#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 4.37 0.12 0.99 1.43 -1.26 -1.93 118.68 122.39 3b6b s LEU 1 Ca 0.00 2.82 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 3b6b s LEU 1 Cb 0.00 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 3b6b s LEU 1 CO 0.00 -0.79 -0.07 -1.10 0.23 0.00 0.00 176.35 174.62 3b6b s GLN 2 N -0.78 0.92 0.00 1.70 -0.21 -0.60 -4.86 119.66 115.83 3b6b s GLN 2 Ca 0.59 -1.38 0.06 0.00 0.02 0.00 0.00 55.36 54.65 3b6b s GLN 2 Cb -0.44 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.22 3b6b s GLN 2 CO 0.48 -0.00 -0.19 1.03 -2.12 0.00 0.00 175.29 174.49 3b6b s ARG 3 N -3.82 2.19 0.12 2.91 1.81 -1.26 -2.08 118.95 118.82 3b6b s ARG 3 Ca 0.14 -0.89 0.04 0.00 -1.72 0.00 0.00 55.73 53.30 3b6b s ARG 3 Cb 0.05 -2.21 -0.04 0.00 -0.45 0.00 0.00 34.95 32.30 3b6b s ARG 3 CO -0.03 0.57 -0.11 -0.08 -0.68 0.00 0.00 175.30 174.98 3b6b s THR 4 N -0.80 1.09 -0.21 0.02 -1.32 -0.42 -4.74 115.64 109.26 3b6b s THR 4 Ca 0.13 -1.86 -0.08 0.00 -1.21 0.00 0.00 61.69 58.67 3b6b s THR 4 Cb -0.10 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 3b6b s THR 4 CO 0.02 -0.64 0.09 -0.22 -2.21 0.00 0.00 174.62 171.66 3b6b s LEU 5 N -2.81 3.83 -0.09 9.08 2.96 -1.26 -1.85 118.68 128.55 3b6b s LEU 5 Ca 0.11 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 3b6b s LEU 5 Cb -0.00 -1.99 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3b6b s LEU 5 CO 0.00 0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.30 3b6b s VAL 6 N 0.72 2.86 -0.14 1.68 1.01 0.40 -1.76 120.40 125.17 3b6b s VAL 6 Ca 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 3b6b s VAL 6 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3b6b s VAL 6 CO 0.02 0.56 -0.03 -0.76 0.00 0.00 0.00 175.10 174.88 3b6b s LEU 7 N -0.10 3.29 -0.25 3.92 1.43 0.18 -0.78 118.68 126.38 3b6b s LEU 7 Ca -0.03 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.85 3b6b s LEU 7 Cb -0.14 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 3b6b s LEU 7 CO 0.04 0.21 0.31 -0.63 0.23 0.00 0.00 176.35 176.50 3b6b s ILE 8 N 0.14 5.24 0.55 -0.59 1.01 0.01 -0.40 121.20 127.16 3b6b s ILE 8 Ca -0.01 0.46 -0.04 0.00 0.00 0.00 0.00 60.65 61.06 3b6b s ILE 8 Cb -0.14 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3b6b s ILE 8 CO 0.03 0.24 0.83 -0.54 0.00 0.00 0.00 174.94 175.50 3b6b s LYS 9 N 1.58 2.96 0.46 2.79 1.02 0.39 -2.49 119.74 126.46 3b6b s LYS 9 Ca 0.13 -0.15 0.15 0.00 0.02 0.00 0.00 55.97 56.12 3b6b s LYS 9 Cb -0.15 -2.36 1.10 0.00 -0.52 0.00 0.00 37.83 35.91 3b6b s LYS 9 CO 0.08 -0.57 2.02 -1.35 -0.92 0.00 0.00 175.35 174.61 3b6b h PRO 10 N -0.01 0.29 -0.02 -1.68 0.11 -1.84 -1.40 132.00 127.46 3b6b h PRO 10 Ca -0.46 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3b6b h PRO 10 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3b6b h PRO 10 CO 0.60 0.19 -0.23 0.38 -0.21 0.00 0.00 178.00 178.72 3b6b h ASP 11 N 0.30 0.04 -0.77 -2.05 2.03 -1.91 -1.47 116.42 112.59 3b6b h ASP 11 Ca 0.21 -0.01 -0.05 0.00 -0.73 0.00 0.00 57.03 56.46 3b6b h ASP 11 Cb 0.45 -0.01 -0.03 0.00 -0.83 0.00 0.00 39.33 38.91 3b6b h ASP 11 CO -0.05 0.27 0.30 0.00 -1.03 0.00 0.00 179.24 178.73 3b6b h ALA 12 N 1.73 1.00 0.07 4.15 0.00 -1.50 -1.04 119.26 123.67 3b6b h ALA 12 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3b6b h ALA 12 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3b6b h ALA 12 CO 0.03 0.63 -0.03 0.74 0.00 0.00 0.00 179.25 180.62 3b6b h PHE 13 N 1.11 -0.09 -0.98 0.00 -1.00 -1.41 0.14 116.94 114.72 3b6b h PHE 13 Ca 0.25 -0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.19 3b6b h PHE 13 Cb 0.23 0.03 -0.10 0.00 3.61 0.00 0.00 35.95 39.72 3b6b h PHE 13 CO 0.02 0.20 0.59 1.49 -1.61 0.00 0.00 178.31 179.00 3b6b h GLU 14 N -0.38 0.79 -0.37 1.51 4.57 -1.21 -2.38 114.58 117.12 3b6b h GLU 14 Ca -0.01 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3b6b h GLU 14 Cb 0.33 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3b6b h GLU 14 CO 0.02 0.53 0.00 0.54 -1.18 0.00 0.00 179.01 178.91 3b6b n ARG 15 N -4.74 2.36 -3.58 1.92 1.74 -0.40 -4.97 116.66 109.00 3b6b n ARG 15 Ca 0.21 -2.06 -0.21 0.00 -0.77 0.00 0.00 57.85 55.02 3b6b n ARG 15 Cb 0.48 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.50 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 1.26 -3.48 -0.33 0.55 7.64 -0.66 -4.92 113.62 113.68 3b6b n SER 16 Ca 0.19 -0.65 0.04 0.00 1.01 0.00 0.00 58.87 59.46 3b6b n SER 16 Cb 0.55 -4.78 0.09 0.00 -1.01 0.00 0.00 64.21 