#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 -3.60 0.00 0.00 -1.26 -5.72 120.51 nan 1nsk n ALA 2 Ca nan 0.00 -0.04 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 -1.76 -0.13 0.00 0.00 2.47 -1.26 -5.16 114.94 109.10 1nsk s ASN 3 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.31 1nsk s ASN 3 Cb 0.00 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.93 1nsk s ASN 3 CO 0.00 -0.20 0.00 0.18 -3.72 0.00 0.00 177.10 173.36 1nsk n LEU 4 N 0.03 0.00 0.00 3.21 4.77 -1.26 -4.33 117.00 119.42 1nsk n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nsk n LEU 4 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1nsk n LEU 4 CO 0.09 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.53 1nsk n GLU 5 N 0.00 0.00 0.00 3.23 1.02 -0.96 -3.34 120.64 120.59 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 -3.86 3.49 0.63 -1.26 -3.81 116.66 111.85 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 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 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 -1.63 0.11 -0.27 5.15 -1.32 0.31 -4.52 115.64 113.46 1nsk s THR 7 Ca 0.00 -1.16 -0.09 0.00 -1.21 0.00 0.00 61.69 59.24 1nsk s THR 7 Cb 0.00 -1.47 -0.03 0.00 -1.51 0.00 0.00 72.50 69.49 1nsk s THR 7 CO 0.00 -0.49 0.12 0.12 -2.21 0.00 0.00 174.62 172.15 1nsk s PHE 8 N -3.89 3.14 -0.15 9.09 5.36 -1.26 -1.12 117.98 129.15 1nsk s PHE 8 Ca 0.08 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.69 1nsk s PHE 8 Cb 0.04 -2.30 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 1nsk s PHE 8 CO -0.08 -0.35 -0.17 0.42 -1.46 0.00 0.00 175.22 173.58 1nsk s ILE 9 N 1.64 2.51 -0.10 3.12 -1.09 -0.27 -2.29 121.20 124.72 1nsk s ILE 9 Ca 0.06 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1nsk s ILE 9 Cb -0.16 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.69 1nsk s ILE 9 CO 0.06 0.53 -0.15 0.00 -1.23 0.00 0.00 174.94 174.14 1nsk s ALA 10 N 0.77 1.64 -0.39 9.38 0.00 0.07 -0.24 121.76 132.99 1nsk s ALA 10 Ca -0.07 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1nsk s ALA 10 Cb -0.16 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1nsk s ALA 10 CO 0.00 0.00 0.65 0.42 0.00 0.00 0.00 175.76 176.84 1nsk s ILE 11 N 0.86 4.85 0.89 0.00 1.01 0.86 -0.29 121.20 129.37 1nsk s ILE 11 Ca -0.10 0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 1nsk s ILE 11 Cb -0.15 -4.14 0.13 0.00 0.01 0.00 0.00 42.46 38.31 1nsk s ILE 11 CO 0.01 -0.43 1.11 -0.54 0.00 0.00 0.00 174.94 175.09 1nsk s LYS 12 N 2.80 1.25 0.28 2.79 1.02 -0.23 -1.55 119.74 126.10 1nsk s LYS 12 Ca 0.24 1.25 -0.00 0.00 0.02 0.00 0.00 55.97 57.49 1nsk s LYS 12 Cb -0.14 -1.78 0.65 0.00 -0.52 0.00 0.00 37.83 36.05 1nsk s LYS 12 CO 0.17 -2.38 1.63 -1.35 -0.92 0.00 0.00 175.35 172.50 1nsk h PRO 13 N -1.67 0.15 -0.36 -1.68 0.11 -1.82 0.14 132.00 126.87 1nsk h PRO 13 Ca -0.46 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 1nsk h PRO 13 Cb 1.27 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1nsk h PRO 13 CO 0.47 0.10 -0.09 0.38 -0.21 0.00 0.00 178.00 178.65 1nsk h ASP 14 N 0.15 0.59 -0.60 -2.05 2.03 -1.89 0.24 116.42 114.89 1nsk h ASP 14 Ca 0.53 -0.15 -0.09 0.00 -0.73 0.00 0.00 57.03 56.59 1nsk h ASP 14 Cb 1.04 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.36 1nsk h ASP 14 CO -0.70 0.72 0.04 1.23 -1.03 0.00 0.00 179.24 179.50 1nsk h GLY 15 N 0.94 1.14 0.54 7.15 0.00 -0.90 0.04 103.07 111.98 1nsk h GLY 15 Ca 0.10 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1nsk h GLY 15 CO 0.03 0.74 -0.03 -2.08 0.00 0.00 0.00 176.54 175.20 1nsk h VAL 16 N 0.97 1.23 -0.92 4.60 2.07 -1.00 -1.61 116.25 121.58 1nsk h VAL 16 Ca 0.18 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.77 1nsk h VAL 16 Cb 0.51 1.89 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 1nsk h VAL 16 CO 0.02 0.25 0.60 1.56 0.02 0.00 0.00 177.57 180.02 1nsk h GLN 17 N -0.54 0.94 -0.31 1.57 1.08 -0.83 -0.55 115.11 116.47 1nsk h GLN 17 Ca -0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1nsk h GLN 17 Cb 0.47 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1nsk h GLN 17 CO 0.01 0.62 0.00 0.54 -0.95 0.00 0.00 178.83 179.05 1nsk n ARG 18 N -4.53 1.62 -3.47 1.46 1.74 -0.01 -4.94 116.66 108.53 1nsk n ARG 18 Ca 0.15 -0.86 -0.23 0.00 -0.77 0.00 0.00 57.85 56.14 1nsk n ARG 18 Cb 0.27 -1.25 0.06 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.80 -1.04 0.03 -0.13 0.00 -0.22 -4.94 105.19 99.69 1nsk n GLY 19 Ca 0.08 0.50 0.04 0.00 0.00 0.00 0.00 46.02 46.64 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 -3.73 2.12 0.09 0.99 4.77 -0.62 -4.78 117.00 115.85 1nsk n LEU 20 Ca -0.09 -2.42 -0.13 0.00 -0.03 0.00 0.00 56.01 53.34 1nsk n LEU 20 Cb 0.61 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1nsk n LEU 20 CO 0.63 0.58 0.74 0.58 -1.33 0.00 0.00 177.39 178.59 1nsk h VAL 21 N 0.03 0.95 -0.71 4.08 2.07 -1.88 -1.71 116.25 119.09 1nsk h VAL 21 Ca 0.00 