#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsq h ALA 3 N 0.00 -0.12 0.00 0.00 0.00 -2.00 -2.41 119.26 114.73 1nsq h ALA 3 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nsq h ALA 3 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nsq h ALA 3 CO 0.00 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 178.90 1nsq n ASN 4 N -5.02 0.00 -1.20 0.00 5.03 -1.26 -2.76 115.26 110.05 1nsq n ASN 4 Ca -0.08 -0.46 0.11 0.00 0.87 0.00 0.00 54.58 55.01 1nsq n ASN 4 Cb 0.18 -0.09 0.28 0.00 -1.02 0.00 0.00 39.78 39.13 1nsq n ASN 4 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1nsq n LYS 5 N -1.09 2.74 -1.81 3.52 5.02 -0.91 -3.29 118.16 122.33 1nsq n LYS 5 Ca 0.14 -2.52 -0.39 0.00 -2.02 0.00 0.00 58.31 53.52 1nsq n LYS 5 Cb 0.10 -1.51 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1nsq n LYS 5 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nsq s GLU 6 N -1.02 3.29 0.06 1.97 2.12 -1.11 -4.70 118.70 119.31 1nsq s GLU 6 Ca 0.43 2.25 0.05 0.00 0.36 0.00 0.00 54.97 58.06 1nsq s GLU 6 Cb 0.23 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 1nsq s GLU 6 CO 0.30 -1.08 -0.14 1.03 -0.54 0.00 0.00 175.26 174.83 1nsq s ARG 7 N -2.80 0.83 0.09 4.30 0.52 -1.26 -0.92 118.95 119.70 1nsq s ARG 7 Ca 0.69 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1nsq s ARG 7 Cb -0.40 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.20 1nsq s ARG 7 CO 0.49 0.19 -0.06 -0.08 0.02 0.00 0.00 175.30 175.86 1nsq s THR 8 N -1.16 0.60 -0.19 0.02 -1.32 -0.83 -4.74 115.64 108.02 1nsq s THR 8 Ca -0.02 -1.91 -0.08 0.00 -1.21 0.00 0.00 61.69 58.47 1nsq s THR 8 Cb -0.09 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 1nsq s THR 8 CO 0.02 -0.88 0.07 0.12 -2.21 0.00 0.00 174.62 171.74 1nsq s PHE 9 N -3.68 3.24 -0.03 9.09 5.36 -1.26 -2.32 117.98 128.37 1nsq s PHE 9 Ca 0.11 0.04 0.05 0.00 -0.96 0.00 0.00 56.93 56.17 1nsq s PHE 9 Cb 0.06 -2.10 -0.01 0.00 -0.34 0.00 0.00 43.02 40.63 1nsq s PHE 9 CO -0.05 0.10 -0.19 0.42 -1.46 0.00 0.00 175.22 174.04 1nsq s ILE 10 N 0.52 1.53 -0.03 3.12 -1.09 -0.45 -1.91 121.20 122.90 1nsq s ILE 10 Ca 0.03 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 1nsq s ILE 10 Cb -0.13 -1.29 0.03 0.00 -1.58 0.00 0.00 42.46 39.49 1nsq s ILE 10 CO 0.01 0.43 0.00 -0.32 -1.23 0.00 0.00 174.94 173.83 1nsq s MET 11 N -0.21 0.28 -0.21 2.79 -2.45 -1.26 -0.54 119.30 117.71 1nsq s MET 11 Ca 0.01 0.07 -0.25 0.00 -1.25 0.00 0.00 55.69 54.28 1nsq s MET 11 Cb -0.10 -0.46 -0.01 0.00 1.25 0.00 0.00 34.83 35.51 1nsq s MET 11 CO 0.01 -0.13 0.85 0.08 1.05 0.00 0.00 175.02 176.88 1nsq s VAL 12 N 0.99 4.84 0.85 10.11 1.01 -0.29 -4.36 120.40 133.55 1nsq s VAL 12 Ca -0.10 1.64 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1nsq s VAL 12 Cb -0.13 -4.14 0.10 0.00 0.00 0.00 0.00 36.38 32.20 1nsq s VAL 12 CO -0.02 -0.05 1.15 -0.54 0.00 0.00 0.00 175.10 175.65 1nsq s LYS 13 N 2.61 1.65 0.31 2.72 1.02 -0.34 -1.42 119.74 126.29 1nsq s LYS 13 Ca 0.37 0.24 0.05 0.00 0.02 0.00 0.00 55.97 56.65 1nsq s LYS 13 Cb -0.16 -1.90 0.69 0.00 -0.52 0.00 0.00 37.83 35.94 1nsq s LYS 13 CO 0.09 -1.84 1.82 -1.35 -0.92 0.00 0.00 175.35 173.16 1nsq h PRO 14 N -1.23 0.81 -0.14 -1.68 0.11 -1.84 0.18 132.00 128.20 1nsq h PRO 14 Ca -0.48 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1nsq h PRO 14 Cb 1.32 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1nsq h PRO 14 CO 0.64 0.54 -0.27 0.38 -0.21 0.00 0.00 178.00 179.07 1nsq h ASP 15 N 0.84 0.25 -0.59 -2.05 2.03 -1.88 -0.70 116.42 114.31 1nsq h ASP 15 Ca 0.52 -0.08 -0.10 0.00 -0.73 0.00 0.00 57.03 56.64 1nsq h ASP 15 Cb 0.71 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 39.12 1nsq h ASP 15 CO -0.29 0.53 -0.03 1.23 -1.03 0.00 0.00 179.24 179.65 1nsq h GLY 16 N 1.00 1.16 0.64 7.15 0.00 -1.13 -1.00 103.07 110.88 1nsq h GLY 16 Ca 0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.49 1nsq h GLY 16 CO 0.04 0.80 -0.01 -2.08 0.00 0.00 0.00 176.54 175.29 1nsq h VAL 17 N 0.97 1.31 -0.62 4.60 2.07 -1.21 -0.96 116.25 122.42 1nsq h VAL 17 Ca 0.17 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1nsq h VAL 17 Cb 0.59 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1nsq h VAL 17 CO 0.04 0.26 0.41 1.56 0.02 0.00 0.00 177.57 179.85 1nsq h GLN 18 N -0.31 0.71 -0.35 1.57 1.08 -1.05 -1.40 115.11 115.36 1nsq h GLN 18 Ca 0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1nsq h GLN 18 Cb 0.42 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1nsq h GLN 18 CO 0.00 0.47 0.00 0.54 -0.95 0.00 0.00 178.83 178.89 1nsq n ARG 19 N -4.46 1.82 -3.31 1.46 1.74 -0.39 -4.95 116.66 108.57 1nsq n ARG 19 Ca 0.07 -1.28 -0.17 0.00 -0.77 0.00 0.00 57.85 55.71 1nsq n ARG 19 Cb 0.13 -1.29 0.07 0.00 -1.02 0.00 0.00 32.46 30.36 1nsq n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nsq n GLY 20 N 1.07 -0.29 0.62 -0.13 0.00 -0.53 -4.95 105.19 100.99 1nsq n GLY 20 Ca 0.12 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1nsq n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nsq n LEU 21 N -3.96 2.74 0.10 0.99 4.77 -0.38 -4.75 117.00 116.52 1nsq n LEU 21 Ca -0.15 -1.79 -0.12 0.00 -0.03 0.00 0.00 56.01 53.91 1nsq n LEU 21 Cb 0.61 