#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nbs s ASP 2 N 0.00 6.26 0.13 1.61 -1.08 -1.26 -4.93 116.67 117.41 3nbs s ASP 2 Ca 0.00 -1.02 -0.29 0.00 -0.52 0.00 0.00 52.55 50.72 3nbs s ASP 2 Cb 0.00 -2.48 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 3nbs s ASP 2 CO 0.00 -1.52 1.59 0.58 0.52 0.00 0.00 175.17 176.34 3nbs h VAL 3 N 6.07 0.17 -0.63 1.11 2.07 -2.05 -0.97 116.25 122.02 3nbs h VAL 3 Ca -0.17 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.47 3nbs h VAL 3 Cb 1.05 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.87 3nbs h VAL 3 CO 1.23 0.00 -0.17 -0.08 0.02 0.00 0.00 177.57 178.57 3nbs h GLU 4 N -0.53 -0.01 -0.76 1.57 4.81 -2.00 0.48 114.58 118.15 3nbs h GLU 4 Ca 0.06 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3nbs h GLU 4 Cb 0.63 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3nbs h GLU 4 CO -0.34 -0.01 0.28 0.87 -0.73 0.00 0.00 179.01 179.08 3nbs h LYS 5 N -0.01 1.15 -0.56 1.92 1.57 -1.92 -2.75 116.57 115.97 3nbs h LYS 5 Ca 0.30 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3nbs h LYS 5 Cb 0.47 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3nbs h LYS 5 CO -0.66 0.95 0.37 0.78 -0.57 0.00 0.00 179.45 180.32 3nbs h GLY 6 N 1.11 0.78 0.43 3.86 0.00 0.89 -2.30 103.07 107.84 3nbs h GLY 6 Ca 0.25 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.34 3nbs h GLY 6 CO -0.02 0.29 -0.05 1.70 0.00 0.00 0.00 176.54 178.47 3nbs h LYS 7 N 0.75 0.03 -0.20 4.80 3.64 0.05 -1.09 116.57 124.56 3nbs h LYS 7 Ca 0.20 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3nbs h LYS 7 Cb -0.08 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 3nbs h LYS 7 CO -0.04 0.02 0.09 -0.22 -2.27 0.00 0.00 179.45 177.03 3nbs h LYS 8 N 0.03 0.19 -0.61 1.90 3.64 -1.29 -1.10 116.57 119.34 3nbs h LYS 8 Ca 0.15 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 3nbs h LYS 8 Cb 0.22 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3nbs h LYS 8 CO -0.29 0.13 0.35 0.82 -2.27 0.00 0.00 179.45 178.18 3nbs h ILE 9 N 0.20 1.01 -0.12 2.00 2.04 -1.06 0.33 117.51 121.90 3nbs h ILE 9 Ca 0.08 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3nbs h ILE 9 Cb 0.03 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3nbs h ILE 9 CO -0.07 0.12 0.07 0.15 0.00 0.00 0.00 178.15 178.43 3nbs h PHE 10 N 0.67 0.17 -0.49 1.37 3.57 -0.90 0.36 116.94 121.69 3nbs h PHE 10 Ca 0.26 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3nbs h PHE 10 Cb 0.10 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3nbs h PHE 10 CO -0.07 0.18 0.29 0.28 -2.23 0.00 0.00 178.31 176.76 3nbs h VAL 11 N 0.11 1.04 0.00 1.41 2.07 -0.80 0.98 116.25 121.07 3nbs h VAL 11 Ca 0.04 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3nbs h VAL 11 Cb 0.07 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3nbs h VAL 11 CO -0.01 0.10 -0.35 0.06 0.02 0.00 0.00 177.57 177.39 3nbs h GLN 12 N 0.57 0.00 -0.00 1.57 3.07 -0.75 -3.36 115.11 116.22 3nbs h GLN 12 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.94 3nbs h GLN 12 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.58 3nbs h GLN 12 CO -0.09 0.35 -0.02 1.63 0.09 0.00 0.00 178.83 180.79 3nbs n LYS 13 N -3.20 6.57 0.00 0.06 4.76 0.12 -4.91 118.16 121.56 3nbs n LYS 13 Ca 0.02 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 3nbs n LYS 13 Cb 0.67 -0.54 0.00 0.00 -1.84 0.00 0.00 35.03 33.32 3nbs n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3nbs h ALA 15 N 0.00 2.08 -1.11 0.00 