#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfm s ASP 2 N 0.00 6.38 0.15 1.61 -1.08 -1.26 -4.89 116.67 117.58 1lfm s ASP 2 Ca 0.00 -0.23 -0.17 0.00 -0.52 0.00 0.00 52.55 51.64 1lfm s ASP 2 Cb 0.00 -2.42 0.06 0.00 -1.46 0.00 0.00 42.92 39.10 1lfm s ASP 2 CO 0.00 -1.12 1.72 0.58 0.52 0.00 0.00 175.17 176.87 1lfm h VAL 3 N 6.02 0.81 -0.91 1.11 2.07 -1.88 -0.44 116.25 123.03 1lfm h VAL 3 Ca -0.25 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1lfm h VAL 3 Cb 1.08 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1lfm h VAL 3 CO 1.05 0.03 0.61 0.00 0.02 0.00 0.00 177.57 179.27 1lfm h ALA 4 N 1.26 1.16 -0.55 1.67 0.00 -1.92 0.30 119.26 121.19 1lfm h ALA 4 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1lfm h ALA 4 Cb 0.19 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lfm h ALA 4 CO -0.23 0.56 0.01 0.87 0.00 0.00 0.00 179.25 180.46 1lfm h LYS 5 N 1.24 0.93 -0.62 0.00 1.57 -1.81 -2.65 116.57 115.22 1lfm h LYS 5 Ca 0.33 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1lfm h LYS 5 Cb -0.14 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1lfm h LYS 5 CO -0.07 0.91 0.29 0.78 -0.57 0.00 0.00 179.45 180.79 1lfm h GLY 6 N 1.00 0.94 1.00 3.86 0.00 -0.36 -2.26 103.07 107.24 1lfm h GLY 6 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1lfm h GLY 6 CO 0.02 0.43 0.35 1.70 0.00 0.00 0.00 176.54 179.04 1lfm h LYS 7 N 0.88 0.74 -0.46 4.80 3.64 -0.62 -0.25 116.57 125.29 1lfm h LYS 7 Ca 0.22 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1lfm h LYS 7 Cb 0.10 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1lfm h LYS 7 CO -0.03 0.51 0.25 -0.22 -2.27 0.00 0.00 179.45 177.69 1lfm h LYS 8 N 0.75 0.65 -0.84 1.90 3.64 -1.17 0.11 116.57 121.60 1lfm h LYS 8 Ca 0.20 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1lfm h LYS 8 Cb -0.05 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.59 1lfm h LYS 8 CO -0.04 0.52 0.54 1.15 -2.27 0.00 0.00 179.45 179.35 1lfm h THR 9 N 0.61 1.13 -0.17 1.00 2.02 -1.13 -0.63 112.91 115.74 1lfm h THR 9 Ca 0.16 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1lfm h THR 9 Cb 0.06 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1lfm h THR 9 CO -0.03 0.19 0.06 0.15 0.37 0.00 0.00 175.52 176.27 1lfm h PHE 10 N 1.05 0.26 -0.66 3.16 3.04 -0.40 0.11 116.94 123.50 1lfm h PHE 10 Ca 0.34 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.24 1lfm h PHE 10 Cb 0.02 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 1lfm h PHE 10 CO -0.02 0.34 0.31 0.28 -2.02 0.00 0.00 178.31 177.20 1lfm h VAL 11 N 0.12 1.22 0.04 1.41 2.07 -0.61 0.90 116.25 121.39 1lfm h VAL 11 Ca 0.06 -0.61 -0.26 0.00 0.82 0.00 0.00 66.70 66.71 1lfm h VAL 11 Cb 0.19 0.37 0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1lfm h VAL 11 CO -0.00 0.26 -1.07 -0.61 0.02 0.00 0.00 177.57 176.16 1lfm h GLN 12 N 0.94 0.54 0.00 1.57 4.15 -0.86 -3.36 115.11 118.08 1lfm h GLN 12 Ca 0.23 -0.63 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1lfm h GLN 12 Cb 0.10 0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1lfm h GLN 12 CO -0.03 1.25 -0.65 1.63 -1.93 0.00 0.00 178.83 179.09 1lfm n LYS 13 N -3.77 3.18 0.00 1.69 5.02 0.37 -4.81 118.16 119.84 1lfm n LYS 13 Ca -0.10 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1lfm n LYS 13 Cb 0.90 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.92 1lfm n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lfm h