#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6b n LEU 1 N 0.00 4.01 -4.19 0.99 7.94 -1.26 -0.63 117.00 123.85 3b6b n LEU 1 Ca 0.00 1.04 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 3b6b n LEU 1 Cb 0.00 -1.56 -0.10 0.00 0.53 0.00 0.00 43.42 42.29 3b6b n LEU 1 CO 0.00 0.18 -0.38 -1.10 -1.11 0.00 0.00 177.39 174.98 3b6b s GLN 2 N 1.67 0.89 0.03 1.96 -0.21 -0.49 -4.87 119.66 118.64 3b6b s GLN 2 Ca 0.77 -1.37 0.08 0.00 0.02 0.00 0.00 55.36 54.86 3b6b s GLN 2 Cb -0.50 -0.25 -0.03 0.00 1.00 0.00 0.00 33.01 33.23 3b6b s GLN 2 CO 0.34 -0.02 -0.23 1.03 -2.12 0.00 0.00 175.29 174.28 3b6b s ARG 3 N -3.84 1.98 0.07 2.91 0.52 -1.26 -2.02 118.95 117.31 3b6b s ARG 3 Ca 0.14 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 3b6b s ARG 3 Cb 0.05 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 3b6b s ARG 3 CO -0.03 0.54 -0.06 -0.08 0.02 0.00 0.00 175.30 175.69 3b6b s THR 4 N -0.80 0.52 -0.17 0.02 -1.32 -0.49 -4.76 115.64 108.64 3b6b s THR 4 Ca 0.12 -1.68 -0.07 0.00 -1.21 0.00 0.00 61.69 58.85 3b6b s THR 4 Cb -0.10 -1.35 -0.04 0.00 -1.51 0.00 0.00 72.50 69.49 3b6b s THR 4 CO 0.02 -0.79 0.08 -0.22 -2.21 0.00 0.00 174.62 171.50 3b6b s LEU 5 N -2.64 3.93 -0.06 9.08 2.96 -1.26 -1.49 118.68 129.20 3b6b s LEU 5 Ca 0.05 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.16 3b6b s LEU 5 Cb 0.02 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 3b6b s LEU 5 CO -0.05 0.21 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.28 3b6b s VAL 6 N 0.15 1.88 -0.15 1.68 1.01 0.78 -1.58 120.40 124.17 3b6b s VAL 6 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3b6b s VAL 6 Cb -0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3b6b s VAL 6 CO 0.00 0.53 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 3b6b s LEU 7 N -0.06 3.09 -0.26 3.92 1.43 -0.05 -0.32 118.68 126.43 3b6b s LEU 7 Ca -0.05 -0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 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 0.53 -0.63 0.23 0.00 0.00 176.35 176.68 3b6b s ILE 8 N 0.41 5.06 0.56 -0.59 -1.09 0.52 -0.84 121.20 125.23 3b6b s ILE 8 Ca -0.06 0.91 -0.04 0.00 -2.23 0.00 0.00 60.65 59.23 3b6b s ILE 8 Cb -0.15 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 3b6b s ILE 8 CO 0.04 0.07 0.84 -0.54 -1.23 0.00 0.00 174.94 174.12 3b6b s LYS 9 N 2.34 2.90 0.53 2.79 1.02 -0.11 -2.14 119.74 127.07 3b6b s LYS 9 Ca 0.22 -0.20 0.22 0.00 0.02 0.00 0.00 55.97 56.23 3b6b s LYS 9 Cb -0.16 -2.36 1.37 0.00 -0.52 0.00 0.00 37.83 36.16 3b6b s LYS 9 CO 0.09 -0.61 2.07 -1.35 -0.92 0.00 0.00 175.35 174.64 3b6b h PRO 10 N -0.02 0.00 0.00 -1.68 0.11 -1.83 -1.06 132.00 127.52 3b6b h PRO 10 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3b6b h PRO 10 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3b6b h PRO 10 CO 0.59 0.00 -0.22 0.38 -0.21 0.00 0.00 178.00 178.54 3b6b h ASP 11 N 0.00 0.00 -0.46 -2.05 2.03 -1.91 -1.14 116.42 112.89 3b6b h ASP 11 Ca 0.13 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.33 3b6b h ASP 11 Cb 0.52 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 3b6b h ASP 11 CO -0.00 0.22 -0.08 0.00 -1.03 0.00 0.00 179.24 