#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1npk n ASN 7 N 0.00 2.36 -0.82 6.55 5.03 -1.26 -3.69 115.26 123.43 1npk n ASN 7 Ca 0.00 -1.85 0.07 0.00 0.87 0.00 0.00 54.58 53.68 1npk n ASN 7 Cb 0.00 -0.18 0.20 0.00 -1.02 0.00 0.00 39.78 38.78 1npk n ASN 7 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1npk n LYS 8 N 0.78 2.87 -1.74 3.52 5.02 -1.26 -3.75 118.16 123.60 1npk n LYS 8 Ca 0.17 -2.23 -0.42 0.00 -2.02 0.00 0.00 58.31 53.81 1npk n LYS 8 Cb 0.43 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1npk n LYS 8 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1npk n GLU 9 N 0.74 2.48 -4.71 1.97 2.13 -1.24 -4.78 120.64 117.23 1npk n GLU 9 Ca 0.15 0.88 -0.28 0.00 0.66 0.00 0.00 57.16 58.57 1npk n GLU 9 Cb 0.49 -2.58 -0.14 0.00 0.27 0.00 0.00 31.44 29.48 1npk n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1npk s ARG 10 N -1.35 1.55 0.15 5.31 0.52 -1.26 -0.38 118.95 123.49 1npk s ARG 10 Ca 0.59 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 54.80 1npk s ARG 10 Cb -0.52 -1.74 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1npk s ARG 10 CO 0.57 0.44 -0.15 -0.08 0.02 0.00 0.00 175.30 176.10 1npk s THR 11 N -0.85 1.52 -0.22 0.02 -1.32 -0.32 -4.71 115.64 109.76 1npk s THR 11 Ca 0.10 -1.86 -0.10 0.00 -1.21 0.00 0.00 61.69 58.62 1npk s THR 11 Cb -0.09 -1.71 -0.05 0.00 -1.51 0.00 0.00 72.50 69.14 1npk s THR 11 CO 0.02 -0.43 0.14 0.12 -2.21 0.00 0.00 174.62 172.27 1npk s PHE 12 N -2.28 3.35 0.03 9.09 5.36 -1.26 -1.83 117.98 130.43 1npk s PHE 12 Ca 0.13 0.25 0.07 0.00 -0.96 0.00 0.00 56.93 56.42 1npk s PHE 12 Cb -0.04 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1npk s PHE 12 CO 0.04 0.16 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.25 1npk s LEU 13 N 0.75 2.13 -0.08 6.12 1.43 -0.35 -1.37 118.68 127.31 1npk s LEU 13 Ca 0.07 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1npk s LEU 13 Cb -0.12 -0.97 0.03 0.00 0.03 0.00 0.00 46.19 45.16 1npk s LEU 13 CO 0.02 0.18 -0.02 0.00 0.23 0.00 0.00 176.35 176.75 1npk s ALA 14 N -0.70 0.83 -0.36 4.21 0.00 -0.15 0.14 121.76 125.73 1npk s ALA 14 Ca 0.07 -0.20 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 1npk s ALA 14 Cb -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1npk s ALA 14 CO 0.01 -0.39 1.30 0.08 0.00 0.00 0.00 175.76 176.76 1npk s VAL 15 N 1.77 4.10 0.99 0.00 1.01 0.68 0.09 120.40 129.04 1npk s VAL 15 Ca 0.03 1.19 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 1npk s VAL 15 Cb -0.13 -4.24 0.18 0.00 0.00 0.00 0.00 36.38 32.20 1npk s VAL 15 CO -0.05 -0.62 1.17 -0.54 0.00 0.00 0.00 175.10 175.06 1npk s LYS 16 N 4.40 0.51 0.60 2.72 1.02 0.15 -2.41 119.74 126.74 1npk s LYS 16 Ca 0.56 0.06 0.38 0.00 0.02 0.00 0.00 55.97 56.99 1npk s LYS 16 Cb -0.14 -1.79 1.82 0.00 -0.52 0.00 0.00 37.83 37.20 1npk s LYS 16 CO 0.27 -2.58 2.16 -1.35 -0.92 0.00 0.00 175.35 172.92 1npk h PRO 17 N -1.77 0.00 -0.16 -1.68 0.11 -1.84 -0.76 132.00 125.90 1npk h PRO 17 Ca -0.48 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.46 1npk h PRO 17 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 1npk h PRO 17 CO 0.51 0.01 -0.60 0.38 -0.21 0.00 0.00 178.00 178.09 1npk h ASP 18 N 0.00 0.59 0.34 -2.05 2.03 -1.88 -0.56 116.42 114.89 1npk h ASP 18 Ca -0.00 -0.33 -0.18 0.00 -0.73 0.00 0.00 57.03 55.79 1npk h ASP 18 Cb 0.29 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1npk h ASP 18 CO 0.00 1.05 -0.72 1.23 -1.03 0.00 0.00 179.24 179.78 1npk h GLY 19 N 1.10 0.36 0.94 7.15 0.00 -1.29 -0.95 103.07 110.37 1npk h GLY 19 Ca -0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 1npk h GLY 19 CO 0.11 0.45 -0.32 -2.08 0.00 0.00 0.00 176.54 174.69 1npk h VAL 20 N 0.22 1.32 -0.10 4.60 2.07 -1.27 -1.80 116.25 121.28 1npk h VAL 20 Ca -0.03 -1.52 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 1npk h VAL 20 Cb 1.28 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1npk h VAL 20 CO 0.12 0.48 -0.23 0.00 0.02 0.00 0.00 177.57 177.95 1npk h ALA 21 N 0.65 1.42 -0.16 1.67 0.00 -0.95 -2.25 119.26 119.64 1npk h ALA 21 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1npk h ALA 21 Cb 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1npk h ALA 21 CO 0.08 0.41 0.00 0.54 0.00 0.00 0.00 179.25 180.27 1npk n ARG 22 N -4.20 1.49 -3.04 0.00 1.74 -0.37 -4.93 116.66 107.35 1npk n ARG 22 Ca -0.01 -0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 56.19 1npk n ARG 22 Cb 0.33 -1.28 0.04 0.00 -1.02 0.00 0.00 32.46 30.53 1npk n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1npk n GLY 23 N 0.95 0.13 0.75 -0.13 0.00 -0.85 -4.95 105.19 101.09 1npk n GLY 23 Ca 0.12 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1npk n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1npk n LEU 24 N -2.87 2.99 -0.05 0.99 4.77 -0.69 -4.66 117.00 117.49 1npk n LEU 24 Ca -0.00 -1.85 -0.11 0.00 -0.03 0.00 0.00 56.01 54.01 1npk n LEU 24 Cb 0.54 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 1npk n LEU 24 CO 0.34 0.73 0.77 0.58 -1.33 0.00 0.00 177.39 178.48 1npk h VAL 25 N 2.52 1.23 -0.13 4.08 2.07 -1.88 -1.57 116.25 122.57 1npk h VAL 25 Ca 0.00 -0.75 -0.16 0.00 0.82 0.00 0.00 66.70 