#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 6.28 0.18 1.61 -1.08 -1.26 -4.93 116.67 117.47 3nbs s ASP 2 Ca 0.00 -1.18 -0.16 0.00 -0.52 0.00 0.00 52.55 50.69 3nbs s ASP 2 Cb 0.00 -2.43 0.14 0.00 -1.46 0.00 0.00 42.92 39.16 3nbs s ASP 2 CO 0.00 -1.40 1.65 0.58 0.52 0.00 0.00 175.17 176.52 3nbs h VAL 3 N 6.00 0.52 -0.51 1.11 2.07 -2.05 -0.56 116.25 122.83 3nbs h VAL 3 Ca -0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.43 3nbs h VAL 3 Cb 1.06 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3nbs h VAL 3 CO 1.19 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 178.84 3nbs h GLU 4 N -0.00 0.28 -0.43 1.57 4.81 -2.00 -0.19 114.58 118.62 3nbs h GLU 4 Ca 0.23 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 3nbs h GLU 4 Cb 0.35 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3nbs h GLU 4 CO -0.49 0.19 -0.26 0.87 -0.73 0.00 0.00 179.01 178.59 3nbs h LYS 5 N 0.29 0.92 -0.33 1.92 1.57 -1.81 -2.89 116.57 116.24 3nbs h LYS 5 Ca 0.26 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3nbs h LYS 5 Cb 0.32 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3nbs h LYS 5 CO -0.30 1.06 0.03 0.78 -0.57 0.00 0.00 179.45 180.45 3nbs h GLY 6 N 0.89 0.54 0.97 3.86 0.00 -0.59 -1.78 103.07 106.96 3nbs h GLY 6 Ca 0.09 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3nbs h GLY 6 CO 0.07 0.28 0.14 1.70 0.00 0.00 0.00 176.54 178.73 3nbs h LYS 7 N 0.49 0.32 -0.33 4.80 3.64 -0.84 0.99 116.57 125.62 3nbs h LYS 7 Ca 0.11 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3nbs h LYS 7 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3nbs h LYS 7 CO 0.00 0.26 0.01 -0.22 -2.27 0.00 0.00 179.45 177.23 3nbs h LYS 8 N 0.29 0.58 -0.10 1.90 3.64 -1.34 -1.80 116.57 119.74 3nbs h LYS 8 Ca 0.08 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3nbs h LYS 8 Cb 0.02 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3nbs h LYS 8 CO -0.02 0.70 -0.05 0.82 -2.27 0.00 0.00 179.45 178.63 3nbs h ILE 9 N 0.39 0.83 -0.15 2.00 2.04 -1.15 -1.10 117.51 120.37 3nbs h ILE 9 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 3nbs h ILE 9 Cb 0.43 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3nbs h ILE 9 CO 0.02 0.00 -0.26 0.15 0.00 0.00 0.00 178.15 178.06 3nbs h PHE 10 N -0.05 -0.69 -0.49 1.37 3.57 -0.65 0.32 116.94 120.33 3nbs h PHE 10 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3nbs h PHE 10 Cb 0.13 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3nbs h PHE 10 CO -0.17 -0.34 0.31 -0.24 -2.23 0.00 0.00 178.31 175.64 3nbs h VAL 11 N -0.31 1.14 0.00 1.41 3.04 -1.06 0.95 116.25 121.41 3nbs h VAL 11 Ca 0.11 -0.28 -0.16 0.00 -1.01 0.00 0.00 66.70 65.35 3nbs h VAL 11 Cb 0.48 0.43 -0.03 0.00 -2.01 0.00 0.00 31.29 30.16 3nbs h VAL 11 CO -0.33 0.14 -1.16 1.56 -1.01 0.00 0.00 177.57 176.77 3nbs h GLN 12 N 0.67 0.00 0.00 4.17 4.20 -0.54 -3.37 115.11 120.25 3nbs h GLN 12 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3nbs h GLN 12 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3nbs h GLN 12 CO -0.04 0.41 -0.87 1.63 -0.67 0.00 0.00 178.83 179.29 3nbs n LYS 13 N -3.02 2.16 0.00 1.46 4.76 0.11 -4.90 118.16 118.73 3nbs n LYS 13 Ca -0.06 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3nbs n LYS 13 Cb 0.83 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 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 3.00 -0.07 0.00 0.00 -1.01 -0.48 119.26 120.69 3nbs h ALA 15 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3nbs h ALA 15 Cb 0.66 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3nbs h ALA 15 CO 0.00 -1.46 0.09 -0.56 0.00 0.00 0.00 179.25 177.32 3nbs h GLN 16 N 0.10 0.00 0.00 0.00 -0.00 -1.85 -3.02 115.11 110.33 3nbs h GLN 16 Ca 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.35 3nbs h GLN 16 Cb 2.