -1.26 -4.68 114.94 107.73 1nqo s ASN 236 Ca 0.07 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1nqo s ASN 236 Cb 0.10 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.18 1nqo s ASN 236 CO 0.54 -0.41 0.00 0.52 -3.72 0.00 0.00 177.10 174.03 1nqo n VAL 237 N 0.14 -0.40 -4.33 -5.21 0.31 -1.26 -4.87 118.33 102.70 1nqo n VAL 237 Ca -0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.08 1nqo n VAL 237 Cb 0.60 -0.40 -0.09 0.00 -0.91 0.00 0.00 33.84 33.03 1nqo n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1nqo s SER 238 N -0.41 1.48 -0.11 4.52 0.01 0.84 -3.56 113.70 116.47 1nqo s SER 238 Ca 0.00 -1.53 -0.07 0.00 1.31 0.00 0.00 55.95 55.66 1nqo s SER 238 Cb 0.00 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.63 1nqo s SER 238 CO 0.00 -0.86 0.28 0.54 0.41 0.00 0.00 173.24 173.60 1nqo s VAL 239 N -3.63 -0.03 -0.04 3.43 0.11 -0.66 -1.11 120.40 118.47 1nqo s VAL 239 Ca 0.36 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.36 1nqo s VAL 239 Cb 0.05 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1nqo s VAL 239 CO 0.17 0.04 0.37 -0.69 -3.33 0.00 0.00 175.10 171.65 1nqo s VAL 240 N 0.94 5.14 -0.29 2.04 1.01 0.92 -1.64 120.40 128.51 1nqo s VAL 240 Ca -0.06 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1nqo s VAL 240 Cb -0.07 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.72 1nqo s VAL 240 CO -0.06 0.54 0.01 -0.62 0.00 0.00 0.00 175.10 174.96 1nqo s ASP 241 N -0.74 4.28 -0.18 3.32 2.15 -0.20 -0.78 116.67 124.52 1nqo s ASP 241 Ca 0.22 -1.64 -0.05 0.00 0.43 0.00 0.00 52.55 51.51 1nqo s ASP 241 Cb -0.16 -1.32 -0.03 0.00 -0.30 0.00 0.00 42.92 41.12 1nqo s ASP 241 CO 0.11 -0.32 -0.00 -0.22 -0.17 0.00 0.00 175.17 174.57 1nqo s LEU 242 N 1.23 3.36 -0.14 -1.34 2.96 -0.24 -1.86 118.68 122.65 1nqo s LEU 242 Ca 0.03 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1nqo s LEU 242 Cb -0.19 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 1nqo s LEU 242 CO -0.10 0.13 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.20 1nqo s VAL 243 N 0.59 2.62 0.02 1.68 1.01 -0.45 -0.85 120.40 125.02 1nqo s VAL 243 Ca -0.01 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1nqo s VAL 243 Cb -0.14 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1nqo s VAL 243 CO 0.02 0.53 0.32 0.00 0.00 0.00 0.00 175.10 175.97 1nqo s ALA 244 N 0.60 -0.76 -0.15 5.51 0.00 -0.29 -0.48 121.76 126.19 1nqo s ALA 244 Ca -0.10 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 51.86 1nqo s ALA 244 Cb -0.16 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1nqo s ALA 244 CO 0.03 -0.37 0.37 -1.21 0.00 0.00 0.00 175.76 174.58 1nqo s GLU 245 N -2.15 4.29 0.19 0.00 0.41 0.52 -1.02 118.70 120.94 1nqo s GLU 245 Ca -0.08 0.23 0.05 0.00 -0.41 0.00 0.00 54.97 54.77 1nqo s GLU 245 Cb -0.02 -3.44 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 1nqo s GLU 245 CO -0.01 0.19 0.19 -0.51 -0.49 0.00 0.00 175.26 174.64 1nqo s LEU 246 N 0.57 3.94 0.06 1.80 1.02 0.09 -0.74 118.68 125.42 1nqo s LEU 246 Ca 0.20 -0.08 -0.11 0.00 0.02 0.00 0.00 54.13 54.16 1nqo s LEU 246 Cb -0.14 -2.52 -0.28 0.00 0.02 0.00 0.00 46.19 43.26 1nqo s LEU 246 CO 0.06 0.03 1.11 -0.33 0.02 0.00 0.00 176.35 177.25 1nqo h GLU 247 N 2.08 0.47 -6.04 1.70 5.08 -0.81 -3.46 114.58 113.60 1nqo h GLU 247 Ca -0.48 -0.70 -0.59 0.00 -1.00 0.00 0.00 59.36 56.58 1nqo h GLU 247 Cb 1.21 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1nqo h GLU 247 CO 0.63 1.32 -0.42 0.15 -1.00 0.00 0.00 179.01 179.70 1nqo s LYS 248 N -2.80 3.51 -0.12 2.33 1.02 -0.96 -5.07 119.74 117.64 1nqo s LYS 248 Ca -0.07 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 1nqo s LYS 248 Cb 0.06 -2.95 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1nqo s LYS 248 CO 0.92 0.53 0.97 -2.00 -0.92 0.00 0.00 175.35 174.85 1nqo s GLU 249 N -2.70 4.39 0.37 1.68 2.12 -1.26 -4.75 118.70 118.55 1nqo s GLU 249 Ca 0.37 1.32 0.04 0.00 0.36 0.00 0.00 54.97 57.06 1nqo s GLU 249 Cb -0.12 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 1nqo s GLU 249 CO 0.27 -0.32 0.12 0.14 -0.54 0.00 0.00 175.26 174.93 1nqo s VAL 250 N 2.07 0.65 0.22 3.70 -7.23 0.44 -5.03 120.40 115.22 1nqo s VAL 250 Ca 0.46 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.72 1nqo s VAL 250 Cb -0.18 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.24 1nqo s VAL 250 CO 0.16 0.00 -0.17 0.42 -0.31 0.00 0.00 175.10 175.21 1nqo s THR 251 N -3.32 1.98 0.19 5.32 -4.23 -1.26 -4.27 115.64 110.05 1nqo s THR 251 Ca 0.29 -2.25 -0.12 0.00 -1.18 0.00 0.00 61.69 58.43 1nqo s THR 251 Cb 0.04 -2.11 0.10 0.00 1.34 0.00 0.00 72.50 71.88 1nqo s THR 251 CO 0.15 -0.51 1.79 0.58 -0.54 0.00 0.00 174.62 176.09 1nqo h VAL 252 N 2.53 0.94 -0.97 2.29 2.07 -1.93 -1.29 116.25 119.89 1nqo h VAL 252 Ca -0.39 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.01 1nqo h VAL 252 Cb 1.23 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 1nqo h VAL 252 CO 0.60 0.10 0.62 -0.33 0.02 0.00 0.00 177.57 178.58 1nqo h GLU 253 N 0.54 1.08 -0.40 1.57 3.07 -1.97 -0.85 114.58 117.61 1nqo h GLU 253 Ca 0.25 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1nqo h GLU 253 Cb 0.17 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1nqo h GLU 253 CO -0.18 0.72 -0.05 1.49 -1.40 0.00 0.00 179.01 179.59 1nqo h GLU 254 N 1.11 0.75 -0.21 2.33 4.81 -1.74 -1.17 114.58 120.46 1nqo h GLU 254 Ca 0.42 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1nqo h GLU 254 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1nqo h GLU 254 CO -0.18 0.86 0.08 0.28 -0.73 0.00 0.00 179.01 179.32 1nqo h VAL 255 N 0.57 1.17 -0.45 0.32 2.07 -0.66 -2.10 116.25 117.16 1nqo h VAL 255 Ca 0.11 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1nqo h VAL 255 Cb 0.55 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1nqo h VAL 255 CO 0.03 0.17 -0.05 0.78 0.02 0.00 0.00 177.57 178.52 1nqo h ASN 256 N 0.19 0.74 -0.80 0.57 2.35 -1.15 -1.91 115.58 115.56 1nqo h ASN 256 Ca 0.07 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1nqo h ASN 256 Cb 0.18 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 1nqo h ASN 256 CO -0.01 0.84 0.44 0.00 -1.65 0.00 0.00 177.43 177.05 1nqo h ALA 257 N 1.24 1.03 -0.47 -0.83 0.00 -1.07 0.12 119.26 119.28 1nqo h ALA 257 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1nqo h ALA 257 Cb 0.50 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1nqo h ALA 257 CO 0.03 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.77 1nqo h ALA 258 N 1.23 0.64 -0.43 0.00 0.00 -1.09 -1.46 119.26 118.15 1nqo h ALA 258 Ca 0.28 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nqo h ALA 258 Cb 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nqo h ALA 258 CO -0.05 0.49 0.02 -0.07 0.00 0.00 0.00 179.25 179.64 1nqo h LEU 259 N 0.72 0.73 -0.21 0.00 3.38 -0.93 -1.96 115.31 117.04 1nqo h LEU 259 Ca 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1nqo h LEU 259 