66.61 1npk h VAL 25 Cb 0.75 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1npk h VAL 25 CO 0.00 0.23 -0.60 1.23 0.02 0.00 0.00 177.57 178.45 1npk h GLY 26 N 0.05 0.46 1.04 2.17 0.00 -1.97 -1.07 103.07 103.76 1npk h GLY 26 Ca 0.05 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1npk h GLY 26 CO 0.00 0.51 0.42 -2.09 0.00 0.00 0.00 176.54 175.38 1npk h GLU 27 N 0.31 1.24 -0.05 4.80 4.57 -1.82 0.16 114.58 123.79 1npk h GLU 27 Ca -0.00 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1npk h GLU 27 Cb 1.13 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1npk h GLU 27 CO 0.10 0.94 -0.16 0.82 -1.18 0.00 0.00 179.01 179.54 1npk h ILE 28 N 1.23 1.44 -0.90 2.32 2.04 -0.99 -2.30 117.51 120.35 1npk h ILE 28 Ca 0.30 -1.55 0.03 0.00 1.00 0.00 0.00 64.86 64.64 1npk h ILE 28 Cb 0.11 2.31 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 1npk h ILE 28 CO -0.04 0.43 0.58 0.40 0.00 0.00 0.00 178.15 179.52 1npk h ILE 29 N -0.32 1.16 -0.78 -0.67 2.04 -1.10 -2.57 117.51 115.28 1npk h ILE 29 Ca -0.00 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1npk h ILE 29 Cb 0.78 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1npk h ILE 29 CO 0.03 0.21 0.51 0.00 0.00 0.00 0.00 178.15 178.90 1npk h ALA 30 N 1.36 1.43 -0.74 1.87 0.00 -0.84 -0.48 119.26 121.86 1npk h ALA 30 Ca 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1npk h ALA 30 Cb -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1npk h ALA 30 CO -0.11 0.52 0.44 0.00 0.00 0.00 0.00 179.25 180.10 1npk h ARG 31 N 1.06 1.01 0.14 0.00 3.08 -1.00 -0.49 114.38 118.18 1npk h ARG 31 Ca 0.28 -0.09 -0.29 0.00 0.07 0.00 0.00 59.98 59.96 1npk h ARG 31 Cb -0.11 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 29.74 1npk h ARG 31 CO -0.06 0.71 -1.31 1.88 -1.07 0.00 0.00 179.97 180.12 1npk h TYR 32 N 1.02 0.53 -0.78 3.04 0.05 -1.28 -2.66 116.97 116.89 1npk h TYR 32 Ca 0.27 -0.39 -0.05 0.00 0.05 0.00 0.00 58.73 58.61 1npk h TYR 32 Cb -0.03 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1npk h TYR 32 CO 0.00 1.32 0.30 0.93 -1.05 0.00 0.00 178.16 179.67 1npk h GLU 33 N 0.08 1.18 -0.56 4.88 5.08 -0.94 -2.62 114.58 121.68 1npk h GLU 33 Ca -0.16 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1npk h GLU 33 Cb 2.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 31.04 1npk h GLU 33 CO 0.20 0.96 0.15 0.87 -1.00 0.00 0.00 179.01 180.20 1npk h LYS 34 N 1.14 0.88 -0.16 2.33 1.57 -1.08 -1.53 116.57 119.73 1npk h LYS 34 Ca 0.26 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1npk h LYS 34 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1npk h LYS 34 CO -0.02 0.81 0.14 -0.22 -0.57 0.00 0.00 179.45 179.60 1npk h LYS 35 N 0.79 0.00 0.00 3.15 1.63 -1.32 -3.47 116.57 117.35 1npk h LYS 35 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1npk h LYS 35 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1npk h LYS 35 CO -0.00 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.41 1npk n GLY 36 N -1.45 0.99 3.78 5.01 0.00 -0.58 -5.10 105.19 107.85 1npk n GLY 36 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1npk n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1npk s PHE 37 N -2.00 3.49 -0.23 1.61 0.08 -1.01 -4.87 117.98 115.05 1npk s PHE 37 Ca 0.00 1.71 -0.11 0.00 0.12 0.00 0.00 56.93 58.65 1npk s PHE 37 Cb 0.00 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 1npk s PHE 37 CO 0.00 -0.23 0.18 0.08 -0.10 0.00 0.00 175.22 175.16 1npk s VAL 38 N -1.61 5.35 -0.04 -0.44 1.01 0.22 -4.41 120.40 120.47 1npk s VAL 38 Ca 0.53 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1npk s VAL 38 Cb -0.21 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1npk s VAL 38 CO 0.26 0.35 1.58 -0.22 0.00 0.00 0.00 175.10 177.07 1npk s LEU 39 N 0.96 4.31 0.00 3.92 2.96 -1.26 -0.67 118.68 128.89 1npk s LEU 39 Ca 0.09 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 1npk s LEU 39 Cb -0.13 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.02 1npk s LEU 39 CO 0.04 -0.87 0.00 0.52 -1.32 0.00 0.00 176.35 174.72 1npk n VAL 40 N 5.24 0.00 -3.59 1.68 0.31 -0.06 -4.93 118.33 116.99 1npk n VAL 40 Ca 0.16 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.27 1npk n VAL 40 Cb 0.43 0.55 -0.07 0.00 -0.91 0.00 0.00 33.84 33.84 1npk n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1npk s GLY 41 N -1.80 -0.50 -0.29 2.92 0.00 -1.05 -0.92 107.32 105.67 1npk s GLY 41 Ca 0.00 1.36 -0.14 0.00 0.00 0.00 0.00 44.72 45.95 1npk s GLY 41 CO 0.00 1.05 0.77 -2.27 0.00 0.00 0.00 173.10 172.65 1npk s LEU 42 N -0.75 -0.90 -0.07 0.66 2.96 -1.26 -0.96 118.68 118.36 1npk s LEU 42 Ca -0.08 1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.86 1npk s LEU 42 Cb -0.02 2.15 0.07 0.00 0.50 0.00 0.00 46.19 48.88 1npk s LEU 42 CO 0.07 -0.19 0.65 -1.59 -1.32 0.00 0.00 176.35 173.96 1npk s LYS 43 N 2.20 1.00 0.02 1.98 -2.85 -0.71 -5.03 119.74 116.35 1npk s LYS 43 Ca -0.07 0.29 -0.17 0.00 -1.00 0.00 0.00 55.97 55.02 1npk s LYS 43 Cb -0.08 0.47 -0.06 0.00 -2.06 0.00 0.00 37.83 36.10 1npk s LYS 43 CO -0.18 -0.29 0.49 -1.14 0.10 0.00 0.00 175.35 174.32 1npk s GLN 44 N -1.04 4.09 0.08 1.78 0.74 -1.26 -1.12 119.66 122.93 