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1nsk h VAL 21 Cb 0.70 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1nsk h VAL 21 CO 0.00 0.08 0.42 1.23 0.02 0.00 0.00 177.57 179.32 1nsk h GLY 22 N -0.34 1.03 0.98 2.17 0.00 -1.97 -1.53 103.07 103.42 1nsk h GLY 22 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1nsk h GLY 22 CO 0.03 0.42 0.03 0.83 0.00 0.00 0.00 176.54 177.85 1nsk h GLU 23 N 0.96 0.06 -0.05 4.80 4.39 -1.87 0.17 114.58 123.05 1nsk h GLU 23 Ca 0.25 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 1nsk h GLU 23 Cb -0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1nsk h GLU 23 CO -0.05 0.06 0.03 0.82 -1.16 0.00 0.00 179.01 178.72 1nsk h ILE 24 N 0.04 1.04 0.01 3.13 2.04 -1.14 -1.81 117.51 120.83 1nsk h ILE 24 Ca 0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1nsk h ILE 24 Cb 0.02 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1nsk h ILE 24 CO -0.00 0.03 -0.01 0.40 0.00 0.00 0.00 178.15 178.57 1nsk h ILE 25 N 0.04 1.03 -0.72 -0.67 2.04 -1.23 -2.78 117.51 115.22 1nsk h ILE 25 Ca 0.02 -0.13 0.16 0.00 1.00 0.00 0.00 64.86 65.91 1nsk h ILE 25 Cb 0.03 1.12 -0.13 0.00 -0.74 0.00 0.00 36.82 37.10 1nsk h ILE 25 CO -0.00 0.03 -0.02 0.50 0.00 0.00 0.00 178.15 178.66 1nsk h LYS 26 N -0.07 0.09 -0.76 2.37 3.64 -0.81 -0.10 116.57 120.92 1nsk h LYS 26 Ca -0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1nsk h LYS 26 Cb 0.07 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 1nsk h LYS 26 CO 0.00 0.06 0.45 0.00 -2.27 0.00 0.00 179.45 177.69 1nsk h ARG 27 N 0.09 0.81 -0.17 1.90 3.08 -1.05 0.69 114.38 119.72 1nsk h ARG 27 Ca 0.38 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.26 1nsk h ARG 27 Cb 0.66 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1nsk h ARG 27 CO -0.65 0.53 -0.44 0.74 -1.07 0.00 0.00 179.97 179.08 1nsk h PHE 28 N 0.83 0.51 0.07 3.04 -1.00 -0.91 -2.79 116.94 116.69 1nsk h PHE 28 Ca 0.33 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.96 1nsk h PHE 28 Cb 0.17 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1nsk h PHE 28 CO -0.05 0.80 -0.03 0.93 -1.61 0.00 0.00 178.31 178.34 1nsk h GLU 29 N 0.35 -0.09 0.00 1.51 5.08 -0.28 -2.74 114.58 118.40 1nsk h GLU 29 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1nsk h GLU 29 Cb 0.92 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1nsk h GLU 29 CO 0.08 0.20 0.00 -0.56 -1.00 0.00 0.00 179.01 177.73 1nsk h GLN 30 N -0.39 0.00 0.00 2.33 3.07 -0.87 -2.04 115.11 117.21 1nsk h GLN 30 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.56 1nsk h GLN 30 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.87 1nsk h GLN 30 CO 0.02 0.00 -0.80 -0.22 0.09 0.00 0.00 178.83 177.92 1nsk h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.31 -3.47 116.57 113.47 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 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1nsk h LYS 31 CO 0.00 0.80 0.00 0.41 -3.45 0.00 0.00 179.45 177.21 1nsk n GLY 32 N 1.13 0.98 3.84 5.01 0.00 -0.76 -5.11 105.19 110.28 1nsk n GLY 32 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.43 -0.07 1.61 0.08 -1.05 -4.97 117.98 115.01 1nsk s PHE 33 Ca 0.00 1.46 0.03 0.00 0.12 0.00 0.00 56.93 58.54 1nsk s PHE 33 Cb 0.00 -2.80 -0.02 0.00 -0.57 0.00 0.00 43.02 39.63 1nsk s PHE 33 CO 0.00 -0.46 -0.16 -0.98 -0.10 0.00 0.00 175.22 173.53 1nsk s ARG 34 N -4.17 2.74 -0.40 0.44 1.70 -0.64 -4.53 118.95 114.10 1nsk s ARG 34 Ca 0.59 -0.73 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 1nsk s ARG 34 Cb -0.10 -2.41 0.01 0.00 -0.57 0.00 0.00 34.95 31.88 1nsk s ARG 34 CO 0.34 0.48 1.42 -1.17 -1.08 0.00 0.00 175.30 175.28 1nsk s LEU 35 N -0.35 3.61 -0.10 -1.89 0.20 -1.26 -0.63 118.68 118.26 1nsk s LEU 35 Ca 0.03 0.89 -0.12 0.00 0.69 0.00 0.00 54.13 55.62 1nsk s LEU 35 Cb -0.12 -3.54 -0.28 0.00 -0.43 0.00 0.00 46.19 41.82 1nsk s LEU 35 CO 0.02 -1.41 0.52 0.58 -0.29 0.00 0.00 176.35 175.77 1nsk h VAL 36 N 6.43 0.87 -2.48 1.68 2.07 -0.79 -3.47 116.25 120.56 1nsk h VAL 36 Ca -0.28 -2.41 -0.09 0.00 0.82 0.00 0.00 66.70 64.75 1nsk h VAL 36 Cb 1.11 2.64 -0.21 0.00 -1.52 0.00 0.00 31.29 33.31 1nsk h VAL 36 CO 1.08 0.80 -0.05 0.00 0.02 0.00 0.00 177.57 179.42 1nsk s ALA 37 N -2.53 -1.31 -0.19 1.67 0.00 -1.17 -0.81 121.76 117.43 1nsk s ALA 37 Ca -0.20 1.