#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6b s LEU 1 N 0.00 4.34 0.21 0.99 2.96 -1.26 -1.25 118.68 124.67 3b6b s LEU 1 Ca 0.00 2.23 0.03 0.00 -0.22 0.00 0.00 54.13 56.17 3b6b s LEU 1 Cb 0.00 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 3b6b s LEU 1 CO 0.00 -0.72 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.20 3b6b s GLN 2 N 2.04 1.27 0.01 1.98 -0.21 -0.52 -4.89 119.66 119.33 3b6b s GLN 2 Ca 0.65 -1.63 0.07 0.00 0.02 0.00 0.00 55.36 54.48 3b6b s GLN 2 Cb -0.34 -0.55 -0.03 0.00 1.00 0.00 0.00 33.01 33.09 3b6b s GLN 2 CO 0.28 -0.09 -0.21 1.03 -2.12 0.00 0.00 175.29 174.19 3b6b s ARG 3 N -3.86 2.11 0.11 2.91 0.52 -1.26 -2.15 118.95 117.33 3b6b s ARG 3 Ca 0.26 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 3b6b s ARG 3 Cb 0.05 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 3b6b s ARG 3 CO 0.07 0.56 -0.07 -0.08 0.02 0.00 0.00 175.30 175.79 3b6b s THR 4 N -0.78 0.80 -0.18 0.02 -1.32 -0.37 -4.75 115.64 109.06 3b6b s THR 4 Ca 0.12 -1.94 -0.06 0.00 -1.21 0.00 0.00 61.69 58.61 3b6b s THR 4 Cb -0.10 -1.69 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 3b6b s THR 4 CO 0.02 -0.83 0.02 -0.22 -2.21 0.00 0.00 174.62 171.40 3b6b s LEU 5 N -3.02 3.55 -0.06 9.08 2.96 -1.26 -1.67 118.68 128.26 3b6b s LEU 5 Ca 0.12 -0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.06 3b6b s LEU 5 Cb 0.04 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3b6b s LEU 5 CO -0.03 0.15 -0.25 -0.69 -1.32 0.00 0.00 176.35 174.21 3b6b s VAL 6 N 0.49 2.03 -0.15 1.68 1.01 0.32 -1.57 120.40 124.21 3b6b s VAL 6 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 3b6b s VAL 6 Cb -0.13 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3b6b s VAL 6 CO 0.02 0.56 -0.06 -0.76 0.00 0.00 0.00 175.10 174.86 3b6b s LEU 7 N -0.13 3.09 -0.25 3.92 1.43 -0.24 -0.30 118.68 126.21 3b6b s LEU 7 Ca -0.04 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 52.69 3b6b s LEU 7 Cb -0.14 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3b6b s LEU 7 CO 0.04 0.16 0.48 -0.63 0.23 0.00 0.00 176.35 176.64 3b6b s ILE 8 N 0.38 5.10 0.50 -0.59 -1.09 0.53 -1.40 121.20 124.63 3b6b s ILE 8 Ca -0.06 0.83 -0.06 0.00 -2.23 0.00 0.00 60.65 59.13 3b6b s ILE 8 Cb -0.15 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3b6b s ILE 8 CO 0.04 0.13 0.82 -0.54 -1.23 0.00 0.00 174.94 174.15 3b6b s LYS 9 N 2.07 3.47 0.41 2.79 1.02 0.44 -2.25 119.74 127.69 3b6b s LYS 9 Ca 0.20 0.21 0.20 0.00 0.02 0.00 0.00 55.97 56.60 3b6b s LYS 9 Cb -0.16 -2.34 1.13 0.00 -0.52 0.00 0.00 37.83 35.94 3b6b s LYS 9 CO 0.09 -0.29 1.79 -1.35 -0.92 0.00 0.00 175.35 174.67 3b6b h PRO 10 N 0.14 0.36 0.00 -1.68 0.11 -1.81 -0.08 132.00 129.03 3b6b h PRO 10 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3b6b h PRO 10 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3b6b h PRO 10 CO 0.61 0.24 -0.14 0.38 -0.21 0.00 0.00 178.00 178.88 3b6b h ASP 11 N 0.37 0.00 0.01 -2.05 2.03 -1.91 -1.83 116.42 113.04 3b6b h ASP 11 Ca 0.57 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.73 3b6b h ASP 11 Cb 1.50 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.99 3b6b h ASP 11 CO -0.25 0.14 -0.43 0.00 -1.03 0.00 0.00 179.24 177.67 3b6b h ALA 12 N 1.86 0.86 -0.18 4.15 0.00 -1.27 -1.50 119.26 123.19 3b6b h ALA 12 Ca -0.00 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3b6b h ALA 12 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3b6b h ALA 12 CO 0.02 0.65 -0.36 0.74 0.00 0.00 0.00 179.25 180.30 3b6b h PHE 13 N 0.42 0.70 -0.73 0.00 -1.00 -1.41 0.11 116.94 115.04 3b6b h PHE 13 Ca 0.03 -0.25 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 3b6b h PHE 13 Cb 0.92 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 3b6b h PHE 13 CO 0.03 0.99 0.43 1.49 -1.61 0.00 0.00 178.31 179.65 3b6b h GLU 14 N 0.21 0.99 -0.33 1.51 4.22 -1.29 -2.75 114.58 117.13 3b6b h GLU 14 Ca 0.01 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.36 3b6b h GLU 14 Cb 0.95 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3b6b h GLU 14 CO 0.08 0.70 0.00 0.54 -2.18 0.00 0.00 179.01 178.15 3b6b n ARG 15 N -4.39 2.26 -3.58 1.92 1.74 -0.57 -4.96 116.66 109.08 3b6b n ARG 15 Ca 0.08 -1.90 -0.21 0.00 -0.77 0.00 0.00 57.85 55.04 3b6b n ARG 15 Cb 0.07 -1.47 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 3b6b n ARG 15 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3b6b n SER 16 N 1.11 -3.73 -0.35 0.55 7.64 -0.86 -4.93 113.62 113.06 3b6b n SER 16 Ca 0.18 -0.64 0.04 0.00 1.01 0.00 0.00 58.87 59.46 3b6b n SER 16 Cb 0.51 -4.81 0.10 0.00 -1.01 0.00 0.00 64.21 