#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 6.27 0.19 1.61 -1.08 -1.26 -4.88 116.67 117.51 1lfm s ASP 2 Ca 0.00 -0.71 -0.12 0.00 -0.52 0.00 0.00 52.55 51.20 1lfm s ASP 2 Cb 0.00 -2.35 0.12 0.00 -1.46 0.00 0.00 42.92 39.23 1lfm s ASP 2 CO 0.00 -1.02 1.84 0.58 0.52 0.00 0.00 175.17 177.09 1lfm h VAL 3 N 5.92 1.12 -0.71 1.11 2.07 -1.89 0.21 116.25 124.08 1lfm h VAL 3 Ca -0.27 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1lfm h VAL 3 Cb 1.09 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1lfm h VAL 3 CO 1.01 0.14 0.30 0.00 0.02 0.00 0.00 177.57 179.04 1lfm h ALA 4 N 1.24 0.92 -0.48 1.67 0.00 -1.92 0.40 119.26 121.10 1lfm h ALA 4 Ca 0.23 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1lfm h ALA 4 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1lfm h ALA 4 CO -0.07 0.53 -0.11 0.87 0.00 0.00 0.00 179.25 180.47 1lfm h LYS 5 N 1.01 0.92 -0.42 0.00 1.57 -1.83 -2.95 116.57 114.88 1lfm h LYS 5 Ca 0.24 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1lfm h LYS 5 Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1lfm h LYS 5 CO -0.02 1.00 0.15 0.78 -0.57 0.00 0.00 179.45 180.78 1lfm h GLY 6 N 0.76 0.64 0.99 3.86 0.00 -0.45 -2.08 103.07 106.79 1lfm h GLY 6 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1lfm h GLY 6 CO 0.05 0.30 0.14 1.70 0.00 0.00 0.00 176.54 178.73 1lfm h LYS 7 N 0.59 0.31 -0.80 4.80 3.64 -0.78 0.11 116.57 124.44 1lfm h LYS 7 Ca 0.14 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1lfm h LYS 7 Cb 0.15 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1lfm h LYS 7 CO -0.01 0.23 0.39 0.87 -2.27 0.00 0.00 179.45 178.66 1lfm h LYS 8 N 0.30 1.16 -0.61 1.90 1.57 -1.32 -0.28 116.57 119.29 1lfm h LYS 8 Ca 0.08 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1lfm h LYS 8 Cb -0.01 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1lfm h LYS 8 CO -0.02 0.89 0.39 1.15 -0.57 0.00 0.00 179.45 181.29 1lfm h THR 9 N 1.14 1.17 -0.39 -0.16 2.02 -1.04 -0.80 112.91 114.84 1lfm h THR 9 Ca 0.28 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1lfm h THR 9 Cb 0.11 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 1lfm h THR 9 CO -0.04 0.16 0.22 0.15 0.37 0.00 0.00 175.52 176.39 1lfm h PHE 10 N 0.82 0.53 -0.85 3.16 3.04 -0.15 0.45 116.94 123.94 1lfm h PHE 10 Ca 0.22 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.14 1lfm h PHE 10 Cb -0.07 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.23 1lfm h PHE 10 CO -0.03 0.40 0.45 0.28 -2.02 0.00 0.00 178.31 177.39 1lfm h VAL 11 N 0.51 1.25 -0.28 1.41 2.07 -0.80 0.18 116.25 120.59 1lfm h VAL 11 Ca 0.14 -0.66 -0.19 0.00 0.82 0.00 0.00 66.70 66.81 1lfm h VAL 11 Cb 0.03 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1lfm h VAL 11 CO -0.02 0.29 -0.56 -0.61 0.02 0.00 0.00 177.57 176.69 1lfm h GLN 12 N 1.20 0.87 0.00 1.57 4.15 -0.76 -3.34 115.11 118.80 1lfm h GLN 12 Ca 0.30 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1lfm h GLN 12 Cb 0.06 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1lfm h GLN 12 CO -0.04 1.19 -0.84 1.63 -1.93 0.00 0.00 178.83 178.83 1lfm n LYS 13 N -4.00 2.44 0.00 1.69 5.02 0.12 -4.83 118.16 118.59 1lfm n LYS 13 Ca -0.04 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1lfm n LYS 13 Cb 0.63 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 