59.06 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 -4.48 2.54 0.15 -3.43 4.77 0.41 -4.75 117.00 112.20 3b6b n LEU 17 Ca -0.17 -2.15 -0.14 0.00 -0.03 0.00 0.00 56.01 53.53 3b6b n LEU 17 Cb 0.62 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3b6b n LEU 17 CO 0.65 0.62 0.69 0.58 -1.33 0.00 0.00 177.39 178.60 3b6b h VAL 18 N 0.95 0.42 -0.26 4.08 2.07 -1.91 -1.45 116.25 120.15 3b6b h VAL 18 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 3b6b h VAL 18 Cb 0.70 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3b6b h VAL 18 CO 0.02 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.23 3b6b h ALA 19 N 0.14 0.86 -0.44 1.67 0.00 -1.94 -1.29 119.26 118.27 3b6b h ALA 19 Ca 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.55 3b6b h ALA 19 Cb 0.52 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3b6b h ALA 19 CO -0.10 0.64 0.15 1.49 0.00 0.00 0.00 179.25 181.42 3b6b h GLU 20 N 0.49 0.30 -0.04 0.00 4.57 -1.83 0.54 114.58 118.61 3b6b h GLU 20 Ca 0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3b6b h GLU 20 Cb 0.88 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3b6b h GLU 20 CO 0.08 0.20 -0.00 0.82 -1.18 0.00 0.00 179.01 178.92 3b6b h ILE 21 N 0.31 1.27 -0.58 2.32 2.04 -0.94 -2.58 117.51 119.35 3b6b h ILE 21 Ca 0.21 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3b6b h ILE 21 Cb 0.21 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3b6b h ILE 21 CO -0.22 0.22 0.34 0.24 0.00 0.00 0.00 178.15 178.74 3b6b h MET 22 N -0.25 0.79 -0.71 2.37 2.86 -1.07 -2.57 114.93 116.35 3b6b h MET 22 Ca 0.01 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3b6b h MET 22 Cb 0.36 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3b6b h MET 22 CO 0.00 0.57 0.25 0.78 1.06 0.00 0.00 176.91 179.57 3b6b h GLY 23 N 0.85 1.16 1.36 8.32 0.00 0.17 -0.15 103.07 114.78 3b6b h GLY 23 Ca 0.21 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 3b6b h GLY 23 CO -0.04 0.61 0.11 3.21 0.00 0.00 0.00 176.54 180.44 3b6b h ARG 24 N 1.05 0.80 -0.04 4.80 3.08 -1.05 0.12 114.38 123.15 3b6b h ARG 24 Ca 0.24 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 3b6b h ARG 24 Cb 0.25 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.20 3b6b h ARG 24 CO -0.01 0.73 -0.74 0.82 -1.07 0.00 0.00 179.97 179.70 3b6b h ILE 25 N 0.77 1.35 -0.96 2.04 2.04 -1.32 -3.11 117.51 118.33 3b6b h ILE 25 Ca 0.17 -2.07 0.01 0.00 1.00 0.00 0.00 64.86 63.96 3b6b h ILE 25 Cb 0.30 2.39 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 3b6b h ILE 25 CO 0.00 0.62 0.62 -0.08 0.00 0.00 0.00 178.15 179.32 3b6b h GLU 26 N 0.16 1.27 0.00 2.37 4.81 -0.84 -2.64 114.58 119.71 3b6b h GLU 26 Ca -0.08 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3b6b h GLU 26 Cb 1.41 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3b6b h GLU 26 CO 0.15 0.86 -0.20 0.87 -0.73 0.00 0.00 179.01 179.95 3b6b h LYS 27 N 1.31 0.00 -0.14 1.92 1.57 -0.80 -1.27 116.57 119.16 3b6b h LYS 27 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3b6b h LYS 27 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3b6b h LYS 27 CO -0.07 0.20 0.00 1.17 -0.57 0.00 0.00 179.45 180.18 3b6b n LYS 28 N -3.48 1.38 -1.09 3.15 4.81 -1.01 -4.92 118.16 117.00 3b6b n LYS 28 Ca -0.01 -0.59 -0.00 0.00 -0.87 0.00 0.00 58.31 56.85 3b6b n LYS 28 Cb 0.37 -1.19 -0.00 0.00 0.02 0.00 0.00 35.03 34.22 3b6b n LYS 28 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3b6b n ASN 29 N -0.08 -2.87 -4.81 3.14 4.05 -0.48 -5.05 115.26 109.16 3b6b n ASN 29 Ca 0.08 0.01 -0.38 0.00 0.45 0.00 0.00 54.58 54.74 3b6b n ASN 29 Cb 0.16 -0.55 -0.06 0.00 1.23 0.00 0.00 39.78 40.56 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 -2.01 3.75 -0.06 1.20 0.40 -1.15 -4.89 117.98 115.22 3b6b s PHE 30 Ca 0.00 1.30 -0.02 0.00 -0.60 0.00 0.00 56.93 57.61 3b6b s PHE 30 Cb 0.00 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 3b6b s PHE 30 CO 0.00 0.50 0.04 0.15 0.70 0.00 0.00 175.22 176.61 3b6b s LYS 31 N -1.45 3.04 -0.14 0.44 -0.14 -0.34 -4.43 119.74 116.72 3b6b s LYS 31 Ca 0.34 -0.42 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 3b6b s LYS 31 Cb -0.18 -2.85 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 3b6b s LYS 31 CO 0.20 0.69 1.16 0.42 -0.76 0.00 0.00 175.35 177.06 3b6b s ILE 32 N -1.01 4.44 -0.20 2.17 1.01 -1.26 -0.33 121.20 126.02 3b6b s ILE 32 Ca 0.17 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.59 3b6b s ILE 32 Cb -0.12 -4.12 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 