59.00 3b6b n SER 16 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3b6b n LEU 17 N -4.52 2.57 0.21 -3.43 4.77 0.34 -4.76 117.00 112.19 3b6b n LEU 17 Ca -0.15 -2.15 -0.15 0.00 -0.03 0.00 0.00 56.01 53.53 3b6b n LEU 17 Cb 0.62 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 3b6b n LEU 17 CO 0.65 0.63 0.72 0.58 -1.33 0.00 0.00 177.39 178.64 3b6b h VAL 18 N 1.02 0.54 -0.60 4.08 2.07 -1.92 -1.13 116.25 120.32 3b6b h VAL 18 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3b6b h VAL 18 Cb 0.71 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3b6b h VAL 18 CO 0.02 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.69 3b6b h ALA 19 N 0.10 1.01 -0.47 1.67 0.00 -1.94 -1.07 119.26 118.56 3b6b h ALA 19 Ca -0.03 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3b6b h ALA 19 Cb 0.45 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3b6b h ALA 19 CO 0.03 0.63 0.16 1.49 0.00 0.00 0.00 179.25 181.55 3b6b h GLU 20 N 0.93 0.32 0.03 0.00 4.57 -1.82 0.49 114.58 119.10 3b6b h GLU 20 Ca 0.19 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3b6b h GLU 20 Cb 0.42 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3b6b h GLU 20 CO 0.01 0.21 -0.01 0.82 -1.18 0.00 0.00 179.01 178.86 3b6b h ILE 21 N 0.33 1.20 -0.53 2.32 2.04 -0.83 -2.66 117.51 119.39 3b6b h ILE 21 Ca 0.23 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3b6b h ILE 21 Cb 0.24 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3b6b h ILE 21 CO -0.24 0.19 0.24 0.24 0.00 0.00 0.00 178.15 178.58 3b6b h MET 22 N -0.36 0.74 -0.91 2.37 2.86 -1.06 -2.59 114.93 115.98 3b6b h MET 22 Ca -0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3b6b h MET 22 Cb 0.33 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3b6b h MET 22 CO 0.01 0.59 0.54 0.78 1.06 0.00 0.00 176.91 179.89 3b6b h GLY 23 N 0.86 1.33 1.30 8.32 0.00 0.03 -0.63 103.07 114.29 3b6b h GLY 23 Ca 0.18 -0.56 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3b6b h GLY 23 CO -0.02 0.55 0.01 3.21 0.00 0.00 0.00 176.54 180.28 3b6b h ARG 24 N 1.26 0.85 -0.24 4.80 3.08 -1.10 -0.85 114.38 122.18 3b6b h ARG 24 Ca 0.33 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 60.01 3b6b h ARG 24 Cb -0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 3b6b h ARG 24 CO -0.06 0.84 -0.39 0.82 -1.07 0.00 0.00 179.97 180.11 3b6b h ILE 25 N 0.79 1.31 -0.76 2.04 2.04 -1.40 -3.09 117.51 118.45 3b6b h ILE 25 Ca 0.15 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.42 3b6b h ILE 25 Cb 0.47 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3b6b h ILE 25 CO 0.02 0.50 0.50 -0.08 0.00 0.00 0.00 178.15 179.09 3b6b h GLU 26 N 0.40 1.00 0.00 2.37 4.81 -0.95 -2.39 114.58 119.82 3b6b h GLU 26 Ca 0.02 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3b6b h GLU 26 Cb 0.98 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.14 3b6b h GLU 26 CO 0.09 0.67 -0.08 0.87 -0.73 0.00 0.00 179.01 179.83 3b6b h LYS 27 N 1.03 0.00 -0.20 1.92 1.57 -1.19 -1.35 116.57 118.35 3b6b h LYS 27 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3b6b h LYS 27 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3b6b h LYS 27 CO -0.06 0.08 0.00 1.17 -0.57 0.00 0.00 179.45 180.07 3b6b n LYS 28 N -3.32 1.58 -1.67 3.15 3.00 -0.91 -4.93 118.16 115.06 3b6b n LYS 28 Ca -0.01 -0.88 -0.04 0.00 -0.00 0.00 0.00 58.31 57.38 3b6b n LYS 28 Cb 0.27 -1.29 -0.01 0.00 0.00 0.00 0.00 35.03 34.01 3b6b n LYS 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3b6b n ASN 29 N 0.16 -2.59 -4.86 3.14 4.05 -0.51 -5.05 115.26 109.60 3b6b n ASN 29 Ca 0.12 0.04 -0.34 0.00 0.45 0.00 0.00 54.58 54.85 3b6b n ASN 29 Cb 0.24 -1.34 -0.06 0.00 1.23 0.00 0.00 39.78 39.86 3b6b n ASN 29 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 3b6b s PHE 30 N -2.18 3.53 -0.05 1.20 0.40 -1.17 -4.88 117.98 114.83 3b6b s PHE 30 Ca 0.00 0.93 0.03 0.00 -0.60 0.00 0.00 56.93 57.29 3b6b s PHE 30 Cb 0.00 -2.28 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 3b6b s PHE 30 CO 0.00 0.38 -0.13 0.15 0.70 0.00 0.00 175.22 176.32 3b6b s LYS 31 N -2.31 2.55 -0.08 0.44 -0.14 -0.39 -4.49 119.74 115.31 3b6b s LYS 31 Ca 0.41 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 54.05 3b6b s LYS 31 Cb -0.13 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 3b6b s LYS 31 CO 0.20 0.62 1.37 0.42 -0.76 0.00 0.00 175.35 177.20 3b6b s ILE 32 N -0.72 3.98 -0.23 2.17 1.01 -1.26 -0.25 121.20 125.89 3b6b s ILE 32 Ca 0.11 1.26 0.06 0.00 0.00 0.00 0.00 60.65 62.08 3b6b s ILE 32 Cb -0.11 -3.81 -0.18 0.00 0.01 0.00 0.00 42.46 38.37 3b6b s ILE 32 CO 0.01 -0.07 -0.14 0.52 0.00 0.00 0.00 174.94 175.26 3b6b n VAL 33 N 5.10 1.38 -3.77 2.92 0.31 0.49 -4.94 118.33 119.81 3b6b n VAL 33 Ca 0.14 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.72 3b6b n VAL 33 Cb 0.44 -1.12 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 3b6b n VAL 33 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3b6b s SER 34 N -6.09 -0.20 -0.22 4.52 0.01 -1.17 -4.98 113.70 105.56 3b6b s SER 34 Ca -0.26 0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.00 3b6b s SER 34 Cb 0.08 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.74 3b6b s SER 34 CO 0.63 -0.37 0.58 -0.32 0.41 0.00 0.00 173.24 174.16 3b6b s MET 35 N -1.02 0.64 0.00 12.44 0.00 -1.26 -0.47 119.30 129.63 3b6b s MET 35 Ca -0.11 0.89 0.04 0.00 0.00 0.00 0.00 55.69 56.51 3b6b s MET 35 Cb -0.05 0.23 -0.01 0.00 0.00 0.00 0.00 34.83 35.00 3b6b s MET 35 CO 0.03 -0.11 -0.13 0.15 0.00 0.00 0.00 175.02 174.97 3b6b s LYS 36 N 0.76 0.96 -0.20 4.11 1.02 -0.13 -5.01 119.74 121.26 3b6b s LYS 36 Ca -0.04 -0.53 -0.08 0.00 0.02 0.00 0.00 55.97 55.35 3b6b s LYS 36 Cb -0.05 -0.94 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 3b6b s LYS 36 CO -0.06 0.25 0.07 0.12 -0.92 0.00 0.00 175.35 174.81 3b6b s PHE 37 N -0.45 3.21 -0.25 3.18 5.36 -1.26 -1.35 117.98 126.42 3b6b s PHE 37 Ca 0.04 -0.02 -0.01 0.00 -0.96 0.00 0.00 56.93 55.98 3b6b s PHE 37 Cb -0.06 -2.13 0.03 0.00 -0.34 0.00 0.00 43.02 40.53 3b6b s PHE 37 CO -0.00 0.04 -0.06 -1.58 -1.46 0.00 0.00 175.22 172.15 3b6b s TRP 38 N 0.69 3.10 0.37 10.12 0.52 -0.00 -4.98 118.94 128.75 3b6b s TRP 38 Ca 0.04 -1.67 0.05 0.00 0.02 0.00 0.00 56.10 54.53 3b6b s TRP 38 Cb -0.13 -2.05 0.70 0.00 -1.15 0.00 0.00 33.47 30.84 3b6b s TRP 38 CO 0.02 -0.76 1.98 0.66 0.02 0.00 0.00 176.95 178.87 3b6b h SER 39 N 7.98 0.56 -2.74 2.95 4.64 -1.92 -0.28 113.55 124.75 3b6b h SER 39 Ca -0.31 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 60.82 3b6b h SER 39 Cb 1.10 -0.14 -0.30 0.00 -0.31 0.00 0.00 62.40 62.75 3b6b h SER 39 CO 0.56 0.48 -0.44 -0.75 -0.87 0.00 0.00 176.83 175.81 3b6b s LYS 40 N -5.39 0.25 0.24 4.77 2.20 -1.26 -2.80 119.74 117.75 3b6b s LYS 40 Ca -0.09 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 3b6b s LYS 40 Cb 0.17 0.14 -0.09 0.00 -1.51 0.00 0.00 37.83 36.54 3b6b s LYS 40 CO 0.75 -0.26 1.01 0.00 -0.36 0.00 0.00 175.35 176.50 3b6b s ALA 41 N 2.41 3.36 0.20 3.13 0.00 -1.26 -4.98 121.76 124.62 3b6b s ALA 41 Ca -0.01 0.73 -0.33 0.00 0.00 0.00 0.00 51.96 52.35 3b6b s ALA 41 Cb -0.12 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 3b6b s ALA 41 CO -0.11 0.03 1.54 -2.30 0.00 0.00 0.00 175.76 174.93 3b6b n PRO 42 N 1.53 2.21 -0.27 0.00 -0.02 -1.26 -4.82 135.00 132.38 3b6b n PRO 42 Ca -0.01 0.79 0.14 0.00 -2.02 0.00 0.00 63.50 62.40 3b6b n PRO 42 Cb 0.46 -2.54 0.41 0.00 -0.02 0.00 0.00 33.50 31.81 3b6b n PRO 42 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3b6b h ARG 43 N 5.40 0.60 -1.00 -0.52 2.43 -1.97 -1.54 114.38 117.80 3b6b h ARG 43 Ca -0.45 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 58.69 3b6b h ARG 43 Cb 1.25 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 3b6b h ARG 43 CO 0.85 0.40 0.65 -0.97 -1.51 0.00 0.00 179.97 179.39 3b6b h ASN 44 N 0.62 1.15 -0.48 -3.80 -0.73 -1.99 0.71 115.58 111.06 3b6b h ASN 44 Ca 0.47 -0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.56 3b6b h ASN 44 Cb 0.86 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.14 3b6b h ASN 44 CO -0.22 0.84 0.13 -0.07 -0.37 0.00 0.00 177.43 177.75 3b6b h LEU 45 N 1.35 0.72 -0.15 0.34 4.07 -1.66 -1.53 115.31 118.45 3b6b h LEU 45 Ca 0.36 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 3b6b h LEU 45 Cb -0.14 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.40 3b6b h LEU 45 CO -0.08 0.75 0.09 0.40 -1.08 0.00 0.00 178.44 178.53 3b6b h ILE 46 N 0.65 1.07 -0.58 1.22 1.08 -1.00 0.40 117.51 120.35 3b6b h ILE 46 Ca 0.15 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 64.43 3b6b h ILE 46 Cb 0.30 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 3b6b h ILE 46 CO -0.00 0.06 0.26 -0.33 -0.69 0.00 0.00 178.15 177.45 3b6b h GLU 47 N 0.18 0.83 -0.33 2.37 5.08 -0.80 -1.03 114.58 120.88 3b6b h GLU 47 Ca 0.06 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3b6b h GLU 47 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3b6b h GLU 47 CO -0.01 0.66 -0.19 0.37 -1.00 0.00 0.00 179.01 178.84 3b6b h GLN 48 N 0.83 0.71 -0.70 2.33 4.15 -1.09 -1.12 115.11 120.22 3b6b h GLN 48 Ca 0.20 -0.32 0.01 0.00 0.77 0.00 0.00 58.65 59.30 3b6b h GLN 48 Cb 0.12 