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 2.60 0.00 0.00 0.00 -0.92 -0.01 119.26 120.94 1lfm h ALA 15 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1lfm h ALA 15 Cb 0.85 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1lfm h ALA 15 CO 0.00 -0.80 -0.00 -0.56 0.00 0.00 0.00 179.25 177.89 1lfm h GLN 16 N 0.03 0.00 0.00 0.00 -0.00 -1.86 -3.00 115.11 110.28 1lfm h GLN 16 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.98 1lfm h GLN 16 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.75 1lfm h GLN 16 CO -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.82 1lfm s HIS 18 N -0.04 -0.22 0.28 0.00 3.76 -0.74 -0.61 115.29 117.72 1lfm s HIS 18 Ca 0.00 0.41 0.10 0.00 -0.15 0.00 0.00 55.06 55.42 1lfm s HIS 18 Cb 0.00 0.10 -0.05 0.00 1.11 0.00 0.00 32.58 33.74 1lfm s HIS 18 CO 0.00 -0.33 -0.03 0.95 -0.85 0.00 0.00 174.74 174.48 1lfm s THR 19 N -0.93 3.20 -0.01 1.30 -4.23 -1.26 -4.29 115.64 109.42 1lfm s THR 19 Ca -0.10 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 1lfm s THR 19 Cb -0.05 -2.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.03 1lfm s THR 19 CO 0.03 -0.36 0.02 1.33 -0.54 0.00 0.00 174.62 175.10 1lfm n VAL 20 N -0.86 0.03 -1.40 2.29 0.24 -1.26 -1.29 118.33 116.08 1lfm n VAL 20 Ca -0.06 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.34 61.89 1lfm n VAL 20 Cb 0.59 0.00 0.08 0.00 -1.47 0.00 0.00 33.84 33.05 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 -2.07 2.37 0.02 7.34 -1.05 -1.26 -3.32 118.70 120.73 1lfm s GLU 21 Ca -0.01 1.28 -0.30 0.00 -0.15 0.00 0.00 54.97 55.79 1lfm s GLU 21 Cb 0.01 -1.90 -0.07 0.00 -0.44 0.00 0.00 34.13 31.72 1lfm s GLU 21 CO 0.05 -1.57 1.73 1.21 0.95 0.00 0.00 175.26 177.63 1lfm s ASN 22 N -3.05 6.59 0.00 0.83 2.47 -1.26 -1.10 114.94 119.42 1lfm s ASN 22 Ca 0.64 2.44 0.00 0.00 0.42 0.00 0.00 52.86 56.36 1lfm s ASN 22 Cb -0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1lfm s ASN 22 CO 0.51 -0.94 0.00 0.61 -3.72 0.00 0.00 177.10 173.56 1lfm n GLY 23 N 4.17 1.13 3.61 1.21 0.00 -1.26 -5.03 105.19 109.02 1lfm n GLY 23 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1lfm n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lfm n GLY 24 N -2.00 -0.51 3.86 -0.02 0.00 -0.26 -4.96 105.19 101.30 1lfm n GLY 24 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1lfm n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1lfm s LYS 25 N -3.43 3.83 0.07 1.61 -2.85 -1.26 -4.75 119.74 112.96 1lfm s LYS 25 Ca 0.72 0.65 -0.27 0.00 -1.00 0.00 0.00 55.97 56.07 1lfm s LYS 25 Cb -0.33 -2.28 -0.05 0.00 -2.06 0.00 0.00 37.83 33.10 1lfm s LYS 25 CO 0.52 -0.15 0.86 -1.01 0.10 0.00 0.00 175.35 175.67 1lfm s HIS 26 N -2.50 3.76 0.00 1.78 3.76 -1.26 -4.21 115.29 116.62 1lfm s HIS 26 Ca 0.54 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 57.07 1lfm s HIS 26 Cb -0.10 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1lfm s HIS 26 CO 0.32 0.22 0.00 1.63 -0.85 0.00 0.00 174.74 176.06 1lfm n LYS 27 N 2.90 0.61 -0.21 1.40 5.02 -1.26 -4.95 118.16 121.68 1lfm n LYS 27 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1lfm n LYS 27 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.55 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 1.14 -0.82 -0.18 2.07 -1.80 -3.43 