3b6b s ILE 32 CO 0.07 -0.08 -0.16 0.52 0.00 0.00 0.00 174.94 175.29 3b6b n VAL 33 N 5.00 1.16 -3.99 2.92 0.31 0.61 -4.94 118.33 119.40 3b6b n VAL 33 Ca 0.12 -0.47 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 3b6b n VAL 33 Cb 0.46 -1.16 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 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 -5.88 0.27 -0.26 4.52 0.01 -1.13 -4.97 113.70 106.26 3b6b s SER 34 Ca -0.26 -0.60 -0.19 0.00 1.31 0.00 0.00 55.95 56.21 3b6b s SER 34 Cb 0.07 0.16 0.07 0.00 0.21 0.00 0.00 66.02 66.53 3b6b s SER 34 CO 0.49 -0.42 0.65 -0.32 0.41 0.00 0.00 173.24 174.05 3b6b s MET 35 N -2.28 0.71 -0.02 12.44 0.00 -1.26 -0.59 119.30 128.29 3b6b s MET 35 Ca -0.08 1.05 0.03 0.00 0.00 0.00 0.00 55.69 56.68 3b6b s MET 35 Cb -0.04 0.23 -0.00 0.00 0.00 0.00 0.00 34.83 35.02 3b6b s MET 35 CO -0.04 -0.12 -0.09 0.15 0.00 0.00 0.00 175.02 174.91 3b6b s LYS 36 N 1.03 0.92 -0.19 4.11 1.02 -0.11 -5.01 119.74 121.52 3b6b s LYS 36 Ca -0.05 -0.33 -0.10 0.00 0.02 0.00 0.00 55.97 55.51 3b6b s LYS 36 Cb -0.05 -0.87 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 3b6b s LYS 36 CO -0.10 0.15 0.13 0.12 -0.92 0.00 0.00 175.35 174.73 3b6b s PHE 37 N 0.05 3.41 -0.24 3.18 5.36 -1.26 -1.09 117.98 127.40 3b6b s PHE 37 Ca -0.01 0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.31 3b6b s PHE 37 Cb -0.07 -2.14 0.05 0.00 -0.34 0.00 0.00 43.02 40.52 3b6b s PHE 37 CO 0.00 0.31 -0.13 -1.58 -1.46 0.00 0.00 175.22 172.37 3b6b s TRP 38 N 0.28 3.16 0.30 10.12 0.52 0.24 -4.98 118.94 128.57 3b6b s TRP 38 Ca 0.08 -2.15 0.02 0.00 0.02 0.00 0.00 56.10 54.07 3b6b s TRP 38 Cb -0.11 -1.93 0.57 0.00 -1.15 0.00 0.00 33.47 30.84 3b6b s TRP 38 CO -0.02 -0.86 1.87 0.66 0.02 0.00 0.00 176.95 178.63 3b6b h SER 39 N 7.82 0.89 -2.53 2.95 4.64 -1.92 -0.73 113.55 124.67 3b6b h SER 39 Ca -0.25 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 60.95 3b6b h SER 39 Cb 1.06 -0.16 -0.30 0.00 -0.31 0.00 0.00 62.40 62.70 3b6b h SER 39 CO 0.50 0.52 -0.44 -0.75 -0.87 0.00 0.00 176.83 175.79 3b6b s LYS 40 N -5.91 0.27 0.29 4.77 2.20 -1.26 -2.87 119.74 117.23 3b6b s LYS 40 Ca -0.12 0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 3b6b s LYS 40 Cb 0.21 0.06 -0.10 0.00 -1.51 0.00 0.00 37.83 36.49 3b6b s LYS 40 CO 0.80 -0.33 1.28 0.00 -0.36 0.00 0.00 175.35 176.74 3b6b s ALA 41 N 2.54 3.50 0.37 3.13 0.00 -1.26 -4.96 121.76 125.08 3b6b s ALA 41 Ca 0.02 1.18 -0.28 0.00 0.00 0.00 0.00 51.96 52.87 3b6b s ALA 41 Cb -0.13 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3b6b s ALA 41 CO -0.12 -0.55 1.49 -2.14 0.00 0.00 0.00 175.76 174.44 3b6b s PRO 42 N -1.32 4.11 0.30 0.00 0.02 -1.26 -4.87 135.00 131.98 3b6b s PRO 42 Ca 0.50 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 64.08 3b6b s PRO 42 Cb -0.38 -2.97 0.47 0.00 0.02 0.00 0.00 34.50 31.64 3b6b s PRO 42 CO 0.48 -0.53 1.96 -0.09 -0.33 0.00 0.00 177.00 178.49 3b6b h ARG 43 N 3.07 1.06 -1.00 5.54 2.43 -1.99 -2.50 114.38 121.00 3b6b h ARG 43 Ca -0.51 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.66 3b6b h ARG 43 Cb 1.24 -0.24 -0.07 0.00 -0.42 0.00 0.00 29.97 30.48 3b6b h ARG 43 CO 0.65 0.70 0.65 -2.95 -1.51 0.00 0.00 179.97 177.51 3b6b h ASN 44 N 1.09 1.05 -0.47 -3.80 -1.07 -1.99 0.14 115.58 110.53 3b6b h ASN 44 Ca 0.31 0.01 -0.00 0.00 0.07 0.00 0.00 56.30 56.68 3b6b h ASN 44 Cb -0.08 -0.22 -0.02 0.00 -2.07 0.00 0.00 38.32 35.93 3b6b h ASN 44 CO -0.07 0.68 0.29 -0.07 0.07 0.00 0.00 177.43 178.32 3b6b h LEU 45 N 1.19 0.57 -0.38 6.14 4.07 -1.83 0.13 115.31 125.20 3b6b h LEU 45 Ca 0.43 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.30 3b6b h LEU 45 Cb 0.13 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 3b6b h LEU 45 CO -0.16 0.45 0.10 0.40 -1.08 0.00 0.00 178.44 178.15 3b6b h ILE 46 N 0.63 1.22 -0.30 1.22 1.08 -1.17 0.92 117.51 121.11 3b6b h ILE 46 Ca 0.17 -0.75 -0.10 0.00 -0.39 0.00 0.00 64.86 63.79 3b6b h ILE 46 Cb -0.01 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 3b6b h ILE 46 CO -0.03 0.26 -0.21 -0.33 -0.69 0.00 0.00 178.15 177.15 3b6b h GLU 47 N 0.47 0.57 0.15 2.37 5.08 -0.64 -0.70 114.58 121.89 3b6b h GLU 47 Ca 0.12 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3b6b h GLU 47 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3b6b h GLU 47 CO -0.00 0.75 -0.07 1.96 -1.00 0.00 0.00 179.01 180.64 3b6b h GLN 48 N 0.51 -0.20 -0.72 2.33 4.20 -0.76 -1.55 115.11 118.92 3b6b h GLN 48 Ca 0.08 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.95 