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1nqo h LEU 259 CO 0.03 0.84 0.11 0.50 0.09 0.00 0.00 178.44 180.02 1nqo h LYS 260 N 0.59 0.29 -0.78 1.13 3.64 -0.70 -0.23 116.57 120.51 1nqo h LYS 260 Ca 0.13 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1nqo h LYS 260 Cb 0.46 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1nqo h LYS 260 CO 0.02 0.27 0.49 0.00 -2.27 0.00 0.00 179.45 177.96 1nqo h ALA 261 N 1.00 1.04 -0.57 5.00 0.00 -1.19 0.18 119.26 124.72 1nqo h ALA 261 Ca 0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1nqo h ALA 261 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1nqo h ALA 261 CO -0.01 0.26 0.08 0.00 0.00 0.00 0.00 179.25 179.58 1nqo h ALA 262 N 1.35 0.76 -0.35 0.00 0.00 -1.10 -0.16 119.26 119.75 1nqo h ALA 262 Ca 0.32 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1nqo h ALA 262 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1nqo h ALA 262 CO -0.13 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 1nqo h ALA 263 N 1.00 1.31 -0.00 0.00 0.00 -0.08 -0.51 119.26 120.97 1nqo h ALA 263 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nqo h ALA 263 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nqo h ALA 263 CO 0.01 0.47 -0.46 0.39 0.00 0.00 0.00 179.25 179.66 1nqo n GLU 264 N -4.25 0.26 0.00 0.00 1.02 -0.04 -3.06 120.64 114.56 1nqo n GLU 264 Ca 0.01 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1nqo n GLU 264 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1nqo n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nqo n GLY 265 N 1.45 1.42 0.43 0.62 0.00 -0.09 -4.75 105.19 104.28 1nqo n GLY 265 Ca 0.07 0.00 0.33 0.00 0.00 0.00 0.00 46.02 46.42 1nqo n GLY 265 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nqo h GLU 266 N 0.00 0.14 -0.40 1.61 4.11 -1.77 -0.78 114.58 117.50 1nqo h GLU 266 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1nqo h GLU 266 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1nqo h GLU 266 CO 0.00 0.10 0.00 1.28 0.07 0.00 0.00 179.01 180.46 1nqo n LEU 267 N -4.78 3.86 -4.60 3.06 4.77 -0.24 -5.02 117.00 114.04 1nqo n LEU 267 Ca 0.35 -2.52 -0.51 0.00 -0.03 0.00 0.00 56.01 53.30 1nqo n LEU 267 Cb 1.29 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 1nqo n LEU 267 CO 0.18 0.73 0.93 1.17 -1.33 0.00 0.00 177.39 179.07 1nqo n LYS 268 N 0.30 1.32 0.00 3.23 4.81 -0.30 -0.36 118.16 127.15 1nqo n LYS 268 Ca 0.19 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1nqo n LYS 268 Cb 0.75 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.68 1nqo n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqo n GLY 269 N 2.59 3.04 0.23 3.14 0.00 -1.26 -4.76 105.19 108.16 1nqo n GLY 269 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1nqo n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqo n ILE 270 N -0.80 1.36 -4.54 -0.61 5.41 0.51 -4.40 119.36 116.30 1nqo n ILE 270 Ca 0.00 -0.36 -0.34 0.00 1.00 0.00 0.00 62.75 63.06 1nqo n ILE 270 Cb 0.00 -1.81 -0.12 0.00 -0.71 0.00 0.00 39.64 37.00 1nqo n ILE 270 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1nqo s LEU 271 N -7.29 3.15 0.37 1.39 2.96 -0.17 -1.24 118.68 117.86 1nqo s LEU 271 Ca -0.35 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1nqo s LEU 271 Cb 0.13 -1.73 -0.07 0.00 0.50 0.00 0.00 46.19 45.03 1nqo s LEU 271 CO 0.44 0.24 -0.01 0.00 -1.32 0.00 0.00 176.35 175.71 1nqo s ALA 272 N -0.10 3.14 -0.03 5.97 0.00 0.13 -4.46 121.76 126.41 1nqo s ALA 272 