#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsk n ALA 2 N nan 0.00 -3.62 0.00 0.00 -1.26 -5.71 120.51 nan 1nsk n ALA 2 Ca nan 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 nan 1nsk n ALA 2 Cb nan 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 nan 1nsk n ALA 2 CO nan 0.00 0.00 1.21 0.00 0.00 0.00 177.50 nan 1nsk s ASN 3 N -2.74 -0.07 0.00 0.00 2.47 -1.26 -5.17 114.94 108.18 1nsk s ASN 3 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.28 1nsk s ASN 3 Cb 0.00 0.07 0.00 0.00 -1.45 0.00 0.00 41.25 39.87 1nsk s ASN 3 CO 0.00 -0.11 0.00 0.18 -3.72 0.00 0.00 177.10 173.45 1nsk n LEU 4 N -0.02 0.00 0.00 3.21 4.77 -1.26 -4.35 117.00 119.34 1nsk n LEU 4 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1nsk n LEU 4 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1nsk n LEU 4 CO 0.08 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.52 1nsk n GLU 5 N 0.00 0.00 0.00 3.23 1.02 -0.50 -3.55 120.64 120.85 1nsk n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nsk n GLU 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1nsk n GLU 5 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nsk n ARG 6 N 0.00 0.00 -3.96 3.49 0.63 -1.26 -3.64 116.66 111.93 1nsk n ARG 6 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1nsk n ARG 6 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1nsk n ARG 6 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1nsk s THR 7 N -1.41 0.13 -0.27 5.15 -1.32 0.12 -4.59 115.64 113.46 1nsk s THR 7 Ca 0.00 -1.42 -0.10 0.00 -1.21 0.00 0.00 61.69 58.96 1nsk s THR 7 Cb 0.00 -1.58 -0.04 0.00 -1.51 0.00 0.00 72.50 69.37 1nsk s THR 7 CO 0.00 -0.60 0.14 0.12 -2.21 0.00 0.00 174.62 172.07 1nsk s PHE 8 N -3.92 3.17 -0.13 9.09 5.36 -1.26 -1.42 117.98 128.88 1nsk s PHE 8 Ca 0.11 -0.08 0.02 0.00 -0.96 0.00 0.00 56.93 56.01 1nsk s PHE 8 Cb 0.05 -2.32 -0.00 0.00 -0.34 0.00 0.00 43.02 40.41 1nsk s PHE 8 CO -0.07 -0.22 -0.19 0.42 -1.46 0.00 0.00 175.22 173.70 1nsk s ILE 9 N 1.65 2.48 -0.07 3.12 -1.09 0.11 -2.39 121.20 125.01 1nsk s ILE 9 Ca 0.07 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 1nsk s ILE 9 Cb -0.16 -2.01 0.02 0.00 -1.58 0.00 0.00 42.46 38.73 1nsk s ILE 9 CO 0.08 0.54 -0.11 0.00 -1.23 0.00 0.00 174.94 174.21 1nsk s ALA 10 N 0.51 1.27 -0.48 9.38 0.00 0.45 -0.16 121.76 132.73 1nsk s ALA 10 Ca -0.12 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 1nsk s ALA 10 Cb -0.17 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.38 1nsk s ALA 10 CO 0.05 0.02 0.60 0.42 0.00 0.00 0.00 175.76 176.85 1nsk s ILE 11 N 0.84 4.90 0.96 0.00 1.01 0.30 0.20 121.20 129.42 1nsk s ILE 11 Ca -0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 1nsk s ILE 11 Cb -0.15 -4.24 0.17 0.00 0.01 0.00 0.00 42.46 38.25 1nsk s ILE 11 CO 0.02 -0.71 1.09 0.29 0.00 0.00 0.00 174.94 175.63 1nsk n LYS 12 N 6.09 -0.78 -0.30 2.79 5.02 -0.70 -1.96 118.16 128.31 1nsk n LYS 12 Ca -0.06 -0.17 0.14 0.00 -2.02 0.00 0.00 58.31 56.20 1nsk n LYS 12 Cb 0.46 -2.32 0.30 0.00 -0.02 0.00 0.00 35.03 33.45 1nsk n LYS 12 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1nsk h PRO 13 N -2.02 0.17 -0.37 1.97 0.11 -1.82 0.61 132.00 130.65 1nsk h PRO 13 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1nsk h PRO 13 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1nsk h PRO 13 CO 0.42 0.11 -0.10 0.38 -0.21 0.00 0.00 178.00 178.60 1nsk h ASP 14 N 0.17 0.62 -0.46 -2.05 2.03 -1.89 0.71 116.42 115.55 1nsk h ASP 14 Ca 0.57 -0.17 -0.05 0.00 -0.73 0.00 0.00 57.03 56.65 1nsk h ASP 14 Cb 1.16 -0.17 -0.02 0.00 -0.83 0.00 0.00 39.33 39.48 1nsk h ASP 14 CO -0.69 0.76 0.10 1.23 -1.03 0.00 0.00 179.24 179.61 1nsk h GLY 15 N 0.96 0.81 0.72 7.15 0.00 -1.05 -0.28 103.07 111.38 1nsk h GLY 15 Ca 0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1nsk h GLY 15 CO 0.03 0.48 0.00 -2.08 0.00 0.00 0.00 176.54 174.97 1nsk h VAL 16 N 0.63 1.25 -0.72 4.60 2.07 -1.13 -1.40 116.25 121.54 1nsk h VAL 16 Ca 0.14 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1nsk h VAL 16 Cb 0.34 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 1nsk h VAL 16 CO 0.00 0.21 0.47 1.56 0.02 0.00 0.00 177.57 179.84 1nsk h GLN 17 N -0.20 0.82 -0.30 1.57 1.08 -0.74 -1.60 115.11 115.73 1nsk h GLN 17 Ca 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1nsk h GLN 17 Cb 0.33 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1nsk h GLN 17 CO 0.00 0.54 0.00 0.54 -0.95 0.00 0.00 178.83 178.96 1nsk n ARG 18 N -4.46 1.73 -3.12 1.46 1.74 -0.13 -4.95 116.66 108.94 1nsk n ARG 18 Ca 0.09 -1.13 -0.14 0.00 -0.77 0.00 0.00 57.85 55.90 1nsk n ARG 18 Cb 0.15 -1.27 0.07 0.00 -1.02 0.00 0.00 32.46 30.38 1nsk n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nsk n GLY 19 N 1.03 -0.62 0.10 -0.13 0.00 -0.60 -4.96 105.19 100.00 1nsk n GLY 19 Ca 0.12 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.48 1nsk n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nsk n LEU 20 N -3.32 2.32 0.15 0.99 4.77 -0.54 -4.75 117.00 116.60 1nsk n LEU 20 Ca -0.14 -2.66 -0.14 0.00 -0.03 0.00 0.00 56.01 53.04 1nsk n LEU 20 Cb 0.62 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 