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3b6b h GLN 48 CO -0.02 0.93 0.46 1.25 -1.93 0.00 0.00 178.83 179.52 3b6b h HIS 49 N 0.48 0.89 -0.83 3.99 2.76 -0.37 -2.80 115.15 119.27 3b6b h HIS 49 Ca 0.07 0.02 -0.40 0.00 -2.20 0.00 0.00 60.37 57.86 3b6b h HIS 49 Cb 0.73 -0.30 -0.24 0.00 1.55 0.00 0.00 27.41 29.15 3b6b h HIS 49 CO 0.06 0.56 0.45 0.66 -1.30 0.00 0.00 177.93 178.37 3b6b n TYR 50 N -4.59 2.58 -0.23 5.26 4.02 -0.44 -4.68 117.16 119.08 3b6b n TYR 50 Ca 0.06 -1.69 0.12 0.00 -0.01 0.00 0.00 57.90 56.37 3b6b n TYR 50 Cb 0.02 -0.82 0.40 0.00 -0.02 0.00 0.00 39.34 38.93 3b6b n TYR 50 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 176.86 177.42 3b6b h LYS 51 N 1.26 0.62 0.00 -0.72 2.10 -0.92 -0.44 116.57 118.47 3b6b h LYS 51 Ca 0.50 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 3b6b h LYS 51 Cb 2.55 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 33.74 3b6b h LYS 51 CO 0.91 0.41 0.00 0.39 -2.00 0.00 0.00 179.45 179.16 3b6b n GLU 52 N -4.52 0.01 -0.10 0.07 1.02 -1.26 -2.18 120.64 113.68 3b6b n GLU 52 Ca 0.15 0.30 0.07 0.00 -0.02 0.00 0.00 57.16 57.66 3b6b n GLU 52 Cb 0.43 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.47 3b6b n GLU 52 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3b6b n HIS 53 N -1.49 0.26 0.27 -0.32 8.25 -0.18 -4.75 115.22 117.26 3b6b n HIS 53 Ca 0.03 -0.23 0.18 0.00 -0.26 0.00 0.00 57.72 57.44 3b6b n HIS 53 Cb 0.13 -0.01 0.93 0.00 1.12 0.00 0.00 29.99 32.16 3b6b n HIS 53 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3b6b h SER 54 N 2.60 0.00 -0.44 0.41 4.64 -1.45 0.32 113.55 119.64 3b6b h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b6b h SER 54 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3b6b h SER 54 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3b6b n GLU 55 N -3.51 2.52 -2.90 4.77 4.71 -1.26 -4.90 120.64 120.07 3b6b n GLU 55 Ca -0.01 -2.30 -0.31 0.00 -0.01 0.00 0.00 57.16 54.53 3b6b n GLU 55 Cb 0.25 -1.52 -0.04 0.00 -1.01 0.00 0.00 31.44 29.12 3b6b n GLU 55 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3b6b s GLN 56 N -1.43 3.87 0.52 3.49 -1.52 0.10 -4.98 119.66 119.71 3b6b s GLN 56 Ca 0.40 0.58 0.25 0.00 -1.95 0.00 0.00 55.36 54.64 3b6b s GLN 56 Cb 0.23 -2.38 1.42 0.00 -0.22 0.00 0.00 33.01 32.06 3b6b s GLN 56 CO 0.32 -0.00 2.09 0.66 -0.25 0.00 0.00 175.29 178.11 3b6b h SER 57 N 1.53 0.00 0.16 5.90 4.64 -1.93 -2.80 113.55 121.05 3b6b h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3b6b h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3b6b h SER 57 CO 0.64 0.11 -0.26 0.00 -0.87 0.00 0.00 176.83 176.45 3b6b n TYR 58 N -3.85 0.00 0.01 4.77 0.18 -1.26 -4.58 117.16 112.43 3b6b n TYR 58 Ca -0.02 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.65 3b6b n TYR 58 Cb 0.21 -0.08 -0.04 0.00 -0.38 0.00 0.00 39.34 39.04 3b6b n TYR 58 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 176.86 175.13 3b6b h PHE 59 N 1.62 -0.80 -0.37 -3.48 3.04 -1.72 -0.46 116.94 114.77 3b6b h PHE 59 Ca 0.00 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 3b6b h PHE 59 Cb 0.56 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.42 3b6b h PHE 59 CO 0.00 -0.37 -0.12 -0.91 -2.02 0.00 0.00 178.31 174.89 3b6b h ASN 60 N -0.38 0.75 -0.81 0.41 2.35 -1.83 -1.74 115.58 114.33 3b6b h ASN 60 Ca 0.09 -0.38 -0.04 0.00 -0.55 0.00 0.00 56.30 55.43 3b6b h ASN 60 Cb 0.52 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 3b6b h ASN 60 CO -0.32 0.96 0.36 -0.78 -1.65 0.00 0.00 177.43 176.00 3b6b h ASP 61 N 0.54 1.08 -0.55 5.81 3.58 -1.83 0.03 116.42 125.08 3b6b h ASP 61 Ca 0.09 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 3b6b h ASP 61 Cb 0.64 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 3b6b h ASP 61 CO 0.04 0.93 0.32 -1.13 -2.88 0.00 0.00 179.24 176.52 3b6b h ASN 62 N 1.16 0.68 -0.67 2.28 -0.00 -0.94 -0.87 115.58 117.22 3b6b h ASN 62 Ca 0.27 -0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.48 3b6b h ASN 62 Cb 0.15 -0.17 -0.03 0.00 -0.00 0.00 0.00 38.32 38.27 3b6b h ASN 62 CO -0.03 0.56 0.36 0.00 -0.00 0.00 0.00 177.43 178.32 3b6b h ASP 64 N 0.92 0.13 -0.49 0.00 3.32 -0.68 -2.07 116.42 117.56 3b6b h ASP 64 Ca 0.23 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.31 3b6b h ASP 64 Cb 0.06 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3b6b h ASP 64 CO -0.04 0.10 0.15 0.15 -1.72 0.00 0.00 179.24 177.88 3b6b h PHE 65 N 0.32 0.79 0.00 4.55 3.04 -0.68 -2.48 116.94 122.49 3b6b h PHE 65 Ca 0.24 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3b6b h PHE 65 Cb 0.28 