Ca 0.01 -2.15 0.01 0.00 0.00 0.00 0.00 51.96 49.83 1nqo s ALA 272 Cb -0.13 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1nqo s ALA 272 CO 0.03 -0.02 -0.02 -0.47 0.00 0.00 0.00 175.76 175.28 1nqo s TYR 273 N -2.63 0.47 -0.03 0.00 5.04 -1.26 -1.07 117.35 117.86 1nqo s TYR 273 Ca 0.35 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.91 1nqo s TYR 273 Cb 0.05 -0.49 0.02 0.00 0.35 0.00 0.00 41.96 41.89 1nqo s TYR 273 CO 0.18 -0.15 -0.01 0.45 -1.34 0.00 0.00 175.55 174.68 1nqo s SER 274 N 0.95 0.47 -0.09 4.32 0.15 -0.31 -4.90 113.70 114.30 1nqo s SER 274 Ca -0.11 -0.05 0.16 0.00 0.70 0.00 0.00 55.95 56.65 1nqo s SER 274 Cb -0.14 -0.22 0.54 0.00 -1.71 0.00 0.00 66.02 64.49 1nqo s SER 274 CO -0.01 -0.07 1.45 -0.62 1.20 0.00 0.00 173.24 175.20 1nqo n GLU 275 N 3.92 3.23 -3.39 5.44 1.02 -1.26 -0.83 120.64 128.77 1nqo n GLU 275 Ca -0.25 -2.61 -0.38 0.00 -0.02 0.00 0.00 57.16 53.91 1nqo n GLU 275 Cb 0.52 -1.68 -0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1nqo n GLU 275 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nqo s GLU 276 N -1.82 4.07 -1.35 3.49 0.41 -1.26 -4.75 118.70 117.49 1nqo s GLU 276 Ca 0.40 0.56 -0.16 0.00 -0.41 0.00 0.00 54.97 55.35 1nqo s GLU 276 Cb 0.26 -3.24 0.07 0.00 -1.78 0.00 0.00 34.13 29.44 1nqo s GLU 276 CO 0.18 0.64 1.89 -0.35 -0.49 0.00 0.00 175.26 177.12 1nqo n PRO 277 N 1.89 3.11 -2.97 0.39 -0.04 -1.26 -4.89 135.00 131.23 1nqo n PRO 277 Ca -0.12 -3.11 -0.19 0.00 -0.04 0.00 0.00 63.50 60.05 1nqo n PRO 277 Cb 0.52 -3.38 0.04 0.00 -0.04 0.00 0.00 33.50 30.64 1nqo n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqo s LEU 278 N 3.20 3.38 0.33 1.53 1.43 -1.26 -5.14 118.68 122.15 1nqo s LEU 278 Ca 0.50 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1nqo s LEU 278 Cb 0.07 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 1nqo s LEU 278 CO 0.02 -1.07 0.03 0.68 0.23 0.00 0.00 176.35 176.24 1nqo s VAL 279 N -2.54 1.38 0.28 -1.59 -7.23 -1.26 -5.04 120.40 104.39 1nqo s VAL 279 Ca 0.58 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1nqo s VAL 279 Cb -0.08 -2.75 0.28 0.00 0.56 0.00 0.00 36.38 34.39 1nqo s VAL 279 CO 0.36 -0.06 1.68 0.77 -0.31 0.00 0.00 175.10 177.54 1nqo h SER 280 N 2.11 0.15 -0.28 4.85 4.64 -1.97 0.51 113.55 123.56 1nqo h SER 280 Ca -0.41 0.17 0.08 0.00 -0.47 0.00 0.00 61.79 61.16 1nqo h SER 280 Cb 1.24 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 1nqo h SER 280 CO 0.71 -0.06 0.22 0.03 -0.87 0.00 0.00 176.83 176.86 1nqo h ARG 281 N 0.31 0.00 0.00 4.77 2.47 -1.97 -0.46 114.38 119.49 1nqo h ARG 281 Ca 0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.24 1nqo h ARG 281 Cb 0.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.31 1nqo h ARG 281 CO -0.56 0.00 0.00 -0.44 0.56 0.00 0.00 179.97 179.53 1nqo h ASP 282 N 0.00 0.00 -0.13 7.04 3.32 -1.30 -2.84 116.42 122.52 1nqo h ASP 282 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1nqo h ASP 282 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1nqo h ASP 282 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1nqo n TYR 283 N -2.97 0.13 -1.94 4.55 4.01 -0.19 -4.91 117.16 115.84 1nqo n TYR 283 Ca 0.01 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.90 57.25 1nqo n TYR 283 Cb 0.28 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 1nqo n TYR 283 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1nqo s ASN 284 N -1.76 6.45 0.00 7.72 2.47 -1.07 -1.09 114.94 127.65 1nqo s ASN 