ALA 15 N 0.00 1.45 0.00 0.00 0.00 -1.28 -0.74 119.26 118.68 1lfm h ALA 15 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1lfm h ALA 15 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1lfm h ALA 15 CO 0.00 -0.13 -0.22 -0.56 0.00 0.00 0.00 179.25 178.34 1lfm h GLN 16 N 0.00 0.00 -0.00 0.00 -0.00 -1.86 -3.12 115.11 110.12 1lfm h GLN 16 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1lfm h GLN 16 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 1lfm h GLN 16 CO -0.00 0.22 -0.15 0.00 -0.00 0.00 0.00 178.83 178.90 1lfm s HIS 18 N -1.10 0.08 0.16 0.00 3.76 -0.71 -0.42 115.29 117.05 1lfm s HIS 18 Ca 0.04 -0.21 0.08 0.00 -0.15 0.00 0.00 55.06 54.83 1lfm s HIS 18 Cb 0.05 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.63 1lfm s HIS 18 CO 0.16 -0.29 -0.09 0.95 -0.85 0.00 0.00 174.74 174.63 1lfm s THR 19 N -1.50 3.27 -0.01 1.30 -4.23 -1.26 -4.25 115.64 108.95 1lfm s THR 19 Ca -0.14 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 58.91 1lfm s THR 19 Cb -0.07 -2.59 -0.11 0.00 1.34 0.00 0.00 72.50 71.06 1lfm s THR 19 CO 0.01 -0.04 0.15 1.33 -0.54 0.00 0.00 174.62 175.52 1lfm n VAL 20 N 0.23 0.03 -1.58 2.29 0.24 -1.26 -0.83 118.33 117.44 1lfm n VAL 20 Ca -0.12 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.34 61.67 1lfm n VAL 20 Cb 0.54 0.25 0.07 0.00 -1.47 0.00 0.00 33.84 33.24 1lfm n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1lfm s GLU 21 N -2.48 2.43 -0.08 7.34 -1.05 -1.26 -3.33 118.70 120.27 1lfm s GLU 21 Ca -0.03 1.60 -0.29 0.00 -0.15 0.00 0.00 54.97 56.10 1lfm s GLU 21 Cb 0.04 -1.88 -0.06 0.00 -0.44 0.00 0.00 34.13 31.79 1lfm s GLU 21 CO 0.30 -1.58 1.81 1.21 0.95 0.00 0.00 175.26 177.95 1lfm s ASN 22 N -2.25 6.41 0.00 0.83 3.84 -1.26 -0.76 114.94 121.75 1lfm s ASN 22 Ca 0.71 2.21 0.00 0.00 0.21 0.00 0.00 52.86 55.99 1lfm s ASN 22 Cb -0.25 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 1lfm s ASN 22 CO 0.43 -1.14 0.00 0.61 -2.79 0.00 0.00 177.10 174.21 1lfm n GLY 23 N 4.54 0.75 3.74 1.21 0.00 -1.26 -5.04 105.19 109.13 1lfm n GLY 23 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1lfm n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1lfm s GLY 24 N -1.77 2.28 0.55 -0.02 0.00 0.06 -5.00 107.32 103.42 1lfm s GLY 24 Ca 0.00 0.75 -0.10 0.00 0.00 0.00 0.00 44.72 45.37 1lfm s GLY 24 CO 0.00 1.14 0.93 -1.59 0.00 0.00 0.00 173.10 173.57 1lfm s LYS 25 N -3.96 3.64 0.35 2.90 -2.85 -1.26 -4.74 119.74 113.82 1lfm s LYS 25 Ca 0.71 0.58 -0.25 0.00 -1.00 0.00 0.00 55.97 56.01 1lfm s LYS 25 Cb -0.26 -2.21 -0.10 0.00 -2.06 0.00 0.00 37.83 33.21 1lfm s LYS 25 CO 0.43 -0.38 0.96 -1.01 0.10 0.00 0.00 175.35 175.45 1lfm s HIS 26 N -2.91 3.57 0.00 1.78 3.76 -1.26 -4.15 115.29 116.08 1lfm s HIS 26 Ca 0.53 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 57.17 1lfm s HIS 26 Cb -0.11 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1lfm s HIS 26 CO 0.47 0.06 0.00 1.63 -0.85 0.00 0.00 174.74 176.04 1lfm n LYS 27 N 0.26 0.78 -0.36 1.40 5.02 -1.26 -4.95 118.16 119.05 1lfm n LYS 27 Ca 0.03 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.31 1lfm n LYS 27 Cb 0.51 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.65 1lfm n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1lfm h VAL 28 N 0.00 1.23 -1.34 -0.18 2.07 -1.82 -3.43 116.25 112.78 1lfm h VAL 28 Ca 0.00 -0.45 -0.60 0.00 0.82 0.00 0.00 66.70 66.47 1lfm h VAL 28 Cb 0.00 -0.18 -0.10 0.00 -1.52 