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.56 3b6b h PHE 65 CO -0.18 0.70 0.00 0.52 -2.02 0.00 0.00 178.31 177.33 3b6b h MET 66 N 0.66 0.00 -0.34 1.11 2.86 -0.58 -1.23 114.93 117.41 3b6b h MET 66 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3b6b h MET 66 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3b6b h MET 66 CO -0.00 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.30 3b6b n VAL 67 N -2.62 0.73 1.06 -2.22 0.24 -0.82 -4.58 118.33 110.11 3b6b n VAL 67 Ca 0.00 -0.87 0.13 0.00 -2.04 0.00 0.00 64.34 61.57 3b6b n VAL 67 Cb 0.18 0.71 0.62 0.00 -1.47 0.00 0.00 33.84 33.89 3b6b n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3b6b n SER 68 N 0.84 0.00 -2.06 -1.34 3.41 -0.47 -4.81 113.62 109.20 3b6b n SER 68 Ca 0.14 0.32 -0.01 0.00 -0.26 0.00 0.00 58.87 59.05 3b6b n SER 68 Cb 0.45 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3b6b n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b6b n GLY 69 N 1.25 0.88 3.75 5.00 0.00 -1.26 -5.08 105.19 109.73 3b6b n GLY 69 Ca 0.09 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 3b6b n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3b6b s PRO 70 N -2.02 2.29 0.07 1.61 0.02 -1.12 -4.56 135.00 131.29 3b6b s PRO 70 Ca 0.11 1.37 0.02 0.00 0.02 0.00 0.00 61.00 62.52 3b6b s PRO 70 Cb -0.01 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3b6b s PRO 70 CO 0.02 -1.64 -0.07 0.96 -0.33 0.00 0.00 177.00 175.94 3b6b s ILE 71 N -2.54 0.62 -0.11 2.83 -4.36 -0.11 -2.98 121.20 114.54 3b6b s ILE 71 Ca 0.66 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 3b6b s ILE 71 Cb -0.21 -1.14 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 3b6b s ILE 71 CO 0.49 -0.62 -0.16 -0.63 0.24 0.00 0.00 174.94 174.26 3b6b s ILE 72 N -2.48 2.77 -0.16 8.37 1.01 -0.95 -0.82 121.20 128.93 3b6b s ILE 72 Ca 0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 3b6b s ILE 72 Cb -0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3b6b s ILE 72 CO -0.02 0.54 0.03 -0.94 0.00 0.00 0.00 174.94 174.54 3b6b s SER 73 N 0.26 5.36 -0.02 3.58 1.04 -0.46 -0.34 113.70 123.12 3b6b s SER 73 Ca -0.11 0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.39 3b6b s SER 73 Cb -0.16 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.13 3b6b s SER 73 CO 0.06 0.22 -0.08 -0.63 0.98 0.00 0.00 173.24 173.79 3b6b s ILE 74 N 0.09 0.70 -0.26 -1.02 1.01 0.59 -0.96 121.20 121.35 3b6b s ILE 74 Ca 0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3b6b s ILE 74 Cb -0.13 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.68 3b6b s ILE 74 CO 0.01 0.22 0.21 -0.69 0.00 0.00 0.00 174.94 174.69 3b6b s VAL 75 N 0.10 5.31 0.07 2.92 1.01 0.38 -0.52 120.40 129.66 3b6b s VAL 75 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3b6b s VAL 75 Cb -0.07 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3b6b s VAL 75 CO 0.00 0.28 0.05 -0.31 0.00 0.00 0.00 175.10 175.11 3b6b s TYR 76 N 1.51 3.13 -0.01 5.22 1.51 -0.67 -0.38 117.35 127.66 3b6b s TYR 76 Ca 0.09 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.24 3b6b s TYR 76 Cb -0.15 -1.61 -0.01 0.00 -0.11 0.00 0.00 41.96 40.08 3b6b s TYR 76 CO 0.08 0.51 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.91 3b6b s GLU 77 N -2.23 0.99 0.00 -0.62 2.12 0.65 -1.24 118.70 118.37 3b6b s GLU 77 Ca 0.27 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.18 3b6b s GLU 77 Cb -0.12 -0.95 0.00 0.00 0.26 0.00 0.00 34.13 33.32 3b6b s GLU 77 CO 0.19 0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 3b6b n GLY 78 N 2.84 -0.77 3.68 -1.50 0.00 -0.91 -1.27 105.19 107.27 3b6b n GLY 78 Ca -0.14 -1.13 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3b6b n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b6b s THR 79 N -2.00 2.76 -1.56 2.61 2.01 -1.26 -1.44 115.64 116.76 3b6b s THR 79 Ca 0.00 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.08 3b6b s THR 79 Cb 0.00 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.44 3b6b s THR 79 CO 0.00 -0.00 0.37 -0.67 -0.69 0.00 0.00 174.62 173.63 3b6b n ASP 80 N 6.22 -5.65 -0.33 3.53 2.03 -0.38 -4.85 116.55 117.11 3b6b n ASP 80 Ca 0.18 -0.18 0.05 0.00 0.52 0.00 0.00 54.79 55.36 3b6b n ASP 80 Cb 0.39 -4.63 0.20 0.00 -0.72 0.00 0.00 41.12 36.37 3b6b n ASP 80 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3b6b h ALA 81 N 1.00 1.35 0.78 -1.67 0.00 -1.75 -1.12 119.26 117.86 3b6b h ALA 81 Ca -0.49 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3b6b h ALA 81 Cb 1.35 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3b6b h ALA 81 CO 0.55 0.19 -0.43 0.82 0.00 0.00 0.00 179.25 180.39 