178.36 3b6b h ALA 12 N 1.78 0.90 -0.07 4.15 0.00 -1.44 -0.40 119.26 124.18 3b6b h ALA 12 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3b6b h ALA 12 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3b6b h ALA 12 CO 0.03 0.64 -0.03 0.74 0.00 0.00 0.00 179.25 180.62 3b6b h PHE 13 N 0.83 0.16 -1.01 0.00 -1.00 -1.48 0.13 116.94 114.58 3b6b h PHE 13 Ca 0.14 -0.04 0.14 0.00 2.81 0.00 0.00 57.97 61.02 3b6b h PHE 13 Cb 0.60 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 40.03 3b6b h PHE 13 CO 0.04 0.52 0.63 1.49 -1.61 0.00 0.00 178.31 179.37 3b6b h GLU 14 N -0.25 0.92 -0.41 1.51 4.57 -1.15 -2.51 114.58 117.26 3b6b h GLU 14 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3b6b h GLU 14 Cb 0.48 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3b6b h GLU 14 CO 0.01 0.61 0.00 0.54 -1.18 0.00 0.00 179.01 178.99 3b6b n ARG 15 N -4.65 2.36 -3.69 1.92 1.74 -0.17 -4.96 116.66 109.21 3b6b n ARG 15 Ca 0.20 -2.07 -0.23 0.00 -0.77 0.00 0.00 57.85 54.98 3b6b n ARG 15 Cb 0.41 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.41 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 1.25 -2.63 -0.31 0.55 7.64 -0.58 -4.92 113.62 114.62 3b6b n SER 16 Ca 0.19 -0.75 0.03 0.00 1.01 0.00 0.00 58.87 59.35 3b6b n SER 16 Cb 0.54 -4.30 0.07 0.00 -1.01 0.00 0.00 64.21 59.51 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 -4.41 2.40 0.07 -3.43 4.77 0.35 -4.77 117.00 111.98 3b6b n LEU 17 Ca -0.19 -1.95 -0.11 0.00 -0.03 0.00 0.00 56.01 53.72 3b6b n LEU 17 Cb 0.63 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3b6b n LEU 17 CO 0.68 0.60 0.75 0.58 -1.33 0.00 0.00 177.39 178.67 3b6b h VAL 18 N 1.00 0.60 -0.57 4.08 2.07 -1.91 -1.36 116.25 120.17 3b6b h VAL 18 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3b6b h VAL 18 Cb 0.59 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3b6b h VAL 18 CO 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.55 3b6b h ALA 19 N 0.62 0.77 -0.67 1.67 0.00 -1.94 -1.11 119.26 118.61 3b6b h ALA 19 Ca 0.05 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.71 3b6b h ALA 19 Cb 0.34 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3b6b h ALA 19 CO -0.14 0.64 0.34 1.49 0.00 0.00 0.00 179.25 181.57 3b6b h GLU 20 N 0.92 0.58 0.06 0.00 4.57 -1.83 0.39 114.58 119.27 3b6b h GLU 20 Ca 0.16 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3b6b h GLU 20 Cb 0.60 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3b6b h GLU 20 CO 0.04 0.39 -0.03 0.82 -1.18 0.00 0.00 179.01 179.04 3b6b h ILE 21 N 0.60 1.19 -0.60 2.32 2.04 -0.96 -2.57 117.51 119.54 3b6b h ILE 21 Ca 0.32 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3b6b h ILE 21 Cb 0.28 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3b6b h ILE 21 CO -0.23 0.22 0.39 0.24 0.00 0.00 0.00 178.15 178.77 3b6b h MET 22 N -0.48 0.80 -0.36 2.37 2.86 -0.99 -2.21 114.93 116.91 3b6b h MET 22 Ca -0.01 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 3b6b h MET 22 Cb 0.43 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3b6b h MET 22 CO 0.01 0.54 -0.03 0.78 1.06 0.00 0.00 176.91 179.28 3b6b h GLY 23 N 0.84 0.63 1.55 8.32 0.00 -0.14 