1nsk n LEU 20 CO 0.52 0.63 0.64 0.58 -1.33 0.00 0.00 177.39 178.44 1nsk h VAL 21 N 0.15 0.79 -0.61 4.08 2.07 -1.88 -2.20 116.25 118.65 1nsk h VAL 21 Ca 0.00 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1nsk h VAL 21 Cb 0.83 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1nsk h VAL 21 CO 0.01 0.09 0.38 1.23 0.02 0.00 0.00 177.57 179.30 1nsk h GLY 22 N -0.58 0.88 0.99 2.17 0.00 -1.97 -1.31 103.07 103.25 1nsk h GLY 22 Ca -0.04 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1nsk h GLY 22 CO 0.06 0.24 0.28 0.83 0.00 0.00 0.00 176.54 177.95 1nsk h GLU 23 N 0.75 0.60 -0.21 4.80 4.39 -1.87 0.15 114.58 123.18 1nsk h GLU 23 Ca 0.25 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 1nsk h GLU 23 Cb 0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1nsk h GLU 23 CO -0.10 0.43 -0.07 0.82 -1.16 0.00 0.00 179.01 178.93 1nsk h ILE 24 N 0.60 1.29 -0.06 3.13 2.04 -1.16 -2.15 117.51 121.20 1nsk h ILE 24 Ca 0.16 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1nsk h ILE 24 Cb -0.03 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1nsk h ILE 24 CO -0.03 0.33 0.03 0.40 0.00 0.00 0.00 178.15 178.89 1nsk h ILE 25 N 0.15 1.08 -0.66 -0.67 2.04 -1.17 -2.92 117.51 115.35 1nsk h ILE 25 Ca 0.05 -0.22 0.14 0.00 1.00 0.00 0.00 64.86 65.83 1nsk h ILE 25 Cb 0.54 1.11 -0.11 0.00 -0.74 0.00 0.00 36.82 37.62 1nsk h ILE 25 CO 0.03 0.07 0.03 0.50 0.00 0.00 0.00 178.15 178.77 1nsk h LYS 26 N 0.01 0.14 -0.97 2.37 3.64 -0.95 -0.08 116.57 120.73 1nsk h LYS 26 Ca 0.02 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1nsk h LYS 26 Cb 0.08 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.80 1nsk h LYS 26 CO -0.00 0.09 0.63 0.00 -2.27 0.00 0.00 179.45 177.90 1nsk h ARG 27 N 0.14 1.13 -0.17 1.90 3.08 -1.20 -0.17 114.38 119.08 1nsk h ARG 27 Ca 0.35 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 60.18 1nsk h ARG 27 Cb 0.59 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1nsk h ARG 27 CO -0.55 0.75 -0.55 0.74 -1.07 0.00 0.00 179.97 179.29 1nsk h PHE 28 N 1.16 0.66 0.37 3.04 -1.00 -0.94 -3.01 116.94 117.22 1nsk h PHE 28 Ca 0.41 -0.23 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1nsk h PHE 28 Cb 0.12 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1nsk h PHE 28 CO -0.01 0.95 -0.18 0.93 -1.61 0.00 0.00 178.31 178.40 1nsk h GLU 29 N 0.40 -0.48 0.00 1.51 5.08 -0.07 -2.87 114.58 118.16 1nsk h GLU 29 Ca 0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1nsk h GLU 29 Cb 1.09 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1nsk h GLU 29 CO 0.10 -0.25 0.00 -0.56 -1.00 0.00 0.00 179.01 177.30 1nsk h GLN 30 N -0.61 0.00 0.00 2.33 3.07 -1.10 -1.13 115.11 117.68 1nsk h GLN 30 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.54 1nsk h GLN 30 Cb 0.45 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.99 1nsk h GLN 30 CO 0.08 0.00 -0.70 -0.22 0.09 0.00 0.00 178.83 178.09 1nsk h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.37 -3.48 116.57 113.42 1nsk h LYS 31 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1nsk h LYS 31 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1nsk h LYS 31 CO 0.00 0.70 0.00 0.41 -3.45 0.00 0.00 179.45 177.11 1nsk n GLY 32 N 1.20 1.10 3.82 5.01 0.00 -0.43 -5.10 105.19 110.79 1nsk n GLY 32 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1nsk n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nsk s PHE 33 N -2.00 3.50 -0.14 1.61 0.08 -1.11 -4.96 117.98 114.97 1nsk s PHE 33 Ca 0.00 1.41 -0.03 0.00 0.12 0.00 0.00 56.93 58.44 1nsk s PHE 33 Cb 0.00 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.76 1nsk s PHE 33 CO 0.00 0.16 -0.05 -0.98 -0.10 0.00 0.00 175.22 174.25 1nsk s ARG 34 N -2.53 3.50 -0.40 0.44 1.70 -0.59 -4.47 118.95 116.59 1nsk s ARG 34 Ca 0.51 -0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 54.94 1nsk s ARG 34 Cb -0.13 -2.83 -0.02 0.00 -0.57 0.00 0.00 34.95 31.40 1nsk s ARG 34 CO 0.19 0.30 1.77 -1.17 -1.08 0.00 0.00 175.30 175.31 1nsk s LEU 35 N 0.18 3.47 -0.04 -1.89 0.20 -1.26 -0.94 118.68 118.41 1nsk s LEU 35 Ca -0.03 1.05 -0.12 0.00 0.69 0.00 0.00 54.13 55.71 1nsk s LEU 35 Cb -0.14 -3.31 -0.32 0.00 -0.43 0.00 0.00 46.19 42.00 1nsk s LEU 35 CO 0.03 -1.82 0.73 0.58 -0.29 0.00 0.00 176.35 175.58 1nsk h VAL 36 N 6.79 1.01 -2.81 1.68 2.07 -1.16 -3.47 116.25 120.36 1nsk h VAL 36 Ca -0.31 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 64.60 1nsk h VAL 36 Cb 1.16 2.82 -0.16 0.00 -1.52 0.00 0.00 31.29 33.59 1nsk h VAL 36 CO 1.08 0.84 0.01 0.00 0.02 0.00 0.00 177.57 179.52 1nsk s ALA 37 N -2.57 -1.27 -0.28 1.67 0.00 -1.20 -0.23 121.76 117.88 1nsk s ALA 37 Ca -0.15 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1nsk s ALA 37 Cb 0.05 0.37 0.09 0.00 0.00 0.00 0.00 23.12 23.63 1nsk s ALA 37 CO 0.87 -0.49 0.74 1.41 0.00 0.00 0.00 175.76 178.28 1nsk s MET 38 N -2.44 0.69 0.01 0.00 0.00 -1.26 -0.79 119.30 115.52 1nsk s MET 38 Ca -0.05 1.10 -0.08 0.00 0.00 0.00 0.00 55.69 56.66 1nsk s MET 38 Cb -0.01 0.19 0.00 0.00 0.00 0.00 0.00 34.83 35.01 1nsk s MET 38 CO -0.02 -0.13 0.15 -1.59 0.00 0.00 0.00 175.02 173.43 1nsk s LYS 39 N 1.31 0.54 -0.19 