#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 0.13 1.61 3.68 -1.26 -4.97 116.67 122.14 3nbs s ASP 2 Ca 0.00 -0.65 -0.20 0.00 2.13 0.00 0.00 52.55 53.83 3nbs s ASP 2 Cb 0.00 -2.35 -0.02 0.00 -1.45 0.00 0.00 42.92 39.10 3nbs s ASP 2 CO 0.00 -1.01 1.70 0.58 0.13 0.00 0.00 175.17 176.57 3nbs h VAL 3 N 5.92 0.78 -0.82 1.11 2.07 -2.05 -1.24 116.25 122.03 3nbs h VAL 3 Ca -0.27 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3nbs h VAL 3 Cb 1.09 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3nbs h VAL 3 CO 1.01 0.00 0.49 -0.08 0.02 0.00 0.00 177.57 179.01 3nbs h GLU 4 N -0.01 0.87 -0.30 1.57 4.81 -2.00 0.15 114.58 119.68 3nbs h GLU 4 Ca 0.10 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 3nbs h GLU 4 Cb 0.16 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3nbs h GLU 4 CO -0.22 0.57 -0.23 0.87 -0.73 0.00 0.00 179.01 179.27 3nbs h LYS 5 N 0.89 0.68 -0.16 1.92 1.57 -1.95 -2.97 116.57 116.56 3nbs h LYS 5 Ca 0.36 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3nbs h LYS 5 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3nbs h LYS 5 CO -0.18 0.94 0.09 0.78 -0.57 0.00 0.00 179.45 180.51 3nbs h GLY 6 N 0.43 0.22 1.09 3.86 0.00 -0.58 -1.59 103.07 106.50 3nbs h GLY 6 Ca 0.05 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 3nbs h GLY 6 CO 0.06 0.08 -0.19 1.70 0.00 0.00 0.00 176.54 178.20 3nbs h LYS 7 N 0.21 0.97 -0.38 4.80 3.64 -0.86 -1.18 116.57 123.78 3nbs h LYS 7 Ca 0.06 -0.41 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 3nbs h LYS 7 Cb 0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3nbs h LYS 7 CO -0.01 1.08 0.01 -0.22 -2.27 0.00 0.00 179.45 178.04 3nbs h LYS 8 N 0.83 0.67 -0.46 1.90 3.64 -1.18 -1.30 116.57 120.67 3nbs h LYS 8 Ca 0.11 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3nbs h LYS 8 Cb 0.76 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3nbs h LYS 8 CO 0.06 0.76 0.28 0.82 -2.27 0.00 0.00 179.45 179.10 3nbs h ILE 9 N 0.49 1.14 -0.37 2.00 2.04 -1.28 -1.78 117.51 119.75 3nbs h ILE 9 Ca 0.11 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.67 3nbs h ILE 9 Cb 0.45 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3nbs h ILE 9 CO 0.02 0.14 0.22 0.15 0.00 0.00 0.00 178.15 178.68 3nbs h PHE 10 N 0.61 0.41 -0.29 1.37 3.57 -1.01 0.50 116.94 122.11 3nbs h PHE 10 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3nbs h PHE 10 Cb -0.02 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 3nbs h PHE 10 CO -0.03 0.24 0.15 0.28 -2.23 0.00 0.00 178.31 176.72 3nbs h VAL 11 N 0.45 1.09 0.13 1.41 2.07 -0.97 0.25 116.25 120.68 3nbs h VAL 11 Ca 0.15 -0.24 -0.35 0.00 0.82 0.00 0.00 66.70 67.08 3nbs h VAL 11 Cb 0.00 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3nbs h VAL 11 CO -0.07 0.10 -1.86 1.56 0.02 0.00 0.00 177.57 177.32 3nbs h GLN 12 N 0.39 0.27 0.00 1.57 4.20 -0.80 -3.38 115.11 117.36 3nbs h GLN 12 Ca 0.10 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3nbs h GLN 12 Cb 0.01 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3nbs h GLN 12 CO -0.02 1.15 -1.05 1.63 -0.67 0.00 0.00 178.83 179.87 3nbs n LYS 13 N -3.46 1.42 0.00 1.46 4.76 0.12 -4.82 118.16 117.64 3nbs n LYS 13 Ca -0.27 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 3nbs n LYS 13 Cb 1.05 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.96 