0.43 103.07 114.69 3b6b h GLY 23 Ca 0.22 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 3b6b h GLY 23 CO -0.05 0.37 -0.25 3.21 0.00 0.00 0.00 176.54 179.82 3b6b h ARG 24 N 0.55 0.52 -0.05 4.80 3.08 -0.98 -0.11 114.38 122.20 3b6b h ARG 24 Ca 0.11 -0.20 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 3b6b h ARG 24 Cb 0.39 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.42 3b6b h ARG 24 CO 0.02 0.73 -0.63 0.82 -1.07 0.00 0.00 179.97 179.84 3b6b h ILE 25 N 0.46 1.38 -0.80 2.04 2.04 -1.38 -3.12 117.51 118.13 3b6b h ILE 25 Ca 0.07 -1.99 0.04 0.00 1.00 0.00 0.00 64.86 63.98 3b6b h ILE 25 Cb 0.68 2.38 -0.05 0.00 -0.74 0.00 0.00 36.82 39.08 3b6b h ILE 25 CO 0.05 0.59 0.50 -0.08 0.00 0.00 0.00 178.15 179.21 3b6b h GLU 26 N 0.08 0.92 0.00 2.37 4.81 -0.75 -2.42 114.58 119.59 3b6b h GLU 26 Ca -0.06 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3b6b h GLU 26 Cb 1.30 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3b6b h GLU 26 CO 0.13 0.61 -0.10 0.87 -0.73 0.00 0.00 179.01 179.79 3b6b h LYS 27 N 0.95 0.00 -0.09 1.92 1.57 -1.04 -1.17 116.57 118.70 3b6b h LYS 27 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3b6b h LYS 27 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3b6b h LYS 27 CO -0.14 0.10 0.00 1.17 -0.57 0.00 0.00 179.45 180.01 3b6b n LYS 28 N -3.36 1.37 -1.35 3.15 3.00 -0.92 -4.91 118.16 115.14 3b6b n LYS 28 Ca -0.01 -0.56 -0.03 0.00 -0.00 0.00 0.00 58.31 57.72 3b6b n LYS 28 Cb 0.28 -1.33 -0.01 0.00 0.00 0.00 0.00 35.03 33.98 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 -0.21 -2.88 -4.81 3.14 4.05 -0.44 -5.05 115.26 109.05 3b6b n ASN 29 Ca 0.14 0.05 -0.37 0.00 0.45 0.00 0.00 54.58 54.86 3b6b n ASN 29 Cb 0.19 -1.09 -0.06 0.00 1.23 0.00 0.00 39.78 40.05 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 -2.11 3.68 -0.08 1.20 0.40 -1.14 -4.91 117.98 115.02 3b6b s PHE 30 Ca 0.00 1.39 -0.01 0.00 -0.60 0.00 0.00 56.93 57.71 3b6b s PHE 30 Cb 0.00 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 3b6b s PHE 30 CO 0.00 0.37 -0.03 0.15 0.70 0.00 0.00 175.22 176.41 3b6b s LYS 31 N -1.85 2.90 -0.01 0.44 -0.14 -0.58 -4.46 119.74 116.04 3b6b s LYS 31 Ca 0.41 -0.47 -0.30 0.00 -1.36 0.00 0.00 55.97 54.25 3b6b s LYS 31 Cb -0.17 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 3b6b s LYS 31 CO 0.21 0.68 1.18 0.42 -0.76 0.00 0.00 175.35 177.08 3b6b s ILE 32 N -0.83 4.22 -0.21 2.17 1.01 -1.26 -0.49 121.20 125.81 3b6b s ILE 32 Ca 0.13 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.36 3b6b s ILE 32 Cb -0.11 -4.01 -0.14 0.00 0.01 0.00 0.00 42.46 38.21 3b6b s ILE 32 CO 0.02 0.05 -0.19 0.52 0.00 0.00 0.00 174.94 175.34 3b6b n VAL 33 N 4.30 1.23 -3.70 2.92 0.31 0.41 -4.94 118.33 118.86 3b6b n VAL 33 Ca 0.10 -0.47 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 3b6b n VAL 33 Cb 0.47 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 32.09 3b6b n VAL 33 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3b6b s SER 34 N -6.09 -0.21 -0.25 4.52 1.04 -1.20 -4.99 113.70 106.51 3b6b s SER 34 Ca -0.29 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.52 3b6b s SER 34 Cb 0.07 