284 Ca 0.29 2.12 0.00 0.00 0.42 0.00 0.00 52.86 55.70 1nqo s ASN 284 Cb 0.20 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1nqo s ASN 284 CO 0.29 -1.12 0.00 0.61 -3.72 0.00 0.00 177.10 173.16 1nqo n GLY 285 N 4.48 0.49 3.74 1.21 0.00 -1.26 -5.06 105.19 108.78 1nqo n GLY 285 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1nqo n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqo s SER 286 N -2.23 6.40 0.02 1.61 0.15 -0.25 -4.92 113.70 114.49 1nqo s SER 286 Ca 0.00 2.90 0.22 0.00 0.70 0.00 0.00 55.95 59.78 1nqo s SER 286 Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1nqo s SER 286 CO 0.00 -0.92 0.96 0.35 1.20 0.00 0.00 173.24 174.83 1nqo n THR 287 N 2.73 0.09 -1.69 6.45 -2.24 -1.26 -2.84 114.28 115.52 1nqo n THR 287 Ca 0.10 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1nqo n THR 287 Cb 0.37 0.39 0.07 0.00 -2.10 0.00 0.00 70.33 69.06 1nqo n THR 287 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1nqo s VAL 288 N -3.17 3.28 -0.32 2.28 -7.23 -1.26 -4.39 120.40 109.59 1nqo s VAL 288 Ca 0.04 0.41 0.21 0.00 -1.81 0.00 0.00 61.98 60.84 1nqo s VAL 288 Cb 0.15 -3.26 0.16 0.00 0.56 0.00 0.00 36.38 33.99 1nqo s VAL 288 CO 0.82 -0.54 1.36 0.28 -0.31 0.00 0.00 175.10 176.71 1nqo h SER 289 N -0.90 0.00 -3.20 4.85 0.02 -1.38 -3.39 113.55 109.56 1nqo h SER 289 Ca -0.46 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1nqo h SER 289 Cb 1.26 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.56 1nqo h SER 289 CO 0.61 0.11 0.25 -0.55 -1.14 0.00 0.00 176.83 176.11 1nqo s SER 290 N -5.96 -0.66 -0.15 3.07 0.15 -0.97 -3.60 113.70 105.59 1nqo s SER 290 Ca 0.04 1.16 -0.01 0.00 0.70 0.00 0.00 55.95 57.84 1nqo s SER 290 Cb 0.07 1.22 0.04 0.00 -1.71 0.00 0.00 66.02 65.64 1nqo s SER 290 CO 0.73 -0.19 -0.05 -0.89 1.20 0.00 0.00 173.24 174.04 1nqo s THR 291 N 0.86 1.02 0.09 6.45 2.01 -0.26 0.19 115.64 126.01 1nqo s THR 291 Ca -0.04 -0.53 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 1nqo s THR 291 Cb -0.05 -1.19 -0.08 0.00 0.01 0.00 0.00 72.50 71.19 1nqo s THR 291 CO -0.10 0.16 1.61 -0.63 -0.69 0.00 0.00 174.62 174.97 1nqo s ILE 292 N 1.68 2.99 -1.06 1.82 -1.09 -0.24 -0.50 121.20 124.80 1nqo s ILE 292 Ca 0.02 0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 58.81 1nqo s ILE 292 Cb -0.15 -3.34 0.18 0.00 -1.58 0.00 0.00 42.46 37.57 1nqo s ILE 292 CO -0.08 0.01 1.22 -0.62 -1.23 0.00 0.00 174.94 174.24 1nqo s ASP 293 N 2.05 6.92 0.29 3.58 -1.08 0.71 -1.16 116.67 127.98 1nqo s ASP 293 Ca 0.72 -2.72 0.04 0.00 -0.52 0.00 0.00 52.55 50.08 1nqo s ASP 293 Cb -0.40 -2.36 0.70 0.00 -1.46 0.00 0.00 42.92 39.40 1nqo s ASP 293 CO 0.32 -0.78 1.77 0.00 0.52 0.00 0.00 175.17 177.00 1nqo h ALA 294 N 7.73 1.58 -0.07 3.66 0.00 -1.25 -0.73 119.26 130.17 1nqo h ALA 294 Ca 0.22 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1nqo h ALA 294 Cb 0.94 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nqo h ALA 294 CO 1.12 -0.06 0.09 -0.07 0.00 0.00 0.00 179.25 180.33 1nqo h LEU 295 N 0.73 0.00 -0.06 0.00 3.38 -1.86 -1.60 115.31 115.90 1nqo h LEU 295 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1nqo h LEU 295 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1nqo h LEU 295 CO -0.38 0.00 -0.30 -1.20 0.09 0.00 0.00 178.44 176.64 1nqo n SER 296 N -3.68 0.40 -4.72 -0.43 7.64 -0.28 -4.91 113.62 107.64 1nqo n SER 296 Ca -0.01 -0.13 -0.43 0.00 1.01 0.00 0.00 58.87 59.31 1nqo n SER 296 Cb 0.19 