116.25 113.22 1lfm h VAL 28 Ca 0.00 -0.27 -0.56 0.00 0.82 0.00 0.00 66.70 66.69 1lfm h VAL 28 Cb 0.00 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.01 1lfm h VAL 28 CO 0.00 0.14 -0.32 -0.83 0.02 0.00 0.00 177.57 176.58 1lfm s GLY 29 N -2.75 2.31 0.41 2.17 0.00 0.22 -5.08 107.32 104.60 1lfm s GLY 29 Ca -0.13 -1.47 -0.24 0.00 0.00 0.00 0.00 44.72 42.88 1lfm s GLY 29 CO 0.75 -1.89 1.06 2.56 0.00 0.00 0.00 173.10 175.59 1lfm s PRO 30 N -4.24 4.08 0.47 2.90 0.04 -1.26 -4.63 135.00 132.36 1lfm s PRO 30 Ca 0.38 1.53 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 1lfm s PRO 30 Cb -0.02 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 1lfm s PRO 30 CO 0.23 -0.22 1.28 -1.71 0.04 0.00 0.00 177.00 176.62 1lfm n ASN 31 N -0.21 2.49 -1.04 6.66 2.85 -1.26 -4.45 115.26 120.31 1lfm n ASN 31 Ca 0.06 1.05 0.08 0.00 -0.11 0.00 0.00 54.58 55.66 1lfm n ASN 31 Cb 0.50 -1.52 0.25 0.00 1.24 0.00 0.00 39.78 40.25 1lfm n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1lfm n LEU 32 N -0.21 3.66 -4.75 1.20 4.77 -0.41 -4.88 117.00 116.38 1lfm n LEU 32 Ca 0.08 -2.19 -0.41 0.00 -0.03 0.00 0.00 56.01 53.45 1lfm n LEU 32 Cb 0.42 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1lfm n LEU 32 CO 0.57 0.81 1.23 0.86 -1.33 0.00 0.00 177.39 179.53 1lfm s TRP 33 N -1.35 2.79 -0.02 -1.77 -0.11 -1.21 -1.90 118.94 115.37 1lfm s TRP 33 Ca 0.37 0.79 0.00 0.00 1.22 0.00 0.00 56.10 58.49 1lfm s TRP 33 Cb 0.22 -4.04 0.00 0.00 -1.50 0.00 0.00 33.47 28.15 1lfm s TRP 33 CO 0.21 -3.51 0.00 0.41 -4.62 0.00 0.00 176.95 169.45 1lfm n GLY 34 N 2.25 0.47 0.20 5.86 0.00 0.43 -4.95 105.19 109.45 1lfm n GLY 34 Ca 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 0.13 -9.79 0.99 5.85 -1.59 -3.41 115.31 107.49 1lfm h LEU 35 Ca -0.00 0.07 -0.51 0.00 0.84 0.00 0.00 57.88 58.27 1lfm h LEU 35 Cb 0.06 0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.19 1lfm h LEU 35 CO 0.01 0.10 0.55 -0.36 -0.34 0.00 0.00 178.44 178.40 1lfm s PHE 36 N -6.13 3.36 0.00 1.25 0.08 -1.26 -2.77 117.98 112.52 1lfm s PHE 36 Ca -0.13 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.44 1lfm s PHE 36 Cb 0.15 -3.46 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1lfm s PHE 36 CO 0.73 -1.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.08 1lfm n GLY 37 N 1.35 0.89 3.63 4.36 0.00 0.60 -5.00 105.19 111.02 1lfm n GLY 37 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.08 2.38 0.83 1.61 3.52 -1.11 -4.85 118.95 121.25 1lfm s ARG 38 Ca 0.00 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.60 1lfm s ARG 38 Cb 0.00 -2.44 0.09 0.00 -1.56 0.00 0.00 34.95 31.03 1lfm s ARG 38 CO 0.00 0.54 1.10 0.15 -0.81 0.00 0.00 175.30 176.28 1lfm s LYS 39 N -2.16 1.80 0.61 5.12 1.02 -1.26 -1.04 119.74 123.83 1lfm s LYS 39 Ca 0.23 1.20 -0.19 0.00 0.02 0.00 0.00 55.97 57.23 1lfm s LYS 39 Cb -0.11 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1lfm s LYS 39 CO 0.15 -1.97 1.27 0.95 -0.92 0.00 0.00 175.35 174.83 1lfm s THR 40 N -2.85 2.26 -0.96 2.17 -4.23 -0.69 -3.83 115.64 107.51 1lfm s THR 40 Ca 0.63 0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 61.25 1lfm s THR 40 Cb -0.19 -3.07 0.01 0.00 1.34 0.00 0.00 72.50 70.59 1lfm s THR 40 CO 0.57 -0.03 0.67 0.61 -0.54 0.00 0.00 174.62 175.90 1lfm n GLY 41 N 0.74 -0.08 0.26 3.99 