1npk s GLN 44 Ca -0.10 0.56 -0.16 0.00 0.05 0.00 0.00 55.36 55.71 1npk s GLN 44 Cb -0.01 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.88 1npk s GLN 44 CO 0.08 0.61 0.39 -0.48 -0.55 0.00 0.00 175.29 175.34 1npk s LEU 45 N -0.90 0.49 -0.48 3.68 2.34 0.23 -4.96 118.68 119.09 1npk s LEU 45 Ca 0.26 -0.20 -0.16 0.00 0.06 0.00 0.00 54.13 54.09 1npk s LEU 45 Cb -0.18 1.72 0.07 0.00 -0.56 0.00 0.00 46.19 47.24 1npk s LEU 45 CO 0.16 -0.75 0.45 -0.69 -1.06 0.00 0.00 176.35 174.46 1npk s VAL 46 N -3.19 5.14 0.27 1.48 1.01 -1.26 0.89 120.40 124.75 1npk s VAL 46 Ca -0.01 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1npk s VAL 46 Cb 0.01 -4.17 -0.14 0.00 0.00 0.00 0.00 36.38 32.08 1npk s VAL 46 CO -0.07 -0.64 1.18 -2.65 0.00 0.00 0.00 175.10 172.92 1npk n PRO 47 N 5.45 1.63 -1.92 2.72 -0.02 -1.26 -5.01 135.00 136.58 1npk n PRO 47 Ca -0.11 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.66 1npk n PRO 47 Cb 0.44 -2.08 0.09 0.00 -0.02 0.00 0.00 33.50 31.93 1npk n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1npk s THR 48 N -0.69 2.13 0.20 3.45 -4.23 -1.26 -4.54 115.64 110.70 1npk s THR 48 Ca 0.63 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 61.04 1npk s THR 48 Cb -0.69 -3.04 0.14 0.00 1.34 0.00 0.00 72.50 70.26 1npk s THR 48 CO 0.57 -0.05 1.87 0.50 -0.54 0.00 0.00 174.62 176.97 1npk h LYS 49 N -0.99 0.91 -0.02 3.99 3.64 -1.95 -1.51 116.57 120.63 1npk h LYS 49 Ca -0.46 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1npk h LYS 49 Cb 1.32 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1npk h LYS 49 CO 0.65 0.60 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.96 1npk h ASP 50 N 0.94 -0.10 -0.45 4.20 3.32 -1.99 -0.35 116.42 121.98 1npk h ASP 50 Ca 0.27 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 1npk h ASP 50 Cb -0.08 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1npk h ASP 50 CO -0.07 -0.05 0.20 0.25 -1.72 0.00 0.00 179.24 177.85 1npk h LEU 51 N -0.05 0.61 -0.46 1.55 5.85 -1.87 -1.41 115.31 119.52 1npk h LEU 51 Ca 0.02 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1npk h LEU 51 Cb 0.08 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1npk h LEU 51 CO -0.05 0.59 0.23 0.00 -0.34 0.00 0.00 178.44 178.87 1npk h ALA 52 N 1.04 0.58 -0.08 1.25 0.00 -0.87 0.48 119.26 121.66 1npk h ALA 52 Ca 0.15 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1npk h ALA 52 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1npk h ALA 52 CO -0.02 -0.12 -0.49 0.93 0.00 0.00 0.00 179.25 179.55 1npk h GLU 53 N 0.46 0.21 -0.39 0.00 5.08 -0.90 0.41 114.58 119.46 1npk h GLU 53 Ca 0.20 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1npk h GLU 53 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1npk h GLU 53 CO -0.14 0.66 -0.37 1.03 -1.00 0.00 0.00 179.01 179.19 1npk h SER 54 N 0.17 0.99 -0.36 1.42 0.87 -0.92 -1.13 113.55 114.59 1npk h SER 54 Ca 0.01 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 1npk h SER 54 Cb 0.93 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1npk h SER 54 CO 0.07 1.25 0.19 -0.74 -0.53 0.00 0.00 176.83 177.08 1npk h HIS 55 N 0.75 0.49 -0.72 2.24 -0.00 0.67 -2.52 115.15 116.06 1npk h HIS 55 Ca 0.06 -0.01 -0.23 0.00 -0.00 0.00 0.00 60.37 60.19 1npk h HIS 55 Cb 0.96 -0.16 -0.14 0.00 -0.00 0.00 0.00 27.41 28.08 1npk h HIS 55 CO 0.06 0.39 0.29 0.66 -0.00 0.00 0.00 177.93 179.34 1npk n TYR 56 N -4.76 2.37 0.07 5.26 4.01 0.07 -4.65 117.16 119.53 1npk n TYR 56 Ca -0.01 -1.19 0.09 0.00 -0.16 0.00 0.00 57.90 56.64 1npk n TYR 56 Cb 0.08 -0.68 0.55 0.00 -0.31 0.00 0.00 39.34 38.98 1npk n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1npk h ALA 57 N 2.53 1.96 -0.16 -0.72 0.00 -0.74 0.11 119.26 122.25 1npk h ALA 57 Ca 0.28 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1npk h ALA 57 Cb 2.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 1npk h ALA 57 CO 0.73 -0.02 0.25 1.05 0.00 0.00 0.00 179.25 181.26 1npk h GLU 58 N 0.27 0.00 -0.13 0.00 4.11 -1.85 -1.27 114.58 115.72 1npk h GLU 58 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1npk h GLU 58 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1npk h GLU 58 CO -0.03 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.77 1npk n HIS 59 N -3.51 0.14 0.17 2.06 8.25 0.39 -4.65 115.22 118.08 1npk n HIS 59 Ca 0.01 -0.09 0.12 0.00 -0.26 0.00 0.00 57.72 57.50 1npk n HIS 59 Cb 0.36 -0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.09 1npk n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1npk h LYS 60 N 3.84 0.00 -0.01 -0.41 2.10 -1.26 0.28 116.57 121.10 1npk h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1npk h LYS 60 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1npk h LYS 60 CO 0.00 0.00 -0.43 0.39 -2.00 0.00 0.00 179.45 177.41 1npk n GLU 61 N -2.29 1.06 -3.05 0.07 4.71 -1.26 -4.91 120.64 114.96 1npk n GLU 61 Ca -0.02 -0.82 -0.29 0.00 -0.01 0.00 0.00 57.16 56.03 1npk n GLU 61 Cb 0.04 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 28.97 1npk n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1npk s ARG 62 N -2.50 3.66 0.32 3.49 1.81 0.97 -5.01 118.95 121.68 1npk s ARG 62 Ca 0.20 0.19 