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.76 3b6b s SER 34 CO 0.49 -0.92 0.66 -0.32 0.98 0.00 0.00 173.24 174.14 3b6b s MET 35 N -3.84 0.74 -0.02 4.02 0.00 -1.26 -1.30 119.30 117.63 3b6b s MET 35 Ca 0.06 1.01 0.04 0.00 0.00 0.00 0.00 55.69 56.80 3b6b s MET 35 Cb 0.01 0.29 -0.01 0.00 0.00 0.00 0.00 34.83 35.12 3b6b s MET 35 CO -0.08 -0.11 -0.13 0.15 0.00 0.00 0.00 175.02 174.84 3b6b s LYS 36 N 0.78 1.19 -0.17 4.11 1.02 -0.45 -5.01 119.74 121.21 3b6b s LYS 36 Ca -0.03 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 3b6b s LYS 36 Cb -0.05 -1.12 -0.05 0.00 -0.52 0.00 0.00 37.83 36.09 3b6b s LYS 36 CO -0.06 0.25 0.12 0.12 -0.92 0.00 0.00 175.35 174.86 3b6b s PHE 37 N -0.16 3.42 -0.25 3.18 5.36 -1.26 -1.63 117.98 126.64 3b6b s PHE 37 Ca 0.02 0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.34 3b6b s PHE 37 Cb -0.07 -2.08 0.06 0.00 -0.34 0.00 0.00 43.02 40.59 3b6b s PHE 37 CO 0.00 0.38 -0.08 -1.58 -1.46 0.00 0.00 175.22 172.48 3b6b s TRP 38 N 0.00 2.83 0.30 10.12 0.52 0.11 -4.99 118.94 127.83 3b6b s TRP 38 Ca 0.09 -2.04 -0.01 0.00 0.02 0.00 0.00 56.10 54.16 3b6b s TRP 38 Cb -0.11 -1.75 0.46 0.00 -1.15 0.00 0.00 33.47 30.91 3b6b s TRP 38 CO -0.00 -0.83 1.95 0.66 0.02 0.00 0.00 176.95 178.76 3b6b h SER 39 N 7.86 0.90 -2.43 2.95 4.64 -1.92 0.12 113.55 125.67 3b6b h SER 39 Ca -0.19 -0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 60.94 3b6b h SER 39 Cb 1.06 -0.23 -0.30 0.00 -0.31 0.00 0.00 62.40 62.62 3b6b h SER 39 CO 0.44 0.68 -0.45 -0.75 -0.87 0.00 0.00 176.83 175.87 3b6b s LYS 40 N -5.80 0.28 0.29 4.77 2.20 -1.26 -2.74 119.74 117.47 3b6b s LYS 40 Ca -0.11 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 55.99 3b6b s LYS 40 Cb 0.17 -0.07 -0.10 0.00 -1.51 0.00 0.00 37.83 36.33 3b6b s LYS 40 CO 0.79 -0.39 1.34 0.00 -0.36 0.00 0.00 175.35 176.73 3b6b s ALA 41 N 2.53 3.53 0.12 3.13 0.00 -1.26 -4.94 121.76 124.87 3b6b s ALA 41 Ca 0.03 1.25 -0.34 0.00 0.00 0.00 0.00 51.96 52.90 3b6b s ALA 41 Cb -0.13 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.35 3b6b s ALA 41 CO -0.12 -0.64 1.57 -2.30 0.00 0.00 0.00 175.76 174.26 3b6b n PRO 42 N 1.46 1.97 -0.32 0.00 -0.02 -1.26 -4.85 135.00 131.98 3b6b n PRO 42 Ca 0.03 0.71 0.11 0.00 -2.02 0.00 0.00 63.50 62.33 3b6b n PRO 42 Cb 0.42 -2.46 0.33 0.00 -0.02 0.00 0.00 33.50 31.76 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 6.00 0.77 -0.51 -0.52 2.43 -1.98 -2.19 114.38 118.37 3b6b h ARG 43 Ca -0.46 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 58.72 3b6b h ARG 43 Cb 1.27 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.60 3b6b h ARG 43 CO 0.88 0.51 0.25 -0.97 -1.51 0.00 0.00 179.97 179.12 3b6b h ASN 44 N 0.79 0.34 -0.68 -3.80 -0.73 -1.99 0.23 115.58 109.73 3b6b h ASN 44 Ca 0.51 0.03 0.07 0.00 1.87 0.00 0.00 56.30 58.78 3b6b h ASN 44 Cb 0.74 -0.03 -0.06 0.00 0.27 0.00 0.00 38.32 39.24 3b6b h ASN 44 CO -0.27 0.23 0.37 -0.07 -0.37 0.00 0.00 177.43 177.32 3b6b h LEU 45 N 0.48 0.54 -0.41 0.34 4.07 -1.78 0.04 115.31 118.58 3b6b h LEU 45 Ca 0.23 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 3b6b h LEU 45 Cb 0.16 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 