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1nsk s ALA 37 Cb 0.05 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.96 1nsk s ALA 37 CO 0.79 -0.30 0.48 1.41 0.00 0.00 0.00 175.76 178.14 1nsk s MET 38 N -0.74 0.49 0.02 0.00 0.00 -1.26 -0.53 119.30 117.28 1nsk s MET 38 Ca -0.08 0.84 -0.07 0.00 0.00 0.00 0.00 55.69 56.37 1nsk s MET 38 Cb -0.03 0.08 -0.00 0.00 0.00 0.00 0.00 34.83 34.88 1nsk s MET 38 CO 0.05 -0.14 0.14 -1.59 0.00 0.00 0.00 175.02 173.49 1nsk s LYS 39 N 1.17 0.55 -0.15 4.11 -2.85 -0.08 -5.01 119.74 117.49 1nsk s LYS 39 Ca -0.07 -0.53 -0.02 0.00 -1.00 0.00 0.00 55.97 54.35 1nsk s LYS 39 Cb -0.07 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.91 1nsk s LYS 39 CO -0.11 -0.14 -0.08 0.12 0.10 0.00 0.00 175.35 175.24 1nsk s PHE 40 N -1.92 2.92 0.13 1.78 5.36 -1.26 -0.76 117.98 124.23 1nsk s PHE 40 Ca -0.10 -0.53 -0.25 0.00 -0.96 0.00 0.00 56.93 55.09 1nsk s PHE 40 Cb -0.05 -1.92 0.07 0.00 -0.34 0.00 0.00 43.02 40.78 1nsk s PHE 40 CO -0.01 -0.17 0.77 -0.48 -1.46 0.00 0.00 175.22 173.87 1nsk s LEU 41 N 0.47 -0.39 -0.45 6.12 2.34 -0.69 -4.98 118.68 121.11 1nsk s LEU 41 Ca -0.06 -0.17 -0.11 0.00 0.06 0.00 0.00 54.13 53.84 1nsk s LEU 41 Cb -0.15 2.37 0.08 0.00 -0.56 0.00 0.00 46.19 47.94 1nsk s LEU 41 CO 0.04 -0.92 0.32 -0.60 -1.06 0.00 0.00 176.35 174.13 1nsk s ARG 42 N -3.51 2.72 0.02 1.48 3.52 -1.26 0.45 118.95 122.37 1nsk s ARG 42 Ca 0.06 -1.47 -0.30 0.00 -0.13 0.00 0.00 55.73 53.89 1nsk s ARG 42 Cb -0.02 -3.93 -0.07 0.00 -1.56 0.00 0.00 34.95 29.37 1nsk s ARG 42 CO -0.06 -1.02 1.62 0.00 -0.81 0.00 0.00 175.30 175.03 1nsk s ALA 43 N 1.49 3.64 0.77 6.12 0.00 -1.26 -4.98 121.76 127.55 1nsk s ALA 43 Ca 0.04 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.93 1nsk s ALA 43 Cb -0.24 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.24 1nsk s ALA 43 CO 0.03 -1.18 1.18 -1.54 0.00 0.00 0.00 175.76 174.25 1nsk s SER 44 N 2.68 4.01 0.46 0.00 1.04 -1.26 -4.31 113.70 116.31 1nsk s SER 44 Ca 0.72 2.25 0.12 0.00 0.48 0.00 0.00 55.95 59.52 1nsk s SER 44 Cb -0.36 -2.58 1.04 0.00 0.10 0.00 0.00 66.02 64.22 1nsk s SER 44 CO 0.31 -2.38 2.07 -0.33 0.98 0.00 0.00 173.24 173.89 1nsk h GLU 45 N -0.70 0.22 0.71 4.02 5.08 -1.93 -0.73 114.58 121.26 1nsk h GLU 45 Ca -0.46 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1nsk h GLU 45 Cb 1.28 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1nsk h GLU 45 CO 0.48 0.19 -0.34 1.49 -1.00 0.00 0.00 179.01 179.83 1nsk h GLU 46 N 0.23 -0.92 -0.95 2.33 4.81 -1.97 -0.01 114.58 118.10 1nsk h GLU 46 Ca 0.06 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.49 1nsk h GLU 46 Cb 0.06 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 29.57 1nsk h GLU 46 CO -0.01 -0.59 0.60 1.25 -0.73 0.00 0.00 179.01 179.54 1nsk h HIS 47 N -1.13 0.99 -0.30 0.92 2.76 -1.83 -1.03 115.15 115.53 1nsk h HIS 47 Ca -0.10 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.95 1nsk h HIS 47 Cb 0.76 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1nsk h HIS 47 CO -0.00 0.37 -0.43 -0.07 -1.30 0.00 0.00 177.93 176.50 1nsk h LEU 48 N 0.85 0.82 -1.03 0.26 3.38 -1.02 -1.93 115.31 116.64 1nsk h LEU 48 Ca 0.48 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1nsk h LEU 48 Cb 0.61 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1nsk h LEU 48 CO -0.24 1.14 0.57 0.11 0.09 0.00 0.00 178.44 180.10 1nsk h LYS 49 N 0.62 1.23 -0.42 1.13 1.57 0.32 0.49 116.57 121.50 1nsk h LYS 49 Ca 0.04 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1nsk h LYS 49 Cb 0.99 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1nsk h LYS 49 CO 0.09 0.85 0.13 1.96 -0.57 0.00 0.00 179.45 181.92 1nsk h GLN 50 N 1.26 0.65 -0.30 3.15 4.20 -1.20 -1.12 115.11 121.75 1nsk h GLN 50 Ca 0.33 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 1nsk h GLN 50 Cb -0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1nsk h GLN 50 CO -0.06 0.64 0.10 1.25 -0.67 0.00 0.00 178.83 180.08 1nsk h HIS 51 N 0.54 0.42 -0.60 2.96 2.76 -0.51 -2.75 115.15 117.96 1nsk h HIS 51 Ca 0.14 -0.01 -0.27 0.00 -2.20 0.00 0.00 60.37 58.02 1nsk h HIS 51 Cb 0.25 -0.13 -0.16 0.00 1.55 0.00 0.00 27.41 28.92 1nsk h HIS 51 CO 0.01 0.35 0.21 0.66 -1.30 0.00 0.00 177.93 177.87 1nsk n TYR 52 N -4.39 1.91 -0.25 5.26 4.01 0.08 -4.74 117.16 119.03 1nsk n TYR 52 Ca 0.01 -1.55 0.05 0.00 -0.16 0.00 0.00 57.90 56.26 1nsk n TYR 52 Cb 0.15 -0.65 0.18 0.00 -0.31 0.00 0.00 39.34 38.71 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 1.34 0.65 0.00 -0.72 2.04 -0.90 0.82 117.51 120.74 1nsk h ILE 53 Ca 0.34 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1nsk h ILE 53 Cb 2.13 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1nsk h ILE 53 CO 0.65 0.08 0.00 0.47 0.00 0.00 0.00 178.15 179.35 1nsk n ASP 54 N -5.02 0.00 -0.02 1.72 9.92 -1.26 -1.58 116.55 120.31 1nsk n ASP 54 Ca 0.14 0.39 0.01 0.00 -0.53 0.00 0.00 54.79 54.80 1nsk n ASP 54 Cb 0.41 -0.41 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 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 -1.41 1.82 0.20 0.64 4.77 0.25 -4.73 117.00 118.55 1nsk n LEU 55 Ca 0.01 -1.95 0.14 0.00 -0.03 0.00 0.00 56.01 54.19 1nsk n LEU 55 Cb 0.04 -0.06 0.71 0.00 -2.33 0.00 0.00 43.42 41.78 1nsk n LEU 55 CO 0.03 0.48 0.93 0.07 -1.33 0.00 0.00 177.39 177.57 1nsk h LYS 56 N 0.00 0.00 -0.40 3.23 2.10 -0.97 -0.70 116.57 119.84 1nsk h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nsk h LYS 56 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1nsk h LYS 56 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1nsk n ASP 57 N -2.51 3.21 -4.85 7.07 8.00 -1.26 -4.93 116.55 121.27 1nsk n ASP 57 Ca -0.01 -1.92 -0.36 0.00 0.71 0.00 0.00 54.79 53.21 1nsk n ASP 57 Cb 0.11 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.17 3.87 0.19 -1.24 3.00 -0.27 -5.01 118.95 118.32 1nsk s ARG 58 Ca 0.33 0.34 -0.26 0.00 0.00 0.00 0.00 55.73 56.14 1nsk s ARG 58 Cb 0.18 -3.03 0.05 0.00 0.00 0.00 0.00 34.95 32.16 1nsk s ARG 58 CO 0.25 0.57 1.55 -1.35 0.00 0.00 0.00 175.30 176.31 1nsk h PRO 59 N 3.90 -0.01 0.00 3.54 0.11 -1.92 -2.33 132.00 135.28 1nsk h PRO 59 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1nsk h PRO 59 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1nsk h PRO 59 CO 0.65 -0.01 -0.07 0.27 -0.21 0.00 0.00 178.00 178.64 1nsk h PHE 60 N -0.01 0.00 -0.74 0.65 -5.15 -1.95 -3.37 116.94 106.37 1nsk h PHE 60 Ca 0.23 0.00 0.09 0.00 -0.20 0.00 0.00 57.97 58.09 1nsk h PHE 60 Cb 0.49 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.55 1nsk h PHE 60 CO -0.96 0.07 -0.36 0.34 -2.00 0.00 0.00 178.31 175.39 1nsk n PHE 61 N -3.56 -0.15 -0.26 6.09 7.35 -0.88 0.01 117.46 126.06 1nsk n PHE 61 Ca -0.02 0.92 0.02 0.00 -0.76 0.00 0.00 57.45 57.61 1nsk n PHE 61 Cb 0.19 -0.67 0.15 0.00 0.35 0.00 0.00 39.48 39.50 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 0.65 -0.38 -7.13 0.11 -1.82 -0.89 132.00 122.55 1nsk h PRO 62 Ca 0.19 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1nsk h PRO 62 Cb 0.37 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1nsk h PRO 62 CO -0.72 0.43 0.01 0.78 -0.21 0.00 0.00 178.00 178.29 1nsk h GLY 63 N 0.67 0.72 0.88 -0.55 0.00 -0.70 -2.10 103.07 101.98 1nsk h GLY 63 Ca 0.37 -0.52 0.08 0.00 0.00 0.00 0.00 47.33 47.25 1nsk h GLY 63 CO -0.26 0.48 0.54 -2.00 0.00 0.00 0.00 176.54 175.31 1nsk h LEU 64 N 0.49 0.78 -0.12 3.11 5.85 -0.40 0.32 115.31 125.34 1nsk h LEU 64 Ca 0.11 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1nsk h LEU 64 Cb 0.46 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1nsk h LEU 64 CO 0.02 0.49 -0.25 0.58 -0.34 0.00 0.00 178.44 178.94 1nsk h VAL 65 N 0.88 1.38 -0.88 1.05 2.07 -0.96 -1.67 116.25 118.12 1nsk h VAL 65 Ca 0.37 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1nsk h VAL 65 Cb 0.29 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1nsk h VAL 65 CO -0.14 0.45 0.49 0.50 0.02 0.00 0.00 177.57 178.89 1nsk h LYS 66 N -0.04 1.22 0.50 1.57 1.63 -0.87 -2.87 116.57 117.71 1nsk h LYS 66 Ca 0.00 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.64 1nsk h LYS 66 Cb 0.85 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1nsk h LYS 66 CO 0.06 0.89 -0.31 -0.92 -3.45 0.00 0.00 179.45 175.72 1nsk h TYR 67 N 1.22 -0.81 0.00 1.91 5.03 -0.35 -2.29 116.97 121.68 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 0.02 0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1nsk h TYR 67 CO 0.01 -0.46 0.00 -1.33 -1.32 0.00 0.00 178.16 175.06 1nsk n MET 68 N -4.26 0.03 -0.00 1.82 2.81 -0.63 -0.79 117.12 116.09 1nsk n MET 68 Ca -0.09 0.49 0.10 0.00 -1.81 0.00 0.00 57.70 56.39 1nsk n MET 68 Cb 0.31 -1.59 -0.13 0.00 -0.71 0.00 0.00 33.22 31.10 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 -1.66 0.81 0.29 7.83 5.15 -1.09 -4.39 115.26 122.20 1nsk n ASN 69 Ca 0.00 -0.81 0.15 0.00 -0.60 0.00 0.00 54.58 53.33 1nsk n ASN 69 Cb 0.03 1.19 0.85 0.00 -0.53 0.00 0.00 39.78 41.33 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 -5.11 1.20 4.64 -0.38 -3.45 113.55 110.44 1nsk h SER 70 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1nsk h SER 70 Cb 0.60 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.60 1nsk h SER 70 CO 0.00 0.06 0.02 -0.83 -0.87 0.00 0.00 176.83 175.21 1nsk s GLY 71 N -4.16 0.08 0.64 -0.77 0.00 -1.26 -5.11 107.32 96.74 1nsk s GLY 71 Ca -0.04 -0.42 -0.16 0.00 0.00 0.00 0.00 44.72 44.10 1nsk s GLY 71 CO 0.55 -0.34 1.14 2.56 0.00 0.00 0.00 173.10 177.01 1nsk s PRO 72 N -3.92 2.84 0.30 2.90 0.04 -1.26 -4.61 135.00 131.29 1nsk s PRO 72 Ca 0.13 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1nsk s PRO 72 Cb -0.02 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1nsk s PRO 72 CO 0.02 -1.25 -0.07 0.14 0.04 0.00 0.00 177.00 175.88 1nsk s VAL 73 N -2.09 1.85 -0.29 -0.36 -7.23 0.17 -3.88 120.40 108.57 1nsk s VAL 73 Ca 0.70 -2.