4.11 -2.85 0.11 -5.00 119.74 117.77 1nsk s LYS 39 Ca -0.07 -0.48 -0.03 0.00 -1.00 0.00 0.00 55.97 54.38 1nsk s LYS 39 Cb -0.05 0.22 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 1nsk s LYS 39 CO -0.15 -0.14 -0.04 0.12 0.10 0.00 0.00 175.35 175.24 1nsk s PHE 40 N -1.76 2.97 0.06 1.78 5.36 -1.26 -0.98 117.98 124.15 1nsk s PHE 40 Ca -0.12 -0.62 -0.26 0.00 -0.96 0.00 0.00 56.93 54.97 1nsk s PHE 40 Cb -0.06 -2.02 0.09 0.00 -0.34 0.00 0.00 43.02 40.69 1nsk s PHE 40 CO -0.00 -0.30 0.75 -0.48 -1.46 0.00 0.00 175.22 173.73 1nsk s LEU 41 N 0.92 -0.47 -0.55 6.12 2.34 -0.74 -4.98 118.68 121.31 1nsk s LEU 41 Ca -0.00 0.05 -0.16 0.00 0.06 0.00 0.00 54.13 54.08 1nsk s LEU 41 Cb -0.15 2.30 0.13 0.00 -0.56 0.00 0.00 46.19 47.92 1nsk s LEU 41 CO 0.01 -0.77 0.52 -0.60 -1.06 0.00 0.00 176.35 174.45 1nsk s ARG 42 N -3.23 3.01 0.07 1.48 3.52 -1.26 -0.13 118.95 122.40 1nsk s ARG 42 Ca 0.02 -1.71 -0.31 0.00 -0.13 0.00 0.00 55.73 53.61 1nsk s ARG 42 Cb -0.01 -4.30 -0.10 0.00 -1.56 0.00 0.00 34.95 28.98 1nsk s ARG 42 CO -0.09 -1.34 1.92 0.00 -0.81 0.00 0.00 175.30 174.97 1nsk n ALA 43 N 5.28 1.79 -1.69 6.12 0.00 -1.26 -4.95 120.51 125.81 1nsk n ALA 43 Ca -0.13 0.25 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 1nsk n ALA 43 Cb 0.40 -2.64 0.04 0.00 0.00 0.00 0.00 19.45 17.25 1nsk n ALA 43 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nsk s SER 44 N 3.79 5.06 0.34 0.00 1.04 -1.26 -4.29 113.70 118.38 1nsk s SER 44 Ca 0.86 2.36 0.07 0.00 0.48 0.00 0.00 55.95 59.72 1nsk s SER 44 Cb -0.46 -2.59 0.75 0.00 0.10 0.00 0.00 66.02 63.81 1nsk s SER 44 CO 0.41 -1.68 1.87 -0.33 0.98 0.00 0.00 173.24 174.49 1nsk h GLU 45 N 0.69 0.75 -0.01 4.02 5.08 -1.92 0.12 114.58 123.31 1nsk h GLU 45 Ca -0.50 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1nsk h GLU 45 Cb 1.29 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1nsk h GLU 45 CO 0.54 0.50 0.00 1.49 -1.00 0.00 0.00 179.01 180.54 1nsk h GLU 46 N 0.77 0.01 -0.75 2.33 4.81 -1.97 0.98 114.58 120.76 1nsk h GLU 46 Ca 0.45 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1nsk h GLU 46 Cb 0.63 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 1nsk h GLU 46 CO -0.21 0.10 0.42 1.25 -0.73 0.00 0.00 179.01 179.85 1nsk h HIS 47 N -0.08 1.02 -0.57 0.92 2.76 -1.60 -2.80 115.15 114.80 1nsk h HIS 47 Ca 0.00 -0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.07 1nsk h HIS 47 Cb 0.10 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 1nsk h HIS 47 CO -0.04 0.71 0.04 -0.07 -1.30 0.00 0.00 177.93 177.27 1nsk h LEU 48 N 1.04 0.92 -1.13 0.26 3.38 -0.44 -1.39 115.31 117.94 1nsk h LEU 48 Ca 0.27 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nsk h LEU 48 Cb 0.02 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1nsk h LEU 48 CO -0.04 0.96 0.24 0.11 0.09 0.00 0.00 178.44 179.79 1nsk h LYS 49 N 0.89 0.85 -0.45 1.13 1.57 -0.63 0.11 116.57 120.04 1nsk h LYS 49 Ca 0.17 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1nsk h LYS 49 Cb 0.47 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1nsk h LYS 49 CO 0.02 0.69 0.03 1.96 -0.57 0.00 0.00 179.45 181.58 1nsk h GLN 50 N 0.84 0.77 -0.42 3.15 4.20 -1.18 -0.72 115.11 121.76 1nsk h GLN 50 Ca 0.20 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1nsk h GLN 50 Cb 0.16 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1nsk h GLN 50 CO -0.02 0.82 0.10 1.25 -0.67 0.00 0.00 178.83 180.31 1nsk h HIS 51 N 0.63 0.63 -0.68 2.96 2.76 -0.28 -2.95 115.15 118.22 1nsk h HIS 51 Ca 0.13 -0.04 -0.33 0.00 -2.20 0.00 0.00 60.37 57.93 1nsk h HIS 51 Cb 0.45 -0.19 -0.20 0.00 1.55 0.00 0.00 27.41 29.02 1nsk h HIS 51 CO 0.03 0.55 0.29 0.66 -1.30 0.00 0.00 177.93 178.16 1nsk n TYR 52 N -4.32 2.12 -0.31 5.26 4.01 0.30 -4.72 117.16 119.50 1nsk n TYR 52 Ca 0.03 -1.65 0.07 0.00 -0.16 0.00 0.00 57.90 56.19 1nsk n TYR 52 Cb 0.20 -0.71 0.23 0.00 -0.31 0.00 0.00 39.34 38.75 1nsk n TYR 52 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1nsk h ILE 53 N 1.19 0.76 0.00 -0.72 2.04 -0.96 0.69 117.51 120.51 1nsk h ILE 53 Ca 0.41 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 66.03 1nsk h ILE 53 Cb 2.27 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1nsk h ILE 53 CO 0.74 0.13 0.00 0.47 0.00 0.00 0.00 178.15 179.49 1nsk n ASP 54 N -4.82 0.00 -0.12 1.72 9.92 -1.26 -1.57 116.55 120.41 1nsk n ASP 54 Ca 0.18 0.05 0.04 0.00 -0.53 0.00 0.00 54.79 54.53 1nsk n ASP 54 Cb 0.43 -0.22 0.05 0.00 -0.64 0.00 0.00 41.12 40.74 1nsk n ASP 54 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1nsk n LEU 55 N -1.22 1.47 0.07 0.64 4.77 0.20 -4.78 117.00 118.15 1nsk n LEU 55 Ca 0.05 -1.94 0.09 0.00 -0.03 0.00 0.00 56.01 54.18 1nsk n LEU 55 Cb 0.06 -0.16 0.39 0.00 -2.33 0.00 0.00 43.42 41.39 1nsk n LEU 55 CO 0.07 0.46 0.78 2.29 -1.33 0.00 0.00 177.39 179.66 1nsk n LYS 56 N -0.69 0.10 -0.63 3.23 2.85 -0.61 -2.05 118.16 120.36 1nsk n LYS 56 Ca 0.06 0.37 0.02 0.00 -1.05 0.00 0.00 58.31 57.71 1nsk n LYS 56 Cb 0.52 -1.70 0.20 0.00 -0.65 0.00 0.00 35.03 33.40 1nsk n LYS 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1nsk n ASP 57 N -1.90 2.37 -4.48 -5.58 8.00 -1.26 -4.97 116.55 