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 1nqo n SER 296 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nqo n THR 297 N -1.37 1.02 -3.85 0.44 -1.04 -0.60 -4.76 114.28 104.11 1nqo n THR 297 Ca 0.07 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.71 1nqo n THR 297 Cb 0.33 -1.78 -0.11 0.00 -1.82 0.00 0.00 70.33 66.95 1nqo n THR 297 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1nqo s MET 298 N -0.50 0.33 -0.03 -2.82 1.75 -0.75 -4.99 119.30 112.30 1nqo s MET 298 Ca 0.65 -0.10 -0.01 0.00 -1.25 0.00 0.00 55.69 54.98 1nqo s MET 298 Cb -0.55 0.14 0.02 0.00 2.84 0.00 0.00 34.83 37.28 1nqo s MET 298 CO 0.49 -0.07 0.06 0.08 -0.65 0.00 0.00 175.02 174.94 1nqo s VAL 299 N -0.66 -0.03 -0.09 10.11 1.01 -1.26 -0.47 120.40 129.01 1nqo s VAL 299 Ca -0.07 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1nqo s VAL 299 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 1nqo s VAL 299 CO 0.01 0.04 -0.20 -0.63 0.00 0.00 0.00 175.10 174.32 1nqo s ILE 300 N 0.59 2.44 -0.61 2.22 1.01 0.54 -4.60 121.20 122.77 1nqo s ILE 300 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1nqo s ILE 300 Cb -0.07 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.45 1nqo s ILE 300 CO -0.02 0.56 0.00 0.47 0.00 0.00 0.00 174.94 175.94 1nqo n ASP 301 N 3.26 -4.93 -0.04 3.58 8.00 -1.26 -0.95 116.55 124.20 1nqo n ASP 301 Ca -0.18 0.14 -0.00 0.00 0.71 0.00 0.00 54.79 55.46 1nqo n ASP 301 Cb 0.53 -3.41 -0.00 0.00 -0.02 0.00 0.00 41.12 38.21 1nqo n ASP 301 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqo n GLY 302 N 0.46 0.25 0.00 0.44 0.00 -1.26 -4.79 105.19 100.30 1nqo n GLY 302 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1nqo n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqo n LYS 303 N -0.76 1.19 -3.71 1.61 4.76 -0.13 -0.42 118.16 120.71 1nqo n LYS 303 Ca -0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 1nqo n LYS 303 Cb 0.29 -1.00 -0.09 0.00 -1.84 0.00 0.00 35.03 32.40 1nqo n LYS 303 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1nqo s MET 304 N -1.99 4.11 0.09 1.97 1.75 -0.66 -0.73 119.30 123.83 1nqo s MET 304 Ca 0.00 -0.25 0.08 0.00 -1.25 0.00 0.00 55.69 54.27 1nqo s MET 304 Cb 0.00 -3.47 -0.03 0.00 2.84 0.00 0.00 34.83 34.16 1nqo s MET 304 CO 0.00 0.17 -0.22 0.54 -0.65 0.00 0.00 175.02 174.86 1nqo s VAL 305 N 0.74 1.82 -0.14 10.11 0.11 -0.19 -0.34 120.40 132.51 1nqo s VAL 305 Ca 0.08 -1.47 0.02 0.00 -2.93 0.00 0.00 61.98 57.67 1nqo s VAL 305 Cb -0.12 -1.62 0.01 0.00 -1.53 0.00 0.00 36.38 33.12 1nqo s VAL 305 CO 0.02 0.07 -0.19 -0.75 -3.33 0.00 0.00 175.10 170.92 1nqo s LYS 306 N -1.67 2.75 -0.08 1.54 2.20 0.38 -1.13 119.74 123.73 1nqo s LYS 306 Ca 0.08 -0.75 0.02 0.00 -0.36 0.00 0.00 55.97 54.97 1nqo s LYS 306 Cb -0.10 -2.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.94 1nqo s LYS 306 CO 0.04 -0.09 -0.14 0.08 -0.36 0.00 0.00 175.35 174.88 1nqo s VAL 307 N 1.02 1.32 -0.11 4.02 1.01 -0.03 -1.80 120.40 125.81 1nqo s VAL 307 Ca -0.03 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 1nqo s VAL 307 Cb -0.15 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1nqo s VAL 307 CO -0.05 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 1nqo s VAL 308 N 0.68 3.28 -0.03 2.92 1.01 -1.26 -1.08 120.40 125.92 1nqo s VAL 308 Ca -0.14 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1nqo s VAL 308 Cb -0.16 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1nqo s VAL 308 CO 0.04 0.54 -0.01 -0.55 0.00 0.00 0.00 175.10 175.12 1nqo s SER 309 N 0.04 0.47 0.42 3.32 0.15 0.04 -0.21 113.70 117.94 1nqo s SER 309 Ca -0.03 -0.04 -0.13 0.00 0.70 0.00 0.00 55.95 56.45 1nqo s SER 309 Cb -0.14 -0.25 -0.07 0.00 -1.71 0.00 0.00 66.02 63.85 1nqo s SER 309 CO 0.04 -0.09 0.82 0.26 1.20 0.00 0.00 173.24 175.47 1nqo s TRP 310 N 0.97 3.45 -0.29 3.44 0.52 0.35 -0.06 118.94 127.32 1nqo s TRP 310 Ca -0.10 1.19 -0.15 0.00 0.02 0.00 0.00 56.10 57.06 1nqo s TRP 310 Cb -0.14 -2.56 0.11 0.00 -1.15 0.00 0.00 33.47 29.74 1nqo s TRP 310 CO -0.01 -0.14 0.76 1.52 0.02 0.00 0.00 176.95 179.10 1nqo s TYR 311 N -2.37 -0.98 -0.73 -1.98 1.13 -0.27 -1.10 117.35 111.06 1nqo s TYR 311 Ca 0.54 1.89 -0.27 0.00 -1.41 0.00 0.00 57.07 57.82 1nqo s TYR 311 Cb -0.10 0.59 0.02 0.00 -1.10 0.00 0.00 41.96 41.37 1nqo s TYR 311 CO 0.29 -0.49 1.34 0.34 -2.51 0.00 0.00 175.55 174.52 1nqo s ASP 312 N 1.82 6.07 0.58 -0.18 -1.08 -1.26 -0.11 116.67 122.50 1nqo s ASP 312 Ca -0.09 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 51.86 1nqo s ASP 312 Cb -0.06 -2.56 1.51 0.00 -1.46 0.00 0.00 42.92 40.36 1nqo s ASP 312 CO -0.19 -1.89 1.97 -0.55 0.52 0.00 0.00 175.17 175.04 1nqo h ASN 313 N 10.52 0.00 0.00 -0.34 -1.07 -1.90 -1.84 115.58 120.95 1nqo h ASN 313 Ca -0.28 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 55.90 1nqo h ASN 313 Cb 1.06 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.28 1nqo h ASN 313 CO 1.27 0.00 -1.09 -0.33 0.07 0.00 0.00 177.43 177.35 1nqo h GLU 314 N 0.00 0.00 0.17 4.14 5.08 -1.96 -3.38 114.58 118.64 1nqo h GLU 314 Ca 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1nqo h GLU 314 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1nqo h GLU 314 CO -0.00 0.89 -0.08 1.15 -1.00 0.00 0.00 179.01 179.97 1nqo h THR 315 N -1.00 0.91 -0.19 1.13 2.02 -1.78 -2.51 112.91 111.50 1nqo h THR 315 Ca -0.29 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 65.94 1nqo h THR 315 Cb 1.19 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1nqo h THR 315 CO -0.18 0.21 -0.09 1.23 0.37 0.00 0.00 175.52 177.06 1nqo h GLY 316 N -0.76 0.07 0.89 2.16 0.00 -1.18 -1.01 103.07 103.23 1nqo h GLY 316 Ca -0.02 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1nqo h GLY 316 CO 0.04 -0.11 0.35 -1.82 0.00 0.00 0.00 176.54 175.00 1nqo h TYR 317 N -0.08 0.66 -0.86 5.60 3.20 -1.71 -1.98 116.97 121.81 1nqo h TYR 317 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 1nqo h TYR 317 Cb 0.23 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1nqo h TYR 317 CO -0.25 0.38 0.47 0.77 -1.64 0.00 0.00 178.16 177.89 1nqo h SER 318 N 0.70 1.07 0.15 -2.11 0.02 -1.00 -0.96 113.55 111.42 1nqo h SER 318 Ca 0.23 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 1nqo h SER 318 Cb 0.01 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1nqo h SER 318 CO -0.09 0.87 -0.32 0.45 -1.14 0.00 0.00 176.83 176.59 1nqo h HIS 319 N 1.20 0.29 -0.19 3.45 3.86 -0.86 -2.22 115.15 120.68 1nqo h HIS 319 Ca 0.30 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.32 1nqo h HIS 319 Cb 0.03 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1nqo h HIS 319 CO 0.01 0.56 -0.41 0.00 0.86 0.00 0.00 177.93 178.94 1nqo h ARG 320 N 0.23 0.45 -0.44 2.45 2.47 -0.73 -0.60 114.38 118.21 1nqo h ARG 320 Ca 0.03 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.52 1nqo h ARG 320 Cb 0.68 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 1nqo h ARG 320 CO 0.05 0.79 0.26 0.28 0.56 