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1nsq n LEU 21 CO 0.54 0.66 0.78 0.58 -1.33 0.00 0.00 177.39 178.62 1nsq h VAL 22 N 2.13 0.72 -0.56 4.08 2.07 -1.89 -1.98 116.25 120.82 1nsq h VAL 22 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1nsq h VAL 22 Cb 0.68 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1nsq h VAL 22 CO 0.00 0.00 0.25 1.23 0.02 0.00 0.00 177.57 179.07 1nsq h GLY 23 N -0.26 0.88 1.03 2.17 0.00 -1.97 -1.79 103.07 103.12 1nsq h GLY 23 Ca 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1nsq h GLY 23 CO -0.04 0.44 0.65 0.50 0.00 0.00 0.00 176.54 178.08 1nsq h LYS 24 N 0.76 1.28 -0.23 4.80 1.57 -1.86 0.86 116.57 123.76 1nsq h LYS 24 Ca 0.19 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1nsq h LYS 24 Cb 0.16 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1nsq h LYS 24 CO -0.02 0.85 -0.15 0.82 -0.57 0.00 0.00 179.45 180.38 1nsq h ILE 25 N 1.32 1.31 -0.73 1.86 2.04 -1.09 -2.68 117.51 119.54 1nsq h ILE 25 Ca 0.36 -1.25 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1nsq h ILE 25 Cb -0.14 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1nsq h ILE 25 CO -0.08 0.39 0.40 0.40 0.00 0.00 0.00 178.15 179.25 1nsq h ILE 26 N 0.21 1.22 -0.77 -0.67 2.04 -1.04 -2.66 117.51 115.84 1nsq h ILE 26 Ca 0.05 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.38 1nsq h ILE 26 Cb 0.66 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 1nsq h ILE 26 CO 0.04 0.25 0.51 -0.08 0.00 0.00 0.00 178.15 178.87 1nsq h GLU 27 N 1.01 0.92 -0.58 2.37 4.81 -0.77 -1.23 114.58 121.10 1nsq h GLU 27 Ca 0.26 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1nsq h GLU 27 Cb 0.04 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1nsq h GLU 27 CO -0.04 0.61 0.19 0.00 -0.73 0.00 0.00 179.01 179.04 1nsq h ARG 28 N 0.95 0.87 -0.03 1.92 3.08 -1.12 -1.16 114.38 118.89 1nsq h ARG 28 Ca 0.31 -0.16 -0.22 0.00 0.07 0.00 0.00 59.98 59.97 1nsq h ARG 28 Cb 0.04 -0.14 0.02 0.00 0.08 0.00 0.00 29.97 29.97 1nsq h ARG 28 CO -0.09 0.75 -0.85 0.74 -1.07 0.00 0.00 179.97 179.46 1nsq h PHE 29 N 0.85 0.91 -0.43 3.04 -1.00 -1.30 -3.10 116.94 115.92 1nsq h PHE 29 Ca 0.19 -0.47 -0.02 0.00 2.81 0.00 0.00 57.97 60.48 1nsq h PHE 29 Cb 0.24 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1nsq h PHE 29 CO 0.02 1.30 0.20 0.93 -1.61 0.00 0.00 178.31 179.15 1nsq h GLU 30 N 0.26 0.62 -0.01 1.51 5.08 -1.14 -2.85 114.58 118.05 1nsq h GLU 30 Ca -0.10 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1nsq h GLU 30 Cb 1.51 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1nsq h GLU 30 CO 0.17 0.54 -0.31 -0.56 -1.00 0.00 0.00 179.01 177.84 1nsq h GLN 31 N 0.55 0.01 0.00 2.33 3.07 -1.32 -2.82 115.11 116.93 1nsq h GLN 31 Ca 0.15 -0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.82 1nsq h GLN 31 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.67 1nsq h GLN 31 CO -0.02 0.32 -0.30 -0.22 0.09 0.00 0.00 178.83 178.70 1nsq h LYS 32 N 0.01 0.00 0.00 0.06 1.63 -1.43 -3.47 116.57 113.37 1nsq h LYS 32 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nsq h LYS 32 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1nsq h LYS 32 CO 0.04 0.30 0.00 0.41 -3.45 0.00 0.00 179.45 176.75 1nsq n GLY 33 N -0.55 1.25 3.77 5.01 0.00 -1.06 -5.11 105.19 108.50 1nsq n GLY 33 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1nsq n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nsq s PHE 34 N -2.00 2.69 -0.24 1.61 0.08 -1.09 -5.02 117.98 114.01 1nsq s PHE 34 Ca 0.00 1.54 -0.09 0.00 0.12 0.00 0.00 56.93 58.50 1nsq s PHE 34 Cb 0.00 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.11 1nsq s PHE 34 CO 0.00 -1.57 0.12 0.21 -0.10 0.00 0.00 175.22 173.88 1nsq s LYS 35 N -3.23 3.92 0.11 0.44 2.20 -0.49 -4.50 119.74 118.20 1nsq s LYS 35 Ca 0.72 -0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.68 1nsq s LYS 35 Cb -0.24 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.57 1nsq s LYS 35 CO 0.28 0.00 1.23 -1.17 -0.36 0.00 0.00 175.35 175.33 1nsq s LEU 36 N 1.18 4.40 -0.05 5.43 2.96 -1.26 -0.39 118.68 130.94 1nsq s LEU 36 Ca 0.06 2.15 0.05 0.00 -0.22 0.00 0.00 54.13 56.17 1nsq s LEU 36 Cb -0.14 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1nsq s LEU 36 CO 0.05 -0.47 0.04 0.52 -1.32 0.00 0.00 176.35 175.17 1nsq n VAL 37 N 3.43 0.32 -3.50 1.68 0.31 0.11 -4.91 118.33 115.76 1nsq n VAL 37 Ca 0.08 -0.22 -0.16 0.00 -0.01 0.00 0.00 64.34 64.03 1nsq n VAL 37 Cb 0.45 -0.61 -0.05 0.00 -0.91 0.00 0.00 33.84 32.72 1nsq n VAL 37 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nsq s ALA 38 N -2.20 -1.67 -0.26 3.52 0.00 -1.13 -0.62 121.76 119.41 1nsq s ALA 38 Ca -0.03 1.00 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 1nsq s ALA 38 Cb 0.02 0.29 0.11 0.00 0.00 0.00 0.00 23.12 23.54 1nsq s ALA 38 CO 0.24 -0.49 0.95 -1.17 0.00 0.00 0.00 175.76 175.28 1nsq s LEU 39 N -1.71 -0.52 0.10 0.00 2.96 -1.26 -1.43 118.68 116.82 1nsq s LEU 39 Ca -0.07 0.96 -0.25 0.00 -0.22 0.00 0.00 54.13 54.55 1nsq s LEU 39 Cb -0.00 2.04 0.08 0.00 0.50 0.00 0.00 46.19 48.80 1nsq s LEU 39 CO 0.02 -0.20 0.71 -1.59 -1.32 0.00 0.00 176.35 173.97 1nsq s LYS 40 N 0.12 1.10 -0.16 1.98 -2.85 -0.98 -5.03 119.74 113.93 1nsq s LYS 40 Ca 