0.00 0.00 31.29 29.49 1lfm h VAL 28 CO 0.00 0.24 -0.51 -0.83 0.02 0.00 0.00 177.57 176.49 1lfm s GLY 29 N -3.18 2.48 0.49 2.17 0.00 0.44 -5.07 107.32 104.65 1lfm s GLY 29 Ca -0.13 -1.84 -0.22 0.00 0.00 0.00 0.00 44.72 42.54 1lfm s GLY 29 CO 0.81 -2.00 1.16 2.56 0.00 0.00 0.00 173.10 175.63 1lfm s PRO 30 N -3.89 3.60 0.48 2.90 0.04 -1.26 -4.63 135.00 132.24 1lfm s PRO 30 Ca 0.34 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 1lfm s PRO 30 Cb 0.05 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1lfm s PRO 30 CO 0.18 -0.68 1.37 1.21 0.04 0.00 0.00 177.00 179.13 1lfm s ASN 31 N -1.47 5.73 0.00 6.66 3.84 -1.26 -4.41 114.94 124.03 1lfm s ASN 31 Ca 0.67 2.80 0.19 0.00 0.21 0.00 0.00 52.86 56.73 1lfm s ASN 31 Cb -0.28 -2.64 0.42 0.00 -0.55 0.00 0.00 41.25 38.20 1lfm s ASN 31 CO 0.33 -1.26 1.35 0.18 -2.79 0.00 0.00 177.10 174.90 1lfm n LEU 32 N -0.46 3.32 -4.70 3.21 4.77 -0.01 -4.88 117.00 118.24 1lfm n LEU 32 Ca 0.07 -1.68 -0.43 0.00 -0.03 0.00 0.00 56.01 53.94 1lfm n LEU 32 Cb 0.43 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1lfm n LEU 32 CO 0.56 0.76 1.18 1.87 -1.33 0.00 0.00 177.39 180.43 1lfm n TRP 33 N 1.24 2.52 -0.72 -1.77 -0.00 -1.21 -2.08 117.44 115.43 1lfm n TRP 33 Ca 0.18 0.28 0.00 0.00 -0.00 0.00 0.00 57.50 57.96 1lfm n TRP 33 Cb 0.54 -2.56 0.00 0.00 -0.00 0.00 0.00 31.31 29.29 1lfm n TRP 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1lfm n GLY 34 N 2.65 0.64 0.17 5.87 0.00 0.03 -4.99 105.19 109.56 1lfm n GLY 34 Ca 0.12 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1lfm n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1lfm h LEU 35 N 0.00 -0.37 -9.83 0.99 5.85 -1.60 -3.40 115.31 106.95 1lfm h LEU 35 Ca 0.00 0.09 -0.52 0.00 0.84 0.00 0.00 57.88 58.29 1lfm h LEU 35 Cb 0.00 0.21 0.06 0.00 0.37 0.00 0.00 40.66 41.30 1lfm h LEU 35 CO 0.00 -0.14 0.67 -0.36 -0.34 0.00 0.00 178.44 178.26 1lfm s PHE 36 N -6.18 3.07 0.00 1.25 0.08 -1.26 -2.67 117.98 112.27 1lfm s PHE 36 Ca -0.14 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1lfm s PHE 36 Cb 0.11 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 1lfm s PHE 36 CO 0.69 -2.03 0.00 0.41 -0.10 0.00 0.00 175.22 174.19 1lfm n GLY 37 N 1.29 1.37 3.65 4.36 0.00 0.65 -5.00 105.19 111.50 1lfm n GLY 37 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1lfm n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1lfm s ARG 38 N -0.10 2.49 0.84 1.61 3.52 -1.09 -4.85 118.95 121.37 1lfm s ARG 38 Ca 0.00 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.66 1lfm s ARG 38 Cb 0.00 -2.50 0.10 0.00 -1.56 0.00 0.00 34.95 30.99 1lfm s ARG 38 CO 0.00 0.55 1.10 0.15 -0.81 0.00 0.00 175.30 176.29 1lfm s LYS 39 N -2.06 1.71 0.57 5.12 1.02 -1.26 -1.16 119.74 123.67 1lfm s LYS 39 Ca 0.23 1.14 -0.20 0.00 0.02 0.00 0.00 55.97 57.16 1lfm s LYS 39 Cb -0.11 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1lfm s LYS 39 CO 0.15 -2.02 1.26 0.95 -0.92 0.00 0.00 175.35 174.77 1lfm s THR 40 N -2.85 2.43 -0.99 2.17 -4.23 -0.81 -3.83 115.64 107.53 1lfm s THR 40 Ca 0.63 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 61.38 1lfm s THR 40 Cb -0.19 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1lfm s THR 40 CO 0.57 -0.04 0.54 0.61 -0.54 0.00 0.00 174.62 175.76 1lfm n GLY 41 N 0.63 -0.09 0.35 3.99 0.00 -1.18 -4.60 105.19 104.29 1lfm n GLY 41 Ca 0.12 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1lfm