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.96 3nbs h GLN 16 CO -0.16 0.00 -0.33 0.00 -0.00 0.00 0.00 178.83 178.34 3nbs s HIS 18 N -1.22 1.29 0.03 0.00 3.76 -0.61 -0.56 115.29 117.98 3nbs s HIS 18 Ca 0.00 -0.31 0.09 0.00 -0.15 0.00 0.00 55.06 54.68 3nbs s HIS 18 Cb 0.00 -0.79 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 3nbs s HIS 18 CO 0.00 0.02 -0.25 0.95 -0.85 0.00 0.00 174.74 174.61 3nbs s THR 19 N -0.66 1.99 -0.31 1.30 -4.23 -1.26 -4.06 115.64 108.41 3nbs s THR 19 Ca 0.03 -1.29 0.07 0.00 -1.18 0.00 0.00 61.69 59.33 3nbs s THR 19 Cb -0.07 -1.70 -0.08 0.00 1.34 0.00 0.00 72.50 71.98 3nbs s THR 19 CO 0.01 0.36 0.30 1.33 -0.54 0.00 0.00 174.62 176.07 3nbs n VAL 20 N 1.90 0.00 -2.12 2.29 0.24 -1.26 -0.89 118.33 118.49 3nbs n VAL 20 Ca -0.17 -0.31 -0.37 0.00 -2.04 0.00 0.00 64.34 61.45 3nbs n VAL 20 Cb 0.52 0.93 0.01 0.00 -1.47 0.00 0.00 33.84 33.83 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 -1.77 3.46 0.24 7.34 8.01 -1.26 -3.76 118.70 130.96 3nbs s GLU 21 Ca 0.02 1.86 -0.31 0.00 0.01 0.00 0.00 54.97 56.55 3nbs s GLU 21 Cb 0.05 -2.25 -0.11 0.00 -4.31 0.00 0.00 34.13 27.51 3nbs s GLU 21 CO 0.30 -0.82 1.64 0.21 0.01 0.00 0.00 175.26 176.60 3nbs s LYS 22 N -2.91 4.14 -0.04 1.61 2.20 -1.26 0.03 119.74 123.51 3nbs s LYS 22 Ca 0.69 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.85 3nbs s LYS 22 Cb -0.31 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3nbs s LYS 22 CO 0.36 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 3nbs n GLY 23 N 3.12 0.47 3.49 5.54 0.00 -1.26 -5.00 105.19 111.54 3nbs n GLY 23 Ca 0.12 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 3nbs n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3nbs s GLY 24 N -2.18 1.52 0.23 -0.02 0.00 0.10 -5.03 107.32 101.95 3nbs s GLY 24 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 44.72 44.48 3nbs s GLY 24 CO 0.00 0.46 0.26 0.54 0.00 0.00 0.00 173.10 174.36 3nbs s LYS 25 N -4.61 3.16 0.09 2.90 1.02 -1.26 -4.89 119.74 116.15 3nbs s LYS 25 Ca 0.68 -0.88 -0.21 0.00 0.02 0.00 0.00 55.97 55.58 3nbs s LYS 25 Cb -0.23 -2.73 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 3nbs s LYS 25 CO 0.63 0.43 0.63 -1.01 -0.92 0.00 0.00 175.35 175.11 3nbs s HIS 26 N -2.00 3.82 0.00 3.18 3.76 -1.26 -3.99 115.29 118.80 3nbs s HIS 26 Ca 0.33 1.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 3nbs s HIS 26 Cb -0.09 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 31.02 3nbs s HIS 26 CO 0.27 0.54 0.00 1.63 -0.85 0.00 0.00 174.74 176.32 3nbs n LYS 27 N 1.84 0.11 0.20 1.40 5.02 -1.25 -4.91 118.16 120.57 3nbs n LYS 27 Ca -0.09 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.27 3nbs n LYS 27 Cb 0.50 0.00 0.43 0.00 -0.02 0.00 0.00 35.03 35.94 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 0.88 -1.85 -0.18 2.02 -1.82 -3.43 112.91 108.53 3nbs h THR 28 Ca 0.00 -1.25 -0.61 0.00 0.77 0.00 0.00 66.41 65.32 3nbs h THR 28 Cb 0.00 1.75 -0.13 0.00 -1.74 0.00 0.00 68.15 68.04 3nbs h THR 28 CO 0.00 