0.00 -1.20 -4.66 105.19 104.23 1lfm n GLY 41 Ca 0.14 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.34 2.93 -2.05 1.61 1.13 -1.25 -4.78 117.38 111.62 1lfm n GLN 42 Ca -0.02 -1.74 -0.41 0.00 -1.94 0.00 0.00 57.00 52.89 1lfm n GLN 42 Cb 0.55 -1.12 -0.02 0.00 0.11 0.00 0.00 30.24 29.76 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 -1.04 3.59 0.20 -1.58 0.00 -1.26 -4.91 121.76 116.76 1lfm s ALA 43 Ca 0.10 1.30 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1lfm s ALA 43 Cb 0.05 -3.54 -0.10 0.00 0.00 0.00 0.00 23.12 19.54 1lfm s ALA 43 CO 0.06 -0.71 1.50 -2.00 0.00 0.00 0.00 175.76 174.61 1lfm s GLU 44 N -0.61 4.25 0.00 0.00 2.12 -1.26 -3.09 118.70 120.11 1lfm s GLU 44 Ca 0.57 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.21 1lfm s GLU 44 Cb -0.41 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1lfm s GLU 44 CO 0.45 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 1lfm n GLY 45 N 3.06 0.48 3.84 -1.50 0.00 -1.26 -5.01 105.19 104.79 1lfm n GLY 45 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.21 3.51 -0.62 1.61 5.04 -1.18 -5.05 117.35 118.44 1lfm s TYR 46 Ca 0.00 0.46 -0.18 0.00 -2.44 0.00 0.00 57.07 54.90 1lfm s TYR 46 Cb 0.00 -1.92 0.11 0.00 0.35 0.00 0.00 41.96 40.50 1lfm s TYR 46 CO 0.00 0.67 0.72 -1.12 -1.34 0.00 0.00 175.55 174.48 1lfm s SER 47 N -0.94 6.24 0.53 4.32 0.01 -1.26 -4.92 113.70 117.67 1lfm s SER 47 Ca 0.14 -1.56 -0.08 0.00 1.31 0.00 0.00 55.95 55.76 1lfm s SER 47 Cb -0.12 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1lfm s SER 47 CO 0.03 -1.07 0.89 -0.31 0.41 0.00 0.00 173.24 173.20 1lfm s TYR 48 N 2.48 3.58 0.83 2.43 2.02 -1.26 -5.06 117.35 122.36 1lfm s TYR 48 Ca 0.12 1.05 -0.11 0.00 -0.37 0.00 0.00 57.07 57.77 1lfm s TYR 48 Cb -0.23 -2.50 0.09 0.00 -0.40 0.00 0.00 41.96 38.92 1lfm s TYR 48 CO 0.04 -0.43 1.10 0.95 -1.57 0.00 0.00 175.55 175.65 1lfm s THR 49 N -2.88 2.93 0.38 -0.71 -4.23 -1.26 -4.87 115.64 105.01 1lfm s THR 49 Ca 0.51 0.30 0.06 0.00 -1.18 0.00 0.00 61.69 61.39 1lfm s THR 49 Cb -0.11 -2.68 0.22 0.00 1.34 0.00 0.00 72.50 71.28 1lfm s THR 49 CO 0.47 -0.40 1.98 0.44 -0.54 0.00 0.00 174.62 176.57 1lfm h ASP 50 N -1.38 0.48 -0.27 3.99 3.32 -1.97 -1.82 116.42 118.77 1lfm h ASP 50 Ca -0.45 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1lfm h ASP 50 Cb 1.25 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1lfm h ASP 50 CO 0.49 0.43 0.16 0.00 -1.72 0.00 0.00 179.24 178.61 1lfm h ALA 51 N 1.64 0.34 -0.06 3.45 0.00 -1.87 0.17 119.26 122.94 1lfm h ALA 51 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1lfm h ALA 51 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1lfm h ALA 51 CO -0.01 -0.16 -0.41 -0.97 0.00 0.00 0.00 179.25 177.70 1lfm h ASN 52 N 0.34 0.13 0.49 0.00 -0.00 -1.82 -1.44 115.58 113.27 1lfm h ASN 52 Ca 0.10 -0.05 -0.17 0.00 -0.00 0.00 0.00 56.30 56.17 1lfm h ASN 52 Cb 0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.28 1lfm h ASN 52 CO -0.02 0.53 -0.75 0.11 -0.00 0.00 0.00 177.43 177.30 1lfm h LYS 53 N 0.10 0.21 0.00 6.67 1.57 -0.84 -3.18 116.57 121.09 1lfm h LYS 53 Ca 0.01 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1lfm h LYS 53 Cb 0.78 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1lfm h LYS 53 CO 0.06 0.86 -0.65 0.43 -0.57 0.00 0.00 179.45 