108.74 1nsk n ASP 57 Ca 0.02 -3.66 -0.33 0.00 0.71 0.00 0.00 54.79 51.53 1nsk n ASP 57 Cb 0.18 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 40.58 1nsk n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nsk s ARG 58 N -3.16 2.65 0.19 -1.24 3.00 -0.87 -5.05 118.95 114.46 1nsk s ARG 58 Ca 0.41 -0.67 -0.16 0.00 0.00 0.00 0.00 55.73 55.32 1nsk s ARG 58 Cb 0.38 -2.45 0.18 0.00 0.00 0.00 0.00 34.95 33.05 1nsk s ARG 58 CO -0.01 0.58 1.28 -2.30 0.00 0.00 0.00 175.30 174.86 1nsk n PRO 59 N 2.43 -0.21 0.25 3.54 -0.02 -1.26 -1.50 135.00 138.23 1nsk n PRO 59 Ca -0.17 1.27 0.12 0.00 -2.02 0.00 0.00 63.50 62.70 1nsk n PRO 59 Cb 0.52 -1.89 0.62 0.00 -0.02 0.00 0.00 33.50 32.74 1nsk n PRO 59 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1nsk h PHE 60 N 0.00 0.00 -0.72 6.00 -5.15 -1.97 -3.37 116.94 111.73 1nsk h PHE 60 Ca 0.27 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 58.14 1nsk h PHE 60 Cb 0.48 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.55 1nsk h PHE 60 CO -0.74 0.15 -0.34 0.34 -2.00 0.00 0.00 178.31 175.73 1nsk n PHE 61 N -3.45 -0.11 -0.22 6.09 7.35 -0.56 -0.26 117.46 126.30 1nsk n PHE 61 Ca -0.01 0.89 0.03 0.00 -0.76 0.00 0.00 57.45 57.60 1nsk n PHE 61 Cb 0.32 -0.69 0.14 0.00 0.35 0.00 0.00 39.48 39.61 1nsk n PHE 61 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1nsk h PRO 62 N 0.00 0.24 -0.16 -7.13 0.11 -1.80 -1.01 132.00 122.24 1nsk h PRO 62 Ca 0.20 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 1nsk h PRO 62 Cb 0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1nsk h PRO 62 CO -0.70 0.16 -0.15 0.78 -0.21 0.00 0.00 178.00 177.88 1nsk h GLY 63 N 0.25 0.42 0.05 -0.55 0.00 -0.91 -2.58 103.07 99.74 1nsk h GLY 63 Ca 0.36 -0.43 0.18 0.00 0.00 0.00 0.00 47.33 47.45 1nsk h GLY 63 CO -0.47 0.39 0.47 -2.00 0.00 0.00 0.00 176.54 174.93 1nsk h LEU 64 N 0.04 0.53 -0.11 3.11 5.85 -0.27 0.61 115.31 125.06 1nsk h LEU 64 Ca 0.03 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1nsk h LEU 64 Cb 0.68 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1nsk h LEU 64 CO 0.04 0.15 -0.13 0.58 -0.34 0.00 0.00 178.44 178.74 1nsk h VAL 65 N 0.58 1.36 -0.78 1.05 2.07 -1.19 -1.48 116.25 117.87 1nsk h VAL 65 Ca 0.53 -1.32 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1nsk h VAL 65 Cb 0.87 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 1nsk h VAL 65 CO -0.43 0.38 0.51 0.50 0.02 0.00 0.00 177.57 178.55 1nsk h LYS 66 N -0.12 0.90 0.32 1.57 1.63 -0.72 -2.72 116.57 117.43 1nsk h LYS 66 Ca 0.02 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1nsk h LYS 66 Cb 0.67 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1nsk h LYS 66 CO 0.03 0.60 -0.16 -0.92 -3.45 0.00 0.00 179.45 175.55 1nsk h TYR 67 N 0.93 -0.40 0.00 1.91 5.03 0.29 -2.74 116.97 121.99 1nsk h TYR 67 Ca 0.31 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.61 1nsk h TYR 67 Cb 0.08 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.50 1nsk h TYR 67 CO -0.00 -0.25 0.03 -1.33 -1.32 0.00 0.00 178.16 175.29 1nsk n MET 68 N -3.18 0.00 -0.00 1.82 2.81 -0.57 -0.51 117.12 117.49 1nsk n MET 68 Ca -0.05 0.45 0.09 0.00 -1.81 0.00 0.00 57.70 56.37 1nsk n MET 68 Cb 0.17 -1.53 -0.11 0.00 -0.71 0.00 0.00 33.22 31.04 1nsk n MET 68 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1nsk n ASN 69 N -1.45 0.85 0.29 7.83 5.15 -1.03 -4.40 115.26 122.49 1nsk n ASN 69 Ca 0.00 -0.86 0.16 0.00 -0.60 0.00 0.00 54.58 53.27 1nsk n ASN 69 Cb 0.03 1.06 0.89 0.00 -0.53 0.00 0.00 39.78 41.23 1nsk n ASN 69 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1nsk h SER 70 N 0.00 0.00 -5.08 1.20 4.64 -0.48 -3.45 113.55 110.37 1nsk h SER 70 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1nsk h SER 70 Cb 0.46 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.48 1nsk h SER 70 CO 0.00 0.04 0.10 -0.83 -0.87 0.00 0.00 176.83 175.27 1nsk s GLY 71 N -4.15 0.06 0.65 -0.77 0.00 -1.26 -5.12 107.32 96.73 1nsk s GLY 71 Ca -0.04 -0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 1nsk s GLY 71 CO 0.54 -0.25 1.13 2.56 0.00 0.00 0.00 173.10 177.08 1nsk s PRO 72 N -3.93 2.77 0.35 2.90 0.04 -1.26 -4.59 135.00 131.27 1nsk s PRO 72 Ca 0.13 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.71 1nsk s PRO 72 Cb -0.04 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1nsk s PRO 72 CO 0.05 -1.29 0.03 0.14 0.04 0.00 0.00 177.00 175.98 1nsk s VAL 73 N -2.19 1.47 -0.29 -0.36 -7.23 0.82 -3.88 120.40 108.74 1nsk s VAL 73 Ca 0.69 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.88 1nsk s VAL 73 Cb -0.22 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 33.96 1nsk s VAL 73 CO 0.40 -0.03 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.42 1nsk s VAL 74 N -3.10 2.21 -0.07 1.32 1.01 -0.83 -1.79 120.40 119.16 1nsk s VAL 74 Ca 0.36 -1.