0.14 0.00 -1.72 0.00 0.00 55.73 54.53 1npk s ARG 62 Cb 0.18 -2.51 0.50 0.00 -0.45 0.00 0.00 34.95 32.67 1npk s ARG 62 CO 0.57 0.05 1.67 -1.00 -0.68 0.00 0.00 175.30 175.90 1npk h PRO 63 N 1.22 0.00 0.00 3.54 0.13 -1.91 -3.11 132.00 131.88 1npk h PRO 63 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1npk h PRO 63 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1npk h PRO 63 CO 0.64 0.51 0.00 1.97 -0.23 0.00 0.00 178.00 180.89 1npk n PHE 64 N -3.70 0.00 -0.16 1.56 -1.74 -1.26 -3.61 117.46 108.54 1npk n PHE 64 Ca -0.01 0.00 -0.03 0.00 -0.56 0.00 0.00 57.45 56.86 1npk n PHE 64 Cb 0.57 -0.39 0.04 0.00 1.52 0.00 0.00 39.48 41.21 1npk n PHE 64 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 1npk h PHE 65 N 0.00 -0.22 -0.37 2.97 3.57 -1.73 -2.22 116.94 118.95 1npk h PHE 65 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1npk h PHE 65 Cb 0.33 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1npk h PHE 65 CO 0.00 -0.20 -0.05 0.78 -2.23 0.00 0.00 178.31 176.61 1npk h GLY 66 N 0.02 0.30 1.06 2.40 0.00 -1.82 -1.23 103.07 103.81 1npk h GLY 66 Ca 0.25 0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.73 1npk h GLY 66 CO -0.50 -0.12 0.46 -1.33 0.00 0.00 0.00 176.54 175.05 1npk h GLY 67 N 0.04 0.92 0.65 4.60 0.00 -1.70 -0.46 103.07 107.11 1npk h GLY 67 Ca 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1npk h GLY 67 CO -0.35 0.21 -0.05 1.41 0.00 0.00 0.00 176.54 177.76 1npk h LEU 68 N 0.72 0.18 -0.37 3.11 3.38 -0.74 -1.84 115.31 119.75 1npk h LEU 68 Ca 0.31 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1npk h LEU 68 Cb 0.27 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1npk h LEU 68 CO -0.10 0.59 0.21 0.58 0.09 0.00 0.00 178.44 179.81 1npk h VAL 69 N -0.23 1.13 0.15 1.22 2.07 -1.06 -2.14 116.25 117.40 1npk h VAL 69 Ca 0.01 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1npk h VAL 69 Cb 0.53 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1npk h VAL 69 CO 0.01 0.14 -0.13 0.28 0.02 0.00 0.00 177.57 177.89 1npk h SER 70 N 0.48 -0.33 -0.58 0.57 0.02 -1.09 -2.59 113.55 110.02 1npk h SER 70 Ca 0.13 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1npk h SER 70 Cb 0.03 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1npk h SER 70 CO -0.02 -0.20 0.38 0.15 -1.14 0.00 0.00 176.83 176.00 1npk h PHE 71 N -0.29 0.72 0.00 3.45 3.57 -1.22 -2.51 116.94 120.65 1npk h PHE 71 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1npk h PHE 71 Cb 0.27 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1npk h PHE 71 CO -0.12 0.44 0.00 0.97 -2.23 0.00 0.00 178.31 177.38 1npk h ILE 72 N 0.77 0.00 -0.42 1.41 2.10 -1.26 0.36 117.51 120.47 1npk h ILE 72 Ca 0.22 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1npk h ILE 72 Cb -0.07 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1npk h ILE 72 CO -0.06 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.36 1npk n THR 73 N -2.73 0.55 1.24 2.19 -2.24 -0.99 -4.22 114.28 108.08 1npk n THR 73 Ca 0.03 -0.77 0.14 0.00 -2.27 0.00 0.00 64.05 61.18 1npk n THR 73 Cb 0.37 0.95 0.69 0.00 -2.10 0.00 0.00 70.33 70.24 1npk n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1npk n SER 74 N 1.53 0.00 -3.27 3.42 3.41 0.12 -4.79 113.62 114.04 1npk n SER 74 Ca 0.20 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1npk n SER 74 Cb 0.62 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1npk n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1npk n GLY 75 N 1.29 0.44 3.74 5.00 0.00 -1.26 -5.11 105.19 109.31 1npk n GLY 75 Ca 0.11 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1npk n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1npk s PRO 76 N -2.03 2.80 -0.02 1.61 0.04 -1.26 -4.41 135.00 131.74 1npk s PRO 76 Ca 0.24 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1npk s PRO 76 Cb -0.01 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 1npk s PRO 76 CO 0.02 -1.37 -0.11 0.08 0.04 0.00 0.00 177.00 175.66 1npk s VAL 77 N -1.49 0.87 -0.41 -0.36 1.01 0.26 -3.90 120.40 116.38 1npk s VAL 77 Ca 0.79 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 1npk s VAL 77 Cb -0.34 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.35 1npk s VAL 77 CO 0.37 0.25 0.27 -0.69 0.00 0.00 0.00 175.10 175.30 1npk s VAL 78 N -0.10 4.66 -0.01 2.92 1.01 -1.01 -0.60 120.40 127.26 1npk s VAL 78 Ca 0.02 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 1npk s VAL 78 Cb -0.06 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1npk s VAL 78 CO -0.00 -0.40 0.51 0.00 0.00 0.00 0.00 175.10 175.21 1npk s ALA 79 N 1.54 3.56 0.05 5.51 0.00 -0.28 -0.23 121.76 131.92 1npk s ALA 79 Ca 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 1npk s ALA 79 Cb -0.21 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1npk s ALA 79 CO 0.06 0.26 0.14 0.00 0.00 0.00 0.00 175.76 176.21 1npk s MET 80 N -0.43 0.67 -0.11 0.00 0.23 0.12 -1.73 119.30 118.05 1npk s MET 80 Ca 0.27 -0.78 0.03 0.00 -1.03 0.00 0.00 55.69 54.18 1npk s MET 80 Cb -0.17 0.27 0.01 0.00 -1.53 0.00 0.00 34.83 33.40 1npk s MET 80 CO 0.15 -0.18 -0.21 0.08 -2.03 0.00 0.00 175.02 172.83 1npk s VAL 81 N -2.90 1.87 0.01 5.16 1.01 -0.13 -1.21 120.40 124.21 1npk s VAL 81 Ca -0.02 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1npk s VAL 81 Cb 0.01 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1npk s VAL 81 CO -0.06 0.52 -0.14 -0.36 0.00 0.00 0.00 175.10 175.06 1npk s PHE 82 N 0.64 2.69 -0.03 5.22 0.08 -0.76 -0.88 117.98 124.94 1npk s PHE 82 Ca -0.12 -0.17 0.06 0.00 0.12 0.00 0.00 56.93 56.82 1npk s PHE 82 Cb -0.16 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1npk s PHE 82 CO 0.03 0.27 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.21 1npk s GLU 83 N -1.26 2.25 0.00 0.44 2.12 0.15 -1.17 118.70 121.23 1npk s GLU 83 Ca 0.15 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.63 1npk s GLU 83 Cb -0.11 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1npk s GLU 83 CO 0.05 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.76 1npk n GLY 84 N 2.32 1.62 3.71 -1.50 0.00 0.49 -0.61 105.19 111.22 1npk n GLY 84 Ca -0.16 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1npk n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1npk s LYS 85 N -2.00 4.13 -1.90 1.61 2.20 -1.25 -2.81 119.74 119.72 1npk s LYS 85 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1npk s LYS 85 Cb 0.00 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1npk s LYS 85 CO 0.00 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 1npk n GLY 86 N 4.10 0.83 0.24 5.54 0.00 -1.26 -4.87 105.19 109.77 1npk n GLY 86 Ca 0.17 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1npk n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1npk h VAL 87 N 0.00 1.21 -0.13 1.61 3.04 -1.81 -0.53 116.25 119.63 1npk h VAL 87 Ca -0.43 -0.91 -0.02 0.00 -1.01 0.00 0.00 66.70 64.33 1npk h VAL 87 Cb 1.31 1.22 -0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1npk h VAL 87 CO 0.57 0.29 0.01 0.58 -1.01 0.00 0.00 177.57 178.00 1npk h VAL 88 N 0.30 1.24 -0.05 1.51 2.07 -1.86 0.15 116.25 119.62 1npk h VAL 88 Ca 0.06 -0.79 -0.25 0.00 0.82 0.00 0.00 66.70 66.54 1npk h VAL 88 Cb 0.44 1.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1npk h VAL 88 CO 0.03 0.23 -0.94 0.00 0.02 0.00 0.00 177.57 176.90 1npk h ALA 89 N 0.77 0.24 -0.67 1.67 0.00 -1.85 -2.91 119.26 116.51 1npk h ALA 89 Ca 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1npk h ALA 89 Cb 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1npk h ALA 89 CO 0.01 0.71 0.30 1.03 0.00 0.00 0.00 179.25 181.29 1npk h SER 90 N 0.40 0.90 -0.03 0.00 0.87 -1.03 -1.07 113.55 113.60 1npk h SER 90 Ca -0.10 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.20 1npk h SER 90 Cb 1.58 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 63.30 1npk h SER 90 CO 0.18 0.80 -0.31 0.00 -0.53 0.00 0.00 176.83 176.97 1npk h ALA 91 N 1.13 1.02 -0.48 6.23 0.00 -0.72 -0.88 119.26 125.57 1npk h ALA 91 Ca 0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1npk h ALA 91 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1npk h ALA 91 CO -0.02 0.59 0.20 0.00 0.00 0.00 0.00 179.25 180.02 1npk h ARG 92 N 0.42 0.70 -0.94 0.00 3.08 -1.26 -0.70 114.38 115.68 1npk h ARG 92 Ca 0.05 -0.12 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1npk h ARG 92 Cb 0.76 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 1npk h ARG 92 CO 0.06 0.62 0.61 1.25 -1.07 0.00 0.00 179.97 181.44 1npk h LEU 93 N 0.63 1.09 -1.01 3.04 5.85 -0.54 -1.75 115.31 122.61 1npk h LEU 93 Ca 0.16 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1npk h LEU 93 Cb 0.17 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1npk h LEU 93 CO -0.02 0.80 -0.33 0.24 -0.34 0.00 0.00 178.44 178.79 1npk h MET 94 N 1.27 0.00 -0.13 1.25 2.86 -0.84 -3.09 114.93 116.25 1npk h MET 94 Ca 0.34 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.85 1npk h MET 94 Cb -0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1npk h MET 94 CO -0.07 0.33 -0.43 0.82 1.06 0.00 0.00 176.91 178.61 1npk h ILE 95 N 0.00 1.36 0.00 -1.22 2.04 -0.75 0.16 117.51 119.09 1npk h ILE 95 Ca -0.00 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.13 1npk h ILE 95 Cb 0.84 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1npk h ILE 95 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.32 1npk n GLY 96 N 0.58 -0.81 3.94 5.37 0.00 -0.69 -0.93 105.19 112.66 1npk n GLY 96 Ca -0.07 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.58 1npk n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1npk s VAL 97 N 0.00 2.34 0.19 1.61 -7.23 -1.26 -4.77 120.40 111.28 1npk s VAL 97 Ca 0.00 -1.24 -0.13 0.00 -1.81 0.00 0.00 61.98 58.80 1npk s VAL 97 Cb 0.00 -2.57 0.16 0.00 0.56 0.00 0.00 36.38 34.53 1npk s VAL 97 CO 0.00 0.00 1.66 0.74 -0.31 0.00 0.00 175.10 177.19 1npk h THR 98 N 0.68 0.53 -3.50 5.32 2.02 -1.98 -3.37 112.91 112.60 1npk h THR 98 Ca -0.37 -0.02 -0.59 0.00 0.77 0.00 0.00 66.41 66.20 1npk h THR 98 Cb 1.28 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.06 1npk h THR 98 CO 0.51 0.01 0.65 0.21 0.37 0.00 0.00 175.52 177.28 1npk s ASN 99 N -5.24 6.69 0.51 4.18 3.04 -1.26 -4.63 114.94 118.23 1npk s ASN 99 Ca -0.14 0.59 0.17 0.00 0.04 0.00 0.00 52.86 53.52 1npk s ASN 99 Cb 0.17 -2.48 1.25 0.00 -1.54 0.00 0.00 41.25 38.66 