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1nsk s VAL 73 Cb -0.23 -2.51 0.05 0.00 0.56 0.00 0.00 36.38 34.25 1nsk s VAL 73 CO 0.38 -0.27 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.17 1nsk s VAL 74 N -2.88 2.73 -0.13 1.32 1.01 -0.60 -1.70 120.40 120.16 1nsk s VAL 74 Ca 0.30 -1.48 -0.13 0.00 0.00 0.00 0.00 61.98 60.68 1nsk s VAL 74 Cb 0.03 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1nsk s VAL 74 CO 0.13 -0.09 0.28 0.00 0.00 0.00 0.00 175.10 175.43 1nsk s ALA 75 N 1.20 3.66 0.12 5.51 0.00 0.06 -0.10 121.76 132.21 1nsk s ALA 75 Ca -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1nsk s ALA 75 Cb -0.20 -2.32 -0.03 0.00 0.00 0.00 0.00 23.12 20.57 1nsk s ALA 75 CO -0.02 0.24 0.09 -1.64 0.00 0.00 0.00 175.76 174.43 1nsk s MET 76 N -0.04 0.89 -0.09 0.00 -1.94 0.66 -0.90 119.30 117.89 1nsk s MET 76 Ca 0.17 -1.31 0.01 0.00 -1.71 0.00 0.00 55.69 52.85 1nsk s MET 76 Cb -0.13 0.27 0.02 0.00 2.01 0.00 0.00 34.83 36.99 1nsk s MET 76 CO 0.05 -0.26 -0.08 0.08 -0.01 0.00 0.00 175.02 174.81 1nsk s VAL 77 N -3.99 0.95 -0.10 -6.03 1.01 0.31 -1.12 120.40 111.43 1nsk s VAL 77 Ca 0.18 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.89 1nsk s VAL 77 Cb 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1nsk s VAL 77 CO -0.02 0.34 -0.19 0.26 0.00 0.00 0.00 175.10 175.49 1nsk s TRP 78 N 1.30 2.66 0.00 5.22 0.52 -0.28 -0.11 118.94 128.26 1nsk s TRP 78 Ca -0.03 -0.73 -0.00 0.00 0.02 0.00 0.00 56.10 55.35 1nsk s TRP 78 Cb -0.14 -1.74 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 1nsk s TRP 78 CO -0.03 -0.23 0.10 -2.00 0.02 0.00 0.00 176.95 174.80 1nsk s GLU 79 N 0.14 3.12 0.00 4.98 2.12 0.20 -0.53 118.70 128.73 1nsk s GLU 79 Ca -0.10 -0.47 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1nsk s GLU 79 Cb -0.16 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1nsk s GLU 79 CO 0.06 0.64 0.00 0.41 -0.54 0.00 0.00 175.26 175.83 1nsk n GLY 80 N 1.06 2.60 3.61 -1.50 0.00 -1.25 -1.62 105.19 108.09 1nsk n GLY 80 Ca -0.12 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 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 3.53 -1.01 0.99 2.96 -1.26 -2.26 118.68 121.63 1nsk s LEU 81 Ca 0.00 1.82 0.00 0.00 -0.22 0.00 0.00 54.13 55.73 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 -1.84 0.00 -3.20 -1.32 0.00 0.00 176.35 169.99 1nsk n ASN 82 N 11.07 -3.85 -0.31 3.68 2.85 -1.21 -4.92 115.26 122.57 1nsk n ASN 82 Ca 0.28 0.11 0.12 0.00 -0.11 0.00 0.00 54.58 54.98 1nsk n ASN 82 Cb 0.45 -2.76 0.27 0.00 1.24 0.00 0.00 39.78 38.98 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 0.19 0.17 3.44 2.07 -1.76 -1.34 116.25 119.02 1nsk h VAL 83 Ca -0.24 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1nsk h VAL 83 Cb 0.98 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1nsk h VAL 83 CO 0.31 0.02 -0.22 0.58 0.02 0.00 0.00 177.57 178.28 1nsk h VAL 84 N 0.09 0.52 0.26 2.57 2.07 -1.89 0.42 116.25 120.29 1nsk h VAL 84 Ca 0.55 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.06 1nsk h VAL 84 Cb 1.11 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1nsk h VAL 84 CO -0.77 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 177.19 1nsk h LYS 85 N -0.44 -0.33 -0.25 1.57 3.64 -1.61 -2.62 116.57 116.53 1nsk h LYS 85 Ca 0.01 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1nsk h LYS 85 Cb 0.43 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1nsk h LYS 85 CO -0.08 -0.05 -0.40 1.79 -2.27 0.00 0.00 179.45 178.44 1nsk h THR 86 N -0.62 1.30 -0.37 1.00 1.35 -1.39 -2.79 112.91 111.38 1nsk h THR 86 Ca -0.04 -1.57 0.06 0.00 -0.55 0.00 0.00 66.41 64.31 1nsk h THR 86 Cb 0.44 1.54 -0.05 0.00 -1.73 0.00 0.00 68.15 68.36 1nsk h THR 86 CO 0.06 0.50 0.08 1.23 -0.25 0.00 0.00 175.52 177.13 1nsk h GLY 87 N 1.04 0.44 1.60 5.82 0.00 -0.17 0.50 103.07 112.29 1nsk h GLY 87 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1nsk h GLY 87 CO 0.08 -0.03 -0.03 3.21 0.00 0.00 0.00 176.54 179.77 1nsk h ARG 88 N 0.20 0.50 -0.61 4.80 3.08 -1.40 -0.43 114.38 120.53 1nsk h ARG 88 Ca 0.18 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1nsk h ARG 88 Cb 0.21 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1nsk h ARG 88 CO -0.23 0.55 0.19 0.28 -1.07 0.00 0.00 179.97 179.69 1nsk h VAL 89 N 0.48 1.23 -0.25 2.04 2.07 -0.88 0.64 116.25 121.57 1nsk h VAL 89 Ca 0.10 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.69 1nsk h VAL 89 Cb 0.36 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1nsk h VAL 89 CO 0.01 0.31 -0.39 0.24 0.02 0.00 0.00 177.57 177.76 1nsk h MET 90 N 0.89 0.58 -0.21 1.57 2.86 -0.12 -3.04 114.93 117.46 1nsk h MET 90 Ca 0.20 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1nsk h MET 90 Cb 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1nsk h MET 90 CO -0.01 0.88 -0.38 -0.07 1.06 0.00 0.00 176.91 178.39 1nsk h LEU 91 N 0.48 0.51 0.00 1.22 4.07 -0.16 -1.28 115.31 120.14 1nsk h LEU 91 Ca 0.04 -0.21 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1nsk h LEU 91 Cb 0.89 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1nsk h LEU 91 CO 0.08 0.84 0.00 0.61 -1.08 0.00 0.00 178.44 178.89 1nsk n GLY 92 N -0.10 -3.34 3.76 0.83 0.00 0.13 -1.39 105.19 105.08 1nsk n GLY 92 Ca -0.01 -1.98 -0.37 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 -0.72 3.41 0.49 1.61 0.41 -1.26 -4.78 118.70 117.87 1nsk s GLU 93 Ca 0.00 1.91 0.17 0.00 -0.41 0.00 0.00 54.97 56.64 1nsk s GLU 93 Cb 0.00 -2.25 1.22 0.00 -1.78 0.00 0.00 34.13 31.31 1nsk s GLU 93 CO 0.00 -0.87 2.07 1.15 -0.49 0.00 0.00 175.26 177.11 1nsk h THR 94 N 1.53 0.92 -3.29 3.63 2.02 -1.95 -3.33 112.91 