179.58 1lfm n SER 54 N -3.75 0.62 -0.24 0.86 7.64 0.55 -4.31 113.62 114.99 1lfm n SER 54 Ca -0.03 -0.38 0.04 0.00 1.01 0.00 0.00 58.87 59.51 1lfm n SER 54 Cb 0.72 0.45 0.16 0.00 -1.01 0.00 0.00 64.21 64.53 1lfm n SER 54 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1lfm h LYS 55 N 0.00 0.27 0.00 1.43 1.63 -1.38 -3.45 116.57 115.07 1lfm h LYS 55 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1lfm h LYS 55 Cb 0.53 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1lfm h LYS 55 CO 0.00 0.18 0.00 0.41 -3.45 0.00 0.00 179.45 176.59 1lfm n GLY 56 N -1.35 0.89 3.94 5.01 0.00 -1.26 -5.04 105.19 107.39 1lfm n GLY 56 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.36 3.70 -0.14 -0.61 -5.25 -1.26 -4.84 121.20 109.44 1lfm s ILE 57 Ca 0.00 -0.37 -0.15 0.00 -0.99 0.00 0.00 60.65 59.14 1lfm s ILE 57 Cb 0.00 -3.40 -0.05 0.00 2.95 0.00 0.00 42.46 41.96 1lfm s ILE 57 CO 0.00 -0.32 0.34 -0.69 -1.79 0.00 0.00 174.94 172.48 1lfm s VAL 58 N -2.72 5.27 0.05 8.37 1.01 -1.26 -1.70 120.40 129.42 1lfm s VAL 58 Ca 0.51 0.66 -0.31 0.00 0.00 0.00 0.00 61.98 62.84 1lfm s VAL 58 Cb -0.10 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 1lfm s VAL 58 CO 0.40 0.38 1.38 0.26 0.00 0.00 0.00 175.10 177.52 1lfm s TRP 59 N 0.44 3.07 0.08 5.22 0.23 -0.20 -4.73 118.94 123.04 1lfm s TRP 59 Ca 0.19 0.92 -0.02 0.00 -2.03 0.00 0.00 56.10 55.16 1lfm s TRP 59 Cb -0.14 -3.65 0.01 0.00 0.03 0.00 0.00 33.47 29.72 1lfm s TRP 59 CO 0.06 -2.31 0.14 0.27 0.96 0.00 0.00 176.95 176.07 1lfm n ASN 60 N 4.64 -0.41 -0.09 2.95 0.23 -1.26 -0.29 115.26 121.04 1lfm n ASN 60 Ca 0.12 -1.37 -0.07 0.00 -0.53 0.00 0.00 54.58 52.73 1lfm n ASN 60 Cb 0.43 0.70 0.00 0.00 -2.08 0.00 0.00 39.78 38.84 1lfm n ASN 60 CO 0.00 0.00 0.00 -1.13 -0.93 0.00 0.00 177.26 175.20 1lfm h ASN 61 N 0.42 0.05 0.07 0.53 -1.24 -1.99 -0.62 115.58 112.80 1lfm h ASN 61 Ca -0.07 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1lfm h ASN 61 Cb 0.26 0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1lfm h ASN 61 CO 0.09 0.06 -0.06 -0.78 -1.29 0.00 0.00 177.43 175.45 1lfm h ASP 62 N 0.20 -0.15 0.24 1.15 1.82 -1.97 -1.05 116.42 116.67 1lfm h ASP 62 Ca 0.14 0.01 -0.18 0.00 -0.39 0.00 0.00 57.03 56.62 1lfm h ASP 62 Cb 0.14 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1lfm h ASP 62 CO -0.18 -0.09 -0.71 0.71 -1.61 0.00 0.00 179.24 177.36 1lfm h THR 63 N -0.14 1.37 -0.38 2.25 1.35 -1.81 -2.74 112.91 112.81 1lfm h THR 63 Ca -0.00 -2.10 -0.14 0.00 -0.55 0.00 0.00 66.41 63.62 1lfm h THR 63 Cb 0.13 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 1lfm h THR 63 CO -0.01 0.63 -0.31 -0.07 -0.25 0.00 0.00 175.52 175.52 1lfm h LEU 64 N 0.28 0.86 -1.01 3.87 3.38 -1.09 0.31 115.31 121.91 1lfm h LEU 64 Ca -0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1lfm h LEU 64 Cb 1.28 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1lfm h LEU 64 CO 0.12 1.09 0.50 0.24 0.09 0.00 0.00 178.44 180.49 1lfm h MET 65 N 0.69 1.19 -0.07 1.13 2.86 -1.13 0.13 114.93 119.73 1lfm h MET 65 Ca 0.08 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1lfm h MET 65 Cb 0.85 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1lfm h MET 65 CO 0.07 0.85 -0.13 1.49 1.06 0.00 0.00 176.91 180.25 1lfm h GLU 66 N 1.20 0.22 -0.20 1.72 4.81 -1.20 -3.15 114.58 117.98 