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 2.01 0.00 0.00 0.00 -0.82 -0.12 119.26 120.32 3nbs h ALA 15 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3nbs h ALA 15 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3nbs h ALA 15 CO 0.00 -0.71 -0.30 -0.56 0.00 0.00 0.00 179.25 177.68 3nbs h GLN 16 N 0.00 0.00 0.00 0.00 -0.00 -1.85 -3.31 115.11 109.95 3nbs h GLN 16 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.79 3nbs h GLN 16 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 3nbs h GLN 16 CO -0.00 0.30 -1.27 0.00 -0.00 0.00 0.00 178.83 177.86 3nbs s HIS 18 N -2.30 2.17 0.06 0.00 3.76 -0.40 -1.27 115.29 117.31 3nbs s HIS 18 Ca -0.02 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.57 3nbs s HIS 18 Cb 0.03 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.42 3nbs s HIS 18 CO 0.22 0.16 -0.21 0.95 -0.85 0.00 0.00 174.74 175.00 3nbs s THR 19 N -0.86 2.56 -0.07 1.30 -4.23 -1.26 -4.25 115.64 108.82 3nbs s THR 19 Ca 0.11 -1.35 0.11 0.00 -1.18 0.00 0.00 61.69 59.38 3nbs s THR 19 Cb -0.10 -2.08 -0.16 0.00 1.34 0.00 0.00 72.50 71.51 3nbs s THR 19 CO 0.03 0.29 0.25 1.33 -0.54 0.00 0.00 174.62 175.98 3nbs n VAL 20 N 1.44 0.00 -1.78 2.29 0.24 -1.26 -1.18 118.33 118.08 3nbs n VAL 20 Ca -0.16 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.34 61.49 3nbs n VAL 20 Cb 0.52 0.34 0.02 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.65 3.70 0.21 7.34 8.01 -1.26 -3.58 118.70 130.48 3nbs s GLU 21 Ca -0.03 2.46 -0.32 0.00 0.01 0.00 0.00 54.97 57.09 3nbs s GLU 21 Cb 0.07 -2.68 -0.12 0.00 -4.31 0.00 0.00 34.13 27.09 3nbs s GLU 21 CO 0.44 -0.82 1.72 0.21 0.01 0.00 0.00 175.26 176.82 3nbs s LYS 22 N -2.43 4.12 0.00 1.61 2.47 -1.26 0.99 119.74 125.24 3nbs s LYS 22 Ca 0.60 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.62 3nbs s LYS 22 Cb -0.44 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 3nbs s LYS 22 CO 0.58 -0.75 0.00 0.41 0.16 0.00 0.00 175.35 175.75 3nbs n GLY 23 N 3.90 1.11 3.64 5.54 0.00 -1.26 -5.00 105.19 113.13 3nbs n GLY 23 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 0.06 3.79 -0.02 0.00 0.28 -4.95 105.19 102.34 3nbs n GLY 24 Ca 0.00 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3nbs n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3nbs s LYS 25 N -2.10 3.22 0.21 1.61 2.47 -1.26 -4.70 119.74 119.19 3nbs s LYS 25 Ca 0.63 1.32 -0.22 0.00 -1.56 0.00 0.00 55.97 56.14 3nbs s LYS 25 Cb -0.54 -2.01 -0.08 0.00 -1.46 0.00 0.00 37.83 33.74 3nbs s LYS 25 CO 0.57 -0.91 0.76 -1.01 0.16 0.00 0.00 175.35 174.92 3nbs s HIS 26 N -2.29 3.75 0.00 4.03 3.76 -1.26 -4.22 115.29 119.06 3nbs s HIS 26 Ca 0.66 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 57.08 3nbs s HIS 26 Cb -0.18 -2.70 0.00 0.00 1.11 0.00 0.00 32.58 30.81 3nbs s HIS 26 CO 0.35 0.40 0.00 1.63 -0.85 0.00 0.00 174.74 176.27 3nbs n LYS 27 N 1.06 2.48 -0.19 1.40 4.76 -1.26 -4.94 118.16 121.48 3nbs n LYS 27 Ca -0.03 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.53 3nbs n LYS 27 Cb 0.50 0.00 0.45 0.00 -1.84 0.00 0.00 35.03 34.14 3nbs n LYS 27 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3nbs h THR 28 N 0.00 0.84 -1.35 -0.18 2.02 -1.84 -3.41 112.91 109.00 3nbs h THR 28 Ca 0.00 -0.19 -0.57 0.00 0.77 0.00 0.00 66.41 66.42 3nbs h THR 28 Cb 0.00 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 66.59 3nbs h THR 