3b6b h GLN 48 Cb 0.65 0.04 -0.10 0.00 0.30 0.00 0.00 27.48 28.37 3b6b h GLN 48 CO 0.05 -0.07 0.20 1.25 -0.67 0.00 0.00 178.83 179.59 3b6b h HIS 49 N -0.28 0.33 -0.57 2.96 2.76 -0.49 -2.11 115.15 117.75 3b6b h HIS 49 Ca -0.02 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3b6b h HIS 49 Cb 0.22 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.15 3b6b h HIS 49 CO -0.04 -0.04 0.00 0.66 -1.30 0.00 0.00 177.93 177.21 3b6b n TYR 50 N -5.11 1.86 -0.19 5.26 4.02 -0.30 -4.66 117.16 118.04 3b6b n TYR 50 Ca 0.13 -0.66 0.20 0.00 -0.01 0.00 0.00 57.90 57.56 3b6b n TYR 50 Cb 0.43 -0.43 0.56 0.00 -0.02 0.00 0.00 39.34 39.87 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 3.83 0.29 0.00 -0.72 2.10 -0.56 0.35 116.57 121.86 3b6b h LYS 51 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3b6b h LYS 51 Cb 1.79 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.06 3b6b h LYS 51 CO 0.41 0.19 0.00 0.93 -2.00 0.00 0.00 179.45 178.99 3b6b h GLU 52 N 0.30 0.00 -0.14 0.07 5.08 -1.84 -1.97 114.58 116.08 3b6b h GLU 52 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3b6b h GLU 52 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3b6b h GLU 52 CO -0.12 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.61 3b6b n HIS 53 N -2.94 0.15 0.28 4.33 8.25 0.12 -4.69 115.22 120.73 3b6b n HIS 53 Ca -0.02 -0.08 0.15 0.00 -0.26 0.00 0.00 57.72 57.51 3b6b n HIS 53 Cb 0.11 -0.00 0.73 0.00 1.12 0.00 0.00 29.99 31.95 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 4.46 0.00 0.23 0.41 4.64 -1.35 0.73 113.55 122.68 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 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3b6b h SER 54 CO 0.00 0.00 -1.08 -0.62 -0.87 0.00 0.00 176.83 174.26 3b6b n GLU 55 N -3.03 0.20 -2.29 4.77 -0.58 -1.26 -4.91 120.64 113.55 3b6b n GLU 55 Ca 0.01 -0.03 -0.33 0.00 -0.42 0.00 0.00 57.16 56.39 3b6b n GLU 55 Cb 0.50 -1.54 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 3b6b n GLU 55 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3b6b s GLN 56 N -3.14 3.63 0.56 3.49 -1.52 0.25 -4.94 119.66 118.00 3b6b s GLN 56 Ca 0.05 1.18 0.28 0.00 -1.95 0.00 0.00 55.36 54.91 3b6b s GLN 56 Cb 0.15 -2.08 1.66 0.00 -0.22 0.00 0.00 33.01 32.52 3b6b s GLN 56 CO 0.83 -0.55 2.18 0.66 -0.25 0.00 0.00 175.29 178.16 3b6b h SER 57 N 0.90 0.00 0.09 5.90 4.64 -1.94 -2.37 113.55 120.77 3b6b h SER 57 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3b6b h SER 57 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3b6b h SER 57 CO 0.59 0.05 -0.23 0.00 -0.87 0.00 0.00 176.83 176.36 3b6b n TYR 58 N -3.81 0.00 0.03 4.77 0.18 -1.26 -4.61 117.16 112.46 3b6b n TYR 58 Ca -0.03 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.61 3b6b n TYR 58 Cb 0.14 -0.05 -0.09 0.00 -0.38 0.00 0.00 39.34 38.96 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 2.16 -1.44 -0.66 -3.48 3.04 -1.65 -0.36 116.94 114.55 3b6b h PHE 59 Ca 0.00 0.05 -0.04 0.00 3.98 0.00 0.00 57.97 61.96 3b6b h PHE 59 Cb 0.63 0.64 -0.03 0.00 2.56 0.00 0.00 35.95 39.75 3b6b h PHE 59 CO 0.00 -0.54 0.24 -0.91 -2.02 0.00 0.00 178.31 175.09 3b6b h ASN 60 N -0.61 0.92 -0.22 0.41 2.35 -1.83 -1.66 115.58 114.95 3b6b h ASN 60 Ca 0.04 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 3b6b h ASN 60 Cb 0.69 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3b6b h ASN 60 CO -0.38 0.86 -0.09 0.44 -1.65 0.00 0.00 177.43 176.61 3b6b h ASP 61 N 0.94 0.57 -0.25 5.81 3.32 -1.78 0.53 116.42 125.55 3b6b h ASP 61 Ca 0.22 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3b6b h ASP 61 Cb 0.24 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3b6b h ASP 61 CO -0.01 0.70 -0.51 -1.13 -1.72 0.00 0.00 179.24 176.56 3b6b h ASN 62 N 0.55 0.88 -0.64 6.45 -0.73 -0.88 -1.50 115.58 119.71 3b6b h ASN 62 Ca 0.10 -0.54 -0.01 0.00 1.87 0.00 0.00 56.30 57.72 3b6b h ASN 62 Cb 0.48 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 3b6b h ASN 62 CO 0.03 1.26 0.36 0.00 -0.37 0.00 0.00 177.43 178.71 3b6b h ASP 64 N 0.87 0.66 -0.36 0.00 3.32 -0.74 -1.85 116.42 118.32 3b6b h ASP 64 Ca 0.23 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.32 3b6b h ASP 64 Cb 0.03 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 3b6b h ASP 64 CO -0.04 0.47 0.04 0.15 -1.72 0.00 0.00 179.24 178.14 3b6b h PHE 65 N 0.78 0.06 0.00 4.55 3.04 -0.99 -2.51 116.94 121.86 3b6b h PHE 65 Ca 0.22 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.20 3b6b h PHE 65 