0.02 -0.40 -0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1nsq s LYS 40 Cb -0.04 0.51 -0.00 0.00 -2.06 0.00 0.00 37.83 36.23 1nsq s LYS 40 CO -0.03 -0.48 -0.14 0.12 0.10 0.00 0.00 175.35 174.92 1nsq s PHE 41 N -3.48 2.81 0.18 1.78 5.36 -1.26 -2.96 117.98 120.41 1nsq s PHE 41 Ca 0.02 -1.01 -0.20 0.00 -0.96 0.00 0.00 56.93 54.78 1nsq s PHE 41 Cb -0.01 -1.91 0.05 0.00 -0.34 0.00 0.00 43.02 40.81 1nsq s PHE 41 CO -0.11 -0.47 0.56 -0.08 -1.46 0.00 0.00 175.22 173.66 1nsq s THR 42 N 0.86 0.02 -0.34 0.12 -1.32 -0.46 -5.00 115.64 109.51 1nsq s THR 42 Ca -0.04 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.93 1nsq s THR 42 Cb -0.15 -1.28 -0.00 0.00 -1.51 0.00 0.00 72.50 69.55 1nsq s THR 42 CO -0.00 -0.08 0.19 0.86 -2.21 0.00 0.00 174.62 173.38 1nsq s TRP 43 N -3.81 3.21 0.13 9.09 -0.11 -1.26 -0.15 118.94 126.04 1nsq s TRP 43 Ca 0.04 -0.56 -0.30 0.00 1.22 0.00 0.00 56.10 56.50 1nsq s TRP 43 Cb -0.01 -2.42 -0.07 0.00 -1.50 0.00 0.00 33.47 29.48 1nsq s TRP 43 CO -0.08 -0.48 1.12 0.00 -4.62 0.00 0.00 176.95 172.89 1nsq s ALA 44 N 1.63 3.36 0.71 5.86 0.00 -1.26 -5.01 121.76 127.06 1nsq s ALA 44 Ca 0.04 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1nsq s ALA 44 Cb -0.18 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1nsq s ALA 44 CO 0.08 -0.27 1.07 -1.54 0.00 0.00 0.00 175.76 175.09 1nsq s SER 45 N 0.30 5.27 0.26 0.00 1.04 -1.26 -4.61 113.70 114.70 1nsq s SER 45 Ca 0.52 1.50 0.01 0.00 0.48 0.00 0.00 55.95 58.46 1nsq s SER 45 Cb -0.29 -2.36 0.33 0.00 0.10 0.00 0.00 66.02 63.80 1nsq s SER 45 CO 0.33 -1.50 1.68 0.11 0.98 0.00 0.00 173.24 174.83 1nsq h LYS 46 N -0.76 0.53 -0.75 4.02 1.57 -1.96 -1.17 116.57 118.06 1nsq h LYS 46 Ca -0.45 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.09 1nsq h LYS 46 Cb 1.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1nsq h LYS 46 CO 0.58 0.77 0.38 0.93 -0.57 0.00 0.00 179.45 181.54 1nsq h GLU 47 N 0.46 1.05 -0.17 3.15 3.07 -1.99 0.88 114.58 121.04 1nsq h GLU 47 Ca 0.06 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.63 1nsq h GLU 47 Cb 0.74 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1nsq h GLU 47 CO 0.06 0.80 -0.48 1.25 -1.40 0.00 0.00 179.01 179.24 1nsq h LEU 48 N 1.05 0.72 -1.09 1.33 5.85 -1.87 -3.17 115.31 118.13 1nsq h LEU 48 Ca 0.26 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1nsq h LEU 48 Cb 0.08 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1nsq h LEU 48 CO -0.04 1.18 0.62 -0.07 -0.34 0.00 0.00 178.44 179.79 1nsq h LEU 49 N 0.29 1.07 -1.24 2.25 3.38 -0.52 -0.41 115.31 120.13 1nsq h LEU 49 Ca -0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1nsq h LEU 49 Cb 1.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1nsq h LEU 49 CO 0.10 0.77 -0.30 -0.33 0.09 0.00 0.00 178.44 178.78 1nsq h GLU 50 N 1.26 0.00 -0.01 1.13 5.08 -0.90 0.35 114.58 121.49 1nsq h GLU 50 Ca 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1nsq h GLU 50 Cb -0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1nsq h GLU 50 CO -0.07 0.30 -0.04 0.87 -1.00 0.00 0.00 179.01 179.06 1nsq h LYS 51 N 0.00 0.04 -0.80 2.33 1.57 -1.35 0.53 116.57 118.89 1nsq h LYS 51 Ca -0.00 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1nsq h LYS 51 Cb 0.71 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 1nsq h LYS 51 CO 0.04 0.73 0.52 1.25 -0.57 0.00 0.00 179.45 181.42 1nsq h HIS 52 N -0.63 0.92 -0.50 -1.35 2.76 -0.75 -2.01 115.15 113.59 1nsq h HIS 52 Ca -0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1nsq h HIS 52 Cb 0.74 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1nsq h HIS 52 CO 0.17 0.51 0.00 0.66 -1.30 0.00 0.00 177.93 177.97 1nsq n TYR 53 N -4.46 0.65 -0.23 5.26 4.01 0.12 -4.69 117.16 117.82 1nsq n TYR 53 Ca 0.11 -0.33 0.13 0.00 -0.16 0.00 0.00 57.90 57.66 1nsq n TYR 53 Cb 0.16 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.44 1nsq n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1nsq n ALA 54 N 1.40 0.45 0.27 -0.72 0.00 0.19 0.29 120.51 122.38 1nsq n ALA 54 Ca 0.21 0.73 0.12 0.00 0.00 0.00 0.00 53.44 54.50 1nsq n ALA 54 Cb 0.57 -0.58 0.77 0.00 0.00 0.00 0.00 19.45 20.21 1nsq n ALA 54 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nsq h ASP 55 N 0.00 0.00 -0.51 0.00 5.19 -1.84 -1.71 116.42 117.56 1nsq h ASP 55 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1nsq h ASP 55 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1nsq h ASP 55 CO -0.62 0.05 0.00 0.18 -3.12 0.00 0.00 179.24 175.73 1nsq n LEU 56 N -3.98 4.00 -0.31 1.55 4.77 0.14 -4.58 117.00 118.60 1nsq n LEU 56 Ca -0.03 -2.02 0.08 0.00 -0.03 0.00 0.00 56.01 54.01 1nsq n LEU 56 Cb 0.14 -0.53 0.24 0.00 -2.33 0.00 0.00 43.42 40.94 1nsq n LEU 56 CO 0.30 0.64 1.11 0.28 -1.33 0.00 0.00 177.39 178.40 1nsq h SER 57 N 3.23 0.57 0.81 -1.43 0.02 -1.36 -0.44 113.55 114.95 1nsq h SER 57 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1nsq h SER 57 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1nsq h SER 57 CO 0.22 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.13 1nsq n ALA 58 N -2.41 2.26 -1.94 3.77 0.00 -1.26 -4.88 120.51 116.05 1nsq n ALA 58 Ca 0.18 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 