28 CO 0.00 0.10 -0.46 -0.83 0.37 0.00 0.00 175.52 174.70 3nbs s GLY 29 N -3.73 2.37 0.42 2.16 0.00 -0.40 -5.06 107.32 103.08 3nbs s GLY 29 Ca -0.09 -1.85 -0.14 0.00 0.00 0.00 0.00 44.72 42.65 3nbs s GLY 29 CO 0.77 -1.92 0.83 2.56 0.00 0.00 0.00 173.10 175.35 3nbs s PRO 30 N -3.98 3.90 0.48 2.90 0.04 -1.26 -4.64 135.00 132.44 3nbs s PRO 30 Ca 0.38 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.87 3nbs s PRO 30 Cb 0.02 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 3nbs s PRO 30 CO 0.22 -0.06 1.34 -1.71 0.04 0.00 0.00 177.00 176.83 3nbs n ASN 31 N -1.13 2.79 -0.76 6.66 2.85 -1.26 -4.48 115.26 119.94 3nbs n ASN 31 Ca 0.04 1.06 0.09 0.00 -0.11 0.00 0.00 54.58 55.66 3nbs n ASN 31 Cb 0.54 -1.56 0.10 0.00 1.24 0.00 0.00 39.78 40.10 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 -0.36 2.65 -4.71 1.20 4.77 -0.33 -4.96 117.00 115.26 3nbs n LEU 32 Ca 0.08 -1.17 -0.41 0.00 -0.03 0.00 0.00 56.01 54.47 3nbs n LEU 32 Cb 0.42 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3nbs n LEU 32 CO 0.57 0.51 0.92 1.57 -1.33 0.00 0.00 177.39 179.63 3nbs n HIS 33 N 1.01 2.29 -1.81 -1.77 -0.00 -1.23 -1.68 115.22 112.03 3nbs n HIS 33 Ca 0.12 0.51 -0.14 0.00 0.46 0.00 0.00 57.72 58.67 3nbs n HIS 33 Cb 0.46 -2.41 -0.03 0.00 -0.12 0.00 0.00 29.99 27.88 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 0.75 0.67 0.32 1.57 0.00 -1.26 -4.92 105.19 102.33 3nbs n GLY 34 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 0.88 -8.98 0.99 5.85 -1.71 -3.39 115.31 108.95 3nbs h LEU 35 Ca -0.30 -0.13 -0.57 0.00 0.84 0.00 0.00 57.88 57.72 3nbs h LEU 35 Cb 1.06 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3nbs h LEU 35 CO 0.40 0.80 1.05 -0.36 -0.34 0.00 0.00 178.44 179.99 3nbs s PHE 36 N -5.42 2.40 0.00 1.25 0.40 -1.26 -1.58 117.98 113.78 3nbs s PHE 36 Ca -0.11 0.71 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 3nbs s PHE 36 Cb 0.16 -3.96 0.00 0.00 0.51 0.00 0.00 43.02 39.73 3nbs s PHE 36 CO 0.81 -2.28 0.00 0.41 0.70 0.00 0.00 175.22 174.86 3nbs n GLY 37 N 4.52 0.49 3.87 4.36 0.00 -0.40 -5.03 105.19 113.00 3nbs n GLY 37 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 3.67 0.56 1.61 3.52 -0.62 -4.84 118.95 122.13 3nbs s ARG 38 Ca 0.00 0.08 -0.14 0.00 -0.13 0.00 0.00 55.73 55.54 3nbs s ARG 38 Cb 0.00 -3.11 -0.06 0.00 -1.56 0.00 0.00 34.95 30.22 3nbs s ARG 38 CO 0.00 0.66 1.01 0.15 -0.81 0.00 0.00 175.30 176.31 3nbs s LYS 39 N -1.52 3.75 0.53 5.12 1.02 -1.26 -0.41 119.74 126.97 3nbs s LYS 39 Ca 0.26 0.89 -0.22 0.00 0.02 0.00 0.00 55.97 56.92 3nbs s LYS 39 Cb -0.14 -2.10 -0.06 0.00 -0.52 0.00 0.00 37.83 35.01 3nbs s LYS 39 CO 0.14 -0.44 1.26 0.25 -0.92 0.00 0.00 175.35 175.64 3nbs n THR 40 N -2.09 3.57 -3.63 2.17 -2.24 -0.65 -3.74 114.28 107.67 3nbs n THR 40 Ca 0.06 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 3nbs n THR 40 Cb 0.54 -1.53 0.04 0.00 -2.10 0.00 0.00 70.33 67.28 3nbs n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3nbs n GLY 41 N 0.88 -0.47 0.00 3.38 0.00 -1.22 -4.80 105.19 102.96 3nbs n GLY 41 Ca 0.10 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.14 1.96 -1.64 1.61 1.13 -1.25 -4.84 117.38 110.21 3nbs n GLN 42 Ca -0.25 -0.24 -0.43 0.00 -1.94 0.00 0.00 57.00 54.14 3nbs n GLN 42 Cb 0.66 -0.71 -0.03 0.00 0.11 0.00 0.00 30.24 30.27 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 -0.35 2.79 0.29 -1.58 0.00 -1.26 -4.89 121.76 116.75 3nbs s ALA 43 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 3nbs s ALA 43 Cb 0.00 -4.06 -0.14 0.00 0.00 0.00 0.00 23.12 18.93 3nbs s ALA 43 CO 0.00 -2.71 1.15 -2.30 0.00 0.00 0.00 175.76 171.90 3nbs n PRO 44 N 8.66 1.65 -0.12 0.00 -0.02 -1.26 -2.45 135.00 141.46 3nbs n PRO 44 Ca 0.29 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3nbs n PRO 44 Cb 0.45 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.26 2.13 3.86 -1.23 0.00 -1.26 -5.03 105.19 104.91 3nbs n GLY 45 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.91 3.48 -0.52 1.61 5.36 -1.02 -5.07 117.98 118.91 3nbs s PHE 46 Ca 0.00 0.35 -0.15 0.00 -0.96 0.00 0.00 56.93 56.17 3nbs s PHE 46 Cb 0.00 -1.83 0.12 0.00 -0.34 0.00 0.00 43.02 40.97 3nbs s PHE 46 CO 0.00 0.64 0.46 0.99 -1.46 0.00 0.00 175.22 175.85 3nbs s THR 47 N -1.21 5.06 0.63 0.12 2.01 -1.26 -4.95 115.64 116.03 3nbs s THR 47 Ca 0.23 -1.49 -0.07 0.00 0.31 0.00 0.00 61.69 60.67 3nbs s THR 47 Cb -0.12 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.18 3nbs s THR 47 CO 0.14 -0.82 0.95 -0.31 -0.69 0.00 0.00 174.62 173.89 3nbs s TYR 48 N 1.57 3.17 0.63 4.92 2.02 -1.26 -5.09 117.35 123.32 3nbs s TYR 48 Ca 0.03 0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 57.28 3nbs s TYR 48 Cb -0.29 -2.89 0.01 0.00 -0.40 0.00 0.00 41.96 38.39 3nbs s TYR 48 CO 0.03 -1.01 0.98 0.95 -1.57 0.00 0.00 175.55 174.92 3nbs s THR 49 N -3.09 3.60 0.45 -0.71 -4.23 -1.26 -4.85 115.64 105.54 3nbs s THR 49 Ca 0.56 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 61.38 3nbs s THR 49 Cb -0.11 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.49 3nbs s THR 49 CO 0.46 -0.53 2.04 0.44 -0.54 0.00 0.00 174.62 176.48 3nbs h ASP 50 N -0.36 0.17 -0.02 3.99 3.32 -1.97 0.66 116.42 122.21 3nbs h ASP 50 Ca -0.45 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3nbs h ASP 50 Cb 1.25 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3nbs h ASP 50 CO 0.62 0.21 0.01 0.00 -1.72 0.00 0.00 179.24 178.36 3nbs h ALA 51 N 1.81 0.03 -0.02 3.45 0.00 -1.87 0.15 119.26 122.81 3nbs h ALA 51 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3nbs h ALA 51 Cb 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3nbs h ALA 51 CO 0.00 -0.44 -0.58 -0.97 0.00 0.00 0.00 179.25 177.26 3nbs h ASN 52 N -0.03 0.07 0.19 0.00 -0.00 -1.80 -1.35 115.58 112.66 3nbs h ASN 52 Ca 0.01 -0.04 -0.12 0.00 -0.00 0.00 0.00 56.30 56.15 3nbs h ASN 52 Cb 0.06 -0.02 -0.01 0.00 -0.00 0.00 0.00 38.32 38.35 3nbs h ASN 52 CO -0.00 0.63 -0.45 0.50 -0.00 0.00 0.00 177.43 178.11 3nbs h LYS 53 N 0.05 0.32 -0.16 6.67 3.64 -0.50 -3.22 116.57 123.37 3nbs h LYS 53 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3nbs h LYS 53 Cb 1.03 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3nbs h LYS 53 CO 0.08 0.72 0.00 0.09 -2.27 0.00 0.00 179.45 178.06 3nbs n ASN 54 N -3.99 2.48 -0.31 4.20 3.02 0.49 -4.65 115.26 116.49 3nbs n ASN 54 Ca -0.02 -1.72 0.14 0.00 -0.03 0.00 0.00 54.58 52.96 3nbs n ASN 54 Cb 0.52 -0.10 0.31 0.00 -0.61 0.00 0.00 39.78 39.90 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 2.59 0.14 -2.70 3.52 1.63 -1.33 -3.46 116.57 116.96 3nbs h LYS 55 Ca 0.00 -0.01 -0.17 0.00 -0.85 0.00 0.00 60.65 59.63 3nbs h LYS 55 Cb 0.64 -0.03 0.05 0.00 -0.60 0.00 0.00 32.23 32.28 3nbs h LYS 