0.31 -0.64 -0.83 0.37 0.00 0.00 175.52 174.73 3nbs s GLY 29 N -4.31 2.26 0.52 2.16 0.00 0.27 -5.06 107.32 103.16 3nbs s GLY 29 Ca -0.01 -2.12 -0.16 0.00 0.00 0.00 0.00 44.72 42.42 3nbs s GLY 29 CO 0.67 -2.02 0.99 2.56 0.00 0.00 0.00 173.10 175.30 3nbs s PRO 30 N -3.67 3.90 0.43 2.90 0.04 -1.26 -4.60 135.00 132.75 3nbs s PRO 30 Ca 0.34 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 3nbs s PRO 30 Cb 0.04 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3nbs s PRO 30 CO 0.18 -0.31 1.43 1.21 0.04 0.00 0.00 177.00 179.55 3nbs s ASN 31 N -3.05 5.99 0.00 6.66 3.84 -1.26 -4.43 114.94 122.69 3nbs s ASN 31 Ca 0.59 2.94 0.18 0.00 0.21 0.00 0.00 52.86 56.78 3nbs s ASN 31 Cb -0.10 -2.66 0.52 0.00 -0.55 0.00 0.00 41.25 38.46 3nbs s ASN 31 CO 0.32 -1.10 1.43 0.18 -2.79 0.00 0.00 177.10 175.14 3nbs n LEU 32 N -0.05 3.58 -4.76 3.21 4.77 -0.07 -4.90 117.00 118.79 3nbs n LEU 32 Ca 0.04 -1.97 -0.41 0.00 -0.03 0.00 0.00 56.01 53.63 3nbs n LEU 32 Cb 0.41 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3nbs n LEU 32 CO 0.60 0.89 1.18 -2.28 -1.33 0.00 0.00 177.39 176.44 3nbs s HIS 33 N -1.02 2.79 -0.15 -1.77 2.46 -1.25 -1.87 115.29 114.50 3nbs s HIS 33 Ca 0.40 0.95 0.00 0.00 0.47 0.00 0.00 55.06 56.88 3nbs s HIS 33 Cb 0.21 -3.98 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 3nbs s HIS 33 CO 0.27 -3.16 0.00 0.41 -2.47 0.00 0.00 174.74 169.79 3nbs n GLY 34 N 1.73 0.51 0.09 1.59 0.00 -1.26 -4.95 105.19 102.90 3nbs n GLY 34 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3nbs n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3nbs h LEU 35 N 0.00 -0.15 -9.91 0.99 5.85 -1.76 -3.42 115.31 106.91 3nbs h LEU 35 Ca -0.03 0.05 -0.53 0.00 0.84 0.00 0.00 57.88 58.21 3nbs h LEU 35 Cb 0.19 0.10 0.09 0.00 0.37 0.00 0.00 40.66 41.41 3nbs h LEU 35 CO 0.04 -0.05 0.71 -0.36 -0.34 0.00 0.00 178.44 178.44 3nbs s PHE 36 N -6.20 2.81 -0.84 1.25 0.40 -1.26 -2.99 117.98 111.14 3nbs s PHE 36 Ca -0.13 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 3nbs s PHE 36 Cb 0.09 -3.86 0.00 0.00 0.51 0.00 0.00 43.02 39.77 3nbs s PHE 36 CO 0.68 -2.44 0.00 0.41 0.70 0.00 0.00 175.22 174.57 3nbs n GLY 37 N 0.62 0.97 2.93 4.36 0.00 -0.00 -5.00 105.19 109.07 3nbs n GLY 37 Ca 0.00 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.72 0.25 1.04 1.61 3.52 -1.16 -4.96 118.95 116.52 3nbs s ARG 38 Ca 0.00 -0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.31 3nbs s ARG 38 Cb 0.00 -0.20 0.21 0.00 -1.56 0.00 0.00 34.95 33.40 3nbs s ARG 38 CO 0.00 0.05 1.08 0.15 -0.81 0.00 0.00 175.30 175.77 3nbs s LYS 39 N -0.26 0.08 0.68 5.12 1.02 -1.26 -1.95 119.74 123.18 3nbs s LYS 39 Ca -0.01 1.08 -0.14 0.00 0.02 0.00 0.00 55.97 56.92 3nbs s LYS 39 Cb -0.02 -1.65 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 3nbs s LYS 39 CO -0.00 -3.12 1.12 0.95 -0.92 0.00 0.00 175.35 173.38 3nbs s THR 40 N -2.60 3.14 -1.33 2.17 -4.23 -0.98 -3.97 115.64 107.84 3nbs s THR 40 Ca 0.67 0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 61.62 3nbs s THR 40 Cb -0.23 -3.03 0.01 0.00 1.34 0.00 0.00 72.50 70.59 3nbs s THR 40 CO 0.61 -0.35 1.14 0.61 -0.54 0.00 0.00 174.62 176.10 3nbs n GLY 41 N -0.49 -0.50 0.46 3.99 0.00 -1.25 -4.80 105.19 102.61 3nbs n GLY 41 Ca 0.11 0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.81 1.60 -2.06 1.61 1.13 -1.25 -4.93 117.38 108.66 3nbs n GLN 42 Ca -0.06 -1.52 -0.42 0.00 -1.94 0.00 