3b6b h LEU 45 CO -0.17 0.34 0.02 0.40 -1.08 0.00 0.00 178.44 177.95 3b6b h ILE 46 N 0.67 1.25 -0.60 1.22 1.08 -1.20 -0.90 117.51 119.04 3b6b h ILE 46 Ca 0.31 -0.97 -0.08 0.00 -0.39 0.00 0.00 64.86 63.73 3b6b h ILE 46 Cb 0.23 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 3b6b h ILE 46 CO -0.20 0.33 0.05 -0.33 -0.69 0.00 0.00 178.15 177.31 3b6b h GLU 47 N 0.56 1.00 -0.38 2.37 5.08 -0.64 -1.65 114.58 120.92 3b6b h GLU 47 Ca 0.12 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 3b6b h GLU 47 Cb 0.44 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3b6b h GLU 47 CO 0.02 0.95 0.16 1.96 -1.00 0.00 0.00 179.01 181.10 3b6b h GLN 48 N 0.93 0.56 -0.52 2.33 4.20 -0.94 -1.31 115.11 120.36 3b6b h GLN 48 Ca 0.18 -0.10 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3b6b h GLN 48 Cb 0.47 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3b6b h GLN 48 CO 0.02 0.53 0.29 1.25 -0.67 0.00 0.00 178.83 180.24 3b6b h HIS 49 N 0.46 0.54 -0.79 2.96 2.76 -0.74 -2.35 115.15 117.99 3b6b h HIS 49 Ca 0.13 0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 58.03 3b6b h HIS 49 Cb 0.17 -0.17 -0.17 0.00 1.55 0.00 0.00 27.41 28.80 3b6b h HIS 49 CO -0.00 0.29 0.35 0.66 -1.30 0.00 0.00 177.93 177.92 3b6b n TYR 50 N -4.83 2.58 -0.31 5.26 4.02 -0.66 -4.69 117.16 118.54 3b6b n TYR 50 Ca 0.04 -1.35 0.13 0.00 -0.01 0.00 0.00 57.90 56.71 3b6b n TYR 50 Cb 0.10 -0.75 0.31 0.00 -0.02 0.00 0.00 39.34 38.98 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 2.30 0.47 0.00 -0.72 2.10 -0.66 0.13 116.57 120.19 3b6b h LYS 51 Ca 0.35 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 3b6b h LYS 51 Cb 2.45 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 33.68 3b6b h LYS 51 CO 0.82 0.31 0.00 0.39 -2.00 0.00 0.00 179.45 178.97 3b6b n GLU 52 N -4.97 0.14 -0.14 0.07 1.02 -1.26 -1.64 120.64 113.86 3b6b n GLU 52 Ca 0.22 0.60 0.09 0.00 -0.02 0.00 0.00 57.16 58.04 3b6b n GLU 52 Cb 0.63 -1.93 0.16 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.23 0.36 0.33 -0.32 8.25 0.45 -4.68 115.22 117.38 3b6b n HIS 53 Ca -0.01 -0.25 0.21 0.00 -0.26 0.00 0.00 57.72 57.42 3b6b n HIS 53 Cb 0.07 -0.01 1.12 0.00 1.12 0.00 0.00 29.99 32.29 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 3.32 0.00 -0.23 0.41 4.64 -1.32 -1.05 113.55 119.31 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 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 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 -3.18 2.27 -2.92 4.77 -0.58 -1.26 -4.91 120.64 114.83 3b6b n GLU 55 Ca -0.03 -2.05 -0.30 0.00 -0.42 0.00 0.00 57.16 54.36 3b6b n GLU 55 Cb 0.12 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 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 -1.57 3.79 0.55 3.49 -1.52 -0.40 -4.99 119.66 119.02 3b6b s GLN 56 Ca 0.32 0.46 0.33 0.00 -1.95 0.00 0.00 55.36 54.51 3b6b s GLN 56 Cb 0.20 -2.41 1.56 0.00 -0.22 0.00 0.00 33.01 32.14 3b6b s GLN 56 CO 0.29 0.00 2.08 0.66 -0.25 0.00 0.00 175.29 178.06 3b6b h SER 57 N 1.39 0.00 0.07 5.90 4.64 -1.92 -2.97 113.55 120.66 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 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3b6b