0.00 -0.95 0.88 119.26 120.16 3nbs h ALA 15 Ca 0.00 0.17 0.32 0.00 0.00 0.00 0.00 54.91 55.40 3nbs h ALA 15 Cb 0.55 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3nbs h ALA 15 CO 0.00 -0.68 0.80 -0.56 0.00 0.00 0.00 179.25 178.81 3nbs h GLN 16 N 0.30 0.01 0.00 0.00 -0.00 -1.85 -2.81 115.11 110.75 3nbs h GLN 16 Ca 0.74 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.39 3nbs h GLN 16 Cb 1.78 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.26 3nbs h GLN 16 CO -0.56 0.00 -0.60 0.00 -0.00 0.00 0.00 178.83 177.67 3nbs s HIS 18 N -1.49 1.34 0.12 0.00 3.76 -0.05 -0.08 115.29 118.88 3nbs s HIS 18 Ca 0.00 -0.31 0.09 0.00 -0.15 0.00 0.00 55.06 54.69 3nbs s HIS 18 Cb 0.00 -0.83 -0.04 0.00 1.11 0.00 0.00 32.58 32.82 3nbs s HIS 18 CO 0.00 0.02 -0.19 0.95 -0.85 0.00 0.00 174.74 174.67 3nbs s THR 19 N -0.61 2.80 -0.13 1.30 -4.23 -1.26 -3.89 115.64 109.61 3nbs s THR 19 Ca 0.04 -1.51 0.07 0.00 -1.18 0.00 0.00 61.69 59.11 3nbs s THR 19 Cb -0.07 -2.28 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 3nbs s THR 19 CO 0.00 0.11 0.21 1.33 -0.54 0.00 0.00 174.62 175.73 3nbs n VAL 20 N 0.83 0.00 -1.94 2.29 0.24 -1.26 -1.31 118.33 117.18 3nbs n VAL 20 Ca -0.16 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.34 61.52 3nbs n VAL 20 Cb 0.53 0.61 0.02 0.00 -1.47 0.00 0.00 33.84 33.52 3nbs n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3nbs s GLU 21 N -2.14 3.55 0.30 7.34 8.01 -1.26 -3.41 118.70 131.10 3nbs s GLU 21 Ca -0.00 2.16 -0.29 0.00 0.01 0.00 0.00 54.97 56.84 3nbs s GLU 21 Cb 0.05 -2.48 -0.11 0.00 -4.31 0.00 0.00 34.13 27.28 3nbs s GLU 21 CO 0.28 -0.83 1.48 0.21 0.01 0.00 0.00 175.26 176.40 3nbs s LYS 22 N -2.62 4.21 0.00 1.61 2.20 -1.26 -0.25 119.74 123.63 3nbs s LYS 22 Ca 0.65 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.68 3nbs s LYS 22 Cb -0.38 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 3nbs s LYS 22 CO 0.47 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.40 3nbs n GLY 23 N 1.67 2.28 3.69 5.54 0.00 -1.26 -4.99 105.19 112.12 3nbs n GLY 23 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3nbs n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nbs n GLY 24 N -2.00 0.26 3.82 -0.02 0.00 0.66 -4.97 105.19 102.94 3nbs n GLY 24 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3nbs n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nbs s LYS 25 N -3.04 3.08 0.24 1.61 1.02 -1.26 -4.76 119.74 116.63 3nbs s LYS 25 Ca 0.78 0.99 -0.19 0.00 0.02 0.00 0.00 55.97 57.57 3nbs s LYS 25 Cb -0.40 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 34.81 3nbs s LYS 25 CO 0.44 -0.99 0.74 -1.01 -0.92 0.00 0.00 175.35 173.61 3nbs s HIS 26 N -2.93 3.60 0.00 3.18 3.76 -1.26 -4.21 115.29 117.43 3nbs s HIS 26 Ca 0.59 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.87 3nbs s HIS 26 Cb -0.14 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.93 3nbs s HIS 26 CO 0.51 0.29 0.00 1.63 -0.85 0.00 0.00 174.74 176.32 3nbs n LYS 27 N 0.52 0.98 -0.25 1.40 5.02 -1.26 -4.95 118.16 119.63 3nbs n LYS 27 Ca -0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 3nbs n LYS 27 Cb 0.51 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.70 3nbs n LYS 27 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3nbs h THR 28 N 0.00 1.23 -1.23 -0.18 2.02 -1.83 -3.42 112.91 109.49 3nbs h THR 28 Ca 0.00 -0.54 -0.52 0.00 0.77 0.00 0.00 66.41 66.12 3nbs h THR 28 Cb 0.00 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.53 