1nsq n ALA 58 Cb 0.46 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1nsq n ALA 58 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nsq s ARG 59 N -2.88 4.46 0.50 0.00 1.81 -0.17 -4.94 118.95 117.73 1nsq s ARG 59 Ca 0.17 1.97 0.26 0.00 -1.72 0.00 0.00 55.73 56.41 1nsq s ARG 59 Cb 0.18 -3.19 1.34 0.00 -0.45 0.00 0.00 34.95 32.83 1nsq s ARG 59 CO 0.47 -0.10 2.03 -1.00 -0.68 0.00 0.00 175.30 176.01 1nsq h PRO 60 N 4.73 0.00 -0.08 3.54 0.13 -1.89 -1.18 132.00 137.25 1nsq h PRO 60 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1nsq h PRO 60 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1nsq h PRO 60 CO 0.73 0.15 0.00 1.97 -0.23 0.00 0.00 178.00 180.61 1nsq n PHE 61 N -3.66 0.09 -0.09 1.56 1.16 -1.26 -4.34 117.46 110.93 1nsq n PHE 61 Ca -0.02 -0.04 -0.08 0.00 -1.87 0.00 0.00 57.45 55.44 1nsq n PHE 61 Cb 0.27 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.13 1nsq n PHE 61 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nsq h PHE 62 N 2.71 0.29 -0.53 2.97 3.57 -1.44 -1.77 116.94 122.74 1nsq h PHE 62 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1nsq h PHE 62 Cb 0.58 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 1nsq h PHE 62 CO 0.04 0.16 0.31 -1.35 -2.23 0.00 0.00 178.31 175.24 1nsq h PRO 63 N 0.33 0.72 -0.00 6.41 0.11 -1.78 -1.74 132.00 136.05 1nsq h PRO 63 Ca 0.13 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 1nsq h PRO 63 Cb 0.04 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 1nsq h PRO 63 CO -0.08 0.54 -0.54 0.78 -0.21 0.00 0.00 178.00 178.48 1nsq h GLY 64 N 0.71 0.01 0.79 -0.55 0.00 -1.83 -1.72 103.07 100.48 1nsq h GLY 64 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1nsq h GLY 64 CO -0.03 0.01 -0.16 -2.00 0.00 0.00 0.00 176.54 174.35 1nsq h LEU 65 N 0.00 -0.38 -0.97 3.11 5.85 -1.05 0.41 115.31 122.30 1nsq h LEU 65 Ca -0.01 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.65 1nsq h LEU 65 Cb 0.96 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1nsq h LEU 65 CO 0.07 -0.10 0.63 0.58 -0.34 0.00 0.00 178.44 179.28 1nsq h VAL 66 N -0.66 1.13 0.00 1.05 2.07 -1.29 -0.32 116.25 118.24 1nsq h VAL 66 Ca -0.05 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1nsq h VAL 66 Cb 0.47 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1nsq h VAL 66 CO 0.07 0.22 -0.04 0.78 0.02 0.00 0.00 177.57 178.62 1nsq h ASN 67 N 1.18 -0.10 -0.32 0.57 2.35 -1.08 -1.89 115.58 116.29 1nsq h ASN 67 Ca 0.40 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.14 1nsq h ASN 67 Cb 0.06 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1nsq h ASN 67 CO -0.14 -0.06 0.10 0.22 -1.65 0.00 0.00 177.43 175.90 1nsq h TYR 68 N -0.07 0.52 0.00 1.19 3.20 0.42 -2.76 116.97 119.48 1nsq h TYR 68 Ca 0.02 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1nsq h TYR 68 Cb 0.08 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1nsq h TYR 68 CO -0.11 0.52 0.00 -1.33 -1.64 0.00 0.00 178.16 175.60 1nsq n MET 69 N -4.68 0.15 -0.34 1.82 2.81 -0.18 -0.59 117.12 116.11 1nsq n MET 69 Ca -0.02 0.44 0.12 0.00 -1.81 0.00 0.00 57.70 56.43 1nsq n MET 69 Cb 0.17 -1.81 0.31 0.00 -0.71 0.00 0.00 33.22 31.17 1nsq n MET 69 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1nsq n ASN 70 N -2.10 3.87 -0.12 7.83 2.85 -0.72 -4.42 115.26 122.45 1nsq n ASN 70 Ca 0.02 -2.00 0.12 0.00 -0.11 0.00 0.00 54.58 52.61 1nsq n ASN 70 Cb 0.17 -0.45 0.27 0.00 1.24 0.00 0.00 39.78 41.01 1nsq n ASN 70 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nsq n SER 71 N 1.64 0.81 -3.79 1.20 3.41 0.24 -4.95 113.62 112.18 1nsq n SER 71 Ca 0.24 -0.61 -0.07 0.00 -0.26 0.00 0.00 58.87 58.16 1nsq n SER 71 Cb 0.62 0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 64.82 1nsq n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nsq s GLY 72 N -2.77 -0.17 0.70 5.00 0.00 -1.26 -5.11 107.32 103.70 1nsq s GLY 72 Ca 0.17 -0.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 1nsq s GLY 72 CO 0.63 -0.04 1.09 2.56 0.00 0.00 0.00 173.10 177.34 1nsq s PRO 73 N -3.79 2.68 0.25 2.90 0.04 -1.26 -4.64 135.00 131.17 1nsq s PRO 73 Ca 0.10 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.46 1nsq s PRO 73 Cb -0.05 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1nsq s PRO 73 CO 0.04 -1.33 -0.08 0.14 0.04 0.00 0.00 177.00 175.82 1nsq s VAL 74 N -2.62 1.57 -0.48 -0.36 -7.23 0.78 -3.70 120.40 108.37 1nsq s VAL 74 Ca 0.64 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1nsq s VAL 74 Cb -0.18 -2.30 0.14 0.00 0.56 0.00 0.00 36.38 34.59 1nsq s VAL 74 CO 0.47 -0.40 0.26 -0.69 -0.31 0.00 0.00 175.10 174.43 1nsq s VAL 75 N -3.07 1.89 0.34 1.32 1.01 -0.50 -1.36 120.40 120.02 1nsq s VAL 75 Ca 0.27 -2.91 -0.20 0.00 0.00 0.00 0.00 61.98 59.13 1nsq s VAL 75 Cb 0.03 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 1nsq s VAL 75 CO 0.10 -0.87 0.85 -2.16 0.00 0.00 0.00 175.10 173.01 1nsq s PRO 76 N 0.03 4.26 0.20 2.72 0.04 -1.15 -1.14 135.00 139.96 1nsq s PRO 76 Ca 0.18 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 62.04 1nsq s PRO 76 Cb -0.24 -2.53 0.03 0.00 0.04 0.00 0.00 34.50 31.80 1nsq s PRO 76 CO -0.01 0.18 0.54 0.00 0.04 0.00 0.00 177.00 177.74 1nsq s MET 77 N -2.62 1.42 -0.03 