1npk s ASN 99 CO 0.73 -0.91 2.12 -0.65 -3.04 0.00 0.00 177.10 175.35 1npk h PRO 100 N 8.54 0.05 0.00 0.43 0.11 -1.84 -1.08 132.00 138.22 1npk h PRO 100 Ca -0.23 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 1npk h PRO 100 Cb 1.07 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1npk h PRO 100 CO 1.00 0.03 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.58 1npk h LEU 101 N 0.05 0.00 -0.55 2.35 3.38 -1.76 -2.24 115.31 116.54 1npk h LEU 101 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1npk h LEU 101 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1npk h LEU 101 CO -0.00 0.17 -0.64 0.00 0.09 0.00 0.00 178.44 178.06 1npk n ALA 102 N -2.28 3.95 -2.07 1.53 0.00 -0.44 -4.94 120.51 116.27 1npk n ALA 102 Ca -0.01 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 1npk n ALA 102 Cb 0.31 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1npk n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1npk s SER 103 N -2.69 7.39 0.37 0.00 0.01 -0.84 -4.85 113.70 113.09 1npk s SER 103 Ca 0.15 1.99 -0.28 0.00 1.31 0.00 0.00 55.95 59.11 1npk s SER 103 Cb 0.17 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.70 1npk s SER 103 CO 0.68 -0.11 1.43 0.00 0.41 0.00 0.00 173.24 175.65 1npk s ALA 104 N -0.35 3.54 0.31 1.44 0.00 -1.26 -4.22 121.76 121.22 1npk s ALA 104 Ca 0.47 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.65 1npk s ALA 104 Cb -0.27 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.14 1npk s ALA 104 CO 0.33 -0.94 0.75 -2.30 0.00 0.00 0.00 175.76 173.60 1npk n PRO 105 N 0.52 0.79 0.00 0.00 -0.02 -1.26 -1.83 135.00 133.20 1npk n PRO 105 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1npk n PRO 105 Cb 0.40 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1npk n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1npk n GLY 106 N 1.58 2.60 3.92 -1.23 0.00 -1.26 -4.98 105.19 105.82 1npk n GLY 106 Ca 0.12 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1npk n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1npk s SER 107 N 0.29 6.10 0.06 1.61 1.04 -0.76 -4.92 113.70 117.12 1npk s SER 107 Ca 0.00 0.72 -0.24 0.00 0.48 0.00 0.00 55.95 56.91 1npk s SER 107 Cb 0.00 -2.02 -0.16 0.00 0.10 0.00 0.00 66.02 63.94 1npk s SER 107 CO 0.00 -0.63 1.62 0.40 0.98 0.00 0.00 173.24 175.62 1npk h ILE 108 N 0.28 1.10 0.00 -1.02 2.04 -0.88 -0.23 117.51 118.79 1npk h ILE 108 Ca -0.47 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 1npk h ILE 108 Cb 1.22 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 1npk h ILE 108 CO 0.61 0.08 -0.48 0.03 0.00 0.00 0.00 178.15 178.39 1npk h ARG 109 N -0.11 0.00 -0.05 2.37 3.08 -1.29 -1.39 114.38 116.99 1npk h ARG 109 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1npk h ARG 109 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1npk h ARG 109 CO -0.00 0.48 -0.43 0.78 -1.07 0.00 0.00 179.97 179.73 1npk h GLY 110 N 1.95 0.13 1.20 0.04 0.00 -1.66 -1.03 103.07 103.70 1npk h GLY 110 Ca -0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 47.33 46.94 1npk h GLY 110 CO 0.06 0.11 -1.52 -0.55 0.00 0.00 0.00 176.54 174.65 1npk h ASP 111 N 0.10 0.00 0.00 0.19 3.32 -0.61 -3.41 116.42 116.01 1npk h ASP 111 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1npk h ASP 111 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1npk h ASP 111 CO 0.06 0.94 -0.18 0.49 -1.72 0.00 0.00 179.24 178.84 1npk n PHE 112 N -3.09 0.00 -4.39 4.55 3.72 -0.56 -5.07 117.46 112.61 1npk n PHE 112 Ca -0.12 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.04 1npk n PHE 112 Cb 1.00 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.45 1npk n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1npk s GLY 113 N -0.90 1.78 0.00 1.37 0.00 -0.40 -5.01 107.32 104.16 1npk s GLY 113 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.94 1npk s GLY 113 CO 0.00 -1.85 0.00 -0.62 0.00 0.00 0.00 173.10 170.63 1npk n VAL 114 N -0.73 0.00 -4.45 1.40 0.31 -1.26 -4.29 118.33 109.30 1npk n VAL 114 Ca -0.06 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 1npk n VAL 114 Cb 0.59 0.08 -0.16 0.00 -0.91 0.00 0.00 33.84 33.44 1npk n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1npk s ASP 115 N -0.37 1.44 0.28 4.52 2.15 -1.26 -4.35 116.67 119.09 1npk s ASP 115 Ca 0.00 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.77 1npk s ASP 115 Cb 0.00 -0.60 0.67 0.00 -0.30 0.00 0.00 42.92 42.69 1npk s ASP 115 CO 0.00 0.03 1.70 0.58 -0.17 0.00 0.00 175.17 177.31 1npk h VAL 116 N 5.84 0.51 0.00 1.11 2.07 -1.96 -0.55 116.25 123.28 1npk h VAL 116 Ca -0.33 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1npk h VAL 116 Cb 1.17 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1npk h VAL 116 CO 0.48 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.75 1npk n GLY 117 N -1.34 -1.54 2.49 2.17 0.00 -1.26 -3.53 105.19 102.18 1npk n GLY 117 Ca 0.20 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1npk n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1npk n ARG 118 N -2.10 2.24 -0.92 1.61 5.12 -0.23 -4.92 116.66 117.47 1npk n ARG 118 Ca 0.05 -4.34 -0.09 0.00 -1.93 0.00 0.00 57.85 51.54 1npk n ARG 118 Cb 