0.00 57.00 53.06 3nbs n GLN 42 Cb 0.58 -1.21 -0.03 0.00 0.11 0.00 0.00 30.24 29.70 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 -0.90 3.63 0.10 -1.58 0.00 -1.26 -4.93 121.76 116.82 3nbs s ALA 43 Ca 0.15 0.93 -0.32 0.00 0.00 0.00 0.00 51.96 52.73 3nbs s ALA 43 Cb 0.09 -3.70 -0.12 0.00 0.00 0.00 0.00 23.12 19.39 3nbs s ALA 43 CO 0.13 -1.26 1.79 -2.30 0.00 0.00 0.00 175.76 174.12 3nbs n PRO 44 N 6.56 2.54 -1.00 0.00 -0.02 -1.26 -2.76 135.00 139.07 3nbs n PRO 44 Ca 0.16 0.92 -0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3nbs n PRO 44 Cb 0.43 -2.78 -0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 4.07 0.47 3.49 -1.23 0.00 -1.26 -5.04 105.19 105.70 3nbs n GLY 45 Ca 0.19 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.96 2.92 -0.51 1.61 5.36 -1.11 -5.07 117.98 119.22 3nbs s PHE 46 Ca 0.00 -0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 55.50 3nbs s PHE 46 Cb 0.00 -1.83 0.06 0.00 -0.34 0.00 0.00 43.02 40.91 3nbs s PHE 46 CO 0.00 0.04 0.61 0.99 -1.46 0.00 0.00 175.22 175.41 3nbs s THR 47 N -0.08 4.89 0.78 0.12 2.01 -1.26 -4.91 115.64 117.20 3nbs s THR 47 Ca 0.00 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 3nbs s THR 47 Cb -0.13 -4.30 0.13 0.00 0.01 0.00 0.00 72.50 68.21 3nbs s THR 47 CO 0.03 -0.81 1.09 -0.31 -0.69 0.00 0.00 174.62 173.94 3nbs s TYR 48 N 2.57 2.02 0.39 4.92 2.02 -1.26 -5.08 117.35 122.93 3nbs s TYR 48 Ca 0.14 0.12 -0.08 0.00 -0.37 0.00 0.00 57.07 56.88 3nbs s TYR 48 Cb -0.20 -3.38 -0.06 0.00 -0.40 0.00 0.00 41.96 37.93 3nbs s TYR 48 CO 0.11 -1.87 0.72 0.95 -1.57 0.00 0.00 175.55 173.89 3nbs s THR 49 N -3.38 4.86 0.45 -0.71 -4.23 -1.26 -4.86 115.64 106.50 3nbs s THR 49 Ca 0.66 0.42 0.18 0.00 -1.18 0.00 0.00 61.69 61.78 3nbs s THR 49 Cb -0.07 -3.75 0.37 0.00 1.34 0.00 0.00 72.50 70.39 3nbs s THR 49 CO 0.47 -0.52 1.93 0.44 -0.54 0.00 0.00 174.62 176.40 3nbs h ASP 50 N 1.22 0.32 0.54 3.99 3.32 -1.96 0.36 116.42 124.20 3nbs h ASP 50 Ca -0.47 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3nbs h ASP 50 Cb 1.19 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3nbs h ASP 50 CO 0.64 0.16 -0.36 0.00 -1.72 0.00 0.00 179.24 177.96 3nbs h ALA 51 N 1.66 -0.89 -0.06 3.45 0.00 -1.89 0.23 119.26 121.77 3nbs h ALA 51 Ca 0.35 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3nbs h ALA 51 Cb 0.90 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3nbs h ALA 51 CO -0.10 -1.02 -0.38 -0.97 0.00 0.00 0.00 179.25 176.79 3nbs h ASN 52 N -0.87 0.12 0.29 0.00 -0.00 -1.64 -2.40 115.58 111.09 3nbs h ASN 52 Ca -0.06 -0.04 -0.10 0.00 -0.00 0.00 0.00 56.30 56.09 3nbs h ASN 52 Cb 0.72 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.99 3nbs h ASN 52 CO 0.05 0.49 -0.41 0.50 -0.00 0.00 0.00 177.43 178.06 3nbs h LYS 53 N 0.10 0.16 -0.28 6.67 3.64 0.15 -3.28 116.57 123.73 3nbs h LYS 53 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3nbs h LYS 53 Cb 0.72 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3nbs h LYS 53 CO 0.05 0.54 0.00 0.09 -2.27 0.00 0.00 179.45 177.87 3nbs n ASN 54 N -4.04 3.02 0.02 4.20 3.02 0.78 -4.57 115.26 117.70 3nbs n ASN 54 Ca -0.02 -2.27 0.07 0.00 -0.03 0.00 0.00 54.58 52.34 3nbs n ASN 54 Cb 0.46 -0.28 0.48 0.00 -0.61 0.00 0.00 39.78 39.83 3nbs n ASN 54 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3nbs h LYS 55 N 1.68 0.41 0.00 3.52 1.63 -1.49 -3.45 116.57 118.87 3nbs h LYS 55 