112.44 1nsk h THR 94 Ca -0.50 -0.05 -0.69 0.00 0.77 0.00 0.00 66.41 65.95 1nsk h THR 94 Cb 1.27 0.77 -0.18 0.00 -1.74 0.00 0.00 68.15 68.27 1nsk h THR 94 CO 0.58 0.03 0.02 0.21 0.37 0.00 0.00 175.52 176.73 1nsk s ASN 95 N -6.64 6.22 0.64 4.18 3.84 -1.26 -4.79 114.94 117.14 1nsk s ASN 95 Ca -0.06 -0.88 0.22 0.00 0.21 0.00 0.00 52.86 52.35 1nsk s ASN 95 Cb 0.18 -2.28 1.08 0.00 -0.55 0.00 0.00 41.25 39.68 1nsk s ASN 95 CO 0.71 -0.85 1.58 -0.65 -2.79 0.00 0.00 177.10 175.10 1nsk h PRO 96 N 8.96 0.00 0.00 0.43 0.11 -1.78 0.26 132.00 139.98 1nsk h PRO 96 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1nsk h PRO 96 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nsk h PRO 96 CO 0.95 0.00 -0.23 0.00 -0.21 0.00 0.00 178.00 178.50 1nsk h ALA 97 N 0.90 1.28 -0.01 -0.75 0.00 -1.90 -2.91 119.26 115.88 1nsk h ALA 97 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nsk h ALA 97 Cb 1.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1nsk h ALA 97 CO -0.00 0.29 -0.38 -0.25 0.00 0.00 0.00 179.25 178.91 1nsk n ASP 98 N -3.78 1.43 -4.70 0.00 8.00 0.90 -4.96 116.55 113.43 1nsk n ASP 98 Ca -0.01 -1.21 -0.42 0.00 0.71 0.00 0.00 54.79 53.85 1nsk n ASP 98 Cb 0.33 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.96 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 -1.93 6.90 0.31 -2.24 0.01 -1.10 -4.59 113.70 111.06 1nsk s SER 99 Ca 0.12 2.12 -0.27 0.00 1.31 0.00 0.00 55.95 59.22 1nsk s SER 99 Cb 0.12 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.69 1nsk s SER 99 CO 0.42 -0.65 0.96 -0.54 0.41 0.00 0.00 173.24 173.84 1nsk s LYS 100 N 1.90 4.62 0.25 12.44 -0.14 -1.26 -4.43 119.74 133.12 1nsk s LYS 100 Ca 0.62 1.40 -0.30 0.00 -1.36 0.00 0.00 55.97 56.33 1nsk s LYS 100 Cb -0.32 -2.90 -0.14 0.00 -1.68 0.00 0.00 37.83 32.80 1nsk s LYS 100 CO 0.27 0.30 1.30 -2.30 -0.76 0.00 0.00 175.35 174.16 1nsk n PRO 101 N 0.74 1.83 0.00 -1.68 -0.02 -1.26 -1.58 135.00 133.03 1nsk n PRO 101 Ca 0.01 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1nsk n PRO 101 Cb 0.49 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.78 1.56 3.94 -1.23 0.00 -1.26 -4.99 105.19 104.98 1nsk n GLY 102 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.70 5.10 0.13 2.61 -4.23 -0.61 -4.92 115.64 112.02 1nsk s THR 103 Ca 0.00 -0.40 -0.26 0.00 -1.18 0.00 0.00 61.69 59.84 1nsk s THR 103 Cb 0.00 -3.85 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 1nsk s THR 103 CO 0.00 -0.53 1.61 0.40 -0.54 0.00 0.00 174.62 175.56 1nsk h ILE 104 N 0.83 0.29 -0.43 2.99 2.04 -1.33 0.29 117.51 122.20 1nsk h ILE 104 Ca -0.49 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.25 1nsk h ILE 104 Cb 1.21 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1nsk h ILE 104 CO 0.62 0.00 -0.20 0.03 0.00 0.00 0.00 178.15 178.60 1nsk h ARG 105 N -0.42 0.85 0.00 2.37 3.08 -1.48 -1.10 114.38 117.69 1nsk h ARG 105 Ca 0.08 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1nsk h ARG 105 Cb 0.55 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1nsk h ARG 105 CO -0.33 0.98 -0.15 0.78 -1.07 0.00 0.00 179.97 180.18 1nsk h GLY 106 N 0.94 0.00 0.48 0.04 0.00 -1.57 -1.71 103.07 101.25 1nsk h GLY 106 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.09 1nsk h GLY 106 CO 0.06 0.00 -2.08 1.22 0.00 0.00 0.00 176.54 175.74 1nsk n ASP 107 N -3.62 0.99 -0.05 0.19 8.00 0.96 -4.49 116.55 118.52 1nsk n ASP 107 Ca -0.01 0.17 0.03 0.00 0.71 0.00 0.00 54.79 55.69 1nsk n ASP 107 Cb 0.28 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -3.06 0.00 -4.25 1.24 3.72 -0.43 -5.08 117.46 109.59 1nsk n PHE 108 Ca -0.29 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.97 1nsk n PHE 108 Cb 1.08 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.51 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 -0.33 0.25 -3.86 0.00 5.41 -1.26 -4.76 119.36 114.80 1nsk n ILE 110 Ca -0.01 0.08 -0.33 0.00 1.00 0.00 0.00 62.75 63.49 1nsk n ILE 110 Cb 0.65 -1.43 -0.05 0.00 -0.71 0.00 0.00 39.64 38.10 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 -2.00 3.48 0.36 0.38 0.74 -1.26 -3.90 119.66 117.45 1nsk s GLN 111 Ca 0.00 -0.28 0.04 0.00 0.05 0.00 0.00 55.36 55.17 1nsk s GLN 111 Cb 0.00 -3.06 0.68 0.00 1.10 0.00 0.00 33.01 31.73 1nsk s GLN 111 CO 0.00 0.64 1.96 0.28 -0.55 0.00 0.00 175.29 177.62 1nsk h VAL 112 N 2.62 1.16 -0.71 1.34 2.07 -1.95 -1.52 116.25 119.27 1nsk h VAL 112 Ca -0.48 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1nsk h VAL 112 Cb 1.18 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1nsk h VAL 112 CO 0.70 0.19 0.42 1.23 0.02 0.00 0.00 177.57 180.13 1nsk h GLY 113 N 0.76 1.04 -6.46 2.17 0.00 -1.94 -3.15 103.07 95.49 1nsk h GLY 113 Ca 0.15 -0.30 -0.67 0.00 0.00 0.00 0.00 47.33 46.51 1nsk h GLY 113 CO -0.02 0.20 -0.11 0.54 0.00 0.00 0.00 176.54 177.16 1nsk n ARG 114 N -4.73 3.21 -0.87 4.80 5.12 -0.59 -4.88 116.66 118.72 1nsk n ARG 114 Ca 0.09 -4.63 -0.15 0.00 -1.93 0.00 0.00 