0.36 -2.01 0.21 0.00 -1.16 0.00 0.00 32.46 29.85 1npk n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1npk n ASN 119 N 0.61 3.11 0.00 0.55 0.23 -1.14 -4.26 115.26 114.36 1npk n ASN 119 Ca 0.28 -3.63 0.00 0.00 -0.53 0.00 0.00 54.58 50.70 1npk n ASN 119 Cb 0.45 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.46 1npk n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1npk n ILE 120 N -1.01 0.00 -3.84 1.53 5.41 -1.26 -4.81 119.36 115.38 1npk n ILE 120 Ca 0.41 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.04 1npk n ILE 120 Cb 1.23 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 40.06 1npk n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1npk s ILE 121 N 0.00 0.05 -0.09 1.39 2.07 -1.26 0.35 121.20 123.70 1npk s ILE 121 Ca 0.00 -0.40 -0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1npk s ILE 121 Cb 0.00 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.19 1npk s ILE 121 CO 0.00 -0.22 -0.06 -2.28 -1.91 0.00 0.00 174.94 170.47 1npk s HIS 122 N -0.79 2.97 -0.00 3.50 5.65 0.11 -4.89 115.29 121.84 1npk s HIS 122 Ca -0.09 -0.08 0.03 0.00 0.25 0.00 0.00 55.06 55.18 1npk s HIS 122 Cb -0.05 -1.78 -0.01 0.00 -1.18 0.00 0.00 32.58 29.56 1npk s HIS 122 CO 0.01 0.23 -0.10 0.20 -0.65 0.00 0.00 174.74 174.43 1npk s GLY 123 N -0.48 0.50 0.35 1.59 0.00 -1.26 -0.98 107.32 107.04 1npk s GLY 123 Ca 0.07 -0.46 -0.27 0.00 0.00 0.00 0.00 44.72 44.07 1npk s GLY 123 CO 0.02 -0.39 1.13 1.44 0.00 0.00 0.00 173.10 175.30 1npk n SER 124 N 2.76 1.92 -0.47 1.64 7.64 -0.47 -4.91 113.62 121.72 1npk n SER 124 Ca -0.14 1.15 0.13 0.00 1.01 0.00 0.00 58.87 61.02 1npk n SER 124 Cb 0.56 -1.39 0.40 0.00 -1.01 0.00 0.00 64.21 62.78 1npk n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1npk n ASP 125 N 0.80 1.57 -3.49 6.43 5.68 -1.26 -4.83 116.55 121.44 1npk n ASP 125 Ca 0.07 -1.39 -0.10 0.00 -0.50 0.00 0.00 54.79 52.88 1npk n ASP 125 Cb 0.36 0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.38 1npk n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1npk s SER 126 N -2.17 -0.42 0.43 -1.12 1.04 -1.26 -4.95 113.70 105.26 1npk s SER 126 Ca 0.32 0.07 0.14 0.00 0.48 0.00 0.00 55.95 56.95 1npk s SER 126 Cb 0.20 0.43 1.03 0.00 0.10 0.00 0.00 66.02 67.78 1npk s SER 126 CO 0.40 -0.67 1.98 0.58 0.98 0.00 0.00 173.24 176.51 1npk h VAL 127 N 2.09 0.90 0.21 5.02 2.07 -1.91 0.33 116.25 124.96 1npk h VAL 127 Ca -0.24 -0.14 -0.32 0.00 0.82 0.00 0.00 66.70 66.81 1npk h VAL 127 Cb 1.24 0.45 0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1npk h VAL 127 CO 0.33 0.08 -1.40 -0.33 0.02 0.00 0.00 177.57 176.27 1npk h GLU 128 N 0.41 0.57 0.00 1.57 3.07 -1.96 0.11 114.58 118.35 1npk h GLU 128 Ca 0.27 -0.89 -0.10 0.00 -0.50 0.00 0.00 59.36 58.14 1npk h GLU 128 Cb 0.53 0.32 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 1npk h GLU 128 CO -0.08 1.42 -0.46 0.66 -1.40 0.00 0.00 179.01 179.15 1npk h SER 129 N 0.20 0.00 -0.18 1.42 4.64 -1.87 -1.85 113.55 115.91 1npk h SER 129 Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 1npk h SER 129 Cb 2.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.16 1npk h SER 129 CO 0.26 0.46 0.08 0.00 -0.87 0.00 0.00 176.83 176.77 1npk h ALA 130 N 1.54 0.24 -0.70 5.18 0.00 0.12 0.90 119.26 126.54 1npk h ALA 130 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1npk h ALA 130 Cb 0.82 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1npk h ALA 130 CO 0.06 -0.19 0.19 -0.91 0.00 0.00 0.00 179.25 178.40 1npk h ASN 131 N 0.16 1.02 -0.35 0.00 2.35 -0.65 0.16 115.58 118.27 1npk h ASN 131 Ca 0.06 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 1npk h ASN 131 Cb 0.14 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1npk h ASN 131 CO -0.01 0.97 0.03 -0.09 -1.65 0.00 0.00 177.43 176.69 1npk h ARG 132 N 1.04 0.59 -0.50 0.81 2.43 -1.20 -2.29 114.38 115.25 1npk h ARG 132 Ca 0.22 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 1npk h ARG 132 Cb 0.33 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1npk h ARG 132 CO -0.00 0.68 -0.15 0.93 -1.51 0.00 0.00 179.97 179.92 1npk h GLU 133 N 0.41 0.97 -0.38 0.20 5.08 -0.58 -1.45 114.58 118.84 1npk h GLU 133 Ca 0.10 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1npk h GLU 133 Cb 0.39 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1npk h GLU 133 CO 0.01 1.05 0.21 0.82 -1.00 0.00 0.00 179.01 180.10 1npk h ILE 134 N 0.86 1.15 0.00 3.13 2.04 -0.68 -0.60 117.51 123.41 1npk h ILE 134 Ca 0.13 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1npk h ILE 134 Cb 0.70 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1npk h ILE 134 CO 0.05 0.15 -0.22 0.00 0.00 0.00 0.00 178.15 178.14 1npk h ALA 135 N 1.07 1.13 0.21 1.87 0.00 -1.35 0.02 119.26 122.21 1npk h ALA 135 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1npk h ALA 135 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1npk h ALA 135 CO -0.02 0.27 -0.10 1.25 0.00 0.00 0.00 179.25 180.65 1npk h LEU 136 N 0.00 -0.24 0.00 0.00 6.46 -0.47 -3.38 115.31 117.68 1npk h LEU 136 Ca -0.00 -0.29 -0.09 0.00 -0.12 0.00 0.00 57.88 57.37 1npk h LEU 136 Cb 0.61 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1npk