Cb -0.07 0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.47 3b6b h PHE 65 CO -0.04 -0.02 0.00 -1.33 -2.02 0.00 0.00 178.31 174.90 3b6b n MET 66 N -5.13 0.03 -0.04 1.11 2.81 -0.55 -1.18 117.12 114.17 3b6b n MET 66 Ca 0.02 0.33 0.06 0.00 -1.81 0.00 0.00 57.70 56.30 3b6b n MET 66 Cb 0.17 -1.57 0.07 0.00 -0.71 0.00 0.00 33.22 31.18 3b6b n MET 66 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3b6b n VAL 67 N -1.64 0.24 1.46 2.03 0.31 -0.92 -4.62 118.33 115.19 3b6b n VAL 67 Ca 0.03 -0.62 0.14 0.00 -0.01 0.00 0.00 64.34 63.88 3b6b n VAL 67 Cb 0.14 1.07 0.63 0.00 -0.91 0.00 0.00 33.84 34.77 3b6b n VAL 67 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3b6b n SER 68 N 0.63 0.51 -2.81 4.52 3.41 -0.32 -4.84 113.62 114.72 3b6b n SER 68 Ca 0.08 -0.67 -0.01 0.00 -0.26 0.00 0.00 58.87 58.00 3b6b n SER 68 Cb 0.32 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.67 3.75 5.00 0.00 -1.26 -5.08 105.19 109.52 3b6b n GLY 69 Ca 0.15 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.03 2.06 0.04 1.61 0.02 -1.14 -4.58 135.00 130.98 3b6b s PRO 70 Ca 0.18 1.29 0.03 0.00 0.02 0.00 0.00 61.00 62.52 3b6b s PRO 70 Cb -0.02 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.61 3b6b s PRO 70 CO 0.03 -1.81 -0.10 0.42 -0.33 0.00 0.00 177.00 175.21 3b6b s ILE 71 N -2.76 0.73 -0.13 2.83 1.01 -0.28 -3.25 121.20 119.35 3b6b s ILE 71 Ca 0.63 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3b6b s ILE 71 Cb -0.19 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.52 3b6b s ILE 71 CO 0.55 -0.25 -0.12 -0.63 0.00 0.00 0.00 174.94 174.48 3b6b s ILE 72 N -1.17 3.11 -0.16 2.92 1.01 -1.04 -0.59 121.20 125.28 3b6b s ILE 72 Ca -0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3b6b s ILE 72 Cb -0.09 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3b6b s ILE 72 CO 0.01 0.53 0.06 -0.94 0.00 0.00 0.00 174.94 174.59 3b6b s SER 73 N 0.29 5.64 -0.03 3.58 1.04 -0.25 -0.81 113.70 123.17 3b6b s SER 73 Ca -0.09 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.48 3b6b s SER 73 Cb -0.16 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.07 3b6b s SER 73 CO 0.05 0.23 -0.05 -0.63 0.98 0.00 0.00 173.24 173.82 3b6b s ILE 74 N 0.03 0.52 -0.31 -1.02 1.01 0.04 -0.93 121.20 120.54 3b6b s ILE 74 Ca 0.06 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 3b6b s ILE 74 Cb -0.12 -0.51 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3b6b s ILE 74 CO 0.01 0.20 0.32 -0.69 0.00 0.00 0.00 174.94 174.77 3b6b s VAL 75 N 0.52 5.21 -0.04 2.92 1.01 0.24 -0.46 120.40 129.81 3b6b s VAL 75 Ca -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3b6b s VAL 75 Cb -0.10 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3b6b s VAL 75 CO 0.00 0.05 0.09 -0.31 0.00 0.00 0.00 175.10 174.93 3b6b s TYR 76 N 1.95 3.34 -0.02 5.22 1.51 -0.77 -0.28 117.35 128.29 3b6b s TYR 76 Ca 0.11 0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.49 3b6b s TYR 76 Cb -0.16 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.89 3b6b s TYR 76 CO 0.11 0.58 -0.18 -2.00 -1.11 0.00 0.00 175.55 172.95 3b6b s GLU 77 N -1.51 1.58 0.00 -0.62 2.12 0.55 -1.30 118.70 119.53 3b6b s GLU 77 Ca 0.21 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.90 3b6b s GLU 77 Cb -0.12 -1.47 0.00 0.00 0.26 0.00 0.00 34.13 32.80 3b6b s GLU 77 CO 0.11 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.58 3b6b n GLY 78 N 2.82 -0.23 3.69 -1.50 0.00 -0.89 -1.20 105.19 107.88 3b6b n GLY 78 Ca -0.16 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 2.53 -1.58 2.61 2.01 -1.26 -1.56 115.64 116.39 3b6b s THR 79 Ca 0.00 0.03 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 3b6b s THR 79 Cb 0.00 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.50 3b6b s THR 79 CO 0.00 -0.00 0.57 -0.67 -0.69 0.00 0.00 174.62 173.83 3b6b n ASP 80 N 5.75 -6.12 -0.32 3.53 4.64 -0.81 -4.87 116.55 118.34 3b6b n ASP 80 Ca 0.18 -0.27 0.01 0.00 -1.38 0.00 0.00 54.79 53.33 3b6b n ASP 80 Cb 0.38 -4.96 0.15 0.00 -1.04 0.00 0.00 41.12 35.65 3b6b n ASP 80 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3b6b h ALA 81 N 1.01 1.23 0.61 -1.67 0.00 -1.73 -1.46 119.26 117.24 3b6b h ALA 81 Ca -0.53 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3b6b h ALA 81 Cb 1.37 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3b6b h ALA 81 CO 0.57 0.31 -0.34 0.82 0.00 0.00 0.00 179.25 180.62 3b6b h ILE 82 N 1.02 0.31 -0.43 0.00 2.04 -1.88 -0.51 117.51 118.06 3b6b h ILE 82 Ca 0.39 