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1nsk s VAL 74 Cb 0.09 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1nsk s VAL 74 CO 0.16 -0.24 0.41 0.00 0.00 0.00 0.00 175.10 175.43 1nsk s ALA 75 N 1.03 3.60 0.12 5.51 0.00 -0.15 -0.54 121.76 131.34 1nsk s ALA 75 Ca -0.02 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 1nsk s ALA 75 Cb -0.20 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 1nsk s ALA 75 CO -0.06 0.25 0.21 -1.64 0.00 0.00 0.00 175.76 174.52 1nsk s MET 76 N -0.24 0.98 -0.08 0.00 -1.94 0.77 -0.71 119.30 118.08 1nsk s MET 76 Ca 0.23 -1.11 0.02 0.00 -1.71 0.00 0.00 55.69 53.12 1nsk s MET 76 Cb -0.16 0.34 0.01 0.00 2.01 0.00 0.00 34.83 37.04 1nsk s MET 76 CO 0.11 -0.33 -0.12 0.08 -0.01 0.00 0.00 175.02 174.75 1nsk s VAL 77 N -3.93 1.16 -0.11 -6.03 1.01 0.03 -0.71 120.40 111.82 1nsk s VAL 77 Ca 0.12 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1nsk s VAL 77 Cb 0.05 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.36 1nsk s VAL 77 CO -0.05 0.37 -0.20 0.26 0.00 0.00 0.00 175.10 175.48 1nsk s TRP 78 N 0.82 2.29 0.06 5.22 0.52 -0.51 -0.65 118.94 126.70 1nsk s TRP 78 Ca -0.11 -1.03 0.00 0.00 0.02 0.00 0.00 56.10 54.98 1nsk s TRP 78 Cb -0.15 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 1nsk s TRP 78 CO 0.02 -0.47 0.20 -2.00 0.02 0.00 0.00 176.95 174.72 1nsk s GLU 79 N 0.68 3.40 0.00 4.98 2.12 -0.11 -0.71 118.70 129.07 1nsk s GLU 79 Ca -0.12 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1nsk s GLU 79 Cb -0.16 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1nsk s GLU 79 CO 0.03 0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.76 1nsk n GLY 80 N 0.28 2.73 3.63 -1.50 0.00 -1.24 -1.55 105.19 107.55 1nsk n GLY 80 Ca -0.05 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 1nsk n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nsk s LEU 81 N 0.00 3.85 -1.26 0.99 2.96 -1.26 -1.41 118.68 122.54 1nsk s LEU 81 Ca 0.00 1.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1nsk s LEU 81 Cb 0.00 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1nsk s LEU 81 CO 0.00 -1.47 0.00 -3.20 -1.32 0.00 0.00 176.35 170.36 1nsk n ASN 82 N 9.39 -4.38 -0.29 3.68 2.85 -1.23 -4.92 115.26 120.35 1nsk n ASN 82 Ca 0.23 0.08 0.12 0.00 -0.11 0.00 0.00 54.58 54.89 1nsk n ASN 82 Cb 0.44 -3.43 0.27 0.00 1.24 0.00 0.00 39.78 38.30 1nsk n ASN 82 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1nsk h VAL 83 N 0.00 0.39 0.24 3.44 2.07 -1.80 -1.55 116.25 119.04 1nsk h VAL 83 Ca -0.32 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1nsk h VAL 83 Cb 1.15 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1nsk h VAL 83 CO 0.40 0.05 -0.23 0.58 0.02 0.00 0.00 177.57 178.38 1nsk h VAL 84 N 0.27 0.50 0.51 2.57 2.07 -1.89 0.56 116.25 120.85 1nsk h VAL 84 Ca 0.53 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.02 1nsk h VAL 84 Cb 1.02 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1nsk h VAL 84 CO -0.59 0.00 -0.25 0.50 0.02 0.00 0.00 177.57 177.25 1nsk h LYS 85 N -0.50 -0.67 -0.46 1.57 3.64 -1.72 -2.60 116.57 115.83 1nsk h LYS 85 Ca -0.00 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1nsk h LYS 85 Cb 0.47 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1nsk h LYS 85 CO -0.05 -0.36 -0.11 1.79 -2.27 0.00 0.00 179.45 178.44 1nsk h THR 86 N -0.93 1.26 -0.68 1.00 1.35 -1.37 -2.52 112.91 111.03 1nsk h THR 86 Ca -0.07 -1.20 0.07 0.00 -0.55 0.00 0.00 66.41 64.66 1nsk h THR 86 Cb 0.61 1.03 -0.06 0.00 -1.73 0.00 0.00 68.15 68.00 1nsk h THR 86 CO 0.12 0.41 0.36 1.23 -0.25 0.00 0.00 175.52 177.39 1nsk h GLY 87 N 0.97 1.00 1.09 5.82 0.00 0.11 0.12 103.07 112.19 1nsk h GLY 87 Ca 0.12 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1nsk h GLY 87 CO 0.04 0.12 0.12 3.21 0.00 0.00 0.00 176.54 180.04 1nsk h ARG 88 N 0.66 1.11 -0.89 4.80 3.08 -1.22 -0.91 114.38 121.01 1nsk h ARG 88 Ca 0.31 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nsk h ARG 88 Cb 0.24 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1nsk h ARG 88 CO -0.21 1.00 0.55 0.28 -1.07 0.00 0.00 179.97 180.53 1nsk h VAL 89 N 1.04 1.24 -0.05 2.04 2.07 -0.74 0.13 116.25 121.97 1nsk h VAL 89 Ca 0.21 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1nsk h VAL 89 Cb 0.43 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1nsk h VAL 89 CO 0.01 0.25 -0.30 0.24 0.02 0.00 0.00 177.57 177.79 1nsk h MET 90 N 1.22 0.09 -0.08 1.57 2.86 -0.28 -2.65 114.93 117.66 1nsk h MET 90 Ca 0.32 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.73 1nsk h MET 90 Cb -0.08 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.58 1nsk h MET 90 CO -0.06 0.38 -0.79 -0.07 1.06 0.00 0.00 176.91 177.42 1nsk h LEU 91 N 0.08 0.62 0.00 1.22 4.07 0.46 -1.47 115.31 120.29 1nsk h LEU 91 Ca 0.01 -0.42 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1nsk h LEU 91 Cb 0.57 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1nsk h LEU 91 CO 0.04 1.19 0.00 0.61 -1.08 0.00 0.00 178.44 179.20 1nsk n GLY 92 N 0.69 0.07 3.70 0.83 0.00 0.22 -1.39 105.19 109.30 1nsk n GLY 92 Ca -0.06 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 1nsk n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nsk s GLU 93 N -1.14 1.70 0.45 1.61 0.41 -1.26 -4.81 118.70 115.66 1nsk s GLU 93 Ca 0.00 1.80 0.21 0.00 -0.41 0.00 0.00 54.97 56.57 1nsk s GLU 93 Cb 0.00 -1.78 1.09 0.00 -1.78 0.00 0.00 34.13 31.66 1nsk s GLU 93 CO 0.00 -2.18 1.95 1.15 -0.49 0.00 0.00 175.26 175.69 1nsk h THR 