3b6b h ILE 82 N 0.92 0.14 -0.11 0.00 2.04 -1.88 -0.67 117.51 117.95 3b6b h ILE 82 Ca 0.45 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 66.18 3b6b h ILE 82 Cb 0.40 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3b6b h ILE 82 CO -0.25 0.00 -0.51 0.77 0.00 0.00 0.00 178.15 178.16 3b6b h SER 83 N -1.11 0.33 -0.37 1.72 4.64 -1.84 -2.30 113.55 114.61 3b6b h SER 83 Ca -0.10 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 3b6b h SER 83 Cb 0.88 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3b6b h SER 83 CO 0.14 0.78 -0.04 0.11 -0.87 0.00 0.00 176.83 176.95 3b6b h LYS 84 N 0.23 0.68 -0.07 4.77 1.79 -1.09 -0.76 116.57 122.13 3b6b h LYS 84 Ca 0.01 -0.24 -0.14 0.00 -2.18 0.00 0.00 60.65 58.10 3b6b h LYS 84 Cb 0.99 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3b6b h LYS 84 CO 0.08 0.81 -0.60 0.82 -1.08 0.00 0.00 179.45 179.49 3b6b h ILE 85 N 0.49 1.39 -0.54 1.86 2.04 -1.15 -1.53 117.51 120.07 3b6b h ILE 85 Ca 0.10 -1.97 0.05 0.00 1.00 0.00 0.00 64.86 64.04 3b6b h ILE 85 Cb 0.53 2.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 3b6b h ILE 85 CO 0.03 0.58 0.28 0.03 0.00 0.00 0.00 178.15 179.06 3b6b h ARG 86 N 0.17 0.52 -0.37 2.37 2.47 -1.25 0.52 114.38 118.80 3b6b h ARG 86 Ca -0.01 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.62 3b6b h ARG 86 Cb 1.09 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.28 3b6b h ARG 86 CO 0.09 0.34 -0.05 0.00 0.56 0.00 0.00 179.97 180.91 3b6b h ARG 87 N 0.54 0.61 -0.44 0.04 3.08 -0.73 -0.54 114.38 116.94 3b6b h ARG 87 Ca 0.24 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3b6b h ARG 87 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3b6b h ARG 87 CO -0.16 0.67 -0.08 1.25 -1.07 0.00 0.00 179.97 180.58 3b6b h LEU 88 N 0.57 0.83 0.17 3.04 5.85 -0.90 -2.96 115.31 121.92 3b6b h LEU 88 Ca 0.11 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3b6b h LEU 88 Cb 0.44 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3b6b h LEU 88 CO 0.02 0.99 -0.20 -0.61 -0.34 0.00 0.00 178.44 178.30 3b6b h GLN 89 N 0.66 -0.40 0.00 1.25 4.15 -0.49 0.16 115.11 120.45 3b6b h GLN 89 Ca 0.11 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.56 3b6b h GLN 89 Cb 0.61 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3b6b h GLN 89 CO 0.04 -0.27 0.00 0.41 -1.93 0.00 0.00 178.83 177.08 3b6b n GLY 90 N -1.32 2.01 3.54 2.39 0.00 -0.25 -1.54 105.19 110.03 3b6b n GLY 90 Ca -0.08 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 3b6b n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b6b s ASN 91 N -4.00 -0.14 0.00 1.61 2.20 -1.26 -4.79 114.94 108.57 3b6b s ASN 91 Ca 0.00 -0.74 0.13 0.00 -0.94 0.00 0.00 52.86 51.31 3b6b s ASN 91 Cb 0.00 0.57 0.61 0.00 -2.00 0.00 0.00 41.25 40.42 3b6b s ASN 91 CO 0.00 -1.08 1.39 2.30 -2.94 0.00 0.00 177.10 176.76 3b6b n ILE 92 N -0.34 0.90 0.17 0.54 -5.35 -1.26 -1.39 119.36 112.62 3b6b n ILE 92 Ca -0.06 0.22 0.11 0.00 -0.27 0.00 0.00 62.75 62.76 3b6b n ILE 92 Cb 0.62 -1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 37.49 3b6b n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3b6b n LEU 93 N -1.40 0.64 -4.16 7.28 4.77 -1.26 -4.64 117.00 118.22 3b6b n LEU 93 Ca 0.05 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.85 3b6b n LEU 93 Cb 0.13 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3b6b n LEU 93 CO 0.11 -0.11 -0.01 -0.89 -1.33 0.00 0.00 177.39 175.16 3b6b s THR 94 N -3.37 3.90 0.65 -5.08 2.01 -0.96 -5.02 115.64 107.78 3b6b s THR 94 Ca -0.01 -2.29 -0.17 0.00 0.31 0.00 0.00 61.69 59.53 3b6b s THR 94 Cb 0.11 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 3b6b s THR 94 CO 0.81 -0.80 1.25 -2.84 -0.69 0.00 0.00 174.62 172.35 3b6b s PRO 95 N 0.76 2.56 0.00 4.92 0.02 -1.26 -2.91 135.00 139.09 3b6b s PRO 95 Ca 0.11 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3b6b s PRO 95 Cb -0.22 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.44 3b6b s PRO 95 CO -0.03 -1.56 0.00 0.41 -0.33 0.00 0.00 177.00 175.49 3b6b n GLY 96 N 0.68 3.20 3.99 0.52 0.00 -1.26 -4.93 105.19 107.39 3b6b n GLY 96 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 3b6b n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3b6b s THR 97 N -2.83 3.10 0.08 2.61 -4.23 -1.15 -4.93 115.64 108.29 3b6b s THR 97 Ca 0.00 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.17 3b6b s THR 97 Cb 0.00 -3.05 -0.17 0.00 1.34 0.00 0.00 72.50 70.62 3b6b s THR 97 CO 0.00 -0.02 1.66 0.40 -0.54 0.00 0.00 174.62 176.12 3b6b h ILE 98 N 0.73 0.53 -0.28 2.99 2.04 -0.69 0.60 117.51 123.42 3b6b h ILE 98 Ca -0.41 