3nbs h THR 28 CO 0.00 0.25 -0.34 -0.83 0.37 0.00 0.00 175.52 174.97 3nbs s GLY 29 N -3.35 2.17 0.31 2.16 0.00 0.88 -5.05 107.32 104.44 3nbs s GLY 29 Ca -0.11 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 42.68 3nbs s GLY 29 CO 0.80 -1.76 0.73 2.56 0.00 0.00 0.00 173.10 175.44 3nbs s PRO 30 N -4.21 4.03 0.44 2.90 0.04 -1.26 -4.66 135.00 132.28 3nbs s PRO 30 Ca 0.46 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.94 3nbs s PRO 30 Cb -0.03 -2.48 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 3nbs s PRO 30 CO 0.27 0.18 1.10 -1.71 0.04 0.00 0.00 177.00 176.88 3nbs n ASN 31 N -0.26 1.69 -0.59 6.66 2.85 -1.26 -4.52 115.26 119.83 3nbs n ASN 31 Ca 0.03 1.04 0.06 0.00 -0.11 0.00 0.00 54.58 55.60 3nbs n ASN 31 Cb 0.53 -1.41 0.10 0.00 1.24 0.00 0.00 39.78 40.24 3nbs n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3nbs n LEU 32 N 0.25 2.45 -4.72 1.20 4.77 -0.43 -4.98 117.00 115.54 3nbs n LEU 32 Ca 0.09 -1.42 -0.42 0.00 -0.03 0.00 0.00 56.01 54.23 3nbs n LEU 32 Cb 0.40 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3nbs n LEU 32 CO 0.57 0.54 1.24 1.57 -1.33 0.00 0.00 177.39 179.98 3nbs n HIS 33 N 0.67 2.71 -0.74 -1.77 -0.00 -1.22 -1.55 115.22 113.31 3nbs n HIS 33 Ca 0.10 0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.50 3nbs n HIS 33 Cb 0.37 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.64 3nbs n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3nbs n GLY 34 N 2.67 0.92 0.33 1.57 0.00 -1.26 -4.96 105.19 104.45 3nbs n GLY 34 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 3nbs n GLY 34 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3nbs n LEU 35 N 0.00 -0.45 -4.64 0.99 7.94 -0.60 -4.39 117.00 115.85 3nbs n LEU 35 Ca 0.00 1.52 -0.42 0.00 -1.11 0.00 0.00 56.01 56.00 3nbs n LEU 35 Cb 0.00 -0.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.52 3nbs n LEU 35 CO 0.00 -1.41 1.58 -0.36 -1.11 0.00 0.00 177.39 176.09 3nbs s PHE 36 N -5.97 1.48 0.00 1.96 0.40 -1.26 -1.66 117.98 112.92 3nbs s PHE 36 Ca -0.13 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3nbs s PHE 36 Cb 0.21 -4.09 0.00 0.00 0.51 0.00 0.00 43.02 39.64 3nbs s PHE 36 CO 0.66 -4.65 0.00 0.41 0.70 0.00 0.00 175.22 172.33 3nbs n GLY 37 N 4.73 0.50 3.63 4.36 0.00 0.09 -5.02 105.19 113.48 3nbs n GLY 37 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3nbs n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3nbs s ARG 38 N -0.85 2.80 0.89 1.61 3.52 -0.67 -4.87 118.95 121.37 3nbs s ARG 38 Ca 0.00 -0.54 -0.11 0.00 -0.13 0.00 0.00 55.73 54.95 3nbs s ARG 38 Cb 0.00 -2.65 0.12 0.00 -1.56 0.00 0.00 34.95 30.86 3nbs s ARG 38 CO 0.00 0.66 1.10 0.15 -0.81 0.00 0.00 175.30 176.40 3nbs s LYS 39 N -1.05 1.31 0.47 5.12 -0.14 -1.26 -2.33 119.74 121.86 3nbs s LYS 39 Ca 0.15 1.18 -0.23 0.00 -1.36 0.00 0.00 55.97 55.70 3nbs s LYS 39 Cb -0.11 -1.79 -0.07 0.00 -1.68 0.00 0.00 37.83 34.18 3nbs s LYS 39 CO 0.04 -2.31 1.28 0.95 -0.76 0.00 0.00 175.35 174.55 3nbs s THR 40 N -2.79 2.58 -1.77 2.17 -4.23 -1.10 -3.46 115.64 107.05 3nbs s THR 40 Ca 0.64 0.46 -0.01 0.00 -1.18 0.00 0.00 61.69 61.61 3nbs s THR 40 Cb -0.20 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3nbs s THR 40 CO 0.58 0.02 0.07 0.61 -0.54 0.00 0.00 174.62 175.35 3nbs n GLY 41 N 0.61 -0.50 1.17 3.99 0.00 -1.24 -4.71 105.19 104.51 3nbs n GLY 41 Ca 0.07 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3nbs n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3nbs n GLN 42 