94 N -0.77 0.84 -3.18 3.63 2.02 -1.95 -3.37 112.91 110.13 1nsk h THR 94 Ca -0.47 -0.88 -0.70 0.00 0.77 0.00 0.00 66.41 65.13 1nsk h THR 94 Cb 1.30 1.52 -0.20 0.00 -1.74 0.00 0.00 68.15 69.04 1nsk h THR 94 CO 0.47 0.22 -0.03 0.21 0.37 0.00 0.00 175.52 176.76 1nsk s ASN 95 N -6.49 6.20 0.58 4.18 3.84 -1.26 -4.78 114.94 117.20 1nsk s ASN 95 Ca -0.02 -1.16 0.37 0.00 0.21 0.00 0.00 52.86 52.25 1nsk s ASN 95 Cb 0.13 -2.27 1.41 0.00 -0.55 0.00 0.00 41.25 39.98 1nsk s ASN 95 CO 0.65 -0.89 1.60 -0.65 -2.79 0.00 0.00 177.10 175.02 1nsk h PRO 96 N 8.98 0.00 0.00 0.43 0.11 -1.78 0.53 132.00 140.27 1nsk h PRO 96 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1nsk h PRO 96 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1nsk h PRO 96 CO 0.98 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.75 1nsk h ALA 97 N 1.03 1.95 -0.01 -0.75 0.00 -1.90 -2.39 119.26 117.20 1nsk h ALA 97 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1nsk h ALA 97 Cb 2.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.53 1nsk h ALA 97 CO -0.01 0.02 -0.46 -0.25 0.00 0.00 0.00 179.25 178.55 1nsk n ASP 98 N -4.49 1.46 -4.70 0.00 8.00 0.18 -4.96 116.55 112.05 1nsk n ASP 98 Ca -0.03 -1.23 -0.42 0.00 0.71 0.00 0.00 54.79 53.82 1nsk n ASP 98 Cb 0.10 0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 41.78 1nsk n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nsk s SER 99 N -2.13 6.78 0.33 -2.24 0.01 -0.90 -4.58 113.70 110.96 1nsk s SER 99 Ca 0.12 2.28 -0.24 0.00 1.31 0.00 0.00 55.95 59.42 1nsk s SER 99 Cb 0.13 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 1nsk s SER 99 CO 0.49 -0.74 0.91 -0.54 0.41 0.00 0.00 173.24 173.78 1nsk s LYS 100 N 2.01 4.48 0.28 12.44 -0.14 -1.26 -4.48 119.74 133.07 1nsk s LYS 100 Ca 0.67 1.23 -0.29 0.00 -1.36 0.00 0.00 55.97 56.21 1nsk s LYS 100 Cb -0.35 -2.70 -0.13 0.00 -1.68 0.00 0.00 37.83 32.96 1nsk s LYS 100 CO 0.29 0.24 1.23 -2.30 -0.76 0.00 0.00 175.35 174.06 1nsk n PRO 101 N 0.37 1.80 0.00 -1.68 -0.02 -1.26 -2.11 135.00 132.10 1nsk n PRO 101 Ca 0.02 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1nsk n PRO 101 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1nsk n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsk n GLY 102 N 1.40 2.71 3.93 -1.23 0.00 -1.26 -4.99 105.19 105.75 1nsk n GLY 102 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1nsk n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nsk s THR 103 N -2.42 5.14 0.12 2.61 -4.23 -0.90 -4.93 115.64 111.03 1nsk s THR 103 Ca 0.00 -0.37 -0.32 0.00 -1.18 0.00 0.00 61.69 59.82 1nsk s THR 103 Cb 0.00 -3.79 -0.10 0.00 1.34 0.00 0.00 72.50 69.95 1nsk s THR 103 CO 0.00 -0.36 1.56 0.40 -0.54 0.00 0.00 174.62 175.69 1nsk h ILE 104 N 1.18 0.05 -0.75 2.99 2.04 -1.34 0.19 117.51 121.87 1nsk h ILE 104 Ca -0.49 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1nsk h ILE 104 Cb 1.20 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1nsk h ILE 104 CO 0.65 0.00 0.33 0.03 0.00 0.00 0.00 178.15 179.16 1nsk h ARG 105 N -0.56 1.10 0.00 2.37 3.08 -1.48 -0.33 114.38 118.56 1nsk h ARG 105 Ca 0.05 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1nsk h ARG 105 Cb 0.67 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1nsk h ARG 105 CO -0.42 0.88 -0.07 0.78 -1.07 0.00 0.00 179.97 180.08 1nsk h GLY 106 N 1.07 0.00 0.41 0.04 0.00 -1.49 -1.77 103.07 101.32 1nsk h GLY 106 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.33 1nsk h GLY 106 CO -0.03 0.00 -1.98 1.22 0.00 0.00 0.00 176.54 175.75 1nsk n ASP 107 N -4.30 0.36 -0.00 0.19 8.00 0.57 -4.57 116.55 116.79 1nsk n ASP 107 Ca -0.03 0.16 0.03 0.00 0.71 0.00 0.00 54.79 55.66 1nsk n ASP 107 Cb 0.15 0.76 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 1nsk n ASP 107 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nsk n PHE 108 N -2.76 0.00 -4.22 1.24 3.72 -0.18 -5.08 117.46 110.18 1nsk n PHE 108 Ca -0.20 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.07 1nsk n PHE 108 Cb 0.98 -0.02 -0.10 0.00 -0.94 0.00 0.00 39.48 39.40 1nsk n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nsk n ILE 110 N -0.23 0.37 -3.83 0.00 5.41 -1.26 -4.73 119.36 115.08 1nsk n ILE 110 Ca -0.04 0.02 -0.32 0.00 1.00 0.00 0.00 62.75 63.42 1nsk n ILE 110 Cb 0.64 -1.57 -0.05 0.00 -0.71 0.00 0.00 39.64 37.96 1nsk n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nsk s GLN 111 N -2.07 3.51 0.37 0.38 0.74 -1.26 -3.86 119.66 117.47 1nsk s GLN 111 Ca -0.05 -0.27 0.09 0.00 0.05 0.00 0.00 55.36 55.19 1nsk s GLN 111 Cb 0.02 -3.01 0.74 0.00 1.10 0.00 0.00 33.01 31.85 1nsk s GLN 111 CO 0.06 0.60 1.89 0.28 -0.55 0.00 0.00 175.29 177.57 1nsk h VAL 112 N 2.39 1.19 -0.47 1.34 2.07 -1.94 -2.14 116.25 118.70 1nsk h VAL 112 Ca -0.47 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.25 1nsk h VAL 112 Cb 1.17 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1nsk h VAL 112 CO 0.72 0.26 0.22 1.23 0.02 0.00 0.00 177.57 180.03 1nsk h GLY 113 N 0.79 0.64 -6.95 2.17 0.00 -1.94 -3.20 103.07 94.58 1nsk h GLY 113 Ca 0.05 -0.15 -0.68 0.00 0.00 0.00 0.00 47.33 46.55 1nsk h GLY 113 CO 0.02 0.09 -0.16 0.54 0.00 0.00 0.00 