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.14 3b6b h ILE 82 Cb 0.17 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3b6b h ILE 82 CO -0.17 0.00 -0.16 -1.28 0.00 0.00 0.00 178.15 176.53 3b6b h SER 83 N -0.88 0.88 -0.43 1.72 0.87 -1.85 -2.33 113.55 111.54 3b6b h SER 83 Ca -0.08 -0.39 -0.07 0.00 -1.23 0.00 0.00 61.79 60.03 3b6b h SER 83 Cb 0.70 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3b6b h SER 83 CO 0.10 1.07 0.00 0.11 -0.53 0.00 0.00 176.83 177.58 3b6b h LYS 84 N 0.69 0.76 -0.13 2.24 1.79 -1.19 -0.89 116.57 119.83 3b6b h LYS 84 Ca 0.10 -0.24 -0.15 0.00 -2.18 0.00 0.00 60.65 58.18 3b6b h LYS 84 Cb 0.72 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3b6b h LYS 84 CO 0.05 0.83 -0.58 0.82 -1.08 0.00 0.00 179.45 179.49 3b6b h ILE 85 N 0.59 1.35 -0.68 1.86 2.04 -1.16 -1.59 117.51 119.93 3b6b h ILE 85 Ca 0.12 -1.88 0.07 0.00 1.00 0.00 0.00 64.86 64.17 3b6b h ILE 85 Cb 0.49 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 3b6b h ILE 85 CO 0.02 0.57 0.36 0.03 0.00 0.00 0.00 178.15 179.13 3b6b h ARG 86 N 0.31 0.62 -0.63 2.37 2.47 -1.26 -0.09 114.38 118.17 3b6b h ARG 86 Ca -0.00 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 3b6b h ARG 86 Cb 1.10 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 3b6b h ARG 86 CO 0.10 0.41 0.08 0.00 0.56 0.00 0.00 179.97 181.13 3b6b h ARG 87 N 0.64 1.05 -0.43 0.04 2.47 -0.87 -1.31 114.38 115.98 3b6b h ARG 87 Ca 0.31 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3b6b h ARG 87 Cb 0.25 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 3b6b h ARG 87 CO -0.21 0.97 0.17 1.25 0.56 0.00 0.00 179.97 182.71 3b6b h LEU 88 N 0.98 0.59 -0.23 3.04 5.85 -0.95 -2.72 115.31 121.87 3b6b h LEU 88 Ca 0.19 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3b6b h LEU 88 Cb 0.45 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3b6b h LEU 88 CO 0.01 0.59 -0.12 -0.61 -0.34 0.00 0.00 178.44 177.98 3b6b h GLN 89 N 0.54 -0.10 0.00 1.25 4.15 -0.86 0.36 115.11 120.46 3b6b h GLN 89 Ca 0.14 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3b6b h GLN 89 Cb 0.19 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3b6b h GLN 89 CO -0.01 -0.06 0.00 0.41 -1.93 0.00 0.00 178.83 177.23 3b6b n GLY 90 N -1.28 1.98 3.51 2.39 0.00 -0.51 -1.39 105.19 109.89 3b6b n GLY 90 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 0.34 0.03 1.61 2.20 -1.26 -4.79 114.94 109.07 3b6b s ASN 91 Ca 0.00 -1.21 0.19 0.00 -0.94 0.00 0.00 52.86 50.90 3b6b s ASN 91 Cb 0.00 0.60 0.81 0.00 -2.00 0.00 0.00 41.25 40.67 3b6b s ASN 91 CO 0.00 -1.19 1.61 2.30 -2.94 0.00 0.00 177.10 176.88 3b6b n ILE 92 N -0.45 0.72 0.89 0.54 -5.35 -1.26 -1.08 119.36 113.37 3b6b n ILE 92 Ca -0.00 0.17 0.12 0.00 -0.27 0.00 0.00 62.75 62.76 3b6b n ILE 92 Cb 0.62 -0.88 0.23 0.00 -1.74 0.00 0.00 39.64 37.88 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 -1.59 0.53 -4.05 7.28 4.77 -1.26 -4.59 117.00 118.09 3b6b n LEU 93 Ca 0.04 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 3b6b n LEU 93 Cb 0.23 -0.24 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 3b6b n LEU 93 CO 0.18 0.08 -0.09 -0.89 -1.33 0.00 0.00 177.39 175.34 3b6b s THR 94 N -3.04 3.20 0.63 -5.08 2.01 -0.94 -5.03 115.64 107.39 3b6b s THR 94 Ca 0.10 -2.85 -0.18 0.00 0.31 0.00 0.00 61.69 59.06 3b6b s THR 94 Cb 0.17 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 3b6b s THR 94 CO 0.70 -0.80 1.19 -2.65 -0.69 0.00 0.00 174.62 172.37 3b6b n PRO 95 N 3.64 1.06 0.00 4.92 -0.02 -1.26 -2.57 135.00 140.77 3b6b n PRO 95 Ca 0.05 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3b6b n PRO 95 Cb 0.37 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3b6b n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b6b n GLY 96 N 1.04 2.82 3.96 -1.23 0.00 -1.26 -4.93 105.19 105.59 3b6b n GLY 96 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.78 4.38 0.12 2.61 -4.23 -1.06 -4.91 115.64 109.77 3b6b s THR 97 Ca 0.00 -0.68 -0.25 0.00 -1.18 0.00 0.00 61.69 59.58 3b6b s THR 97 Cb 0.00 -3.58 -0.05 0.00 1.34 0.00 0.00 72.50 70.21 3b6b s THR 97 CO 0.00 -0.33 1.64 0.40 -0.54 0.00 0.00 174.62 175.79 3b6b h ILE 98 N 0.69 0.46 -0.26 2.99 2.04 -0.96 0.12 117.51 122.59 3b6b h ILE 98 Ca -0.47 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 3b6b h ILE 98 Cb 1.24 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3b6b h ILE 98 CO 0.57 0.00 -0.42 0.03 0.00 0.00 0.00 178.15 178.33 3b6b h ARG 99 N -0.35 0.63 -0.61 2.37 3.08 -1.45 -1.61 114.38 116.43 3b6b h