4.56 0.23 0.30 -2.32 119.30 120.84 1nsq s MET 77 Ca 0.53 -0.89 0.04 0.00 -1.03 0.00 0.00 55.69 54.35 1nsq s MET 77 Cb -0.13 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.69 1nsq s MET 77 CO 0.18 -0.61 -0.16 0.08 -2.03 0.00 0.00 175.02 172.49 1nsq s VAL 78 N -3.88 1.27 0.04 5.16 1.01 -0.51 -1.34 120.40 122.15 1nsq s VAL 78 Ca 0.10 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1nsq s VAL 78 Cb -0.01 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1nsq s VAL 78 CO -0.02 0.37 -0.22 0.26 0.00 0.00 0.00 175.10 175.49 1nsq s TRP 79 N -0.11 1.95 0.08 5.22 0.52 -0.98 -0.71 118.94 124.90 1nsq s TRP 79 Ca 0.01 -0.38 0.09 0.00 0.02 0.00 0.00 56.10 55.83 1nsq s TRP 79 Cb -0.09 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 1nsq s TRP 79 CO 0.01 0.10 -0.25 -2.00 0.02 0.00 0.00 176.95 174.83 1nsq s GLU 80 N -1.20 1.53 0.00 4.98 2.12 0.47 -1.97 118.70 124.63 1nsq s GLU 80 Ca 0.09 -1.15 0.00 0.00 0.36 0.00 0.00 54.97 54.27 1nsq s GLU 80 Cb -0.09 -1.80 0.00 0.00 0.26 0.00 0.00 34.13 32.50 1nsq s GLU 80 CO 0.02 0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1nsq n GLY 81 N 1.47 2.60 3.67 -1.50 0.00 -0.10 -1.39 105.19 109.93 1nsq n GLY 81 Ca -0.18 -0.89 -0.48 0.00 0.00 0.00 0.00 46.02 44.47 1nsq n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nsq n LEU 82 N 0.00 3.43 -1.79 0.99 7.94 -1.23 -2.17 117.00 124.18 1nsq n LEU 82 Ca 0.00 0.91 -0.20 0.00 -1.11 0.00 0.00 56.01 55.61 1nsq n LEU 82 Cb 0.00 -1.38 -0.06 0.00 0.53 0.00 0.00 43.42 42.51 1nsq n LEU 82 CO 0.00 -0.09 -0.21 -3.20 -1.11 0.00 0.00 177.39 172.77 1nsq n ASN 83 N 7.11 -5.51 0.02 1.96 5.15 -1.26 -4.90 115.26 117.82 1nsq n ASN 83 Ca 0.24 0.32 0.21 0.00 -0.60 0.00 0.00 54.58 54.75 1nsq n ASN 83 Cb 0.30 -4.69 0.72 0.00 -0.53 0.00 0.00 39.78 35.58 1nsq n ASN 83 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1nsq h VAL 84 N 0.00 0.61 0.21 3.44 3.04 -1.72 -2.24 116.25 119.59 1nsq h VAL 84 Ca -0.43 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1nsq h VAL 84 Cb 1.32 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1nsq h VAL 84 CO 0.59 0.00 -0.10 0.58 -1.01 0.00 0.00 177.57 177.63 1nsq h VAL 85 N 0.00 0.87 -0.29 1.51 2.07 -1.87 0.26 116.25 118.81 1nsq h VAL 85 Ca 0.25 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1nsq h VAL 85 Cb 1.07 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1nsq h VAL 85 CO -0.00 0.11 -0.15 0.50 0.02 0.00 0.00 177.57 178.05 1nsq h LYS 86 N -0.54 0.61 -0.29 1.57 3.64 -1.84 -2.47 116.57 117.25 1nsq h LYS 86 Ca -0.03 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 58.92 1nsq h LYS 86 Cb 0.40 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1nsq h LYS 86 CO 0.05 0.85 -0.44 1.15 -2.27 0.00 0.00 179.45 178.78 1nsq h THR 87 N 0.35 1.29 -0.47 1.00 2.02 -1.46 -2.19 112.91 113.44 1nsq h THR 87 Ca 0.06 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.59 1nsq h THR 87 Cb 0.68 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 1nsq h THR 87 CO 0.04 0.53 0.19 1.23 0.37 0.00 0.00 175.52 177.89 1nsq h GLY 88 N 0.90 0.72 0.99 2.16 0.00 -0.49 -1.26 103.07 106.09 1nsq h GLY 88 Ca 0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1nsq h GLY 88 CO 0.10 0.33 -0.00 3.21 0.00 0.00 0.00 176.54 180.17 1nsq h ARG 89 N 0.67 0.82 -0.69 4.80 2.47 -1.20 -2.27 114.38 118.99 1nsq h ARG 89 Ca 0.16 -0.26 0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1nsq h ARG 89 Cb 0.13 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.34 1nsq h ARG 89 CO -0.02 0.88 0.45 1.96 0.56 0.00 0.00 179.97 183.80 1nsq h GLN 90 N 0.67 0.89 -0.67 0.04 4.20 -0.70 -2.01 115.11 117.54 1nsq h GLN 90 Ca 0.13 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1nsq h GLN 90 Cb 0.51 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1nsq h GLN 90 CO 0.02 0.59 0.31 0.52 -0.67 0.00 0.00 178.83 179.60 1nsq h MET 91 N 0.92 0.98 -0.22 1.46 2.86 -1.13 -2.69 114.93 117.11 1nsq h MET 91 Ca 0.25 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1nsq h MET 91 Cb -0.09 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1nsq h MET 91 CO -0.06 0.79 -0.22 -0.07 1.06 0.00 0.00 176.91 178.41 1nsq h LEU 92 N 0.94 0.39 0.00 1.22 4.07 -1.18 0.03 115.31 120.78 1nsq h LEU 92 Ca 0.23 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1nsq h LEU 92 Cb 0.15 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1nsq h LEU 92 CO -0.03 0.62 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 1nsq n GLY 93 N -0.51 -0.55 3.67 0.83 0.00 -0.77 -1.42 105.19 106.44 1nsq n GLY 93 Ca -0.00 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 1nsq n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nsq n ALA 94 N -0.25 0.82 -0.28 4.61 0.00 -1.26 -4.88 120.51 119.26 1nsq n ALA 94 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1nsq n ALA 94 Cb 0.00 -2.21 0.31 0.00 0.00 0.00 0.00 19.45 17.56 1nsq n ALA 94 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nsq h THR 95 N 1.35 0.95 -3.60 0.00 2.02 -1.96 -3.35 112.91 108.33 1nsq h THR 95 Ca -0.48 -0.29 -0.65 0.00 0.77 0.00 0.00 66.41 65.76 1nsq h THR 95 Cb 1.33 0.03 -0.15 0.00 -1.74 0.00 0.00 68.15 67.62 1nsq h THR 95 CO 0.56 0.15 0.19 0.21 0.37 0.00 0.00 175.52 177.00 1nsq s ASN 96 N -5.91 6.35 0.57 4.18 3.84 -1.26 -4.76 114.94 117.95 1nsq s ASN 96 Ca -0.11 -0.26 0.33 0.00 0.21 0.00 0.00 52.86 53.04 1nsq s ASN 96 Cb 0.21 -2.34 1.43 0.00 -0.55 0.00 0.00 41.25 40.01 1nsq s ASN 96 CO 0.79 -0.81 1.73 -0.65 -2.79 0.00 0.00 177.10 175.38 1nsq h PRO 97 N 8.88 0.00 0.00 0.43 0.11 -1.78 0.31 132.00 139.95 1nsq h PRO 97 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1nsq h PRO 97 Cb 1.