n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lfm n GLN 42 N -3.12 1.33 -1.99 1.61 1.13 -1.25 -4.77 117.38 110.32 1lfm n GLN 42 Ca -0.05 -1.35 -0.42 0.00 -1.94 0.00 0.00 57.00 53.24 1lfm n GLN 42 Cb 0.57 -1.16 -0.03 0.00 0.11 0.00 0.00 30.24 29.73 1lfm n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lfm s ALA 43 N -0.78 3.63 0.31 -1.58 0.00 -1.26 -4.93 121.76 117.14 1lfm s ALA 43 Ca 0.12 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1lfm s ALA 43 Cb 0.07 -3.72 -0.10 0.00 0.00 0.00 0.00 23.12 19.37 1lfm s ALA 43 CO 0.10 -1.26 1.39 -2.00 0.00 0.00 0.00 175.76 173.99 1lfm s GLU 44 N 3.43 4.28 0.00 0.00 -6.30 -1.26 -3.09 118.70 115.75 1lfm s GLU 44 Ca 0.73 2.32 0.00 0.00 -2.50 0.00 0.00 54.97 55.52 1lfm s GLU 44 Cb -0.36 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 30.71 1lfm s GLU 44 CO 0.31 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1lfm n GLY 45 N 1.30 1.11 3.68 -1.50 0.00 -1.26 -5.04 105.19 103.48 1lfm n GLY 45 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1lfm n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lfm s TYR 46 N -3.05 3.16 -0.59 1.61 5.04 -1.18 -5.06 117.35 117.28 1lfm s TYR 46 Ca 0.00 0.17 -0.19 0.00 -2.44 0.00 0.00 57.07 54.61 1lfm s TYR 46 Cb 0.00 -1.80 0.10 0.00 0.35 0.00 0.00 41.96 40.61 1lfm s TYR 46 CO 0.00 0.44 0.70 -1.12 -1.34 0.00 0.00 175.55 174.24 1lfm s SER 47 N -0.80 6.18 0.51 4.32 0.01 -1.26 -4.94 113.70 117.73 1lfm s SER 47 Ca 0.12 -1.40 -0.08 0.00 1.31 0.00 0.00 55.95 55.91 1lfm s SER 47 Cb -0.11 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1lfm s SER 47 CO 0.02 -1.11 0.86 -0.31 0.41 0.00 0.00 173.24 173.11 1lfm s TYR 48 N 2.70 3.57 0.74 2.43 2.02 -1.26 -5.07 117.35 122.48 1lfm s TYR 48 Ca 0.12 0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 1lfm s TYR 48 Cb -0.24 -2.45 0.04 0.00 -0.40 0.00 0.00 41.96 38.91 1lfm s TYR 48 CO 0.07 -0.38 1.11 0.95 -1.57 0.00 0.00 175.55 175.73 1lfm s THR 49 N -2.82 3.16 0.37 -0.71 -4.23 -1.26 -4.89 115.64 105.25 1lfm s THR 49 Ca 0.50 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.51 1lfm s THR 49 Cb -0.10 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.10 1lfm s THR 49 CO 0.46 -0.43 1.98 0.44 -0.54 0.00 0.00 174.62 176.53 1lfm h ASP 50 N -0.69 0.65 -0.46 3.99 3.32 -1.97 -2.33 116.42 118.92 1lfm h ASP 50 Ca -0.45 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1lfm h ASP 50 Cb 1.24 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1lfm h ASP 50 CO 0.52 0.44 0.30 0.00 -1.72 0.00 0.00 179.24 178.77 1lfm h ALA 51 N 1.62 0.58 -0.05 3.45 0.00 -1.87 0.18 119.26 123.18 1lfm h ALA 51 Ca 0.28 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1lfm h ALA 51 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1lfm h ALA 51 CO -0.09 0.01 -0.38 -0.97 0.00 0.00 0.00 179.25 177.83 1lfm h ASN 52 N 0.60 0.10 0.62 0.00 -0.00 -1.82 -1.83 115.58 113.26 1lfm h ASN 52 Ca 0.17 -0.04 -0.22 0.00 -0.00 0.00 0.00 56.30 56.22 1lfm h ASN 52 Cb -0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.23 1lfm h ASN 52 CO -0.05 0.48 -0.98 0.11 -0.00 0.00 0.00 177.43 176.98 1lfm h LYS 53 N 0.08 0.21 0.00 6.67 1.57 -0.90 -3.13 116.57 121.07 1lfm h LYS 53 Ca 0.01 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1lfm h LYS 53 Cb 0.72 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1lfm h LYS 53 CO 0.05 1.04 -0.35 0.77 -0.57 0.00 0.00 179.45 180.39 1lfm h SER 54 N 0.10 0.00 -0.69 0.86 