57.85 51.23 1nsk n ARG 114 Cb 0.16 -2.35 0.15 0.00 -1.16 0.00 0.00 32.46 29.26 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 1.03 3.66 0.00 0.55 6.94 -1.12 -4.42 115.26 121.90 1nsk n ASN 115 Ca 0.28 -3.11 0.00 0.00 -0.02 0.00 0.00 54.58 51.73 1nsk n ASN 115 Cb 0.38 -0.73 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 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 -0.56 0.00 -3.71 1.53 -5.35 -1.26 -4.78 119.36 105.23 1nsk n ILE 116 Ca 0.41 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.79 1nsk n ILE 116 Cb 1.31 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.16 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 0.00 0.06 -0.01 7.28 2.07 -1.26 -1.06 121.20 128.27 1nsk s ILE 117 Ca 0.00 -0.75 0.02 0.00 -1.41 0.00 0.00 60.65 58.51 1nsk s ILE 117 Cb 0.00 -1.36 -0.00 0.00 0.13 0.00 0.00 42.46 41.23 1nsk s ILE 117 CO 0.00 -0.28 -0.07 -2.28 -1.91 0.00 0.00 174.94 170.40 1nsk s HIS 118 N -3.84 0.72 0.02 3.50 5.65 0.60 -4.89 115.29 117.05 1nsk s HIS 118 Ca 0.06 -0.15 0.03 0.00 0.25 0.00 0.00 55.06 55.26 1nsk s HIS 118 Cb 0.01 -0.49 -0.02 0.00 -1.18 0.00 0.00 32.58 30.90 1nsk s HIS 118 CO -0.08 -0.05 -0.10 0.20 -0.65 0.00 0.00 174.74 174.06 1nsk s GLY 119 N 0.02 0.57 0.36 1.59 0.00 -1.26 -0.75 107.32 107.85 1nsk s GLY 119 Ca 0.00 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.81 1nsk s GLY 119 CO -0.00 -0.61 1.47 -0.56 0.00 0.00 0.00 173.10 173.40 1nsk s SER 120 N -0.88 6.42 0.38 1.64 0.01 -0.97 -4.92 113.70 115.37 1nsk s SER 120 Ca -0.01 2.98 0.24 0.00 1.31 0.00 0.00 55.95 60.48 1nsk s SER 120 Cb -0.06 -2.66 0.54 0.00 0.21 0.00 0.00 66.02 64.04 1nsk s SER 120 CO 0.00 -0.82 1.68 -2.24 0.41 0.00 0.00 173.24 172.27 1nsk h ASP 121 N 3.22 0.00 -4.96 2.44 2.03 -1.94 -3.46 116.42 113.75 1nsk h ASP 121 Ca -0.50 0.00 0.04 0.00 -0.73 0.00 0.00 57.03 55.84 1nsk h ASP 121 Cb 1.24 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.63 1nsk h ASP 121 CO 0.66 0.00 0.29 -0.94 -1.03 0.00 0.00 179.24 178.22 1nsk s SER 122 N -5.67 -0.43 0.36 4.15 1.04 -1.26 -4.95 113.70 106.94 1nsk s SER 122 Ca 0.08 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.37 1nsk s SER 122 Cb 0.07 0.58 0.68 0.00 0.10 0.00 0.00 66.02 67.46 1nsk s SER 122 CO 0.64 -0.98 2.01 -0.37 0.98 0.00 0.00 173.24 175.52 1nsk h VAL 123 N 2.00 1.15 -0.25 5.02 -1.51 -1.91 0.60 116.25 121.35 1nsk h VAL 123 Ca -0.28 -0.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.87 1nsk h VAL 123 Cb 1.28 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 1nsk h VAL 123 CO 0.32 0.15 0.07 0.50 -1.23 0.00 0.00 177.57 177.38 1nsk h LYS 124 N 0.78 0.39 -0.42 5.19 3.64 -1.98 -1.87 116.57 122.30 1nsk h LYS 124 Ca 0.21 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1nsk h LYS 124 Cb -0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1nsk h LYS 124 CO -0.04 0.48 -0.05 0.77 -2.27 0.00 0.00 179.45 178.33 1nsk h SER 125 N 0.24 0.78 -0.21 4.20 0.02 -1.75 -2.80 113.55 114.02 1nsk h SER 125 Ca 0.08 -0.34 0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1nsk h SER 125 Cb 0.25 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 1nsk h SER 125 CO -0.00 0.93 -0.26 0.00 -1.14 0.00 0.00 176.83 176.36 1nsk h ALA 126 N 0.87 -0.19 -0.49 3.77 0.00 0.43 0.13 119.26 123.78 1nsk h ALA 126 Ca 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1nsk h ALA 126 Cb 0.56 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1nsk h ALA 126 CO 0.03 -0.70 0.15 0.93 0.00 0.00 0.00 179.25 179.66 1nsk h GLU 127 N -0.29 0.72 0.86 0.00 4.39 -1.33 0.62 114.58 119.56 1nsk h GLU 127 Ca 0.13 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1nsk h GLU 127 Cb 0.48 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1nsk h GLU 127 CO -0.38 0.63 -0.42 0.87 -1.16 0.00 0.00 179.01 178.55 1nsk h LYS 128 N 0.71 -1.12 -0.66 2.33 1.57 -0.92 -1.91 116.57 116.56 1nsk h LYS 128 Ca 0.16 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1nsk h LYS 128 Cb 0.21 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.71 1nsk h LYS 128 CO -0.01 -0.74 0.34 0.93 -0.57 0.00 0.00 179.45 179.40 1nsk h GLU 129 N -1.21 0.59 -0.98 3.15 5.08 -0.60 -0.12 114.58 120.49 1nsk h GLU 129 Ca -0.12 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1nsk h GLU 129 Cb 0.89 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1nsk h GLU 129 CO 0.19 0.39 0.63 0.82 -1.00 0.00 0.00 179.01 180.05 1nsk h ILE 130 N 0.60 1.11 -0.31 3.13 2.04 -0.79 0.30 117.51 123.59 1nsk h ILE 130 Ca 0.31 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.59 1nsk h ILE 130 Cb 0.27 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1nsk h ILE 130 CO -0.23 0.21 -0.52 0.28 0.00 0.00 0.00 178.15 177.90 1nsk h SER 131 N 1.18 0.99 -0.31 1.72 0.02 -0.48 0.19 113.55 116.87 1nsk h SER 131 Ca 0.41 -0.52 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 1nsk h SER 131 Cb 0.