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nsq h PRO 97 CO 0.91 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.65 1nsq h ALA 98 N 1.25 1.91 0.00 -0.75 0.00 -1.89 -1.52 119.26 118.27 1nsq h ALA 98 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1nsq h ALA 98 Cb 2.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1nsq h ALA 98 CO -0.00 0.05 -1.10 -0.25 0.00 0.00 0.00 179.25 177.95 1nsq n ASP 99 N -4.47 0.67 -4.73 0.00 8.00 0.11 -4.95 116.55 111.17 1nsq n ASP 99 Ca -0.03 -0.51 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 1nsq n ASP 99 Cb 0.13 0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 42.19 1nsq n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nsq s SER 100 N -3.53 6.81 0.39 -2.24 0.01 -0.57 -4.64 113.70 109.92 1nsq s SER 100 Ca 0.05 2.47 -0.14 0.00 1.31 0.00 0.00 55.95 59.63 1nsq s SER 100 Cb 0.15 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1nsq s SER 100 CO 0.83 -0.61 0.81 -0.76 0.41 0.00 0.00 173.24 173.92 1nsq s LEU 101 N 0.10 3.91 0.36 2.44 1.43 -1.26 -4.47 118.68 121.20 1nsq s LEU 101 Ca 0.59 1.32 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 1nsq s LEU 101 Cb -0.38 -4.17 -0.11 0.00 0.03 0.00 0.00 46.19 41.55 1nsq s LEU 101 CO 0.38 -0.34 1.50 -2.84 0.23 0.00 0.00 176.35 175.28 1nsq s PRO 102 N -3.44 4.11 0.00 1.29 0.02 -1.26 -2.10 135.00 133.62 1nsq s PRO 102 Ca 0.55 2.57 0.00 0.00 0.02 0.00 0.00 61.00 64.14 1nsq s PRO 102 Cb -0.10 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1nsq s PRO 102 CO 0.23 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 1nsq n GLY 103 N 0.71 1.92 3.94 0.52 0.00 -1.26 -4.97 105.19 106.05 1nsq n GLY 103 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1nsq n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nsq s THR 104 N -2.04 3.14 0.03 2.61 -4.23 -0.89 -4.93 115.64 109.32 1nsq s THR 104 Ca 0.00 -0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 59.90 1nsq s THR 104 Cb 0.00 -3.23 -0.18 0.00 1.34 0.00 0.00 72.50 70.43 1nsq s THR 104 CO 0.00 -0.20 1.46 0.40 -0.54 0.00 0.00 174.62 175.74 1nsq h ILE 105 N -0.07 1.20 -0.49 2.99 2.04 -1.02 -1.60 117.51 120.55 1nsq h ILE 105 Ca -0.44 -0.65 -0.13 0.00 1.00 0.00 0.00 64.86 64.64 1nsq h ILE 105 Cb 1.28 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1nsq h ILE 105 CO 0.57 0.17 -0.18 0.03 0.00 0.00 0.00 178.15 178.74 1nsq h ARG 106 N -0.30 0.99 -0.59 2.37 3.08 -1.49 -1.05 114.38 117.38 1nsq h ARG 106 Ca -0.00 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.63 1nsq h ARG 106 Cb 0.29 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1nsq h ARG 106 CO 0.00 1.09 0.32 0.78 -1.07 0.00 0.00 179.97 181.09 1nsq h GLY 107 N 0.85 0.87 1.34 0.04 0.00 -1.69 -2.16 103.07 102.32 1nsq h GLY 107 Ca 0.12 -0.38 -0.29 0.00 0.00 0.00 0.00 47.33 46.78 1nsq h GLY 107 CO 0.06 0.37 -1.46 -0.55 0.00 0.00 0.00 176.54 174.96 1nsq h ASP 108 N 0.82 0.28 -0.01 0.19 3.32 -1.15 -3.43 116.42 116.45 1nsq h ASP 108 Ca 0.21 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1nsq h ASP 108 Cb 0.03 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1nsq h ASP 108 CO -0.03 1.32 -0.22 0.49 -1.72 0.00 0.00 179.24 179.07 1nsq n PHE 109 N -3.39 0.00 -4.07 4.55 3.72 -0.41 -5.07 117.46 112.79 1nsq n PHE 109 Ca -0.14 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.16 1nsq n PHE 109 Cb 1.03 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.50 1nsq n PHE 109 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nsq n ILE 111 N -0.39 0.15 -4.51 0.00 5.41 -1.26 -4.74 119.36 114.03 1nsq n ILE 111 Ca -0.00 -0.05 -0.30 0.00 1.00 0.00 0.00 62.75 63.40 1nsq n ILE 111 Cb 0.63 -1.21 -0.12 0.00 -0.71 0.00 0.00 39.64 38.23 1nsq n ILE 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nsq s GLN 112 N -2.05 2.04 0.29 0.38 0.74 -1.26 -3.91 119.66 115.88 1nsq s GLN 112 Ca -0.04 -1.02 0.03 0.00 0.05 0.00 0.00 55.36 54.39 1nsq s GLN 112 Cb 0.01 -2.20 0.69 0.00 1.10 0.00 0.00 33.01 32.61 1nsq s GLN 112 CO 0.05 0.53 1.73 -0.39 -0.55 0.00 0.00 175.29 176.66 1nsq h VAL 113 N 3.76 0.60 0.00 1.34 -1.51 -1.94 -0.02 116.25 118.48 1nsq h VAL 113 Ca -0.48 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 1nsq h VAL 113 Cb 1.16 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 1nsq h VAL 113 CO 0.48 0.10 0.00 0.61 -1.23 0.00 0.00 177.57 177.53 1nsq n GLY 114 N -1.33 -0.86 2.23 5.19 0.00 -1.26 -3.41 105.19 105.76 1nsq n GLY 114 Ca 0.21 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1nsq n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nsq n ARG 115 N -1.24 1.07 -1.05 1.61 5.12 -0.03 -4.95 116.66 117.19 1nsq n ARG 115 Ca 0.10 -3.44 -0.16 0.00 -1.93 0.00 0.00 57.85 52.42 1nsq n ARG 115 Cb 0.14 -1.72 0.20 0.00 -1.16 0.00 0.00 32.46 