1lfm h GLU 66 Ca 0.31 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1lfm h GLU 66 Cb -0.02 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1lfm h GLU 66 CO -0.05 0.72 0.04 -0.92 -0.73 0.00 0.00 179.01 178.06 1lfm h TYR 67 N -0.26 0.06 0.00 0.92 5.03 -0.73 -2.81 116.97 119.18 1lfm h TYR 67 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1lfm h TYR 67 Cb 0.71 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1lfm h TYR 67 CO 0.11 0.02 0.00 -0.07 -1.32 0.00 0.00 178.16 176.90 1lfm h LEU 68 N 0.12 0.00 -0.84 2.82 3.38 -1.05 -1.38 115.31 118.36 1lfm h LEU 68 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1lfm h LEU 68 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1lfm h LEU 68 CO -0.12 0.00 -0.49 -0.08 0.09 0.00 0.00 178.44 177.84 1lfm h GLU 69 N 0.00 0.22 -0.83 1.13 4.81 -1.45 0.88 114.58 119.34 1lfm h GLU 69 Ca 0.00 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1lfm h GLU 69 Cb 0.31 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.52 1lfm h GLU 69 CO 0.00 0.67 -0.39 1.21 -0.73 0.00 0.00 179.01 179.77 1lfm s ASN 70 N -6.88 -1.27 0.15 1.04 3.84 -0.66 -4.22 114.94 106.94 1lfm s ASN 70 Ca -0.04 -0.82 -0.18 0.00 0.21 0.00 0.00 52.86 52.03 1lfm s ASN 70 Cb 0.13 1.63 0.06 0.00 -0.55 0.00 0.00 41.25 42.52 1lfm s ASN 70 CO 0.78 -0.12 1.68 -0.65 -2.79 0.00 0.00 177.10 176.00 1lfm h PRO 71 N 6.28 0.01 0.00 0.43 0.11 -1.49 -2.49 132.00 134.85 1lfm h PRO 71 Ca 0.03 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 1lfm h PRO 71 Cb 1.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1lfm h PRO 71 CO 0.05 0.01 -0.22 1.57 -0.21 0.00 0.00 178.00 179.19 1lfm h LYS 72 N 0.01 0.00 -0.38 1.05 2.10 -1.83 0.71 116.57 118.23 1lfm h LYS 72 Ca 0.16 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.67 1lfm h LYS 72 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1lfm h LYS 72 CO -0.34 0.22 -0.33 -0.22 -2.00 0.00 0.00 179.45 176.78 1lfm h LYS 73 N 0.00 0.89 0.02 0.07 3.64 -1.83 -2.16 116.57 117.20 1lfm h LYS 73 Ca -0.00 -0.46 -0.25 0.00 -1.27 0.00 0.00 60.65 58.67 1lfm h LYS 73 Cb 0.54 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1lfm h LYS 73 CO 0.03 1.10 -1.03 -0.92 -2.27 0.00 0.00 179.45 176.36 1lfm h TYR 74 N 0.70 0.81 -2.73 1.91 3.20 -1.15 -3.38 116.97 116.34 1lfm h TYR 74 Ca 0.06 -0.46 -0.61 0.00 3.14 0.00 0.00 58.73 60.87 1lfm h TYR 74 Cb 0.92 -0.09 -0.41 0.00 1.54 0.00 0.00 36.73 38.70 1lfm h TYR 74 CO 0.06 1.29 -0.69 -0.89 -1.64 0.00 0.00 178.16 176.29 1lfm n ILE 75 N -3.78 1.04 -1.73 1.81 5.41 0.21 -5.07 119.36 117.24 1lfm n ILE 75 Ca -0.09 -4.58 -0.42 0.00 1.00 0.00 0.00 62.75 58.66 1lfm n ILE 75 Cb 0.88 -2.05 -0.02 0.00 -0.71 0.00 0.00 39.64 37.74 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 1.92 2.66 -0.19 0.38 -0.04 -0.81 -1.27 135.00 137.65 1lfm n PRO 76 Ca 0.24 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 1lfm n PRO 76 Cb 0.40 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 2.72 0.72 3.75 0.55 0.00 -1.26 -4.81 105.19 106.85 1lfm n GLY 77 Ca 0.11 0.00 -0.36 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 -2.48 2.55 -2.30 2.61 -1.32 -0.39 -4.81 115.64 109.50 1lfm s THR 78 Ca 0.00 0.35 0.22 0.00 -1.21 0.00 0.00 61.69 61.05 1lfm s THR 78 Cb 0.00 -3.14 0.49 0.00 -1.51 0.00 0.00 72.50 68.34 