55 CO 0.00 0.10 -0.27 0.41 -3.45 0.00 0.00 179.45 176.24 3nbs n GLY 56 N -1.40 0.29 3.42 5.01 0.00 -1.26 -5.06 105.19 106.20 3nbs n GLY 56 Ca 0.23 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.02 1.25 -0.18 -0.61 -5.25 -1.26 -5.00 121.20 107.13 3nbs s ILE 57 Ca 0.20 -2.03 -0.04 0.00 -0.99 0.00 0.00 60.65 57.79 3nbs s ILE 57 Cb -0.09 -2.65 -0.03 0.00 2.95 0.00 0.00 42.46 42.65 3nbs s ILE 57 CO 0.25 -0.12 -0.02 -0.89 -1.79 0.00 0.00 174.94 172.37 3nbs s THR 58 N -3.26 3.89 0.03 8.37 2.01 -1.26 -1.64 115.64 123.78 3nbs s THR 58 Ca 0.34 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 3nbs s THR 58 Cb 0.07 -2.73 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 3nbs s THR 58 CO 0.14 0.46 1.40 0.26 -0.69 0.00 0.00 174.62 176.19 3nbs s TRP 59 N 0.67 2.96 0.12 4.92 0.23 0.46 -4.68 118.94 123.61 3nbs s TRP 59 Ca -0.01 0.85 -0.25 0.00 -2.03 0.00 0.00 56.10 54.66 3nbs s TRP 59 Cb -0.14 -3.67 0.08 0.00 0.03 0.00 0.00 33.47 29.77 3nbs s TRP 59 CO 0.02 -2.43 1.08 -1.59 0.96 0.00 0.00 176.95 174.99 3nbs s LYS 60 N 2.02 1.00 0.18 4.98 -2.85 -1.26 -1.27 119.74 122.55 3nbs s LYS 60 Ca 0.64 -0.60 -0.20 0.00 -1.00 0.00 0.00 55.97 54.81 3nbs s LYS 60 Cb -0.33 0.31 0.11 0.00 -2.06 0.00 0.00 37.83 35.87 3nbs s LYS 60 CO 0.28 -0.46 1.40 0.39 0.10 0.00 0.00 175.35 177.05 3nbs n GLU 61 N -0.58 -0.28 0.24 1.78 4.71 -1.26 -0.82 120.64 124.43 3nbs n GLU 61 Ca -0.05 1.38 -0.16 0.00 -0.01 0.00 0.00 57.16 58.33 3nbs n GLU 61 Cb 0.61 -2.04 -0.08 0.00 -1.01 0.00 0.00 31.44 28.91 3nbs n GLU 61 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 3nbs h GLU 62 N 0.00 -0.56 -0.83 3.49 4.11 -1.97 -0.71 114.58 118.10 3nbs h GLU 62 Ca 0.25 0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.70 3nbs h GLU 62 Cb 0.48 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3nbs h GLU 62 CO -0.88 -0.37 0.46 1.79 0.07 0.00 0.00 179.01 180.07 3nbs h THR 63 N -0.58 1.25 -0.57 -1.06 1.35 -1.71 -2.55 112.91 109.02 3nbs h THR 63 Ca -0.05 -0.61 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 3nbs h THR 63 Cb 0.46 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 3nbs h THR 63 CO 0.08 0.27 0.17 -0.07 -0.25 0.00 0.00 175.52 175.72 3nbs h LEU 64 N 1.16 0.81 -0.60 3.87 3.38 -0.86 0.07 115.31 123.13 3nbs h LEU 64 Ca 0.29 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3nbs h LEU 64 Cb 0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3nbs h LEU 64 CO -0.05 0.77 0.36 0.24 0.09 0.00 0.00 178.44 179.85 3nbs h MET 65 N 0.84 0.81 0.02 1.13 2.86 -0.72 0.16 114.93 120.04 3nbs h MET 65 Ca 0.19 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3nbs h MET 65 Cb 0.26 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3nbs h MET 65 CO -0.01 0.59 -0.01 1.49 1.06 0.00 0.00 176.91 180.03 3nbs h GLU 66 N 0.81 -0.03 0.03 1.72 4.81 -1.26 -3.14 114.58 117.52 3nbs h GLU 66 Ca 0.21 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3nbs h GLU 66 Cb -0.01 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3nbs h GLU 66 CO -0.04 0.54 -0.29 -0.92 -0.73 0.00 0.00 179.01 177.57 3nbs h TYR 67 N -0.63 -0.79 -0.12 0.92 3.20 -0.89 -2.71 116.97 115.96 3nbs h TYR 67 Ca -0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3nbs h TYR 67 Cb 0.59 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.19 3nbs h TYR 67 CO 0.13 -0.39 0.11 -0.07 -1.64 0.00 0.00 