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 3b6b h ILE 98 Cb 1.28 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3b6b h ILE 98 CO 0.48 0.00 -0.30 0.03 0.00 0.00 0.00 178.15 178.36 3b6b h ARG 99 N -0.63 0.58 -0.64 2.37 3.08 -1.50 -1.59 114.38 116.05 3b6b h ARG 99 Ca -0.06 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 3b6b h ARG 99 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3b6b h ARG 99 CO 0.09 0.81 0.15 0.78 -1.07 0.00 0.00 179.97 180.73 3b6b h GLY 100 N 1.02 1.09 1.58 0.04 0.00 -1.06 -1.43 103.07 104.31 3b6b h GLY 100 Ca 0.06 -0.67 -0.23 0.00 0.00 0.00 0.00 47.33 46.49 3b6b h GLY 100 CO 0.06 0.63 -1.23 -0.55 0.00 0.00 0.00 176.54 175.45 3b6b h ASP 101 N 0.97 0.00 0.00 0.19 3.32 -0.81 -3.39 116.42 116.70 3b6b h ASP 101 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3b6b h ASP 101 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3b6b h ASP 101 CO 0.00 0.93 -0.85 0.18 -1.72 0.00 0.00 179.24 177.78 3b6b n LEU 102 N -3.20 0.00 -4.55 1.55 4.77 -0.61 -5.07 117.00 109.90 3b6b n LEU 102 Ca -0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 3b6b n LEU 102 Cb 0.95 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.95 3b6b n LEU 102 CO 0.45 0.00 -0.42 0.00 -1.33 0.00 0.00 177.39 176.09 3b6b s ALA 103 N -1.71 2.89 -0.31 -1.18 0.00 -0.54 -5.03 121.76 115.89 3b6b s ALA 103 Ca 0.00 -1.60 0.17 0.00 0.00 0.00 0.00 51.96 50.52 3b6b s ALA 103 Cb 0.00 -0.60 0.45 0.00 0.00 0.00 0.00 23.12 22.97 3b6b s ALA 103 CO 0.00 0.39 1.36 -1.71 0.00 0.00 0.00 175.76 175.79 3b6b n ASN 104 N -0.23 -0.24 -3.80 0.00 5.15 -1.26 -4.70 115.26 110.18 3b6b n ASN 104 Ca -0.09 -2.17 -0.12 0.00 -0.60 0.00 0.00 54.58 51.60 3b6b n ASN 104 Cb 0.57 0.22 -0.10 0.00 -0.53 0.00 0.00 39.78 39.94 3b6b n ASN 104 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3b6b s ASP 105 N -2.22 -0.13 0.35 1.20 -1.08 -1.26 -5.04 116.67 108.50 3b6b s ASP 105 Ca 0.17 0.07 0.16 0.00 -0.52 0.00 0.00 52.55 52.42 3b6b s ASP 105 Cb 0.40 0.32 0.64 0.00 -1.46 0.00 0.00 42.92 42.81 3b6b s ASP 105 CO -0.09 -0.36 1.73 -0.29 0.52 0.00 0.00 175.17 176.69 3b6b h ILE 106 N 4.16 1.11 0.00 4.11 6.09 -2.02 -3.38 117.51 127.58 3b6b h ILE 106 Ca -0.29 -1.60 -0.31 0.00 -1.37 0.00 0.00 64.86 61.29 3b6b h ILE 106 Cb 1.19 1.91 -0.05 0.00 0.47 0.00 0.00 36.82 40.34 3b6b h ILE 106 CO 0.39 0.42 -2.00 -1.14 -3.07 0.00 0.00 178.15 172.76 3b6b n ARG 107 N -3.73 0.41 -2.80 2.19 0.63 -1.26 -4.81 116.66 107.29 3b6b n ARG 107 Ca -0.01 0.18 -0.43 0.00 -0.92 0.00 0.00 57.85 56.67 3b6b n ARG 107 Cb 0.51 -1.19 -0.01 0.00 0.45 0.00 0.00 32.46 32.21 3b6b n ARG 107 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3b6b s GLU 108 N -2.38 3.81 -0.10 -0.14 2.02 -1.26 -4.71 118.70 115.93 3b6b s GLU 108 Ca -0.27 -1.92 0.14 0.00 0.02 0.00 0.00 54.97 52.94 3b6b s GLU 108 Cb 0.10 -5.15 0.28 0.00 0.10 0.00 0.00 34.13 29.46 3b6b s GLU 108 CO 0.34 -1.94 1.14 0.27 0.02 0.00 0.00 175.26 175.09 3b6b n ASN 109 N 7.05 1.49 0.00 -0.19 0.23 -1.26 -4.07 115.26 118.51 3b6b n ASN 109 Ca 0.34 -2.92 0.00 0.00 -0.53 0.00 0.00 54.58 51.47 3b6b n ASN 109 Cb 0.47 -0.39 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3b6b n ASN 109 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3b6b n LEU 110 N -0.77 0.00 -3.80 -4.53 4.77 -1.26 -4.80 117.00 106.61 3b6b n LEU 110 Ca 0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3b6b n LEU 110 Cb 0.74 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.71 3b6b n LEU 110 CO -0.01 0.00 -0.14 -0.51 -1.33 0.00 0.00 177.39 175.40 3b6b s ILE 111 N 0.00 -0.00 -0.06 -0.08 2.07 -1.26 -0.42 121.20 121.45 3b6b s ILE 111 Ca 0.00 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3b6b s ILE 111 Cb 0.00 -0.30 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 3b6b s ILE 111 CO 0.00 0.00 -0.04 -2.28 -1.91 0.00 0.00 174.94 170.71 3b6b s HIS 112 N 0.20 3.00 0.01 3.50 5.65 -0.50 -4.97 115.29 122.17 3b6b s HIS 112 Ca -0.01 0.06 0.03 0.00 0.25 0.00 0.00 55.06 55.39 3b6b s HIS 112 Cb -0.02 -1.71 -0.01 0.00 -1.18 0.00 0.00 32.58 29.66 3b6b s HIS 112 CO -0.00 0.39 -0.08 0.00 -0.65 0.00 0.00 174.74 174.39 3b6b s ALA 113 N -0.89 0.67 0.41 1.58 0.00 -1.26 -1.07 121.76 121.20 3b6b s ALA 113 Ca 0.14 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 51.40 3b6b s ALA 113 Cb -0.11 -0.12 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 3b6b s ALA 113 CO 0.03 0.13 1.18 0.43 0.00 0.00 0.00 175.76 177.54 3b6b n SER 114 N 2.55 2.13 -0.43 0.00 7.64 -0.61 -4.92 113.62 119.98 3b6b n SER 114 Ca -0.15 1.10 0.09 0.00 1.01 0.00 0.00 58.87 60.92 3b6b n SER 114 Cb 0.57 -1.