N -3.12 2.82 -2.30 1.61 1.13 -1.22 -4.84 117.38 111.46 3nbs n GLN 42 Ca -0.23 -2.52 -0.43 0.00 -1.94 0.00 0.00 57.00 51.88 3nbs n GLN 42 Cb 0.68 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.50 3nbs n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3nbs s ALA 43 N -1.06 3.10 0.25 -1.58 0.00 -1.26 -4.96 121.76 116.25 3nbs s ALA 43 Ca 0.42 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 3nbs s ALA 43 Cb 0.22 -3.92 -0.13 0.00 0.00 0.00 0.00 23.12 19.30 3nbs s ALA 43 CO 0.28 -2.28 1.42 -2.30 0.00 0.00 0.00 175.76 172.88 3nbs n PRO 44 N 7.96 2.12 -0.95 0.00 -0.02 -1.26 -2.64 135.00 140.21 3nbs n PRO 44 Ca 0.17 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3nbs n PRO 44 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3nbs n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nbs n GLY 45 N 2.04 0.49 3.23 -1.23 0.00 -1.26 -5.05 105.19 103.42 3nbs n GLY 45 Ca 0.11 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 3nbs n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3nbs s PHE 46 N -2.00 1.99 -0.51 1.61 5.36 -1.08 -5.06 117.98 118.29 3nbs s PHE 46 Ca 0.00 -0.41 -0.18 0.00 -0.96 0.00 0.00 56.93 55.38 3nbs s PHE 46 Cb 0.00 -1.29 0.07 0.00 -0.34 0.00 0.00 43.02 41.47 3nbs s PHE 46 CO 0.00 -0.06 0.58 0.99 -1.46 0.00 0.00 175.22 175.27 3nbs s THR 47 N -0.44 4.97 0.49 0.12 2.01 -1.26 -4.93 115.64 116.61 3nbs s THR 47 Ca 0.06 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 3nbs s THR 47 Cb -0.09 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 3nbs s THR 47 CO -0.00 -0.81 0.76 -0.31 -0.69 0.00 0.00 174.62 173.56 3nbs s TYR 48 N 2.34 3.30 0.75 4.92 2.02 -1.26 -5.08 117.35 124.35 3nbs s TYR 48 Ca 0.11 0.46 -0.11 0.00 -0.37 0.00 0.00 57.07 57.16 3nbs s TYR 48 Cb -0.22 -2.42 0.04 0.00 -0.40 0.00 0.00 41.96 38.96 3nbs s TYR 48 CO 0.09 -0.47 1.09 0.95 -1.57 0.00 0.00 175.55 175.64 3nbs s THR 49 N -2.71 3.37 0.32 -0.71 -4.23 -1.26 -4.82 115.64 105.61 3nbs s THR 49 Ca 0.49 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 3nbs s THR 49 Cb -0.10 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.71 3nbs s THR 49 CO 0.41 -0.58 1.97 0.44 -0.54 0.00 0.00 174.62 176.32 3nbs h ASP 50 N -0.88 0.79 0.02 3.99 3.32 -1.98 -0.56 116.42 121.13 3nbs h ASP 50 Ca -0.46 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 56.58 3nbs h ASP 50 Cb 1.25 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 3nbs h ASP 50 CO 0.60 0.61 -0.27 0.00 -1.72 0.00 0.00 179.24 178.46 3nbs h ALA 51 N 1.52 -0.39 -0.24 3.45 0.00 -1.89 0.39 119.26 122.10 3nbs h ALA 51 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3nbs h ALA 51 Cb -0.04 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3nbs h ALA 51 CO -0.05 -0.78 -0.50 -0.97 0.00 0.00 0.00 179.25 176.95 3nbs h ASN 52 N -0.43 0.71 -0.26 0.00 -0.00 -1.82 -1.41 115.58 112.37 3nbs h ASN 52 Ca 0.06 -0.36 -0.03 0.00 -0.00 0.00 0.00 56.30 55.97 3nbs h ASN 52 Cb 0.51 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.60 3nbs h ASN 52 CO -0.23 1.09 0.08 0.11 -0.00 0.00 0.00 177.43 178.48 3nbs h LYS 53 N 0.51 0.50 -0.31 6.67 1.57 -0.60 -3.13 116.57 121.78 3nbs h LYS 53 Ca 0.02 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3nbs h LYS 53 Cb 1.