0.02 -0.43 -3.36 113.55 110.05 1lfm h SER 54 Ca -0.06 -0.09 0.15 0.00 -0.84 0.00 0.00 61.79 60.95 1lfm h SER 54 Cb 1.66 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.08 1lfm h SER 54 CO 0.15 0.04 0.02 0.50 -1.14 0.00 0.00 176.83 176.41 1lfm h LYS 55 N 0.00 0.12 0.00 3.45 1.63 -1.45 -3.45 116.57 116.87 1lfm h LYS 55 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1lfm h LYS 55 Cb 0.80 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1lfm h LYS 55 CO 0.00 0.08 0.00 0.41 -3.45 0.00 0.00 179.45 176.49 1lfm n GLY 56 N -1.39 0.89 3.96 5.01 0.00 -1.26 -5.04 105.19 107.36 1lfm n GLY 56 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1lfm n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lfm s ILE 57 N -3.54 2.82 -0.21 -0.61 -5.25 -1.26 -4.82 121.20 108.33 1lfm s ILE 57 Ca 0.00 -0.50 -0.11 0.00 -0.99 0.00 0.00 60.65 59.05 1lfm s ILE 57 Cb 0.00 -3.10 -0.05 0.00 2.95 0.00 0.00 42.46 42.27 1lfm s ILE 57 CO 0.00 -0.08 0.19 -0.69 -1.79 0.00 0.00 174.94 172.57 1lfm s VAL 58 N -2.87 5.36 0.13 8.37 1.01 -1.26 -1.92 120.40 129.22 1lfm s VAL 58 Ca 0.57 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 1lfm s VAL 58 Cb -0.10 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1lfm s VAL 58 CO 0.40 0.38 1.33 0.26 0.00 0.00 0.00 175.10 177.47 1lfm s TRP 59 N 0.73 3.29 0.23 5.22 0.23 -0.31 -4.75 118.94 123.58 1lfm s TRP 59 Ca 0.10 1.10 -0.11 0.00 -2.03 0.00 0.00 56.10 55.16 1lfm s TRP 59 Cb -0.13 -3.61 0.04 0.00 0.03 0.00 0.00 33.47 29.81 1lfm s TRP 59 CO 0.02 -2.03 0.56 0.09 0.96 0.00 0.00 176.95 176.55 1lfm n ASN 60 N 3.53 -1.43 -0.22 2.95 5.03 -1.26 -0.25 115.26 123.61 1lfm n ASN 60 Ca 0.09 -1.94 -0.01 0.00 0.87 0.00 0.00 54.58 53.59 1lfm n ASN 60 Cb 0.43 2.37 0.06 0.00 -1.02 0.00 0.00 39.78 41.61 1lfm n ASN 60 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.26 176.21 1lfm h ASN 61 N 1.30 -0.74 -0.19 6.41 4.21 -1.96 -0.60 115.58 124.01 1lfm h ASN 61 Ca -0.21 0.21 -0.07 0.00 1.21 0.00 0.00 56.30 57.43 1lfm h ASN 61 Cb 0.81 0.45 -0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1lfm h ASN 61 CO 0.27 -0.24 -0.17 -0.78 -1.29 0.00 0.00 177.43 175.22 1lfm h ASP 62 N -0.04 0.48 0.51 5.81 1.82 -1.97 -1.12 116.42 121.91 1lfm h ASP 62 Ca 0.30 -0.47 -0.15 0.00 -0.39 0.00 0.00 57.03 56.32 1lfm h ASP 62 Cb 0.50 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1lfm h ASP 62 CO -0.68 0.85 -0.66 0.71 -1.61 0.00 0.00 179.24 177.85 1lfm h THR 63 N 0.12 1.43 -0.28 2.25 1.35 -1.81 -2.20 112.91 113.77 1lfm h THR 63 Ca 0.03 -2.16 -0.16 0.00 -0.55 0.00 0.00 66.41 63.57 1lfm h THR 63 Cb 0.71 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1lfm h THR 63 CO 0.04 0.63 -0.47 -0.07 -0.25 0.00 0.00 175.52 175.40 1lfm h LEU 64 N 0.09 0.81 -0.74 3.87 3.38 -1.08 -0.47 115.31 121.17 1lfm h LEU 64 Ca -0.01 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1lfm h LEU 64 Cb 1.17 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1lfm h LEU 64 CO 0.09 1.15 0.48 0.24 0.09 0.00 0.00 178.44 180.49 1lfm h MET 65 N 0.59 0.99 -0.08 1.13 2.86 -1.00 0.05 114.93 119.46 1lfm h MET 65 Ca 0.03 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1lfm h MET 65 Cb 1.03 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.47 1lfm h MET 65 CO 0.10 0.67 -0.13 1.49 1.06 0.00 0.00 176.91 180.09 1lfm h GLU 66 N 1.01 0.24 -0.19 1.72 4.81 -1.23 -3.16 114.58 117.78 1lfm h GLU 66 Ca 0.27 