0.00 0.00 179.97 181.91 1nqo h VAL 321 N 0.37 1.14 -0.59 2.04 2.07 -0.63 0.44 116.25 121.10 1nqo h VAL 321 Ca 0.03 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1nqo h VAL 321 Cb 0.89 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1nqo h VAL 321 CO 0.07 0.14 0.05 0.58 0.02 0.00 0.00 177.57 178.44 1nqo h VAL 322 N 0.58 1.26 -0.27 2.57 2.07 -1.16 0.00 116.25 121.31 1nqo h VAL 322 Ca 0.16 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1nqo h VAL 322 Cb 0.00 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1nqo h VAL 322 CO -0.03 0.39 0.12 0.44 0.02 0.00 0.00 177.57 178.51 1nqo h ASP 323 N 0.90 0.17 -0.82 0.57 3.32 -0.55 0.97 116.42 120.98 1nqo h ASP 323 Ca 0.17 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1nqo h ASP 323 Cb 0.48 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1nqo h ASP 323 CO 0.02 0.13 0.54 0.25 -1.72 0.00 0.00 179.24 178.46 1nqo h LEU 324 N 0.26 0.92 -0.49 1.55 5.85 0.21 0.25 115.31 123.86 1nqo h LEU 324 Ca 0.11 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 1nqo h LEU 324 Cb 0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1nqo h LEU 324 CO -0.09 0.66 -0.10 0.00 -0.34 0.00 0.00 178.44 178.57 1nqo h ALA 325 N 1.50 0.67 -0.34 1.25 0.00 -0.25 -0.75 119.26 121.33 1nqo h ALA 325 Ca 0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1nqo h ALA 325 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1nqo h ALA 325 CO -0.07 0.56 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 1nqo h ALA 326 N 0.90 0.47 -0.23 0.00 0.00 -0.05 -2.21 119.26 118.14 1nqo h ALA 326 Ca 0.13 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1nqo h ALA 326 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nqo h ALA 326 CO 0.04 0.30 0.11 -0.92 0.00 0.00 0.00 179.25 178.78 1nqo h TYR 327 N 0.44 0.20 -0.78 0.00 3.20 -0.40 -1.42 116.97 118.20 1nqo h TYR 327 Ca 0.09 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.01 1nqo h TYR 327 Cb 0.56 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.72 1nqo h TYR 327 CO 0.05 0.11 0.49 0.82 -1.64 0.00 0.00 178.16 177.99 1nqo h ILE 328 N 0.23 1.08 -0.62 1.81 2.04 -1.08 -2.29 117.51 118.68 1nqo h ILE 328 Ca 0.09 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1nqo h ILE 328 Cb 0.03 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1nqo h ILE 328 CO -0.07 0.17 0.16 0.00 0.00 0.00 0.00 178.15 178.41 1nqo h ALA 329 N 1.35 0.82 0.00 1.87 0.00 -1.01 -2.31 119.26 119.97 1nqo h ALA 329 Ca 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nqo h ALA 329 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1nqo h ALA 329 CO -0.14 0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 1nqo n SER 330 N -4.34 0.67 0.02 0.00 3.41 -0.57 -1.70 113.62 111.11 1nqo n SER 330 Ca 0.04 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1nqo n SER 330 Cb 0.24 -0.83 0.36 0.00 -0.26 0.00 0.00 64.21 63.72 1nqo n SER 330 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nqo n LYS 331 N -2.28 0.08 0.00 4.33 4.76 -0.87 -5.02 118.16 119.16 1nqo n LYS 331 Ca 0.01 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1nqo n LYS 331 Cb 0.17 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 1nqo n LYS 331 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqo n GLY 332 N 1.45 2.06 0.00 0.72 0.00 -0.69 -4.89 105.19 103.84 1nqo n GLY 332 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1nqo n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36