ARG 99 Ca 0.07 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 3b6b h ARG 99 Cb 0.44 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3b6b h ARG 99 CO -0.22 0.94 0.25 0.78 -1.07 0.00 0.00 179.97 180.64 3b6b h GLY 100 N 1.01 0.95 1.38 0.04 0.00 -0.81 -1.21 103.07 104.44 3b6b h GLY 100 Ca 0.04 -0.48 -0.27 0.00 0.00 0.00 0.00 47.33 46.62 3b6b h GLY 100 CO 0.09 0.46 -1.43 -0.55 0.00 0.00 0.00 176.54 175.11 3b6b h ASP 101 N 0.88 0.07 0.00 0.19 3.32 -0.70 -3.39 116.42 116.79 3b6b h ASP 101 Ca 0.21 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3b6b h ASP 101 Cb 0.17 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3b6b h ASP 101 CO -0.02 1.10 -0.61 0.18 -1.72 0.00 0.00 179.24 178.17 3b6b n LEU 102 N -3.23 0.00 -4.55 1.55 4.77 -0.61 -5.06 117.00 109.86 3b6b n LEU 102 Ca -0.11 -0.10 -0.28 0.00 -0.03 0.00 0.00 56.01 55.49 3b6b n LEU 102 Cb 1.01 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.00 3b6b n LEU 102 CO 0.47 0.00 -0.43 0.00 -1.33 0.00 0.00 177.39 176.10 3b6b s ALA 103 N -1.41 2.89 -0.27 -1.18 0.00 -0.46 -5.03 121.76 116.31 3b6b s ALA 103 Ca 0.00 -1.40 0.20 0.00 0.00 0.00 0.00 51.96 50.76 3b6b s ALA 103 Cb 0.00 -0.75 0.47 0.00 0.00 0.00 0.00 23.12 22.84 3b6b s ALA 103 CO 0.00 0.53 1.23 -1.71 0.00 0.00 0.00 175.76 175.81 3b6b n ASN 104 N 0.32 0.67 -3.80 0.00 5.15 -1.26 -4.71 115.26 111.63 3b6b n ASN 104 Ca -0.12 -2.07 -0.12 0.00 -0.60 0.00 0.00 54.58 51.66 3b6b n ASN 104 Cb 0.54 -0.14 -0.09 0.00 -0.53 0.00 0.00 39.78 39.56 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 -2.95 -0.10 0.45 1.20 -1.08 -1.26 -5.04 116.67 107.89 3b6b s ASP 105 Ca 0.22 -0.05 0.25 0.00 -0.52 0.00 0.00 52.55 52.45 3b6b s ASP 105 Cb 0.35 0.27 0.89 0.00 -1.46 0.00 0.00 42.92 42.98 3b6b s ASP 105 CO -0.07 -0.43 1.81 -0.29 0.52 0.00 0.00 175.17 176.71 3b6b h ILE 106 N 3.95 0.43 0.00 4.11 2.10 -2.02 -3.38 117.51 122.71 3b6b h ILE 106 Ca -0.30 -1.08 -0.10 0.00 1.08 0.00 0.00 64.86 64.46 3b6b h ILE 106 Cb 1.18 1.79 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 3b6b h ILE 106 CO 0.41 0.18 -1.34 -1.14 -1.08 0.00 0.00 178.15 175.18 3b6b n ARG 107 N -3.30 0.13 -2.84 2.19 0.63 -1.26 -4.82 116.66 107.40 3b6b n ARG 107 Ca 0.01 0.05 -0.43 0.00 -0.92 0.00 0.00 57.85 56.55 3b6b n ARG 107 Cb 0.44 -0.84 -0.01 0.00 0.45 0.00 0.00 32.46 32.50 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 -2.11 3.87 -0.10 -0.14 2.02 -1.26 -4.68 118.70 116.29 3b6b s GLU 108 Ca -0.08 -2.07 0.14 0.00 0.02 0.00 0.00 54.97 52.97 3b6b s GLU 108 Cb 0.03 -5.13 0.28 0.00 0.10 0.00 0.00 34.13 29.40 3b6b s GLU 108 CO 0.12 -1.90 1.14 0.27 0.02 0.00 0.00 175.26 174.90 3b6b n ASN 109 N 6.74 1.43 0.00 -0.19 0.23 -1.26 -4.04 115.26 118.17 3b6b n ASN 109 Ca 0.34 -2.87 0.00 0.00 -0.53 0.00 0.00 54.58 51.53 3b6b n ASN 109 Cb 0.46 -0.38 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 -0.72 0.00 -3.74 -4.53 4.77 -1.26 -4.81 117.00 106.71 3b6b n LEU 110 Ca 0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 3b6b n LEU 110 Cb 0.75 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.73 3b6b n LEU 110 CO -0.01 0.00 0.05 -0.51 -1.33 0.00 0.00 177.39 175.58 3b6b s ILE 111 N 0.00 -0.00 -0.08 -0.08 2.07 -1.26 -0.46 121.20 121.38 3b6b s ILE 111 Ca 0.00 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3b6b s ILE 111 Cb 0.00 -0.54 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 3b6b s ILE 111 CO 0.00 0.01 -0.08 -2.28 -1.91 0.00 0.00 174.94 170.67 3b6b s HIS 112 N 0.37 2.90 -0.02 3.50 5.65 0.46 -4.96 115.29 123.20 3b6b s HIS 112 Ca -0.01 -0.12 0.03 0.00 0.25 0.00 0.00 55.06 55.20 3b6b s HIS 112 Cb -0.04 -1.75 -0.00 0.00 -1.18 0.00 0.00 32.58 29.62 3b6b s HIS 112 CO -0.01 0.20 -0.10 0.00 -0.65 0.00 0.00 174.74 174.18 3b6b s ALA 113 N -0.51 0.85 0.27 1.58 0.00 -1.26 -0.64 121.76 122.04 3b6b s ALA 113 Ca 0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 3b6b s ALA 113 Cb -0.12 -0.26 -0.14 0.00 0.00 0.00 0.00 23.12 22.59 3b6b s ALA 113 CO 0.02 0.17 1.05 0.43 0.00 0.00 0.00 175.76 177.44 3b6b n SER 114 N 3.05 1.37 -0.23 0.00 7.64 -0.72 -4.90 113.62 119.83 3b6b n SER 114 Ca -0.16 1.17 0.11 0.00 1.01 0.00 0.00 58.87 61.00 3b6b n SER 114 Cb 0.55 -1.28 0.04 0.00 -1.01 0.00 0.00 64.21 62.51 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 1.40 1.36 -3.85 6.43 5.68 -1.26 -4.67 116.55 121.64 3b6b n ASP 115 Ca 0.11 -1.11 -0.08 0.00 -0.50 0.00 0.00 54.79 53.21 3b6b n ASP 115 Cb 0.31 0.59 -0.03 0.00 -1.14 0.00 0.00 41.12 40.85 3b6b n ASP 