h LEU 136 CO 0.03 0.26 -0.89 -0.50 -0.62 0.00 0.00 178.44 176.72 1npk h TRP 137 N -0.84 0.00 -4.51 1.25 4.06 -0.89 -3.46 115.95 111.55 1npk h TRP 137 Ca -0.03 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 60.24 1npk h TRP 137 Cb 0.51 0.00 -0.29 0.00 -1.00 0.00 0.00 29.16 28.38 1npk h TRP 137 CO 0.06 0.37 -0.88 -0.06 -3.56 0.00 0.00 178.44 174.37 1npk s PHE 138 N -3.06 2.23 0.48 0.49 0.40 -0.03 -5.10 117.98 113.40 1npk s PHE 138 Ca 0.01 -0.42 -0.22 0.00 -0.60 0.00 0.00 56.93 55.70 1npk s PHE 138 Cb 0.08 -1.42 -0.07 0.00 0.51 0.00 0.00 43.02 42.12 1npk s PHE 138 CO 0.77 -0.01 1.13 0.15 0.70 0.00 0.00 175.22 177.96 1npk s LYS 139 N -0.72 3.68 0.45 0.44 1.02 -1.26 -4.55 119.74 118.81 1npk s LYS 139 Ca 0.10 1.65 0.20 0.00 0.02 0.00 0.00 55.97 57.94 1npk s LYS 139 Cb -0.10 -2.26 1.17 0.00 -0.52 0.00 0.00 37.83 36.12 1npk s LYS 139 CO -0.00 -0.59 1.90 -1.35 -0.92 0.00 0.00 175.35 174.39 1npk h PRO 140 N 1.78 0.29 0.00 -1.68 0.11 -1.94 0.15 132.00 130.71 1npk h PRO 140 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1npk h PRO 140 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1npk h PRO 140 CO 0.59 0.19 -0.06 0.93 -0.21 0.00 0.00 178.00 179.44 1npk h GLU 141 N 0.30 0.00 -0.00 1.05 3.07 -2.01 -2.95 114.58 114.04 1npk h GLU 141 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 1npk h GLU 141 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1npk h GLU 141 CO -0.11 0.06 0.00 0.39 -1.40 0.00 0.00 179.01 177.95 1npk n GLU 142 N -3.19 1.18 -5.00 2.33 1.02 0.52 -4.83 120.64 112.67 1npk n GLU 142 Ca 0.00 -0.26 -0.32 0.00 -0.02 0.00 0.00 57.16 56.56 1npk n GLU 142 Cb 0.34 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 1npk n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1npk s LEU 143 N -2.00 2.49 0.33 -4.62 1.43 -1.11 -4.49 118.68 110.70 1npk s LEU 143 Ca 0.45 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 1npk s LEU 143 Cb 0.22 -1.50 -0.11 0.00 0.03 0.00 0.00 46.19 44.83 1npk s LEU 143 CO 0.36 0.27 1.46 -0.76 0.23 0.00 0.00 176.35 177.91 1npk s LEU 144 N -0.31 4.36 -0.21 1.79 1.43 -0.10 -4.93 118.68 120.71 1npk s LEU 144 Ca 0.02 2.88 -0.09 0.00 -1.03 0.00 0.00 54.13 55.91 1npk s LEU 144 Cb -0.13 -3.65 -0.19 0.00 0.03 0.00 0.00 46.19 42.25 1npk s LEU 144 CO 0.02 -0.77 0.01 0.41 0.23 0.00 0.00 176.35 176.25 1npk n THR 145 N 1.22 1.60 -3.59 5.49 -1.04 -1.26 -4.80 114.28 111.88 1npk n THR 145 Ca 0.03 -0.44 -0.38 0.00 -2.04 0.00 0.00 64.05 61.21 1npk n THR 145 Cb 0.40 -1.74 -0.11 0.00 -1.82 0.00 0.00 70.33 67.05 1npk n THR 145 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1npk s GLU 146 N -2.50 3.81 -0.13 -2.82 4.04 -1.26 -5.06 118.70 114.78 1npk s GLU 146 Ca -0.31 -0.42 -0.00 0.00 0.04 0.00 0.00 54.97 54.28 1npk s GLU 146 Cb 0.09 -3.66 -0.02 0.00 0.02 0.00 0.00 34.13 30.56 1npk s GLU 146 CO 0.62 -0.24 -0.12 0.08 -1.84 0.00 0.00 175.26 173.76 1npk s VAL 147 N 1.73 3.15 -0.29 1.83 1.01 -1.26 -5.09 120.40 121.48 1npk s VAL 147 Ca 0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1npk s VAL 147 Cb -0.16 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.93 1npk s VAL 147 CO 0.10 0.53 0.01 -0.54 0.00 0.00 0.00 175.10 175.19 1npk s LYS 148 N 0.26 2.62 0.74 2.72 -0.14 -1.26 -5.12 119.74 119.56 1npk s LYS 148 Ca -0.09 -1.14 -0.12 0.00 -1.36 0.00 0.00 55.97 53.27 1npk s LYS 148 Cb -0.15 -3.19 0.04 0.00 -1.68 0.00 0.00 37.83 32.84 1npk s LYS 148 CO 0.05 -0.55 1.11 -1.25 -0.76 0.00 0.00 175.35 173.94 1npk s PRO 149 N 1.31 2.57 0.22 -1.68 0.04 -1.26 -5.04 135.00 131.16 1npk s PRO 149 Ca -0.03 0.46 -0.31 0.00 0.04 0.00 0.00 61.00 61.16 1npk s PRO 149 Cb -0.19 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 1npk s PRO 149 CO -0.01 -1.24 1.25 -1.71 0.04 0.00 0.00 177.00 175.33 1npk n ASN 150 N -3.15 1.99 0.00 6.66 2.85 -1.26 -4.86 115.26 117.49 1npk n ASN 150 Ca 0.07 1.15 0.11 0.00 -0.11 0.00 0.00 54.58 55.80 1npk n ASN 150 Cb 0.57 -1.32 0.54 0.00 1.24 0.00 0.00 39.78 40.81 1npk n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1npk n PRO 151 N 1.70 0.20 -0.04 1.20 -0.04 -1.26 -2.89 135.00 133.88 1npk n PRO 151 Ca 0.12 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.80 1npk n PRO 151 Cb 0.29 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.45 1npk n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1npk n ASN 152 N -1.36 2.77 0.01 3.54 3.02 -1.26 -4.10 115.26 117.88 1npk n ASN 152 Ca 0.09 -1.90 -0.17 0.00 -0.03 0.00 0.00 54.58 52.57 1npk n ASN 152 Cb 0.21 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 1npk n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1npk h LEU 153 N 4.17 0.29 -8.50 3.41 3.38 -1.91 -3.48 115.31 112.67 1npk h LEU 153 Ca 0.00 -0.59 -0.66 0.00 0.09 0.00 0.00 57.88 56.72 1npk h LEU 153 Cb 0.89 -0.09 -0.30 0.00 0.09 0.00 0.00 40.66 41.24 1npk h LEU 153 CO 0.00 1.52 -0.88 -0.31 0.09 0.00 0.00 178.44 178.87 1npk s TYR 154 N -2.58 2.18 -2.36 1.13 2.02 -1.26 -5.13 117.35 111.36 1npk s TYR 154 Ca -0.14 -0.50 0.29 0.00 -0.37 0.00 0.00 57.07 56.35 1npk s TYR 154 Cb 0.07 -1.42 1.30 0.00 -0.40 0.00 0.00 41.96 41.51 1npk s TYR 154 CO 0.80 -0.09 1.89 -1.91 -1.57 0.00 0.00 175.55 174.66