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3nbs h LYS 55 Cb 0.88 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 3nbs h LYS 55 CO 0.05 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.73 3nbs n GLY 56 N -1.50 1.39 3.61 5.01 0.00 -1.26 -4.98 105.19 107.46 3nbs n GLY 56 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.59 2.08 -0.18 -0.61 -5.25 -1.26 -4.67 121.20 110.71 3nbs s ILE 57 Ca 0.00 0.03 -0.05 0.00 -0.99 0.00 0.00 60.65 59.64 3nbs s ILE 57 Cb 0.00 -2.34 -0.03 0.00 2.95 0.00 0.00 42.46 43.04 3nbs s ILE 57 CO 0.00 -0.03 0.00 -0.89 -1.79 0.00 0.00 174.94 172.23 3nbs s THR 58 N -2.77 4.12 0.17 8.37 2.01 -1.26 -2.33 115.64 123.95 3nbs s THR 58 Ca 0.66 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 62.09 3nbs s THR 58 Cb -0.21 -2.84 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 3nbs s THR 58 CO 0.60 0.46 1.41 0.26 -0.69 0.00 0.00 174.62 176.66 3nbs s TRP 59 N 0.62 3.18 0.02 4.92 0.23 -0.82 -4.69 118.94 122.39 3nbs s TRP 59 Ca -0.00 0.98 -0.29 0.00 -2.03 0.00 0.00 56.10 54.75 3nbs s TRP 59 Cb -0.14 -3.73 0.10 0.00 0.03 0.00 0.00 33.47 29.73 3nbs s TRP 59 CO 0.02 -2.48 1.13 -1.59 0.96 0.00 0.00 176.95 174.98 3nbs s LYS 60 N 0.54 0.69 0.28 4.98 -2.85 -1.26 -0.82 119.74 121.29 3nbs s LYS 60 Ca 0.63 -0.36 -0.06 0.00 -1.00 0.00 0.00 55.97 55.18 3nbs s LYS 60 Cb -0.39 0.25 0.52 0.00 -2.06 0.00 0.00 37.83 36.15 3nbs s LYS 60 CO 0.35 -0.31 1.58 0.93 0.10 0.00 0.00 175.35 178.00 3nbs h GLU 61 N 2.00 0.02 0.52 1.78 3.07 -1.97 0.22 114.58 120.22 3nbs h GLU 61 Ca -0.24 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 3nbs h GLU 61 Cb 1.21 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 3nbs h GLU 61 CO 0.27 0.01 -0.40 0.93 -1.40 0.00 0.00 179.01 178.42 3nbs h GLU 62 N 0.02 -0.86 -0.19 2.33 3.07 -1.96 0.13 114.58 117.12 3nbs h GLU 62 Ca 0.49 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.37 3nbs h GLU 62 Cb 0.85 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 3nbs h GLU 62 CO -0.90 -0.57 -0.03 1.79 -1.40 0.00 0.00 179.01 177.90 3nbs h THR 63 N -0.89 1.14 -0.07 1.13 1.35 -1.66 -2.35 112.91 111.56 3nbs h THR 63 Ca -0.07 -0.57 -0.16 0.00 -0.55 0.00 0.00 66.41 65.06 3nbs h THR 63 Cb 0.74 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 3nbs h THR 63 CO 0.01 0.19 -0.65 -0.07 -0.25 0.00 0.00 175.52 174.75 3nbs h LEU 64 N 0.27 0.32 -0.67 3.87 3.38 -0.43 -1.44 115.31 120.61 3nbs h LEU 64 Ca 0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3nbs h LEU 64 Cb 0.24 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3nbs h LEU 64 CO 0.01 0.88 0.16 0.24 0.09 0.00 0.00 178.44 179.83 3nbs h MET 65 N 0.20 1.07 -0.06 1.13 2.86 -0.20 -1.12 114.93 118.81 3nbs h MET 65 Ca -0.01 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 3nbs h MET 65 Cb 1.19 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.71 3nbs h MET 65 CO 0.10 0.95 -0.47 1.49 1.06 0.00 0.00 176.91 180.04 3nbs h GLU 66 N 0.99 0.42 0.27 1.72 4.81 -1.44 -3.21 114.58 118.14 3nbs h GLU 66 Ca 0.21 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3nbs h GLU 66 Cb 0.36 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3nbs h GLU 66 CO 0.00 1.02 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.23 3nbs h TYR 67 N -0.06 -0.39 -0.11 0.92 3.20 -1.23 -3.07 116.97 116.24 3nbs h TYR 67 Ca -0.04 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.85 3nbs h TYR 67 Cb 1.14 