176.54 177.04 1nsk n ARG 114 N -4.92 2.75 -1.16 4.80 5.12 -0.82 -4.88 116.66 117.56 1nsk n ARG 114 Ca 0.03 -4.54 -0.22 0.00 -1.93 0.00 0.00 57.85 51.19 1nsk n ARG 114 Cb 0.13 -2.37 0.18 0.00 -1.16 0.00 0.00 32.46 29.24 1nsk n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nsk n ASN 115 N 1.76 3.76 0.00 0.55 6.94 -1.14 -4.33 115.26 122.79 1nsk n ASN 115 Ca 0.24 -3.52 0.00 0.00 -0.02 0.00 0.00 54.58 51.28 1nsk n ASN 115 Cb 0.37 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 1nsk n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nsk n ILE 116 N -1.03 0.00 -3.73 1.53 -5.35 -1.26 -4.78 119.36 104.74 1nsk n ILE 116 Ca 0.56 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.95 1nsk n ILE 116 Cb 1.61 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.47 1nsk n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1nsk s ILE 117 N -0.01 0.05 -0.01 7.28 2.07 -1.26 -1.72 121.20 127.60 1nsk s ILE 117 Ca 0.00 -0.79 0.01 0.00 -1.41 0.00 0.00 60.65 58.46 1nsk s ILE 117 Cb 0.00 -1.45 0.01 0.00 0.13 0.00 0.00 42.46 41.15 1nsk s ILE 117 CO 0.00 -0.23 -0.03 -2.28 -1.91 0.00 0.00 174.94 170.49 1nsk s HIS 118 N -3.86 0.34 0.02 3.50 5.65 0.13 -4.87 115.29 116.21 1nsk s HIS 118 Ca 0.08 -0.05 0.03 0.00 0.25 0.00 0.00 55.06 55.37 1nsk s HIS 118 Cb 0.01 -0.29 -0.02 0.00 -1.18 0.00 0.00 32.58 31.11 1nsk s HIS 118 CO -0.06 -0.05 -0.11 0.20 -0.65 0.00 0.00 174.74 174.07 1nsk s GLY 119 N 0.27 0.58 0.39 1.59 0.00 -1.26 -0.41 107.32 108.48 1nsk s GLY 119 Ca -0.03 -0.62 -0.27 0.00 0.00 0.00 0.00 44.72 43.80 1nsk s GLY 119 CO -0.01 -0.59 1.45 1.44 0.00 0.00 0.00 173.10 175.39 1nsk n SER 120 N 2.24 3.55 0.10 1.64 7.64 -1.01 -4.91 113.62 122.87 1nsk n SER 120 Ca -0.17 1.20 0.13 0.00 1.01 0.00 0.00 58.87 61.04 1nsk n SER 120 Cb 0.56 -1.60 0.35 0.00 -1.01 0.00 0.00 64.21 62.51 1nsk n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nsk n ASP 121 N 0.36 0.82 -3.64 6.43 5.75 -1.26 -4.84 116.55 120.16 1nsk n ASP 121 Ca 0.03 0.48 -0.07 0.00 -0.01 0.00 0.00 54.79 55.22 1nsk n ASP 121 Cb 0.39 -0.59 -0.02 0.00 -1.03 0.00 0.00 41.12 39.87 1nsk n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nsk s SER 122 N -4.51 -0.31 0.34 -1.12 1.04 -1.26 -4.97 113.70 102.90 1nsk s SER 122 Ca 0.10 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1nsk s SER 122 Cb 0.12 0.51 0.59 0.00 0.10 0.00 0.00 66.02 67.35 1nsk s SER 122 CO 0.63 -0.90 2.00 -0.37 0.98 0.00 0.00 173.24 175.58 1nsk h VAL 123 N 2.00 1.17 -0.43 5.02 -1.51 -1.92 0.33 116.25 120.93 1nsk h VAL 123 Ca -0.24 -0.34 -0.08 0.00 -1.23 0.00 0.00 66.70 64.81 1nsk h VAL 123 Cb 1.25 0.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 1nsk h VAL 123 CO 0.29 0.17 -0.04 0.50 -1.23 0.00 0.00 177.57 177.26 1nsk h LYS 124 N 0.90 0.78 -0.22 5.19 3.64 -1.98 -1.59 116.57 123.29 1nsk h LYS 124 Ca 0.24 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1nsk h LYS 124 Cb -0.09 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1nsk h LYS 124 CO -0.05 0.87 -0.51 0.77 -2.27 0.00 0.00 179.45 178.25 1nsk h SER 125 N 0.61 0.67 0.37 4.20 0.02 -1.85 -2.85 113.55 114.73 1nsk h SER 125 Ca 0.12 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1nsk h SER 125 Cb 0.54 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 1nsk h SER 125 CO 0.03 1.07 -0.48 0.00 -1.14 0.00 0.00 176.83 176.30 1nsk h ALA 126 N 0.95 -1.02 -0.93 3.77 0.00 -0.03 0.61 119.26 122.61 1nsk h ALA 126 Ca 0.02 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nsk h ALA 126 Cb 1.06 0.73 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 1nsk h ALA 126 CO 0.10 -1.12 0.60 0.93 0.00 0.00 0.00 179.25 179.76 1nsk h GLU 127 N -0.89 1.01 0.60 0.00 4.39 -1.34 0.22 114.58 118.56 1nsk h GLU 127 Ca -0.04 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1nsk h GLU 127 Cb 0.81 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1nsk h GLU 127 CO -0.13 0.67 -0.29 0.87 -1.16 0.00 0.00 179.01 178.97 1nsk h LYS 128 N 1.04 -0.78 -0.75 2.33 1.57 -1.20 -2.11 116.57 116.67 1nsk h LYS 128 Ca 0.40 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.28 1nsk h LYS 128 Cb 0.23 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.66 1nsk h LYS 128 CO -0.16 -0.51 0.46 0.93 -0.57 0.00 0.00 179.45 179.60 1nsk h GLU 129 N -0.82 0.86 -0.65 3.15 5.08 -0.26 0.19 114.58 122.13 1nsk h GLU 129 Ca -0.08 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1nsk h GLU 129 Cb 0.63 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1nsk h GLU 129 CO 0.14 0.57 0.39 0.82 -1.00 0.00 0.00 179.01 179.92 1nsk h ILE 130 N 0.89 1.05 -0.40 3.13 2.04 -0.50 0.16 117.51 123.87 1nsk h ILE 130 Ca 0.31 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 1nsk h ILE 130 Cb 0.06 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1nsk h ILE 130 CO -0.13 0.14 -0.14 0.28 0.00 0.00 0.00 178.15 178.30 1nsk h SER 131 N 0.75 0.81 -0.02 1.72 0.02 -0.76 0.48 113.55 116.55 1nsk h SER 131 Ca 0.27 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 1nsk h SER 131 Cb 0.