1lfm s THR 78 CO 0.00 -0.07 1.45 2.29 -2.21 0.00 0.00 174.62 176.08 1lfm n LYS 79 N -1.59 2.47 -2.70 7.08 2.85 -1.26 -4.77 118.16 120.24 1lfm n LYS 79 Ca 0.14 -2.24 -0.43 0.00 -1.05 0.00 0.00 58.31 54.72 1lfm n LYS 79 Cb 0.49 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.38 3.57 -0.66 -1.58 1.75 -1.26 -4.96 119.30 114.78 1lfm s MET 80 Ca 0.41 0.27 -0.15 0.00 -1.25 0.00 0.00 55.69 54.96 1lfm s MET 80 Cb 0.23 -3.95 0.16 0.00 2.84 0.00 0.00 34.83 34.11 1lfm s MET 80 CO 0.31 -1.40 0.62 0.42 -0.65 0.00 0.00 175.02 174.32 1lfm s ILE 81 N 4.25 5.35 -0.28 10.11 -1.09 -1.26 -4.77 121.20 133.51 1lfm s ILE 81 Ca 0.41 -1.86 -0.17 0.00 -2.23 0.00 0.00 60.65 56.80 1lfm s ILE 81 Cb -0.09 -4.40 0.08 0.00 -1.58 0.00 0.00 42.46 36.47 1lfm s ILE 81 CO 0.27 -0.95 0.70 0.12 -1.23 0.00 0.00 174.94 173.86 1lfm s PHE 82 N 1.09 -1.02 0.32 3.97 2.19 -1.26 -5.08 117.98 118.18 1lfm s PHE 82 Ca 0.09 2.09 0.16 0.00 0.33 0.00 0.00 56.93 59.61 1lfm s PHE 82 Cb -0.22 0.59 0.77 0.00 -1.31 0.00 0.00 43.02 42.85 1lfm s PHE 82 CO -0.02 -0.51 1.81 0.00 1.83 0.00 0.00 175.22 178.34 1lfm h ALA 83 N 6.73 1.23 0.00 11.12 0.00 -1.96 -3.39 119.26 132.99 1lfm h ALA 83 Ca -0.30 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1lfm h ALA 83 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1lfm h ALA 83 CO 0.15 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1lfm n GLY 84 N -0.25 3.09 3.47 0.00 0.00 -1.26 -4.34 105.19 105.90 1lfm n GLY 84 Ca -0.01 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.92 5.06 0.13 -0.61 -1.09 0.30 -4.96 121.20 117.12 1lfm s ILE 85 Ca 0.00 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 1lfm s ILE 85 Cb 0.00 -4.08 -0.20 0.00 -1.58 0.00 0.00 42.46 36.60 1lfm s ILE 85 CO 0.00 -0.49 1.29 0.11 -1.23 0.00 0.00 174.94 174.63 1lfm h LYS 86 N 8.77 0.16 -6.27 2.79 1.79 -1.85 -3.37 116.57 118.58 1lfm h LYS 86 Ca -0.27 -0.22 -0.56 0.00 -2.18 0.00 0.00 60.65 57.43 1lfm h LYS 86 Cb 1.11 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.80 1lfm h LYS 86 CO 0.82 1.03 0.71 0.15 -1.08 0.00 0.00 179.45 181.08 1lfm s LYS 87 N -2.93 4.35 0.22 3.15 1.02 -1.26 -4.93 119.74 119.35 1lfm s LYS 87 Ca -0.02 1.60 -0.08 0.00 0.02 0.00 0.00 55.97 57.49 1lfm s LYS 87 Cb 0.09 -3.58 0.31 0.00 -0.52 0.00 0.00 37.83 34.13 1lfm s LYS 87 CO 0.84 -0.46 1.77 -0.22 -0.92 0.00 0.00 175.35 176.36 1lfm h LYS 88 N 7.48 0.54 -0.71 1.68 3.64 -1.99 -1.19 116.57 126.02 1lfm h LYS 88 Ca -0.32 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1lfm h LYS 88 Cb 1.15 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1lfm h LYS 88 CO 0.89 0.36 0.31 0.78 -2.27 0.00 0.00 179.45 179.52 1lfm h GLY 89 N 0.56 1.10 1.24 5.01 0.00 -1.98 0.48 103.07 109.48 1lfm h GLY 89 Ca 0.33 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.98 1lfm h GLY 89 CO -0.27 0.53 -0.22 -2.09 0.00 0.00 0.00 176.54 174.50 1lfm h GLU 90 N 1.01 0.87 -0.38 4.80 4.81 -1.87 -1.50 114.58 122.33 1lfm h GLU 90 Ca 0.24 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 59.03 1lfm h GLU 90 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1lfm h GLU 90 CO -0.03 1.00 -0.09 -0.09 -0.73 0.00 0.00 179.01 179.08 1lfm h ARG 91 N 0.76 0.73 -0.67 1.92 2.43 -0.73 -1.26 114.38 117.56 1lfm h ARG 91 Ca 0.10 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1lfm