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.55 3nbs h TYR 67 CO 0.13 -0.24 0.12 -0.07 -1.64 0.00 0.00 178.16 176.46 3nbs h LEU 68 N -0.40 0.00 -1.02 2.82 3.38 -1.31 -0.79 115.31 117.99 3nbs h LEU 68 Ca -0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3nbs h LEU 68 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3nbs h LEU 68 CO 0.04 0.00 -0.19 -0.08 0.09 0.00 0.00 178.44 178.30 3nbs h GLU 69 N 0.00 0.00 -0.44 1.13 4.81 -1.53 -3.41 114.58 115.13 3nbs h GLU 69 Ca 0.05 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.35 3nbs h GLU 69 Cb 0.28 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.48 3nbs h GLU 69 CO -0.00 0.19 -0.21 1.21 -0.73 0.00 0.00 179.01 179.46 3nbs s ASN 70 N -6.12 -0.68 0.16 1.04 3.84 -0.48 -5.07 114.94 107.62 3nbs s ASN 70 Ca 0.01 -0.37 -0.22 0.00 0.21 0.00 0.00 52.86 52.49 3nbs s ASN 70 Cb 0.09 0.87 0.06 0.00 -0.55 0.00 0.00 41.25 41.72 3nbs s ASN 70 CO 0.63 -0.07 1.61 -0.65 -2.79 0.00 0.00 177.10 175.83 3nbs h PRO 71 N 5.80 -0.24 -0.95 0.43 0.11 -1.44 -2.16 132.00 133.56 3nbs h PRO 71 Ca -0.01 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.23 3nbs h PRO 71 Cb 1.21 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3nbs h PRO 71 CO -0.03 -0.16 0.61 -0.22 -0.21 0.00 0.00 178.00 177.99 3nbs h LYS 72 N -0.25 0.89 -0.28 1.05 3.64 -1.81 0.21 116.57 120.02 3nbs h LYS 72 Ca 0.17 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3nbs h LYS 72 Cb 0.51 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3nbs h LYS 72 CO -0.49 0.59 -0.30 -0.22 -2.27 0.00 0.00 179.45 176.76 3nbs h LYS 73 N 0.92 0.70 0.01 1.90 3.64 -1.79 -2.32 116.57 119.63 3nbs h LYS 73 Ca 0.46 -0.38 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 3nbs h LYS 73 Cb 0.49 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3nbs h LYS 73 CO -0.22 0.99 -0.89 -0.92 -2.27 0.00 0.00 179.45 176.14 3nbs h TYR 74 N 0.44 0.15 -2.78 1.91 3.20 -0.92 -3.38 116.97 115.59 3nbs h TYR 74 Ca 0.04 -0.09 -0.61 0.00 3.14 0.00 0.00 58.73 61.22 3nbs h TYR 74 Cb 0.87 -0.01 -0.40 0.00 1.54 0.00 0.00 36.73 38.73 3nbs h TYR 74 CO 0.07 0.93 -0.78 0.42 -1.64 0.00 0.00 178.16 177.17 3nbs s ILE 75 N -3.08 1.43 -0.00 1.81 1.01 0.68 -5.06 121.20 117.99 3nbs s ILE 75 Ca -0.01 -3.07 -0.34 0.00 0.00 0.00 0.00 60.65 57.23 3nbs s ILE 75 Cb 0.10 -1.97 -0.12 0.00 0.01 0.00 0.00 42.46 40.48 3nbs s ILE 75 CO 0.82 -1.05 1.78 -2.65 0.00 0.00 0.00 174.94 173.83 3nbs n PRO 76 N 2.85 2.18 0.00 2.79 -0.02 -0.88 -1.44 135.00 140.47 3nbs n PRO 76 Ca 0.20 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 3nbs n PRO 76 Cb 0.39 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 4.07 2.44 3.71 -1.23 0.00 -1.26 -4.78 105.19 108.13 3nbs n GLY 77 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.27 4.07 0.00 2.61 -1.32 -0.52 -4.87 115.64 113.33 3nbs s THR 78 Ca 0.00 1.48 0.00 0.00 -1.21 0.00 0.00 61.69 61.96 3nbs s THR 78 Cb 0.00 -3.95 0.00 0.00 -1.51 0.00 0.00 72.50 67.04 3nbs s THR 78 CO 0.00 0.11 0.00 2.29 -2.21 0.00 0.00 174.62 174.81 3nbs n LYS 79 N 3.98 0.00 -4.30 7.08 2.85 -1.26 -4.61 118.16 121.90 3nbs n LYS 79 Ca 0.09 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.13 3nbs n LYS 79 Cb 0.46 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.68 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 -1.85 1.16 0.01 -1.58 -2.45 -1.26 -5.04 119.30 108.29 3nbs s MET 80 Ca 0.00 -0.22 -0.03 0.00 -1.25 0.00 0.00 55.69 54.20 3nbs s MET 80 Cb 0.00 -1.07 -0.04 0.00 1.25 0.00 0.00 34.83 34.97 3nbs s MET 80 CO 0.00 -0.05 0.20 0.96 1.05 0.00 0.00 175.02 177.18 3nbs s ILE 81 N 0.87 5.41 -0.14 10.11 -4.36 -1.26 -5.05 121.20 126.77 3nbs s ILE 81 Ca -0.12 -0.17 -0.29 0.00 -0.26 0.00 0.00 60.65 59.82 3nbs s ILE 81 Cb -0.15 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 39.99 3nbs s ILE 81 CO 0.01 0.29 1.25 -0.36 0.24 0.00 0.00 174.94 176.37 3nbs s PHE 82 N -1.36 2.92 0.29 1.37 2.99 -1.26 -4.99 117.98 117.95 3nbs s PHE 82 Ca 0.29 1.05 -0.29 0.00 0.00 0.00 0.00 56.93 57.98 3nbs s PHE 82 Cb -0.13 -3.49 -0.10 0.00 0.00 0.00 0.00 43.02 39.31 3nbs s PHE 82 CO 0.20 -1.61 1.22 0.00 -0.00 0.00 0.00 175.22 175.03 3nbs s ALA 83 N 3.24 3.46 0.59 5.36 0.00 -1.26 -5.02 121.76 128.14 3nbs s ALA 83 Ca 0.55 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.54 3nbs s ALA 83 Cb -0.22 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3nbs s ALA 83 CO 0.16 -0.43 0.91 0.20 0.00 0.00 0.00 175.76 176.60 3nbs s GLY 84 N -0.55 1.60 -0.82 0.00 0.00 -1.26 -5.02 107.32 101.26 3nbs s GLY 84 Ca 0.48 -0.63 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 3nbs s GLY 84 CO 0.46 -0.36 0.72 -0.42 0.00 0.00 0.00 173.10 173.51 3nbs s ILE 85 N -3.00 4.81 0.34 0.90 -1.09 -1.26 -4.95 121.20 116.95 3nbs s ILE 85 Ca 0.54 -3.07 0.09 0.00 -2.23 0.00 0.00 60.65 55.97 3nbs s ILE 85 Cb -0.11 -4.00 0.32 0.00 -1.58 0.00 0.00 42.46 37.10 3nbs s ILE 85 CO 0.46 -1.02 1.83 0.11 -1.23 0.00 0.00 174.94 175.09 3nbs h LYS 86 N 6.99 0.67 -6.38 2.79 6.56 -2.02 -3.42 116.57 121.76 3nbs h LYS 86 Ca 0.09 -0.04 -0.57 0.00 -1.06 0.00 0.00 60.65 59.07 3nbs h LYS 86 Cb 0.94 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.41 3nbs h LYS 86 CO 0.80 0.44 1.06 0.21 -2.06 0.00 0.00 179.45 179.91 3nbs s LYS 87 N -5.71 3.74 0.27 3.15 2.20 -1.26 -4.92 119.74 117.21 3nbs s LYS 87 Ca -0.10 1.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 3nbs s LYS 87 Cb 0.23 -3.99 0.60 0.00 -1.51 0.00 0.00 37.83 33.17 3nbs s LYS 87 CO 0.79 -1.35 1.72 -0.22 -0.36 0.00 0.00 175.35 175.94 3nbs h LYS 88 N 10.34 0.46 -0.44 4.03 3.64 -2.00 -0.72 116.57 131.88 3nbs h LYS 88 Ca -0.29 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.98 3nbs h LYS 88 Cb 1.12 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 3nbs h LYS 88 CO 1.04 0.30 -0.07 1.79 -2.27 0.00 0.00 179.45 180.24 3nbs h THR 89 N 0.47 1.25 -0.35 1.00 1.35 -1.95 -1.99 112.91 112.68 3nbs h THR 89 Ca 0.49 -1.09 -0.07 0.00 -0.55 0.00 0.00 66.41 65.19 3nbs h THR 89 Cb 0.83 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3nbs h THR 89 CO -0.45 0.38 -0.06 -0.33 -0.25 0.00 0.00 175.52 174.80 3nbs h GLU 90 N 0.69 0.67 -0.96 4.72 5.08 -1.54 -0.34 114.58 122.90 3nbs h GLU 90 Ca 0.13 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3nbs h GLU 90 Cb 0.53 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3nbs h GLU 90 CO 0.03 0.82 0.63 0.00 -1.00 0.00 0.00 179.01 179.49 3nbs h ARG 91 N 0.46 1.21 0.06 2.33 3.08 -1.12 0.32 114.38 120.72 3nbs h ARG 91 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3nbs h ARG 91 Cb 0.56 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3nbs h ARG 91 CO 0.03 0.80 -0.03 0.93 -1.07 0.00 0.00 179.97 180.63 3nbs h GLU 92 N 1.24 -0.08 -0.43 0.04 5.08 -1.11 -1.36 114.58 117.95 3nbs h GLU 92 Ca 0.37 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.78 