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1lfm h GLU 66 Cb -0.09 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 1lfm h GLU 66 CO -0.06 0.72 -0.06 -0.92 -0.73 0.00 0.00 179.01 177.96 1lfm h TYR 67 N -0.21 -0.12 0.00 0.92 5.03 -0.91 -2.64 116.97 119.04 1lfm h TYR 67 Ca 0.01 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1lfm h TYR 67 Cb 0.70 0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.06 1lfm h TYR 67 CO 0.10 -0.09 0.00 -0.07 -1.32 0.00 0.00 178.16 176.78 1lfm h LEU 68 N -0.01 0.00 -0.54 2.82 3.38 -1.07 -0.76 115.31 119.13 1lfm h LEU 68 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1lfm h LEU 68 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1lfm h LEU 68 CO -0.21 0.00 -0.68 -0.08 0.09 0.00 0.00 178.44 177.56 1lfm h GLU 69 N 0.00 0.24 -0.79 1.13 4.81 -1.43 0.67 114.58 119.21 1lfm h GLU 69 Ca 0.00 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1lfm h GLU 69 Cb 0.28 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 29.51 1lfm h GLU 69 CO 0.00 0.83 -0.37 1.21 -0.73 0.00 0.00 179.01 179.95 1lfm s ASN 70 N -6.91 -1.22 0.16 1.04 3.84 -0.69 -4.31 114.94 106.85 1lfm s ASN 70 Ca -0.04 -0.70 -0.19 0.00 0.21 0.00 0.00 52.86 52.14 1lfm s ASN 70 Cb 0.11 1.56 0.06 0.00 -0.55 0.00 0.00 41.25 42.43 1lfm s ASN 70 CO 0.81 -0.13 1.66 -0.65 -2.79 0.00 0.00 177.10 176.01 1lfm h PRO 71 N 6.40 -0.06 0.00 0.43 0.11 -1.37 -2.45 132.00 135.06 1lfm h PRO 71 Ca 0.03 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.07 1lfm h PRO 71 Cb 1.19 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1lfm h PRO 71 CO 0.05 -0.04 -0.33 1.57 -0.21 0.00 0.00 178.00 179.03 1lfm h LYS 72 N -0.07 0.00 -0.47 1.05 2.10 -1.83 -0.07 116.57 117.28 1lfm h LYS 72 Ca 0.16 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.68 1lfm h LYS 72 Cb 0.31 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 1lfm h LYS 72 CO -0.37 0.33 -0.21 -0.22 -2.00 0.00 0.00 179.45 176.99 1lfm h LYS 73 N 0.00 0.97 0.02 0.07 3.64 -1.84 -2.30 116.57 117.14 1lfm h LYS 73 Ca -0.00 -0.40 -0.24 0.00 -1.27 0.00 0.00 60.65 58.73 1lfm h LYS 73 Cb 0.62 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1lfm h LYS 73 CO 0.04 1.07 -1.01 -0.92 -2.27 0.00 0.00 179.45 176.37 1lfm h TYR 74 N 0.84 0.69 -2.63 1.91 3.20 -1.00 -3.38 116.97 116.60 1lfm h TYR 74 Ca 0.11 -0.39 -0.60 0.00 3.14 0.00 0.00 58.73 60.99 1lfm h TYR 74 Cb 0.78 -0.07 -0.40 0.00 1.54 0.00 0.00 36.73 38.57 1lfm h TYR 74 CO 0.05 1.23 -0.76 -0.89 -1.64 0.00 0.00 178.16 176.15 1lfm n ILE 75 N -3.74 0.57 -1.73 1.81 5.41 -0.08 -5.07 119.36 116.53 1lfm n ILE 75 Ca -0.08 -4.36 -0.42 0.00 1.00 0.00 0.00 62.75 58.89 1lfm n ILE 75 Cb 0.87 -1.98 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 1lfm n ILE 75 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1lfm n PRO 76 N 2.05 2.64 -0.01 0.38 -0.04 -0.87 -1.26 135.00 137.89 1lfm n PRO 76 Ca 0.25 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 1lfm n PRO 76 Cb 0.42 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1lfm n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lfm n GLY 77 N 2.86 0.25 3.75 0.55 0.00 -1.26 -4.81 105.19 106.53 1lfm n GLY 77 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1lfm n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lfm s THR 78 N -2.05 2.46 -2.17 2.61 -1.32 -0.39 -4.82 115.64 109.96 1lfm s THR 78 Ca 0.00 0.30 0.20 0.00 -1.21 0.00 0.00 61.69 60.98 1lfm s THR 78 Cb 0.00 -3.13 