h SER 57 CO 0.64 0.07 -0.16 0.00 -0.87 0.00 0.00 176.83 176.51 3b6b n TYR 58 N -3.31 0.00 0.03 4.77 0.18 -1.26 -4.64 117.16 112.93 3b6b n TYR 58 Ca -0.01 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.65 3b6b n TYR 58 Cb 0.25 -0.04 -0.05 0.00 -0.38 0.00 0.00 39.34 39.12 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 2.29 -0.94 -0.09 -3.48 3.04 -1.75 0.09 116.94 116.10 3b6b h PHE 59 Ca 0.00 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.82 3b6b h PHE 59 Cb 0.61 0.42 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 3b6b h PHE 59 CO 0.00 -0.42 -0.66 -0.91 -2.02 0.00 0.00 178.31 174.30 3b6b h ASN 60 N -0.46 0.40 -0.13 0.41 2.35 -1.85 -1.33 115.58 114.97 3b6b h ASN 60 Ca 0.07 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 3b6b h ASN 60 Cb 0.57 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3b6b h ASN 60 CO -0.32 0.95 -0.46 0.44 -1.65 0.00 0.00 177.43 176.39 3b6b h ASP 61 N 0.25 0.75 -0.54 5.81 3.32 -1.83 -0.69 116.42 123.48 3b6b h ASP 61 Ca -0.02 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 3b6b h ASP 61 Cb 1.20 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 3b6b h ASP 61 CO 0.11 1.09 0.25 -1.13 -1.72 0.00 0.00 179.24 177.84 3b6b h ASN 62 N 0.55 0.71 -0.47 6.45 -0.73 -0.85 -1.27 115.58 119.98 3b6b h ASN 62 Ca 0.03 -0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.07 3b6b h ASN 62 Cb 1.01 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 39.39 3b6b h ASN 62 CO 0.09 0.65 0.30 0.00 -0.37 0.00 0.00 177.43 178.11 3b6b h ASP 64 N 0.63 -0.18 -0.51 0.00 3.32 -0.95 -1.91 116.42 116.83 3b6b h ASP 64 Ca 0.17 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.36 3b6b h ASP 64 Cb -0.06 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3b6b h ASP 64 CO -0.04 -0.05 0.22 0.15 -1.72 0.00 0.00 179.24 177.80 3b6b h PHE 65 N 0.06 0.39 0.00 4.55 3.04 -0.97 -2.25 116.94 121.76 3b6b h PHE 65 Ca 0.16 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3b6b h PHE 65 Cb 0.22 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.63 3b6b h PHE 65 CO -0.25 0.16 0.00 0.52 -2.02 0.00 0.00 178.31 176.71 3b6b h MET 66 N 0.42 0.00 -0.40 1.11 2.86 -0.54 -0.64 114.93 117.74 3b6b h MET 66 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3b6b h MET 66 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3b6b h MET 66 CO -0.21 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.09 3b6b n VAL 67 N -2.67 0.78 1.47 -2.22 0.24 -0.82 -4.61 118.33 110.49 3b6b n VAL 67 Ca 0.00 -0.89 0.14 0.00 -2.04 0.00 0.00 64.34 61.55 3b6b n VAL 67 Cb 0.21 0.69 0.74 0.00 -1.47 0.00 0.00 33.84 34.01 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 0.98 0.00 -2.00 -1.34 3.41 -0.25 -4.80 113.62 109.62 3b6b n SER 68 Ca 0.15 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 3b6b n SER 68 Cb 0.49 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.95 0.73 3.74 5.00 0.00 -1.26 -5.07 105.19 109.27 3b6b n GLY 69 Ca 0.16 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.01 1.74 0.02 1.61 0.02 -1.11 -4.56 135.00 130.71 3b6b s PRO 70 Ca 0.10 1.11 0.02 0.00 0.02 0.00 0.00 61.00 62.25 