178.16 176.30 3nbs h LEU 68 N -0.46 0.00 -1.07 2.82 3.38 -0.79 -1.05 115.31 118.14 3nbs h LEU 68 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3nbs h LEU 68 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3nbs h LEU 68 CO -0.23 0.00 -0.29 -0.08 0.09 0.00 0.00 178.44 177.94 3nbs h GLU 69 N 0.00 0.30 -0.76 1.13 4.81 -1.42 -3.41 114.58 115.23 3nbs h GLU 69 Ca 0.06 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3nbs h GLU 69 Cb 0.28 -0.02 -0.19 0.00 0.63 0.00 0.00 28.75 29.45 3nbs h GLU 69 CO -0.00 0.57 -0.32 1.21 -0.73 0.00 0.00 179.01 179.74 3nbs s ASN 70 N -6.86 -1.19 0.15 1.04 3.84 -0.50 -5.08 114.94 106.35 3nbs s ASN 70 Ca -0.05 -0.38 -0.23 0.00 0.21 0.00 0.00 52.86 52.40 3nbs s ASN 70 Cb 0.14 1.58 0.03 0.00 -0.55 0.00 0.00 41.25 42.45 3nbs s ASN 70 CO 0.77 -0.16 1.62 -0.65 -2.79 0.00 0.00 177.10 175.88 3nbs h PRO 71 N 6.87 -0.27 -0.95 0.43 0.11 -1.52 -2.31 132.00 134.36 3nbs h PRO 71 Ca 0.01 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.21 3nbs h PRO 71 Cb 1.19 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 3nbs h PRO 71 CO 0.05 -0.18 0.60 -0.22 -0.21 0.00 0.00 178.00 178.04 3nbs h LYS 72 N -0.28 1.04 -0.24 1.05 1.63 -1.82 0.10 116.57 118.05 3nbs h LYS 72 Ca 0.14 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3nbs h LYS 72 Cb 0.50 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3nbs h LYS 72 CO -0.43 0.68 0.11 -0.22 -3.45 0.00 0.00 179.45 176.15 3nbs h LYS 73 N 1.07 0.34 -0.07 1.90 3.64 -1.83 -0.43 116.57 121.19 3nbs h LYS 73 Ca 0.42 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.56 3nbs h LYS 73 Cb 0.22 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3nbs h LYS 73 CO -0.19 0.35 -0.75 -0.92 -2.27 0.00 0.00 179.45 175.68 3nbs h TYR 74 N 0.25 0.54 -2.34 1.91 3.20 -0.97 -3.37 116.97 116.18 3nbs h TYR 74 Ca 0.08 -0.24 -0.59 0.00 3.14 0.00 0.00 58.73 61.12 3nbs h TYR 74 Cb 0.12 -0.08 -0.40 0.00 1.54 0.00 0.00 36.73 37.91 3nbs h TYR 74 CO -0.02 1.00 -0.85 -0.89 -1.64 0.00 0.00 178.16 175.76 3nbs n ILE 75 N -3.83 0.32 -1.68 1.81 5.41 0.31 -5.07 119.36 116.64 3nbs n ILE 75 Ca -0.04 -4.31 -0.53 0.00 1.00 0.00 0.00 62.75 58.87 3nbs n ILE 75 Cb 0.72 -1.96 -0.06 0.00 -0.71 0.00 0.00 39.64 37.63 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 1.74 1.46 0.00 0.38 -0.02 -0.18 -0.55 135.00 137.84 3nbs n PRO 76 Ca 0.25 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3nbs n PRO 76 Cb 0.46 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 3.85 1.32 3.72 -1.23 0.00 -1.26 -4.81 105.19 106.79 3nbs n GLY 77 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.07 4.71 0.14 2.61 -1.32 0.29 -4.81 115.64 115.19 3nbs s THR 78 Ca 0.00 1.95 -0.25 0.00 -1.21 0.00 0.00 61.69 62.18 3nbs s THR 78 Cb 0.00 -4.27 0.08 0.00 -1.51 0.00 0.00 72.50 66.80 3nbs s THR 78 CO 0.00 0.26 1.05 -1.59 -2.21 0.00 0.00 174.62 172.13 3nbs s LYS 79 N 0.41 1.12 -0.18 7.08 -2.85 -1.26 -4.63 119.74 119.44 3nbs s LYS 79 Ca 0.47 -0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 54.71 3nbs s LYS 79 Cb -0.22 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 35.87 3nbs s LYS 79 CO 0.27 -0.52 0.01 1.41 0.10 0.00 0.00 175.35 176.62 3nbs s MET 80 N -2.66 3.79 -0.19 1.78 -2.45 -1.26 -5.03 119.30 113.28 3nbs s MET 80 Ca 0.17 -0.45 -0.07 0.00 -1.25 0.00 0.00 55.69 54.10 3nbs s MET 80 Cb -0.01 -3.07 -0.04 