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 1nsk h SER 131 CO -0.16 1.32 -0.15 0.25 -1.14 0.00 0.00 176.83 176.95 1nsk h LEU 132 N 0.70 0.75 0.00 5.07 7.12 -0.05 -3.32 115.31 125.58 1nsk h LEU 132 Ca 0.02 -0.24 -0.31 0.00 0.13 0.00 0.00 57.88 57.48 1nsk h LEU 132 Cb 1.13 -0.20 -0.06 0.00 -0.53 0.00 0.00 40.66 41.00 1nsk h LEU 132 CO 0.12 0.91 -2.08 0.79 -0.13 0.00 0.00 178.44 178.04 1nsk n TRP 133 N -4.15 0.39 -4.42 1.25 7.02 0.97 -4.99 117.44 113.52 1nsk n TRP 133 Ca 0.01 0.14 -0.26 0.00 -1.02 0.00 0.00 57.50 56.36 1nsk n TRP 133 Cb 0.38 -1.04 -0.11 0.00 -2.42 0.00 0.00 31.31 28.12 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 -2.61 2.34 -0.01 -5.99 0.40 0.67 -5.07 117.98 107.70 1nsk s PHE 134 Ca -0.08 -0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 1nsk s PHE 134 Cb 0.07 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 1nsk s PHE 134 CO 0.83 0.54 0.31 0.15 0.70 0.00 0.00 175.22 177.75 1nsk s LYS 135 N -2.83 3.70 0.28 0.44 1.02 -1.26 -4.47 119.74 116.61 1nsk s LYS 135 Ca 0.23 0.13 0.01 0.00 0.02 0.00 0.00 55.97 56.35 1nsk s LYS 135 Cb -0.07 -3.14 0.68 0.00 -0.52 0.00 0.00 37.83 34.77 1nsk s LYS 135 CO 0.11 0.68 1.64 -1.00 -0.92 0.00 0.00 175.35 175.86 1nsk h PRO 136 N 4.43 0.18 0.00 -1.68 0.13 -1.93 0.25 132.00 133.37 1nsk h PRO 136 Ca -0.52 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1nsk h PRO 136 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nsk h PRO 136 CO 0.63 0.12 0.00 -1.91 -0.23 0.00 0.00 178.00 176.60 1nsk n GLU 137 N -5.25 0.19 0.08 0.86 2.13 -1.26 -1.53 120.64 115.85 1nsk n GLU 137 Ca 0.20 0.14 0.08 0.00 0.66 0.00 0.00 57.16 58.24 1nsk n GLU 137 Cb 0.66 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.84 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 -1.22 0.61 -2.57 5.31 1.02 0.87 -4.73 120.64 119.93 1nsk n GLU 138 Ca 0.06 0.16 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1nsk n GLU 138 Cb 0.07 -1.82 -0.03 0.00 -0.02 0.00 0.00 31.44 29.64 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 -5.50 3.37 0.11 -4.62 1.43 -0.58 -4.60 118.68 108.29 1nsk s LEU 139 Ca -0.01 -0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 1nsk s LEU 139 Cb 0.09 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 1nsk s LEU 139 CO 0.80 -1.58 0.94 -0.69 0.23 0.00 0.00 176.35 176.05 1nsk s VAL 140 N 5.17 4.51 -0.26 -1.59 1.01 0.01 -5.00 120.40 124.24 1nsk s VAL 140 Ca 0.41 2.02 -0.02 0.00 0.00 0.00 0.00 61.98 64.39 1nsk s VAL 140 Cb -0.08 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.03 1nsk s VAL 140 CO 0.23 0.33 -0.03 -1.81 0.00 0.00 0.00 175.10 173.81 1nsk s ASP 141 N -0.06 4.49 0.32 3.32 1.01 -1.26 -4.68 116.67 119.80 1nsk s ASP 141 Ca 0.46 -0.88 -0.02 0.00 0.71 0.00 0.00 52.55 52.82 1nsk s ASP 141 Cb -0.23 -1.70 -0.01 0.00 1.01 0.00 0.00 42.92 41.99 1nsk s ASP 141 CO 0.29 -0.15 0.40 -0.72 0.21 0.00 0.00 175.17 175.21 1nsk s TYR 142 N 1.35 1.12 -0.14 4.23 1.13 -1.26 -5.16 117.35 118.62 1nsk s TYR 142 Ca 0.00 -1.31 0.01 0.00 -1.41 0.00 0.00 57.07 54.37 1nsk s TYR 142 Cb -0.17 -0.22 0.02 0.00 -1.10 0.00 0.00 41.96 40.49 1nsk s TYR 142 CO -0.03 -1.02 -0.17 0.21 -2.51 0.00 0.00 175.55 172.03 1nsk s LYS 143 N -3.34 2.55 0.21 -3.49 2.20 -1.26 -5.10 119.74 111.51 1nsk s LYS 143 Ca 0.32 -0.67 -0.32 0.00 -0.36 0.00 0.00 55.97 54.95 1nsk s LYS 143 Cb 0.01 -2.19 -0.11 0.00 -1.51 0.00 0.00 37.83 34.03 1nsk s LYS 143 CO 0.19 -0.12 1.65 -1.54 -0.36 0.00 0.00 175.35 175.17 1nsk s SER 144 N 1.13 6.45 0.63 1.43 1.04 -1.26 -4.89 113.70 118.24 1nsk s SER 144 Ca -0.02 2.79 0.38 0.00 0.48 0.00 0.00 55.95 59.58 1nsk s SER 144 Cb -0.14 -2.60 2.14 0.00 0.10 0.00 0.00 66.02 65.51 1nsk s SER 144 CO -0.06 -0.91 2.31 0.00 0.98 0.00 0.00 173.24 175.56 1nsk n ALA 146 N -2.19 3.34 -0.19 0.00 0.00 -1.26 -4.67 120.51 115.55 1nsk n ALA 146 Ca -0.03 -1.95 -0.01 0.00 0.00 0.00 0.00 53.44 51.45 1nsk n ALA 146 Cb 0.09 -0.92 0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 3.15 0.32 0.00 0.00 6.17 -1.57 0.08 115.15 123.30 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 1.63 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 31.51 1nsk h HIS 147 CO 0.78 0.06 0.00 -0.25 0.71 0.00 0.00 177.93 179.24 1nsk n ASP 148 N -5.04 0.17 0.00 3.26 8.00 -1.26 -0.88 116.55 120.80 1nsk n ASP 148 Ca 0.08 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.22 1nsk n ASP 148 Cb 0.26 -0.58 -0.06 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.69 0.00 -0.10 1.24 7.02 -0.05 -4.09 117.44 119.79 1nsk n TRP 149 Ca 0.03 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.41 1nsk n TRP 149 Cb 0.18 -0.05 -0.15 0.00 -2.42 0.00 0.00 31.31 28.87 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 -1.50 1.32 -0.16 -0.99 0.31 -0.70 -5.13 118.33 111.47 1nsk n VAL 150 Ca 0.04 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 1nsk n VAL 150 Cb 0.33 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 1nsk n VAL 150 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29