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3nbs h LYS 53 CO 0.10 0.46 0.00 0.09 -0.57 0.00 0.00 179.45 179.53 3nbs n ASN 54 N -4.35 3.04 -0.31 0.86 5.03 0.13 -4.60 115.26 115.07 3nbs n ASN 54 Ca 0.02 -1.88 0.13 0.00 0.87 0.00 0.00 54.58 53.72 3nbs n ASN 54 Cb 0.18 -0.20 0.37 0.00 -1.02 0.00 0.00 39.78 39.11 3nbs n ASN 54 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3nbs h LYS 55 N 3.43 0.68 -3.77 3.52 1.63 -1.20 -3.46 116.57 117.41 3nbs h LYS 55 Ca 0.00 -0.04 -0.32 0.00 -0.85 0.00 0.00 60.65 59.44 3nbs h LYS 55 Cb 0.82 -0.15 0.06 0.00 -0.60 0.00 0.00 32.23 32.36 3nbs h LYS 55 CO 0.00 0.45 -0.48 0.41 -3.45 0.00 0.00 179.45 176.38 3nbs n GLY 56 N -1.40 -0.25 3.49 5.01 0.00 -1.26 -5.04 105.19 105.75 3nbs n GLY 56 Ca 0.20 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3nbs n GLY 56 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3nbs s ILE 57 N -3.07 2.09 -0.27 -0.61 -5.25 -1.26 -4.99 121.20 107.84 3nbs s ILE 57 Ca 0.27 -2.21 -0.09 0.00 -0.99 0.00 0.00 60.65 57.62 3nbs s ILE 57 Cb -0.12 -2.52 -0.04 0.00 2.95 0.00 0.00 42.46 42.73 3nbs s ILE 57 CO 0.33 -0.27 0.14 -0.89 -1.79 0.00 0.00 174.94 172.46 3nbs s THR 58 N -2.72 4.84 0.05 8.37 2.01 -1.26 -2.71 115.64 124.22 3nbs s THR 58 Ca 0.31 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 3nbs s THR 58 Cb 0.02 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.13 3nbs s THR 58 CO 0.15 0.26 1.76 0.26 -0.69 0.00 0.00 174.62 176.35 3nbs s TRP 59 N 1.69 2.04 0.34 4.92 0.23 -0.98 -4.67 118.94 122.50 3nbs s TRP 59 Ca 0.06 0.06 -0.18 0.00 -2.03 0.00 0.00 56.10 54.01 3nbs s TRP 59 Cb -0.16 -4.06 0.04 0.00 0.03 0.00 0.00 33.47 29.32 3nbs s TRP 59 CO 0.08 -4.44 0.77 -1.59 0.96 0.00 0.00 176.95 172.72 3nbs s LYS 60 N 3.29 2.03 0.15 4.98 -2.85 -1.26 -0.73 119.74 125.35 3nbs s LYS 60 Ca 0.78 -1.25 -0.24 0.00 -1.00 0.00 0.00 55.97 54.27 3nbs s LYS 60 Cb -0.41 0.61 0.03 0.00 -2.06 0.00 0.00 37.83 36.00 3nbs s LYS 60 CO 0.35 -0.95 1.61 0.93 0.10 0.00 0.00 175.35 177.39 3nbs h GLU 61 N 2.00 -0.29 -0.28 1.78 3.07 -1.98 -0.50 114.58 118.37 3nbs h GLU 61 Ca -0.27 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.67 3nbs h GLU 61 Cb 1.25 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 29.16 3nbs h GLU 61 CO 0.34 -0.19 -0.15 0.93 -1.40 0.00 0.00 179.01 178.53 3nbs h GLU 62 N -0.30 -0.11 0.00 2.33 3.07 -1.97 0.16 114.58 117.75 3nbs h GLU 62 Ca 0.14 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.92 3nbs h GLU 62 Cb 0.53 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 3nbs h GLU 62 CO -0.46 -0.08 -0.45 1.79 -1.40 0.00 0.00 179.01 178.42 3nbs h THR 63 N -0.12 1.20 -0.13 1.13 1.35 -1.76 -2.86 112.91 111.72 3nbs h THR 63 Ca 0.15 -1.59 -0.20 0.00 -0.55 0.00 0.00 66.41 64.23 3nbs h THR 63 Cb 0.34 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3nbs h THR 63 CO -0.36 0.44 -0.72 -0.07 -0.25 0.00 0.00 175.52 174.56 3nbs h LEU 64 N 0.00 0.69 -0.92 3.87 3.38 -0.38 -1.49 115.31 120.47 3nbs h LEU 64 Ca -0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3nbs h LEU 64 Cb 0.85 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3nbs h LEU 64 CO 0.06 1.20 0.54 0.24 0.09 0.00 0.00 178.44 180.57 3nbs h MET 65 N 0.41 1.25 0.07 1.13 2.86 -0.51 0.14 114.93 120.28 3nbs h MET 65 Ca -0.03 -0.12 -0.24 0.00 -2.06 0.00 0.00 59.70 57.25 3nbs h MET 65 Cb 1.31 -0.26 0.02 0.00 0.06 0.00 0.00 31.60 32.73 3nbs h MET 65 CO 0.14 0.88 -0.98 1.49 1.06 0.00 0.00 176.91 179.50 3nbs h GLU 66 N 1.27 0.54 0.13 1.72 4.81 -1.49 -3.27 114.58 118.29 3nbs h GLU 66 Ca 0.33 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3nbs h GLU 66 Cb -0.04 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3nbs h GLU 66 CO -0.06 1.28 -0.06 -0.92 -0.73 0.00 0.00 179.01 178.52 3nbs h TYR 67 N 0.11 -0.16 -0.02 0.92 3.20 -1.13 -3.14 116.97 116.76 3nbs h TYR 67 Ca -0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3nbs h TYR 67 Cb 1.68 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 40.00 3nbs h TYR 67 CO 0.13 0.05 0.02 -0.07 -1.64 0.00 0.00 178.16 176.66 3nbs h LEU 68 N -0.35 0.00 -0.71 2.82 3.38 -1.11 -1.37 115.31 117.98 3nbs h LEU 68 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3nbs h LEU 68 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3nbs h LEU 68 CO 0.03 0.00 -0.64 -0.08 0.09 0.00 0.00 178.44 177.84 3nbs h GLU 69 N 0.00 0.04 -0.68 1.13 4.81 -1.59 -3.42 114.58 114.87 3nbs h GLU 69 Ca 0.01 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3nbs h GLU 69 Cb 0.05 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 29.25 3nbs h GLU 69 CO -0.00 0.66 -0.30 1.21 -0.73 0.00 0.00 179.01 179.86 3nbs s ASN 70 N -6.85 -1.06 0.15 1.04 3.84 -0.67 -5.07 114.94 106.32 3nbs s ASN 70 Ca -0.02 -0.42 -0.19 0.00 0.21 0.00 0.00 52.86 52.45 3nbs s ASN 70 Cb 0.12 1.40 0.05 0.00 -0.55 0.00 0.00 41.25 42.27 3nbs s ASN 70 CO 0.77 -0.13 1.67 -0.65 -2.79 0.00 0.00 177.10 175.97 3nbs h PRO 71 N 6.59 -0.04 -0.95 0.43 0.11 -1.55 -2.32 132.00 134.27 3nbs h PRO 71 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.18 3nbs h PRO 71 Cb 1.20 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3nbs h PRO 71 CO 0.03 -0.03 0.62 -0.22 -0.21 0.00 0.00 178.00 178.19 3nbs h LYS 72 N -0.04 1.08 0.14 1.05 1.63 -1.82 0.20 116.57 118.81 3nbs h LYS 72 Ca 0.15 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3nbs h LYS 72 Cb 0.27 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3nbs h LYS 72 CO -0.34 0.71 -0.07 -0.22 -3.45 0.00 0.00 179.45 176.09 3nbs h LYS 73 N 1.11 -0.18 -0.19 1.90 3.64 -1.86 -1.41 116.57 119.58 3nbs h LYS 73 Ca 0.40 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.71 3nbs h LYS 73 Cb 0.15 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3nbs h LYS 73 CO -0.15 0.12 -0.24 -0.92 -2.27 0.00 0.00 179.45 175.99 3nbs h TYR 74 N -0.50 0.38 -2.34 1.91 3.20 -1.07 -3.35 116.97 115.20 3nbs h TYR 74 Ca -0.02 -0.07 -0.59 0.00 3.14 0.00 0.00 58.73 61.19 3nbs h TYR 74 Cb 0.39 -0.10 -0.39 0.00 1.54 0.00 0.00 36.73 38.17 3nbs h TYR 74 CO 0.02 0.56 -0.91 -0.89 -1.64 0.00 0.00 178.16 175.31 3nbs n ILE 75 N -4.15 -0.21 -1.54 1.81 5.41 0.66 -5.07 119.36 116.27 3nbs n ILE 75 Ca -0.01 -4.04 -0.49 0.00 1.00 0.00 0.00 62.75 59.22 3nbs n ILE 75 Cb 0.37 -1.88 -0.04 0.00 -0.71 0.00 0.00 39.64 37.38 3nbs n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3nbs n PRO 76 N 2.03 0.89 0.00 0.38 -0.02 -0.53 -1.22 135.00 136.52 3nbs n PRO 76 Ca 0.26 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3nbs n PRO 76 Cb 0.47 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3nbs n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3nbs n GLY 77 N 1.86 2.55 3.69 -1.23 0.00 -1.26 -4.77 105.19 106.03 3nbs n GLY 77 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3nbs n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nbs s THR 78 N -2.51 4.22 0.10 2.61 -1.32 -0.36 -4.87 115.64 113.52 3nbs s THR 78 Ca 0.00 1.56 -0.13 0.00 -1.21 0.00 0.00 61.69 61.91 3nbs s THR 78 Cb 0.00 -4.00 0.04 0.00 -1.51 0.00 0.00 72.50 67.03 3nbs s THR 78 CO 0.00 0.02 0.60 2.29 -2.21 0.00 0.00 174.62 175.32 3nbs n LYS 79 N 5.01 0.36 -4.31 7.08 2.85 -1.26 -4.62 118.16 123.27 3nbs n LYS 79 Ca 0.11 -0.84 -0.27 