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.32 3b6b n SER 114 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3b6b n ASP 115 N 0.38 1.81 -3.88 6.43 5.75 -1.26 -4.67 116.55 121.11 3b6b n ASP 115 Ca 0.07 -1.40 -0.08 0.00 -0.01 0.00 0.00 54.79 53.37 3b6b n ASP 115 Cb 0.39 0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 40.92 3b6b n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3b6b s SER 116 N -2.13 -0.20 0.16 -1.12 1.04 -1.26 -4.93 113.70 105.26 3b6b s SER 116 Ca 0.16 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 55.72 3b6b s SER 116 Cb 0.15 0.69 0.04 0.00 0.10 0.00 0.00 66.02 67.00 3b6b s SER 116 CO 0.47 -1.30 1.80 -0.33 0.98 0.00 0.00 173.24 174.86 3b6b h GLU 117 N 2.07 0.64 -0.40 4.02 5.08 -1.97 -0.40 114.58 123.63 3b6b h GLU 117 Ca -0.21 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 3b6b h GLU 117 Cb 1.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3b6b h GLU 117 CO 0.27 0.46 0.11 -0.44 -1.00 0.00 0.00 179.01 178.42 3b6b h ASP 118 N 0.64 0.59 0.11 1.42 3.32 -2.00 -1.95 116.42 118.55 3b6b h ASP 118 Ca 0.17 -0.22 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 3b6b h ASP 118 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3b6b h ASP 118 CO -0.03 0.65 -0.41 0.77 -1.72 0.00 0.00 179.24 178.50 3b6b h SER 119 N 0.50 0.40 0.39 6.45 4.64 -1.94 -1.81 113.55 122.18 3b6b h SER 119 Ca 0.13 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3b6b h SER 119 Cb 0.28 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3b6b h SER 119 CO -0.00 0.76 -0.19 0.00 -0.87 0.00 0.00 176.83 176.53 3b6b h ALA 120 N 1.26 -0.53 -0.62 5.18 0.00 -0.90 0.34 119.26 123.99 3b6b h ALA 120 Ca 0.03 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3b6b h ALA 120 Cb 0.85 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3b6b h ALA 120 CO 0.07 -0.76 0.18 0.28 0.00 0.00 0.00 179.25 179.02 3b6b h VAL 121 N -0.60 0.69 -0.36 0.00 2.07 -1.31 0.79 116.25 117.53 3b6b h VAL 121 Ca -0.05 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3b6b h VAL 121 Cb 0.45 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3b6b h VAL 121 CO 0.09 0.06 0.06 -0.78 0.02 0.00 0.00 177.57 177.02 3b6b h ASP 122 N 0.33 0.57 -0.32 0.57 3.58 -1.12 -2.01 116.42 118.03 3b6b h ASP 122 Ca 0.32 -0.26 -0.15 0.00 0.42 0.00 0.00 57.03 57.37 3b6b h ASP 122 Cb 0.45 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 3b6b h ASP 122 CO -0.37 0.68 -0.38 -0.33 -2.88 0.00 0.00 179.24 175.97 3b6b h GLU 123 N 0.44 0.81 -0.40 0.28 5.08 0.04 -2.02 114.58 118.82 3b6b h GLU 123 Ca 0.11 -0.45 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 3b6b h GLU 123 Cb 0.35 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3b6b h GLU 123 CO 0.01 1.09 0.16 0.82 -1.00 0.00 0.00 179.01 180.08 3b6b h ILE 124 N 0.59 0.90 -0.91 3.13 2.04 -0.87 -1.71 117.51 120.69 3b6b h ILE 124 Ca 0.04 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.91 3b6b h ILE 124 Cb 0.97 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3b6b h ILE 124 CO 0.09 0.06 0.58 -1.28 0.00 0.00 0.00 178.15 177.60 3b6b h SER 125 N 0.33 0.74 0.14 1.72 0.87 -1.20 0.43 113.55 116.58 3b6b h SER 125 Ca 0.18 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3b6b h SER 125 Cb 0.14 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3b6b h SER 125 CO -0.17 0.40 -0.07 0.40 -0.53 0.00 0.00 176.83 176.86 3b6b h ILE 126 N 0.80 0.99 0.00 2.23 2.04 -0.58 -2.91 117.51 120.09 3b6b h ILE 126 Ca 0.44 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 3b6b h ILE 126 Cb 0.58 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3b6b h ILE 126 CO -0.21 0.14 -1.13 -0.50 0.00 0.00 0.00 178.15 176.45 3b6b h TRP 127 N -0.47 0.00 -2.10 1.37 4.06 -1.14 -3.38 115.95 114.29 3b6b h TRP 127 Ca -0.02 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.37 3b6b h TRP 127 Cb 0.37 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.13 3b6b h TRP 127 CO 0.02 0.39 -0.89 1.19 -3.56 0.00 0.00 178.44 175.58 3b6b n PHE 128 N -2.88 1.61 0.31 0.49 3.72 0.15 -4.94 117.46 115.91 3b6b n PHE 128 Ca -0.05 -3.85 0.20 0.00 -0.05 0.00 0.00 57.45 53.69 3b6b n PHE 128 Cb 0.74 -0.45 0.97 0.00 -0.94 0.00 0.00 39.48 39.80 3b6b n PHE 128 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3b6b h PRO 129 N 3.77 0.00 0.00 -1.08 0.13 -1.67 -3.40 132.00 129.74 3b6b h PRO 129 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3b6b h PRO 129 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3b6b h PRO 129 CO 0.64 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.56