0.00 1.25 0.00 0.00 34.83 32.96 3nbs s MET 80 CO 0.03 0.21 0.05 0.42 1.05 0.00 0.00 175.02 176.78 3nbs s ILE 81 N 0.49 4.60 -0.18 10.11 1.01 -1.26 -5.04 121.20 130.93 3nbs s ILE 81 Ca -0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.27 3nbs s ILE 81 Cb -0.14 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 3nbs s ILE 81 CO 0.02 0.44 2.03 -0.36 0.00 0.00 0.00 174.94 177.07 3nbs s PHE 82 N 0.59 1.39 -0.06 3.97 0.08 -1.26 -4.88 117.98 117.81 3nbs s PHE 82 Ca 0.03 0.34 -0.35 0.00 0.12 0.00 0.00 56.93 57.07 3nbs s PHE 82 Cb -0.13 -4.03 -0.13 0.00 -0.57 0.00 0.00 43.02 38.16 3nbs s PHE 82 CO 0.01 -4.11 1.79 0.00 -0.10 0.00 0.00 175.22 172.82 3nbs n ALA 83 N 10.22 0.78 -1.57 5.36 0.00 -1.26 -4.97 120.51 129.08 3nbs n ALA 83 Ca 0.25 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 3nbs n ALA 83 Cb 0.44 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.52 3nbs n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3nbs s GLY 84 N 3.32 1.66 -0.36 0.00 0.00 -1.26 -5.03 107.32 105.65 3nbs s GLY 84 Ca 0.91 0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.69 3nbs s GLY 84 CO 0.51 0.37 0.10 -0.42 0.00 0.00 0.00 173.10 173.66 3nbs s ILE 85 N -3.06 2.61 0.25 0.90 1.01 -1.26 -4.99 121.20 116.66 3nbs s ILE 85 Ca 0.58 -2.26 0.10 0.00 0.00 0.00 0.00 60.65 59.08 3nbs s ILE 85 Cb -0.14 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3nbs s ILE 85 CO 0.55 -0.63 1.58 0.11 0.00 0.00 0.00 174.94 176.55 3nbs h LYS 86 N 7.75 0.00 -6.25 2.79 1.79 -2.02 -3.45 116.57 117.18 3nbs h LYS 86 Ca -0.07 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.84 3nbs h LYS 86 Cb 1.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 3nbs h LYS 86 CO 0.58 0.64 0.81 0.21 -1.08 0.00 0.00 179.45 180.62 3nbs s LYS 87 N -3.52 4.29 0.17 3.15 2.20 -1.26 -4.93 119.74 119.83 3nbs s LYS 87 Ca -0.01 1.72 -0.14 0.00 -0.36 0.00 0.00 55.97 57.19 3nbs s LYS 87 Cb 0.12 -3.66 0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3nbs s LYS 87 CO 0.77 -0.58 1.78 -0.22 -0.36 0.00 0.00 175.35 176.73 3nbs h LYS 88 N 7.89 0.75 -0.23 4.03 3.64 -2.00 -2.26 116.57 128.39 3nbs h LYS 88 Ca -0.32 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 3nbs h LYS 88 Cb 1.14 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 3nbs h LYS 88 CO 0.92 0.58 -0.06 1.79 -2.27 0.00 0.00 179.45 180.41 3nbs h THR 89 N 0.72 1.18 -0.31 1.00 1.35 -1.99 -0.65 112.91 114.21 3nbs h THR 89 Ca 0.19 -0.74 -0.09 0.00 -0.55 0.00 0.00 66.41 65.22 3nbs h THR 89 Cb 0.05 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 3nbs h THR 89 CO -0.03 0.24 -0.16 -0.33 -0.25 0.00 0.00 175.52 174.99 3nbs h GLU 90 N 0.34 0.66 -0.50 4.72 5.08 -1.89 -0.83 114.58 122.17 3nbs h GLU 90 Ca 0.07 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 3nbs h GLU 90 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3nbs h GLU 90 CO 0.01 0.89 0.15 0.00 -1.00 0.00 0.00 179.01 179.07 3nbs h ARG 91 N 0.43 0.75 -0.38 2.33 3.08 -1.02 0.23 114.38 119.79 3nbs h ARG 91 Ca 0.07 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 3nbs h ARG 91 Cb 0.69 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3nbs h ARG 91 CO 0.05 0.65 -0.13 0.93 -1.07 0.00 0.00 179.97 180.40 3nbs h GLU 92 N 0.73 0.77 -0.36 0.04 5.08 -0.90 -1.63 114.58 118.30 3nbs h GLU 92 Ca 0.17 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 