115 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3b6b s SER 116 N -2.72 -0.25 0.17 -1.12 1.04 -1.26 -4.95 113.70 104.60 3b6b s SER 116 Ca 0.15 -0.61 -0.14 0.00 0.48 0.00 0.00 55.95 55.83 3b6b s SER 116 Cb 0.17 0.69 0.09 0.00 0.10 0.00 0.00 66.02 67.07 3b6b s SER 116 CO 0.68 -1.28 1.82 -0.33 0.98 0.00 0.00 173.24 175.11 3b6b h GLU 117 N 2.05 0.60 0.06 4.02 5.08 -1.97 -0.82 114.58 123.59 3b6b h GLU 117 Ca -0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3b6b h GLU 117 Cb 1.25 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3b6b h GLU 117 CO 0.27 0.40 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.21 3b6b h ASP 118 N 0.62 -0.06 -0.79 1.42 5.19 -2.00 -2.31 116.42 118.48 3b6b h ASP 118 Ca 0.20 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 3b6b h ASP 118 Cb -0.00 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.49 3b6b h ASP 118 CO -0.08 0.17 0.42 0.77 -3.12 0.00 0.00 179.24 177.40 3b6b h SER 119 N -0.30 1.02 0.01 6.45 4.64 -1.94 -2.29 113.55 121.14 3b6b h SER 119 Ca -0.01 -0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3b6b h SER 119 Cb 0.27 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 3b6b h SER 119 CO 0.01 0.84 -0.16 0.00 -0.87 0.00 0.00 176.83 176.65 3b6b h ALA 120 N 1.33 -0.21 -0.55 5.18 0.00 -1.10 0.16 119.26 124.08 3b6b h ALA 120 Ca 0.28 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.28 3b6b h ALA 120 Cb 0.06 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3b6b h ALA 120 CO -0.04 -0.66 0.17 0.28 0.00 0.00 0.00 179.25 179.00 3b6b h VAL 121 N -0.27 0.76 -0.28 0.00 2.07 -1.18 -0.84 116.25 116.50 3b6b h VAL 121 Ca 0.05 -0.12 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 3b6b h VAL 121 Cb 0.34 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3b6b h VAL 121 CO -0.15 0.06 -0.34 -0.78 0.02 0.00 0.00 177.57 176.38 3b6b h ASP 122 N 0.34 0.78 -0.51 0.57 3.58 -1.13 -2.76 116.42 117.29 3b6b h ASP 122 Ca 0.27 -0.49 -0.12 0.00 0.42 0.00 0.00 57.03 57.11 3b6b h ASP 122 Cb 0.34 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 3b6b h ASP 122 CO -0.30 1.12 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.68 3b6b h GLU 123 N 0.47 1.01 -0.97 0.28 5.08 -0.43 -2.19 114.58 117.82 3b6b h GLU 123 Ca 0.04 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 3b6b h GLU 123 Cb 0.92 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 3b6b h GLU 123 CO 0.08 1.09 0.63 0.82 -1.00 0.00 0.00 179.01 180.63 3b6b h ILE 124 N 0.88 1.12 0.00 3.13 2.04 -1.18 -2.14 117.51 121.37 3b6b h ILE 124 Ca 0.12 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3b6b h ILE 124 Cb 0.74 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3b6b h ILE 124 CO 0.06 0.22 -0.39 0.77 0.00 0.00 0.00 178.15 178.80 3b6b h SER 125 N 1.19 0.00 0.05 1.72 4.64 -1.20 0.30 113.55 120.25 3b6b h SER 125 Ca 0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3b6b h SER 125 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3b6b h SER 125 CO -0.15 0.39 -0.03 0.40 -0.87 0.00 0.00 176.83 176.58 3b6b h ILE 126 N 0.00 1.19 0.00 0.95 2.04 -0.79 -2.95 117.51 117.95 3b6b h ILE 126 Ca -0.00 -0.83 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 3b6b h ILE 126 Cb 0.91 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 3b6b h ILE 126 CO 0.05 0.21 -1.10 -0.50 0.00 0.00 0.00 178.15 176.81 3b6b h TRP 127 N -0.44 0.00 -2.09 1.37 4.06 -1.34 -3.38 115.95 114.13 3b6b h TRP 127 Ca -0.01 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.39 3b6b h TRP 127 Cb 0.39 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.15 3b6b h TRP 127 CO 0.05 0.43 -0.93 1.19 -3.56 0.00 0.00 178.44 175.61 3b6b n PHE 128 N -2.92 1.45 0.17 0.49 3.72 0.11 -4.95 117.46 115.53 3b6b n PHE 128 Ca -0.05 -3.84 0.02 0.00 -0.05 0.00 0.00 57.45 53.53 3b6b n PHE 128 Cb 0.75 -0.44 0.33 0.00 -0.94 0.00 0.00 39.48 39.18 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 3.61 0.02 -2.92 -1.08 0.13 -1.67 -3.17 132.00 126.91 3b6b h PRO 129 Ca 0.12 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 65.07 3b6b h PRO 129 Cb 0.79 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3b6b h PRO 129 CO 0.62 0.41 0.93 -0.85 -0.23 0.00 0.00 178.00 178.88 3b6b n GLU 130 N -4.07 1.21 0.00 0.86 -0.00 -1.26 -5.04 120.64 112.35 3b6b n GLU 130 Ca -0.02 -0.77 0.00 0.00 -0.00 0.00 0.00 57.16 56.37 3b6b n GLU 130 Cb 0.43 -1.97 0.00 0.00 -0.00 0.00 0.00 31.44 29.90 3b6b n GLU 130 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54