h ARG 91 Cb 0.76 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1lfm h ARG 91 CO 0.06 0.88 0.29 0.37 -1.51 0.00 0.00 179.97 180.06 1lfm h GLN 92 N 0.54 0.99 -0.68 0.20 5.75 -0.70 0.78 115.11 121.99 1lfm h GLN 92 Ca 0.10 -0.17 -0.08 0.00 -0.15 0.00 0.00 58.65 58.35 1lfm h GLN 92 Cb 0.61 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1lfm h GLN 92 CO 0.04 0.81 0.12 -0.44 -2.65 0.00 0.00 178.83 176.71 1lfm h ASP 93 N 0.94 1.06 -0.44 -0.69 3.32 -1.19 0.14 116.42 119.57 1lfm h ASP 93 Ca 0.23 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1lfm h ASP 93 Cb 0.17 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1lfm h ASP 93 CO -0.02 1.05 0.20 0.25 -1.72 0.00 0.00 179.24 179.00 1lfm h LEU 94 N 1.04 0.59 -1.01 1.55 5.85 -0.74 -1.58 115.31 121.01 1lfm h LEU 94 Ca 0.21 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1lfm h LEU 94 Cb 0.43 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1lfm h LEU 94 CO 0.01 0.57 0.58 0.58 -0.34 0.00 0.00 178.44 179.83 1lfm h VAL 95 N 0.57 1.25 -0.66 1.05 2.07 -0.57 0.20 116.25 120.16 1lfm h VAL 95 Ca 0.15 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1lfm h VAL 95 Cb 0.14 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1lfm h VAL 95 CO -0.02 0.26 0.41 0.00 0.02 0.00 0.00 177.57 178.24 1lfm h ALA 96 N 1.36 0.86 -0.28 1.67 0.00 -0.50 -0.35 119.26 122.02 1lfm h ALA 96 Ca 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1lfm h ALA 96 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1lfm h ALA 96 CO -0.07 0.16 0.07 -0.92 0.00 0.00 0.00 179.25 178.50 1lfm h TYR 97 N 0.80 0.48 -0.60 0.00 3.20 -0.71 -1.71 116.97 118.42 1lfm h TYR 97 Ca 0.27 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.12 1lfm h TYR 97 Cb 0.03 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1lfm h TYR 97 CO -0.05 0.52 0.35 -0.07 -1.64 0.00 0.00 178.16 177.27 1lfm h LEU 98 N 0.29 0.55 -0.95 2.82 3.38 -0.53 0.12 115.31 121.00 1lfm h LEU 98 Ca 0.09 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1lfm h LEU 98 Cb 0.28 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1lfm h LEU 98 CO 0.00 0.38 0.62 0.50 0.09 0.00 0.00 178.44 180.03 1lfm h LYS 99 N 0.68 1.20 -0.13 1.13 3.64 -0.87 -1.63 116.57 120.59 1lfm h LYS 99 Ca 0.25 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.37 1lfm h LYS 99 Cb 0.08 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1lfm h LYS 99 CO -0.13 0.79 -0.70 0.66 -2.27 0.00 0.00 179.45 177.81 1lfm h SER 100 N 1.24 0.66 0.49 4.20 4.64 -0.49 -3.33 113.55 120.96 1lfm h SER 100 Ca 0.36 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1lfm h SER 100 Cb -0.07 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.83 1lfm h SER 100 CO -0.10 1.17 -0.46 0.00 -0.87 0.00 0.00 176.83 176.57 1lfm n ALA 101 N -2.54 3.47 -0.45 5.18 0.00 0.33 -4.14 120.51 122.35 1lfm n ALA 101 Ca -0.05 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.12 1lfm n ALA 101 Cb 0.69 -1.13 0.24 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.42 1.42 -1.76 0.00 -2.24 -0.64 -4.48 114.28 105.16 1lfm n THR 102 Ca 0.06 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1lfm n THR 102 Cb 0.34 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1lfm n THR 102 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96