29.92 1nsq n ARG 115 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nsq n ASN 116 N 0.25 3.96 0.00 0.55 6.94 -1.16 -4.38 115.26 121.42 1nsq n ASN 116 Ca 0.25 -3.33 0.00 0.00 -0.02 0.00 0.00 54.58 51.48 1nsq n ASN 116 Cb 0.65 -0.78 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 1nsq n ASN 116 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nsq n ILE 117 N -0.70 0.00 -2.53 1.53 -5.35 -1.26 -4.91 119.36 106.15 1nsq n ILE 117 Ca 0.48 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.96 1nsq n ILE 117 Cb 1.47 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1nsq n ILE 117 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nsq n ILE 118 N -0.10 0.00 0.00 7.28 3.06 -1.26 -1.20 119.36 127.14 1nsq n ILE 118 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1nsq n ILE 118 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 1nsq n ILE 118 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1nsq n GLY 120 N 0.00 2.51 3.77 4.50 0.00 -1.26 -4.92 105.19 109.79 1nsq n GLY 120 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1nsq n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nsq s SER 121 N 0.00 6.14 0.13 1.61 0.01 -0.80 -4.94 113.70 115.85 1nsq s SER 121 Ca 0.00 2.99 0.24 0.00 1.31 0.00 0.00 55.95 60.48 1nsq s SER 121 Cb 0.00 -2.66 0.23 0.00 0.21 0.00 0.00 66.02 63.80 1nsq s SER 121 CO 0.00 -1.00 1.22 -2.24 0.41 0.00 0.00 173.24 171.63 1nsq h ASP 122 N 2.71 0.00 -5.08 2.44 3.04 -1.93 -3.45 116.42 114.15 1nsq h ASP 122 Ca -0.51 -0.19 -0.02 0.00 -3.24 0.00 0.00 57.03 53.07 1nsq h ASP 122 Cb 1.25 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.44 1nsq h ASP 122 CO 0.63 0.10 0.04 0.00 -2.04 0.00 0.00 179.24 177.97 1nsq s ALA 123 N -3.21 -0.98 0.20 4.15 0.00 -1.26 -4.90 121.76 115.76 1nsq s ALA 123 Ca 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1nsq s ALA 123 Cb 0.13 0.85 0.18 0.00 0.00 0.00 0.00 23.12 24.28 1nsq s ALA 123 CO 0.75 -0.81 1.84 0.28 0.00 0.00 0.00 175.76 177.82 1nsq h VAL 124 N 2.18 1.08 -0.43 0.00 2.07 -1.93 0.22 116.25 119.44 1nsq h VAL 124 Ca -0.29 -0.28 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1nsq h VAL 124 Cb 1.26 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1nsq h VAL 124 CO 0.37 0.15 -0.01 -0.33 0.02 0.00 0.00 177.57 177.77 1nsq h GLU 125 N 0.81 0.70 0.01 1.57 3.07 -1.97 -0.22 114.58 118.55 1nsq h GLU 125 Ca 0.27 -0.18 -0.22 0.00 -0.50 0.00 0.00 59.36 58.73 1nsq h GLU 125 Cb 0.03 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1nsq h GLU 125 CO -0.11 0.72 -1.09 0.66 -1.40 0.00 0.00 179.01 177.79 1nsq h SER 126 N 0.66 0.04 -0.68 1.42 4.64 -1.85 -3.08 113.55 114.71 1nsq h SER 126 Ca 0.13 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1nsq h SER 126 Cb 0.42 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1nsq h SER 126 CO 0.02 1.04 0.30 0.00 -0.87 0.00 0.00 176.83 177.32 1nsq h ALA 127 N 0.95 0.87 -0.57 5.18 0.00 0.03 -0.59 119.26 125.14 1nsq h ALA 127 Ca -0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nsq h ALA 127 Cb 1.81 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 1nsq h ALA 127 CO 0.13 0.46 0.34 0.93 0.00 0.00 0.00 179.25 181.11 1nsq h GLU 128 N 0.95 0.78 -0.32 0.00 5.08 -1.11 0.11 114.58 120.07 1nsq h GLU 128 Ca 0.23 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1nsq h GLU 128 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nsq h GLU 128 CO -0.02 0.57 -0.07 0.87 -1.00 0.00 0.00 179.01 179.36 1nsq h LYS 129 N 0.77 0.61 -0.43 2.33 1.57 -1.40 -2.30 116.57 117.72 1nsq h LYS 129 Ca 0.20 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1nsq h LYS 129 Cb -0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1nsq h LYS 129 CO -0.04 0.78 0.08 0.93 -0.57 0.00 0.00 179.45 180.64 1nsq h GLU 130 N 0.39 0.70 -0.31 3.15 5.08 -0.84 0.59 114.58 123.34 1nsq h GLU 130 Ca 0.08 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1nsq h GLU 130 Cb 0.55 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1nsq h GLU 130 CO 0.03 0.72 0.18 0.82 -1.00 0.00 0.00 179.01 179.76 1nsq h ILE 131 N 0.56 1.04 0.00 3.13 2.04 -0.77 -0.81 117.51 122.69 1nsq h ILE 131 Ca 0.13 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1nsq h ILE 131 Cb 0.35 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1nsq h ILE 131 CO 0.01 0.07 -0.24 0.00 0.00 0.00 0.00 178.15 177.98 1nsq h ALA 132 N 1.13 1.35 0.01 1.87 0.00 -1.21 0.11 119.26 122.52 1nsq h ALA 132 Ca 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nsq h ALA 132 Cb -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nsq h ALA 132 CO -0.05 0.30 -0.00 1.25 0.00 0.00 0.00 179.25 180.74 1nsq h LEU 133 N 0.00 -0.01 0.00 0.00 6.46 0.22 -3.36 115.31 118.62 1nsq h LEU 133 Ca -0.00 -0.60 -0.19 0.00 -0.12 0.00 0.00 57.88 56.96 1nsq h LEU 133 Cb 0.51 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1nsq h LEU 133 CO 0.03 0.60 -0.94 -0.50 -0.62 0.00 0.00 178.44 177.01 1nsq h TRP 134 N -0.62 0.00 -3.61 1.25 4.06 -1.04 -3.47 115.95 112.52 1nsq h TRP 134 Ca -0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 1nsq h TRP 134 Cb 0.61 0.00 -0.20 0.00 -1.00 0.00 0.00 29.16 28.57 1nsq h TRP 134 CO 0.14 0.91 -0.81 -0.06 -3.56 0.00 0.00 178.44 