0.00 -1.05 0.00 0.00 58.31 56.26 3nbs n LYS 79 Cb 0.46 1.14 -0.17 0.00 -0.65 0.00 0.00 35.03 35.81 3nbs n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3nbs s MET 80 N -2.03 1.92 0.11 -1.58 -2.45 -1.26 -5.02 119.30 108.99 3nbs s MET 80 Ca 0.13 -0.44 -0.01 0.00 -1.25 0.00 0.00 55.69 54.12 3nbs s MET 80 Cb -0.02 -1.71 -0.04 0.00 1.25 0.00 0.00 34.83 34.31 3nbs s MET 80 CO 0.03 -0.11 0.29 0.96 1.05 0.00 0.00 175.02 177.24 3nbs s ILE 81 N 1.14 5.29 -0.28 10.11 -4.36 -1.26 -5.06 121.20 126.78 3nbs s ILE 81 Ca -0.05 -0.30 -0.29 0.00 -0.26 0.00 0.00 60.65 59.76 3nbs s ILE 81 Cb -0.14 -3.66 0.01 0.00 1.25 0.00 0.00 42.46 39.92 3nbs s ILE 81 CO -0.03 0.04 1.04 -0.36 0.24 0.00 0.00 174.94 175.88 3nbs s PHE 82 N -1.63 3.23 0.39 1.37 2.99 -1.26 -5.01 117.98 118.06 3nbs s PHE 82 Ca 0.37 1.28 -0.27 0.00 0.00 0.00 0.00 56.93 58.32 3nbs s PHE 82 Cb -0.12 -3.49 -0.10 0.00 0.00 0.00 0.00 43.02 39.31 3nbs s PHE 82 CO 0.27 -0.64 1.39 0.00 -0.00 0.00 0.00 175.22 176.24 3nbs s ALA 83 N 3.43 3.41 0.39 5.36 0.00 -1.26 -5.00 121.76 128.10 3nbs s ALA 83 Ca 0.44 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 3nbs s ALA 83 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3nbs s ALA 83 CO 0.11 -0.94 0.64 0.20 0.00 0.00 0.00 175.76 175.78 3nbs s GLY 84 N -0.44 1.47 -0.56 0.00 0.00 -1.26 -5.04 107.32 101.49 3nbs s GLY 84 Ca 0.55 -0.70 -0.14 0.00 0.00 0.00 0.00 44.72 44.42 3nbs s GLY 84 CO 0.56 -0.59 0.50 -0.42 0.00 0.00 0.00 173.10 173.15 3nbs s ILE 85 N -2.45 5.04 0.07 0.90 -1.09 -1.26 -4.97 121.20 117.44 3nbs s ILE 85 Ca 0.43 -1.70 -0.29 0.00 -2.23 0.00 0.00 60.65 56.87 3nbs s ILE 85 Cb -0.10 -4.23 -0.17 0.00 -1.58 0.00 0.00 42.46 36.38 3nbs s ILE 85 CO 0.39 -0.87 1.65 0.11 -1.23 0.00 0.00 174.94 174.98 3nbs h LYS 86 N 8.64 -0.50 -6.65 2.79 6.56 -2.01 -3.44 116.57 121.96 3nbs h LYS 86 Ca -0.23 0.03 -0.54 0.00 -1.06 0.00 0.00 60.65 58.85 3nbs h LYS 86 Cb 1.09 0.11 0.07 0.00 -0.57 0.00 0.00 32.23 32.93 3nbs h LYS 86 CO 0.97 -0.32 0.89 1.63 -2.06 0.00 0.00 179.45 180.56 3nbs n LYS 87 N -5.30 2.55 -0.19 3.15 5.02 -1.26 -4.92 118.16 117.21 3nbs n LYS 87 Ca -0.11 0.92 -0.07 0.00 -2.02 0.00 0.00 58.31 57.03 3nbs n LYS 87 Cb 0.23 -2.71 0.02 0.00 -0.02 0.00 0.00 35.03 32.55 3nbs n LYS 87 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3nbs h LYS 88 N 5.82 0.78 -0.60 1.97 3.64 -2.00 -2.35 116.57 123.82 3nbs h LYS 88 Ca -0.45 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 3nbs h LYS 88 Cb 1.23 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 3nbs h LYS 88 CO 0.88 0.62 0.29 1.79 -2.27 0.00 0.00 179.45 180.76 3nbs h THR 89 N 0.74 1.21 -0.41 1.00 1.35 -1.98 -1.17 112.91 113.65 3nbs h THR 89 Ca 0.19 -0.59 -0.02 0.00 -0.55 0.00 0.00 66.41 65.44 3nbs h THR 89 Cb 0.09 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 3nbs h THR 89 CO -0.03 0.24 0.18 -0.33 -0.25 0.00 0.00 175.52 175.33 3nbs h GLU 90 N 0.82 0.60 -0.69 4.72 5.08 -1.93 0.39 114.58 123.57 3nbs h GLU 90 Ca 0.21 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3nbs h GLU 90 Cb 0.12 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3nbs h GLU 90 CO -0.03 0.55 0.40 0.00 -1.00 0.00 0.00 179.01 178.93 3nbs h ARG 91 N 0.52 0.73 0.06 2.33 3.08 -1.22 0.20 114.38 120.08 3nbs h ARG 91 Ca 0.14 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3nbs h ARG 91 Cb 0.16 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3nbs h ARG 91 CO -0.01 0.48 -0.03 0.93 -1.07 0.00 0.00 179.97 180.27 