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1nsk h SER 131 CO -0.13 1.01 -0.25 0.25 -1.14 0.00 0.00 176.83 176.58 1nsk h LEU 132 N 0.61 0.43 0.00 5.07 7.12 -0.51 -3.30 115.31 124.73 1nsk h LEU 132 Ca 0.10 -0.14 -0.29 0.00 0.13 0.00 0.00 57.88 57.67 1nsk h LEU 132 Cb 0.68 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 40.64 1nsk h LEU 132 CO 0.05 0.68 -2.15 0.79 -0.13 0.00 0.00 178.44 177.68 1nsk n TRP 133 N -4.13 0.24 -4.38 1.25 7.02 0.52 -5.00 117.44 112.96 1nsk n TRP 133 Ca -0.00 0.08 -0.25 0.00 -1.02 0.00 0.00 57.50 56.31 1nsk n TRP 133 Cb 0.39 -0.97 -0.12 0.00 -2.42 0.00 0.00 31.31 28.20 1nsk n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1nsk s PHE 134 N -2.68 2.11 0.01 -5.99 0.08 0.17 -5.07 117.98 106.60 1nsk s PHE 134 Ca -0.08 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.45 1nsk s PHE 134 Cb 0.08 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.40 1nsk s PHE 134 CO 0.84 0.40 0.36 0.15 -0.10 0.00 0.00 175.22 176.87 1nsk s LYS 135 N -2.56 3.78 0.38 0.44 1.02 -1.26 -4.41 119.74 117.13 1nsk s LYS 135 Ca 0.17 0.23 0.17 0.00 0.02 0.00 0.00 55.97 56.57 1nsk s LYS 135 Cb -0.08 -3.14 1.09 0.00 -0.52 0.00 0.00 37.83 35.19 1nsk s LYS 135 CO 0.08 0.66 1.73 -1.00 -0.92 0.00 0.00 175.35 175.90 1nsk h PRO 136 N 4.40 0.38 0.00 -1.68 0.13 -1.93 0.31 132.00 133.60 1nsk h PRO 136 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1nsk h PRO 136 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1nsk h PRO 136 CO 0.63 0.25 0.00 -1.91 -0.23 0.00 0.00 178.00 176.74 1nsk n GLU 137 N -4.74 0.53 0.05 0.86 2.13 -1.26 -2.49 120.64 115.72 1nsk n GLU 137 Ca 0.28 0.03 0.11 0.00 0.66 0.00 0.00 57.16 58.25 1nsk n GLU 137 Cb 0.93 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.14 1nsk n GLU 137 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1nsk n GLU 138 N -1.10 0.46 -2.69 5.31 1.02 0.11 -4.74 120.64 119.01 1nsk n GLU 138 Ca 0.14 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 1nsk n GLU 138 Cb 0.11 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 1nsk n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nsk s LEU 139 N -4.55 3.69 0.22 -4.62 1.43 -1.04 -4.53 118.68 109.28 1nsk s LEU 139 Ca 0.01 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1nsk s LEU 139 Cb 0.12 -2.76 -0.08 0.00 0.03 0.00 0.00 46.19 43.50 1nsk s LEU 139 CO 0.81 -1.52 1.03 -0.69 0.23 0.00 0.00 176.35 176.20 1nsk s VAL 140 N 4.79 3.89 -0.30 -1.59 1.01 0.68 -4.99 120.40 123.88 1nsk s VAL 140 Ca 0.34 1.79 -0.02 0.00 0.00 0.00 0.00 61.98 64.08 1nsk s VAL 140 Cb -0.11 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.18 1nsk s VAL 140 CO 0.18 0.38 0.01 -1.81 0.00 0.00 0.00 175.10 173.86 1nsk s ASP 141 N -0.68 4.91 0.29 3.32 1.01 -1.26 -4.69 116.67 119.57 1nsk s ASP 141 Ca 0.45 -1.23 0.01 0.00 0.71 0.00 0.00 52.55 52.49 1nsk s ASP 141 Cb -0.28 -1.73 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 1nsk s ASP 141 CO 0.35 -0.26 0.35 0.00 0.21 0.00 0.00 175.17 175.82 1nsk n TYR 142 N 4.65 -1.07 -4.02 4.23 4.11 -1.26 -5.16 117.16 118.64 1nsk n TYR 142 Ca -0.13 -2.15 -0.25 0.00 -0.00 0.00 0.00 57.90 55.37 1nsk n TYR 142 Cb 0.44 0.39 -0.17 0.00 -0.00 0.00 0.00 39.34 40.00 1nsk n TYR 142 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1nsk s LYS 143 N -2.86 1.40 0.22 -3.48 2.20 -1.26 -5.11 119.74 110.84 1nsk s LYS 143 Ca 0.28 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.35 1nsk s LYS 143 Cb 0.00 -1.43 -0.11 0.00 -1.51 0.00 0.00 37.83 34.78 1nsk s LYS 143 CO 0.20 -0.21 1.64 -1.54 -0.36 0.00 0.00 175.35 175.08 1nsk s SER 144 N 1.52 6.45 0.64 1.43 1.04 -1.26 -4.89 113.70 118.63 1nsk s SER 144 Ca 0.01 2.80 0.39 0.00 0.48 0.00 0.00 55.95 59.63 1nsk s SER 144 Cb -0.13 -2.61 2.17 0.00 0.10 0.00 0.00 66.02 65.55 1nsk s SER 144 CO -0.05 -0.90 2.30 0.00 0.98 0.00 0.00 173.24 175.56 1nsk n ALA 146 N -2.15 3.08 -0.30 0.00 0.00 -1.26 -4.66 120.51 115.22 1nsk n ALA 146 Ca -0.03 -1.72 0.04 0.00 0.00 0.00 0.00 53.44 51.74 1nsk n ALA 146 Cb 0.11 -0.91 0.19 0.00 0.00 0.00 0.00 19.45 18.84 1nsk n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nsk h HIS 147 N 3.47 0.89 0.00 0.00 6.17 -1.49 -0.61 115.15 123.59 1nsk h HIS 147 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1nsk h HIS 147 Cb 1.45 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 31.11 1nsk h HIS 147 CO 0.71 0.34 0.00 -0.25 0.71 0.00 0.00 177.93 179.44 1nsk n ASP 148 N -4.74 0.16 0.01 3.26 8.00 -1.26 -1.48 116.55 120.49 1nsk n ASP 148 Ca 0.15 0.53 0.11 0.00 0.71 0.00 0.00 54.79 56.29 1nsk n ASP 148 Cb 0.31 -0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1nsk n ASP 148 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nsk n TRP 149 N -1.66 0.11 -0.08 1.24 7.02 -0.28 -4.12 117.44 119.65 1nsk n TRP 149 Ca 0.05 0.03 -0.14 0.00 -1.02 0.00 0.00 57.50 56.42 1nsk n TRP 149 Cb 0.27 -0.26 -0.14 0.00 -2.42 0.00 0.00 31.31 28.76 1nsk n TRP 149 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1nsk n VAL 150 N -1.74 1.51 -0.14 -0.99 0.31 -0.90 -5.14 118.33 111.23 1nsk n VAL 150 Ca 0.03 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1nsk n VAL 150 Cb 0.39 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 1nsk n VAL 150 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29