175.05 1nsq s PHE 135 N -2.75 1.91 0.26 0.49 0.08 0.37 -5.10 117.98 113.25 1nsq s PHE 135 Ca 0.01 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.59 1nsq s PHE 135 Cb 0.09 -1.00 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 1nsq s PHE 135 CO 0.81 0.30 0.53 -0.80 -0.10 0.00 0.00 175.22 175.95 1nsq s ASN 136 N -2.29 6.46 0.59 1.36 0.02 -1.26 -4.49 114.94 115.34 1nsq s ASN 136 Ca 0.12 0.70 0.31 0.00 -1.02 0.00 0.00 52.86 52.97 1nsq s ASN 136 Cb -0.08 -2.14 1.86 0.00 0.02 0.00 0.00 41.25 40.91 1nsq s ASN 136 CO 0.06 -0.15 2.26 -0.33 0.02 0.00 0.00 177.10 178.96 1nsq h GLU 137 N 1.88 0.00 0.00 -0.60 3.07 -1.95 -0.66 114.58 116.32 1nsq h GLU 137 Ca -0.47 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.33 1nsq h GLU 137 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1nsq h GLU 137 CO 0.67 0.01 -0.26 0.87 -1.40 0.00 0.00 179.01 178.89 1nsq h LYS 138 N 0.00 0.00 -0.01 2.33 1.57 -2.05 -3.06 116.57 115.36 1nsq h LYS 138 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nsq h LYS 138 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1nsq h LYS 138 CO 0.00 0.26 -0.13 0.39 -0.57 0.00 0.00 179.45 179.40 1nsq n GLU 139 N -3.91 0.98 -3.27 3.15 1.02 -0.25 -4.76 120.64 113.59 1nsq n GLU 139 Ca -0.02 -0.47 -0.42 0.00 -0.02 0.00 0.00 57.16 56.24 1nsq n GLU 139 Cb 0.34 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.19 1nsq n GLU 139 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nsq s LEU 140 N -2.35 4.44 -0.06 -4.62 1.43 -1.16 -4.55 118.68 111.82 1nsq s LEU 140 Ca 0.31 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1nsq s LEU 140 Cb 0.20 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1nsq s LEU 140 CO 0.45 -0.49 0.55 -0.69 0.23 0.00 0.00 176.35 176.40 1nsq s VAL 141 N 2.33 5.05 -0.20 -1.59 1.01 0.21 -5.04 120.40 122.16 1nsq s VAL 141 Ca 0.17 1.12 -0.05 0.00 0.00 0.00 0.00 61.98 63.22 1nsq s VAL 141 Cb -0.16 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 1nsq s VAL 141 CO 0.13 0.37 -0.01 0.42 0.00 0.00 0.00 175.10 176.02 1nsq s THR 142 N 0.18 3.82 0.24 3.92 -4.23 -1.26 -4.73 115.64 113.58 1nsq s THR 142 Ca 0.29 -0.36 -0.18 0.00 -1.18 0.00 0.00 61.69 60.27 1nsq s THR 142 Cb -0.17 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1nsq s THR 142 CO 0.14 0.43 0.58 -1.66 -0.54 0.00 0.00 174.62 173.57 1nsq s TRP 143 N 1.10 -0.01 -0.14 3.99 1.48 -1.26 -5.16 118.94 118.94 1nsq s TRP 143 Ca 0.02 -0.38 0.02 0.00 -1.06 0.00 0.00 56.10 54.70 1nsq s TRP 143 Cb -0.14 0.45 0.01 0.00 -1.16 0.00 0.00 33.47 32.63 1nsq s TRP 143 CO 0.01 -1.06 -0.21 0.99 -4.06 0.00 0.00 176.95 172.62 1nsq s THR 144 N -3.93 1.99 0.28 0.66 2.01 -1.26 -5.10 115.64 110.29 1nsq s THR 144 Ca 0.14 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 1nsq s THR 144 Cb -0.03 -1.77 -0.10 0.00 0.01 0.00 0.00 72.50 70.62 1nsq s THR 144 CO 0.04 0.54 1.20 -2.84 -0.69 0.00 0.00 174.62 172.87 1nsq s PRO 145 N 0.87 4.50 0.57 4.92 0.02 -1.26 -4.92 135.00 139.70 1nsq s PRO 145 Ca -0.06 1.98 0.28 0.00 0.02 0.00 0.00 61.00 63.22 1nsq s PRO 145 Cb -0.15 -3.15 1.69 0.00 0.02 0.00 0.00 34.50 32.90 1nsq s PRO 145 CO -0.03 -0.01 2.20 0.00 -0.33 0.00 0.00 177.00 178.84 1nsq h ALA 146 N 3.97 1.50 -0.66 -1.55 0.00 -2.05 -2.43 119.26 118.03 1nsq h ALA 146 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1nsq h ALA 146 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nsq h ALA 146 CO 0.68 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.97 1nsq n ALA 147 N -2.33 2.52 -0.31 0.00 0.00 -1.26 -4.61 120.51 114.52 1nsq n ALA 147 Ca -0.03 -1.24 0.15 0.00 0.00 0.00 0.00 53.44 52.32 1nsq n ALA 147 Cb 0.12 -0.96 0.32 0.00 0.00 0.00 0.00 19.45 18.93 1nsq n ALA 147 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1nsq h LYS 148 N 3.92 0.21 0.00 0.00 3.64 -1.83 0.35 116.57 122.87 1nsq h LYS 148 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nsq h LYS 148 Cb 0.99 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1nsq h LYS 148 CO 0.04 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 177.11 1nsq n ASP 149 N -5.21 0.37 -0.21 4.20 8.00 -1.26 -0.83 116.55 121.61 1nsq n ASP 149 Ca 0.23 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.42 1nsq n ASP 149 Cb 0.74 -0.65 0.13 0.00 -0.02 0.00 0.00 41.12 41.31 1nsq n ASP 149 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nsq n TRP 150 N -1.88 0.00 -0.08 1.24 7.02 0.12 -4.30 117.44 119.55 1nsq n TRP 150 Ca 0.04 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.41 1nsq n TRP 150 Cb 0.26 -0.09 -0.08 0.00 -2.42 0.00 0.00 31.31 28.98 1nsq n TRP 150 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1nsq n ILE 151 N -0.84 1.00 -4.40 -0.99 5.41 -0.81 -5.01 119.36 113.71 1nsq n ILE 151 Ca 0.08 -0.41 -0.21 0.00 1.00 0.00 0.00 62.75 63.21 1nsq n ILE 151 Cb 0.38 -1.06 -0.13 0.00 -0.71 0.00 0.00 39.64 38.12 1nsq n ILE 151 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1nsq s TYR 152 N -2.35 1.36 -2.95 1.39 2.02 -0.01 -5.11 117.35 111.70 1nsq s TYR 152 Ca -0.21 -0.36 0.24 0.00 -0.37 0.00 0.00 57.07 56.37 1nsq s TYR 152 Cb 0.06 -0.80 0.28 0.00 -0.40 0.00 0.00 41.96 41.09 1nsq s TYR 152 CO 0.43 0.05 1.31 -0.85 -1.57 0.00 0.00 175.55 174.92