0.49 0.00 -1.51 0.00 0.00 72.50 68.35 1lfm s THR 78 CO 0.00 -0.05 1.44 2.29 -2.21 0.00 0.00 174.62 176.10 1lfm n LYS 79 N -1.44 2.31 -2.70 7.08 2.85 -1.26 -4.76 118.16 120.24 1lfm n LYS 79 Ca 0.13 -2.02 -0.43 0.00 -1.05 0.00 0.00 58.31 54.95 1lfm n LYS 79 Cb 0.48 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.37 1lfm n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1lfm s MET 80 N -1.37 3.51 -0.57 -1.58 1.75 -1.26 -4.96 119.30 114.82 1lfm s MET 80 Ca 0.38 0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.83 1lfm s MET 80 Cb 0.21 -3.99 0.14 0.00 2.84 0.00 0.00 34.83 34.03 1lfm s MET 80 CO 0.28 -1.49 0.51 0.42 -0.65 0.00 0.00 175.02 174.09 1lfm s ILE 81 N 4.36 5.08 -0.29 10.11 -1.09 -1.26 -4.76 121.20 133.36 1lfm s ILE 81 Ca 0.39 -1.69 -0.15 0.00 -2.23 0.00 0.00 60.65 56.98 1lfm s ILE 81 Cb -0.09 -4.25 0.10 0.00 -1.58 0.00 0.00 42.46 36.63 1lfm s ILE 81 CO 0.25 -0.88 0.70 0.12 -1.23 0.00 0.00 174.94 173.90 1lfm s PHE 82 N 1.35 -1.11 0.30 3.97 2.19 -1.26 -5.07 117.98 118.35 1lfm s PHE 82 Ca 0.06 2.14 -0.00 0.00 0.33 0.00 0.00 56.93 59.45 1lfm s PHE 82 Cb -0.27 0.67 0.47 0.00 -1.31 0.00 0.00 43.02 42.58 1lfm s PHE 82 CO 0.01 -0.55 1.88 0.00 1.83 0.00 0.00 175.22 178.39 1lfm h ALA 83 N 7.21 1.32 0.00 11.12 0.00 -1.96 -3.39 119.26 133.56 1lfm h ALA 83 Ca -0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1lfm h ALA 83 Cb 1.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1lfm h ALA 83 CO 0.15 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1lfm n GLY 84 N -1.05 3.12 3.49 0.00 0.00 -1.26 -4.30 105.19 105.19 1lfm n GLY 84 Ca 0.05 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1lfm n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lfm s ILE 85 N -2.77 4.64 0.18 -0.61 -1.09 0.23 -4.95 121.20 116.83 1lfm s ILE 85 Ca 0.00 -0.05 0.05 0.00 -2.23 0.00 0.00 60.65 58.41 1lfm s ILE 85 Cb 0.00 -4.40 -0.13 0.00 -1.58 0.00 0.00 42.46 36.35 1lfm s ILE 85 CO 0.00 -0.92 1.42 0.11 -1.23 0.00 0.00 174.94 174.32 1lfm h LYS 86 N 9.13 0.13 -6.35 2.79 1.79 -1.85 -3.38 116.57 118.83 1lfm h LYS 86 Ca -0.27 -0.14 -0.55 0.00 -2.18 0.00 0.00 60.65 57.52 1lfm h LYS 86 Cb 1.08 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.75 1lfm h LYS 86 CO 1.01 0.88 0.51 0.15 -1.08 0.00 0.00 179.45 180.93 1lfm s LYS 87 N -3.26 4.47 0.19 3.15 -0.14 -1.26 -4.95 119.74 117.94 1lfm s LYS 87 Ca -0.02 1.49 -0.12 0.00 -1.36 0.00 0.00 55.97 55.96 1lfm s LYS 87 Cb 0.11 -3.49 0.17 0.00 -1.68 0.00 0.00 37.83 32.94 1lfm s LYS 87 CO 0.81 -0.23 1.80 -0.22 -0.76 0.00 0.00 175.35 176.76 1lfm h LYS 88 N 7.00 0.58 -0.39 1.68 3.64 -1.99 -1.16 116.57 125.94 1lfm h LYS 88 Ca -0.36 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1lfm h LYS 88 Cb 1.18 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1lfm h LYS 88 CO 0.81 0.39 0.23 0.78 -2.27 0.00 0.00 179.45 179.39 1lfm h GLY 89 N 0.60 0.54 1.12 5.01 0.00 -1.98 0.15 103.07 108.51 1lfm h GLY 89 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1lfm h GLY 89 CO -0.16 0.16 0.22 -2.09 0.00 0.00 0.00 176.54 174.68 1lfm h GLU 90 N 0.47 1.10 -0.47 4.80 4.81 -1.91 -1.59 114.58 121.80 1lfm h GLU 90 Ca 0.15 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1lfm h GLU 90 Cb -0.01 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1lfm h GLU 90 CO -0.06 0.94 0.16 0.00 -0.73 0.00 0.00 179.01 179.31 1lfm h ARG 91 N 1.06 0.72 -0.37 1.92 3.08 -0.64 -0.93 114.38 119.22 