3nbs h GLU 92 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3nbs h GLU 92 CO -0.01 0.93 -0.31 -0.44 -1.00 0.00 0.00 179.01 178.18 3nbs h ASP 93 N 0.57 0.82 -0.66 1.42 3.32 -0.75 -1.69 116.42 119.44 3nbs h ASP 93 Ca 0.09 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 3nbs h ASP 93 Cb 0.67 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 3nbs h ASP 93 CO 0.05 1.07 0.10 0.25 -1.72 0.00 0.00 179.24 178.98 3nbs h LEU 94 N 0.67 1.07 -0.68 1.55 5.85 -0.87 -1.84 115.31 121.06 3nbs h LEU 94 Ca 0.08 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.39 3nbs h LEU 94 Cb 0.84 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3nbs h LEU 94 CO 0.07 1.06 -0.54 0.40 -0.34 0.00 0.00 178.44 179.09 3nbs h ILE 95 N 1.03 1.35 -0.55 4.05 2.04 -1.17 0.07 117.51 124.33 3nbs h ILE 95 Ca 0.20 -1.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 3nbs h ILE 95 Cb 0.46 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 3nbs h ILE 95 CO 0.02 0.55 0.09 0.00 0.00 0.00 0.00 178.15 178.80 3nbs h ALA 96 N 1.17 0.73 -0.54 1.87 0.00 -1.10 0.61 119.26 122.00 3nbs h ALA 96 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3nbs h ALA 96 Cb 1.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3nbs h ALA 96 CO 0.09 0.47 -0.13 -0.92 0.00 0.00 0.00 179.25 178.76 3nbs h TYR 97 N 0.80 1.16 -0.39 0.00 3.20 -1.06 -2.44 116.97 118.24 3nbs h TYR 97 Ca 0.17 -0.25 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3nbs h TYR 97 Cb 0.41 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3nbs h TYR 97 CO 0.03 1.08 0.08 -0.07 -1.64 0.00 0.00 178.16 177.64 3nbs h LEU 98 N 0.91 0.60 -1.23 2.82 3.38 -0.54 -0.39 115.31 120.86 3nbs h LEU 98 Ca 0.14 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3nbs h LEU 98 Cb 0.70 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 3nbs h LEU 98 CO 0.05 0.69 0.54 0.50 0.09 0.00 0.00 178.44 180.31 3nbs h LYS 99 N 0.48 0.92 0.07 1.13 3.64 0.35 -1.28 116.57 121.89 3nbs h LYS 99 Ca 0.12 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3nbs h LYS 99 Cb 0.33 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3nbs h LYS 99 CO 0.00 0.61 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.54 3nbs h LYS 100 N 0.95 -0.09 -0.20 1.90 3.64 -1.18 -3.31 116.57 118.28 3nbs h LYS 100 Ca 0.35 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 3nbs h LYS 100 Cb 0.16 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3nbs h LYS 100 CO -0.12 0.46 -0.45 0.00 -2.27 0.00 0.00 179.45 177.08 3nbs h ALA 101 N -0.23 0.86 0.00 5.00 0.00 -1.02 -2.64 119.26 121.23 3nbs h ALA 101 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3nbs h ALA 101 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3nbs h ALA 101 CO 0.02 0.65 0.00 0.25 0.00 0.00 0.00 179.25 180.17 3nbs n THR 102 N -4.00 0.02 -0.31 0.00 -2.24 -0.49 -3.23 114.28 104.02 3nbs n THR 102 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.78 3nbs n THR 102 Cb 0.53 -0.54 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 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 -1.07 1.76 -0.16 3.42 3.02 -1.06 -5.08 115.26 116.10 3nbs n ASN 103 Ca 0.20 -2.03 0.02 0.00 -0.03 0.00 0.00 54.58 52.75 3nbs n ASN 103 Cb 0.13 -0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.26 3nbs n ASN 103 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80