3b6b s PRO 70 Cb -0.01 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.66 3b6b s PRO 70 CO 0.01 -1.99 -0.06 0.42 -0.33 0.00 0.00 177.00 175.05 3b6b s ILE 71 N -2.87 0.42 -0.14 2.83 1.01 0.41 -3.20 121.20 119.66 3b6b s ILE 71 Ca 0.63 -0.63 -0.00 0.00 0.00 0.00 0.00 60.65 60.64 3b6b s ILE 71 Cb -0.18 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.84 3b6b s ILE 71 CO 0.57 -0.15 -0.13 -0.63 0.00 0.00 0.00 174.94 174.60 3b6b s ILE 72 N -0.75 2.98 -0.16 2.92 1.01 -0.91 -0.71 121.20 125.57 3b6b s ILE 72 Ca -0.05 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 3b6b s ILE 72 Cb -0.06 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3b6b s ILE 72 CO 0.00 0.52 0.02 -0.94 0.00 0.00 0.00 174.94 174.53 3b6b s SER 73 N 0.49 5.27 -0.02 3.58 1.04 -0.65 -0.36 113.70 123.05 3b6b s SER 73 Ca -0.09 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.37 3b6b s SER 73 Cb -0.16 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.12 3b6b s SER 73 CO 0.04 0.20 -0.09 -0.63 0.98 0.00 0.00 173.24 173.74 3b6b s ILE 74 N 0.20 0.78 -0.32 -1.02 1.01 0.56 -1.34 121.20 121.07 3b6b s ILE 74 Ca 0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 3b6b s ILE 74 Cb -0.13 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3b6b s ILE 74 CO 0.02 0.24 0.24 -0.69 0.00 0.00 0.00 174.94 174.75 3b6b s VAL 75 N 0.17 5.28 0.06 2.92 1.01 -0.42 -0.16 120.40 129.26 3b6b s VAL 75 Ca -0.03 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3b6b s VAL 75 Cb -0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3b6b s VAL 75 CO 0.00 0.05 0.11 -0.31 0.00 0.00 0.00 175.10 174.96 3b6b s TYR 76 N 1.75 3.29 -0.01 5.22 1.51 -0.56 -0.45 117.35 128.11 3b6b s TYR 76 Ca 0.07 0.15 0.04 0.00 -1.01 0.00 0.00 57.07 56.31 3b6b s TYR 76 Cb -0.17 -1.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3b6b s TYR 76 CO 0.11 0.55 -0.12 -2.00 -1.11 0.00 0.00 175.55 172.98 3b6b s GLU 77 N -2.30 0.92 0.00 -0.62 2.12 0.35 -1.39 118.70 117.79 3b6b s GLU 77 Ca 0.30 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 55.20 3b6b s GLU 77 Cb -0.12 -0.89 0.00 0.00 0.26 0.00 0.00 34.13 33.37 3b6b s GLU 77 CO 0.22 0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 3b6b n GLY 78 N 2.75 0.60 3.68 -1.50 0.00 -0.86 -1.53 105.19 108.34 3b6b n GLY 78 Ca -0.14 -1.01 -0.46 0.00 0.00 0.00 0.00 46.02 44.41 3b6b n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3b6b n THR 79 N -0.49 0.32 -2.87 2.61 -1.04 -1.26 -1.39 114.28 110.15 3b6b n THR 79 Ca 0.00 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.05 61.74 3b6b n THR 79 Cb 0.00 -1.85 0.01 0.00 -1.82 0.00 0.00 70.33 66.68 3b6b n THR 79 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3b6b n ASP 80 N 5.24 -5.37 -0.36 8.00 4.64 0.19 -4.86 116.55 124.03 3b6b n ASP 80 Ca 0.19 -0.18 0.03 0.00 -1.38 0.00 0.00 54.79 53.45 3b6b n ASP 80 Cb 0.32 -4.41 0.18 0.00 -1.04 0.00 0.00 41.12 36.17 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 1.00 1.41 0.61 -1.67 0.00 -1.70 -0.69 119.26 118.22 3b6b h ALA 81 Ca -0.47 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 3b6b h ALA 81 Cb 1.33 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.82 