1lfm h ARG 91 Ca 0.23 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1lfm h ARG 91 Cb 0.30 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1lfm h ARG 91 CO -0.01 0.67 0.22 1.96 -1.07 0.00 0.00 179.97 181.74 1lfm h GLN 92 N 0.62 0.43 -0.58 0.04 4.20 -0.36 0.43 115.11 119.89 1lfm h GLN 92 Ca 0.15 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1lfm h GLN 92 Cb 0.24 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1lfm h GLN 92 CO -0.01 0.29 0.23 -0.44 -0.67 0.00 0.00 178.83 178.22 1lfm h ASP 93 N 0.44 0.81 -0.55 1.46 3.32 -1.13 -0.64 116.42 120.13 1lfm h ASP 93 Ca 0.15 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1lfm h ASP 93 Cb 0.00 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1lfm h ASP 93 CO -0.07 0.77 0.28 0.25 -1.72 0.00 0.00 179.24 178.75 1lfm h LEU 94 N 0.81 0.70 -0.90 1.55 5.85 -0.84 -0.64 115.31 121.84 1lfm h LEU 94 Ca 0.19 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1lfm h LEU 94 Cb 0.22 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1lfm h LEU 94 CO -0.01 0.61 0.07 0.58 -0.34 0.00 0.00 178.44 179.35 1lfm h VAL 95 N 0.73 1.24 -0.77 1.05 2.07 -0.61 -0.25 116.25 119.72 1lfm h VAL 95 Ca 0.19 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1lfm h VAL 95 Cb 0.08 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1lfm h VAL 95 CO -0.03 0.35 0.39 0.00 0.02 0.00 0.00 177.57 178.29 1lfm h ALA 96 N 1.24 1.22 -0.31 1.67 0.00 -0.57 -0.25 119.26 122.26 1lfm h ALA 96 Ca 0.17 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1lfm h ALA 96 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1lfm h ALA 96 CO 0.01 0.60 -0.05 -0.92 0.00 0.00 0.00 179.25 178.89 1lfm h TYR 97 N 1.09 0.66 -0.84 0.00 3.20 -0.51 -2.29 116.97 118.28 1lfm h TYR 97 Ca 0.27 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 62.03 1lfm h TYR 97 Cb 0.09 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 1lfm h TYR 97 CO 0.01 0.76 0.55 -0.07 -1.64 0.00 0.00 178.16 177.77 1lfm h LEU 98 N 0.37 0.92 -0.74 2.82 3.38 -0.65 0.14 115.31 121.55 1lfm h LEU 98 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1lfm h LEU 98 Cb 0.53 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1lfm h LEU 98 CO 0.03 0.65 0.37 0.50 0.09 0.00 0.00 178.44 180.07 1lfm h LYS 99 N 1.08 1.05 -0.32 1.13 3.64 -0.76 -2.11 116.57 120.28 1lfm h LYS 99 Ca 0.32 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 1lfm h LYS 99 Cb -0.03 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1lfm h LYS 99 CO -0.09 0.81 -0.40 1.03 -2.27 0.00 0.00 179.45 178.54 1lfm h SER 100 N 1.03 0.91 0.46 4.20 0.87 -0.83 -3.34 113.55 116.84 1lfm h SER 100 Ca 0.26 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1lfm h SER 100 Cb 0.10 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1lfm h SER 100 CO -0.03 1.22 -0.39 0.00 -0.53 0.00 0.00 176.83 177.09 1lfm n ALA 101 N -2.54 3.31 -0.42 6.23 0.00 -0.02 -4.05 120.51 123.03 1lfm n ALA 101 Ca -0.03 -0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.13 1lfm n ALA 101 Cb 0.55 -1.16 0.22 0.00 0.00 0.00 0.00 19.45 19.06 1lfm n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1lfm n THR 102 N -1.26 1.37 -1.97 0.00 -2.24 -0.80 -4.46 114.28 104.92 1lfm n THR 102 Ca 0.08 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1lfm n THR 102 Cb 0.34 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1lfm n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96