3nbs h GLU 92 N 0.75 -0.08 -0.22 0.04 5.08 -0.56 -0.74 114.58 118.85 3nbs h GLU 92 Ca 0.30 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3nbs h GLU 92 Cb 0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3nbs h GLU 92 CO -0.16 0.05 0.12 -0.44 -1.00 0.00 0.00 179.01 177.59 3nbs h ASP 93 N -0.20 0.27 -0.60 1.42 3.32 0.15 -1.35 116.42 119.43 3nbs h ASP 93 Ca -0.01 -0.07 0.09 0.00 0.02 0.00 0.00 57.03 57.06 3nbs h ASP 93 Cb 0.18 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 3nbs h ASP 93 CO 0.01 0.27 0.22 0.25 -1.72 0.00 0.00 179.24 178.27 3nbs h LEU 94 N 0.26 0.22 -0.98 1.55 5.85 -0.54 -1.28 115.31 120.38 3nbs h LEU 94 Ca 0.08 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3nbs h LEU 94 Cb 0.05 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3nbs h LEU 94 CO -0.01 0.13 0.25 0.40 -0.34 0.00 0.00 178.44 178.87 3nbs h ILE 95 N 0.40 1.23 -0.58 4.05 2.04 -0.74 -0.53 117.51 123.39 3nbs h ILE 95 Ca 0.30 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 3nbs h ILE 95 Cb 0.37 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3nbs h ILE 95 CO -0.30 0.30 0.22 0.00 0.00 0.00 0.00 178.15 178.37 3nbs h ALA 96 N 1.31 0.75 -0.76 1.87 0.00 -0.19 0.39 119.26 122.63 3nbs h ALA 96 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3nbs h ALA 96 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3nbs h ALA 96 CO -0.02 0.38 0.38 -0.92 0.00 0.00 0.00 179.25 179.08 3nbs h TYR 97 N 0.80 1.08 -0.47 0.00 3.20 -0.78 -1.38 116.97 119.42 3nbs h TYR 97 Ca 0.19 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.93 3nbs h TYR 97 Cb 0.22 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3nbs h TYR 97 CO 0.01 0.78 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.17 3nbs h LEU 98 N 1.06 0.80 -0.91 2.82 3.38 -0.53 0.11 115.31 122.04 3nbs h LEU 98 Ca 0.26 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3nbs h LEU 98 Cb 0.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3nbs h LEU 98 CO -0.04 0.91 0.16 0.50 0.09 0.00 0.00 178.44 180.06 3nbs h LYS 99 N 0.75 0.96 0.13 1.13 3.64 0.33 -1.88 116.57 121.62 3nbs h LYS 99 Ca 0.13 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3nbs h LYS 99 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3nbs h LYS 99 CO 0.03 0.85 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.78 3nbs h LYS 100 N 0.92 -0.16 -0.39 1.90 3.64 -0.92 -3.35 116.57 118.20 3nbs h LYS 100 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3nbs h LYS 100 Cb 0.32 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3nbs h LYS 100 CO -0.00 -0.11 0.24 0.00 -2.27 0.00 0.00 179.45 177.31 3nbs h ALA 101 N -1.23 1.69 -0.03 5.00 0.00 -0.88 -1.72 119.26 122.09 3nbs h ALA 101 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3nbs h ALA 101 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3nbs h ALA 101 CO 0.03 0.27 0.00 0.25 0.00 0.00 0.00 179.25 179.80 3nbs n THR 102 N -4.46 0.04 0.00 0.00 -2.24 -0.71 -3.81 114.28 103.10 3nbs n THR 102 Ca 0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3nbs n THR 102 Cb 0.07 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3nbs n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3nbs n ASN 103 N -0.57 4.29 0.00 3.42 5.15 -0.93 -5.07 115.26 121.55 3nbs n ASN 103 Ca 0.14 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.20 3nbs n ASN 103 Cb 0.11 0.20 0.47 0.00 -0.53 0.00 0.00 39.78 40.03 3nbs n ASN 103 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82