3nbs h GLU 92 Cb -0.04 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3nbs h GLU 92 CO -0.11 0.25 0.21 -0.44 -1.00 0.00 0.00 179.01 177.92 3nbs h ASP 93 N -0.42 0.30 -0.65 1.42 3.32 -0.66 -0.90 116.42 118.83 3nbs h ASP 93 Ca -0.01 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.09 3nbs h ASP 93 Cb 0.37 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3nbs h ASP 93 CO 0.01 0.21 0.41 0.25 -1.72 0.00 0.00 179.24 178.40 3nbs h LEU 94 N 0.42 0.67 -0.91 1.55 5.85 -0.36 -2.06 115.31 120.47 3nbs h LEU 94 Ca 0.19 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 3nbs h LEU 94 Cb 0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3nbs h LEU 94 CO -0.14 0.47 0.18 0.40 -0.34 0.00 0.00 178.44 179.01 3nbs h ILE 95 N 0.80 1.24 -0.26 4.05 2.04 -0.62 -1.21 117.51 123.56 3nbs h ILE 95 Ca 0.26 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3nbs h ILE 95 Cb -0.00 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3nbs h ILE 95 CO -0.09 0.33 0.11 0.00 0.00 0.00 0.00 178.15 178.49 3nbs h ALA 96 N 1.25 0.33 -0.56 1.87 0.00 -0.76 0.85 119.26 122.25 3nbs h ALA 96 Ca 0.21 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3nbs h ALA 96 Cb 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3nbs h ALA 96 CO -0.00 -0.08 0.34 -0.92 0.00 0.00 0.00 179.25 178.58 3nbs h TYR 97 N 0.27 0.63 -0.65 0.00 3.20 -1.05 -1.47 116.97 117.90 3nbs h TYR 97 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3nbs h TYR 97 Cb 0.16 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 3nbs h TYR 97 CO -0.01 0.35 0.31 -0.07 -1.64 0.00 0.00 178.16 177.10 3nbs h LEU 98 N 0.66 0.84 -1.39 2.82 3.38 -0.96 0.11 115.31 120.78 3nbs h LEU 98 Ca 0.23 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3nbs h LEU 98 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3nbs h LEU 98 CO -0.11 0.74 0.43 0.50 0.09 0.00 0.00 178.44 180.09 3nbs h LYS 99 N 0.89 0.79 0.09 1.13 3.64 -0.28 -0.01 116.57 122.83 3nbs h LYS 99 Ca 0.22 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3nbs h LYS 99 Cb 0.12 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3nbs h LYS 99 CO -0.03 0.52 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.41 3nbs h LYS 100 N 0.81 -0.12 0.00 1.90 3.64 -0.57 -3.32 116.57 118.92 3nbs h LYS 100 Ca 0.25 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.57 3nbs h LYS 100 Cb -0.01 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3nbs h LYS 100 CO -0.06 0.39 -0.30 0.00 -2.27 0.00 0.00 179.45 177.21 3nbs h ALA 101 N -0.28 1.37 -0.01 5.00 0.00 -0.71 -2.28 119.26 122.35 3nbs h ALA 101 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3nbs h ALA 101 Cb 0.57 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3nbs h ALA 101 CO 0.02 0.38 -0.14 0.25 0.00 0.00 0.00 179.25 179.76 3nbs n THR 102 N -3.98 0.00 -0.05 0.00 -2.24 -0.03 -3.96 114.28 104.03 3nbs n THR 102 Ca -0.02 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.57 3nbs n THR 102 Cb 0.37 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 3nbs n THR 102 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3nbs n ASN 103 N -0.49 2.46 -0.00 3.42 3.02 -1.16 -5.08 115.26 117.43 3nbs n ASN 103 Ca 0.15 -0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.86 3nbs n ASN 103 Cb 0.32 0.75 0.95 0.00 -0.61 0.00 0.00 39.78 41.19 3nbs n ASN 103 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80