3b6b h ALA 81 CO 0.54 0.45 -0.29 0.82 0.00 0.00 0.00 179.25 180.76 3b6b h ILE 82 N 1.18 0.39 -0.48 0.00 2.04 -1.87 -0.31 117.51 118.45 3b6b h ILE 82 Ca 0.43 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 66.16 3b6b h ILE 82 Cb 0.15 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3b6b h ILE 82 CO -0.17 0.01 -0.04 -1.28 0.00 0.00 0.00 178.15 176.67 3b6b h SER 83 N -0.84 0.86 -0.29 1.72 0.87 -1.85 -1.99 113.55 112.03 3b6b h SER 83 Ca -0.08 -0.33 -0.07 0.00 -1.23 0.00 0.00 61.79 60.08 3b6b h SER 83 Cb 0.64 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3b6b h SER 83 CO 0.14 0.98 -0.10 0.11 -0.53 0.00 0.00 176.83 177.43 3b6b h LYS 84 N 0.72 0.59 -0.07 2.24 1.79 -1.04 -1.40 116.57 119.39 3b6b h LYS 84 Ca 0.13 -0.24 -0.14 0.00 -2.18 0.00 0.00 60.65 58.22 3b6b h LYS 84 Cb 0.56 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 3b6b h LYS 84 CO 0.03 0.80 -0.58 0.82 -1.08 0.00 0.00 179.45 179.44 3b6b h ILE 85 N 0.34 1.38 -0.77 1.86 2.04 -1.09 -0.41 117.51 120.86 3b6b h ILE 85 Ca 0.07 -1.92 0.03 0.00 1.00 0.00 0.00 64.86 64.04 3b6b h ILE 85 Cb 0.60 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 38.59 3b6b h ILE 85 CO 0.03 0.57 0.49 0.03 0.00 0.00 0.00 178.15 179.27 3b6b h ARG 86 N 0.18 0.94 -0.54 2.37 2.47 -1.24 0.52 114.38 119.07 3b6b h ARG 86 Ca -0.00 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.55 3b6b h ARG 86 Cb 1.06 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 29.16 3b6b h ARG 86 CO 0.09 0.62 -0.10 -0.09 0.56 0.00 0.00 179.97 181.05 3b6b h ARG 87 N 0.96 1.01 -0.53 0.04 9.65 -0.80 -1.48 114.38 123.23 3b6b h ARG 87 Ca 0.30 -0.37 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3b6b h ARG 87 Cb -0.00 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3b6b h ARG 87 CO -0.11 1.05 0.18 1.25 2.80 0.00 0.00 179.97 185.14 3b6b h LEU 88 N 0.90 0.76 -0.13 3.80 5.85 -0.72 -2.67 115.31 123.11 3b6b h LEU 88 Ca 0.14 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3b6b h LEU 88 Cb 0.66 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3b6b h LEU 88 CO 0.05 0.75 -0.12 -0.61 -0.34 0.00 0.00 178.44 178.17 3b6b h GLN 89 N 0.72 -0.13 0.00 1.25 4.15 -0.76 0.41 115.11 120.75 3b6b h GLN 89 Ca 0.17 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3b6b h GLN 89 Cb 0.26 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3b6b h GLN 89 CO -0.01 -0.09 0.00 0.41 -1.93 0.00 0.00 178.83 177.21 3b6b n GLY 90 N -1.26 1.52 3.28 2.39 0.00 -0.57 -1.32 105.19 109.24 3b6b n GLY 90 Ca -0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 0.13 0.00 1.61 2.20 -1.26 -4.79 114.94 108.83 3b6b s ASN 91 Ca 0.00 -1.13 0.15 0.00 -0.94 0.00 0.00 52.86 50.94 3b6b s ASN 91 Cb 0.00 0.40 0.66 0.00 -2.00 0.00 0.00 41.25 40.31 3b6b s ASN 91 CO 0.00 -0.87 1.48 2.30 -2.94 0.00 0.00 177.10 177.07 3b6b n ILE 92 N -0.22 0.92 0.05 0.54 -5.35 -1.26 -1.59 119.36 112.45 3b6b n ILE 92 Ca -0.03 0.23 0.02 0.00 -0.27 0.00 0.00 62.75 62.70 3b6b n ILE 92 Cb 0.64 -0.97 -0.07 0.00 -1.74 0.00 0.00 39.64 37.50 3b6b n ILE 92 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3b6b h LEU 93 N 0.00 0.00 -7.94 7.28 3.38 -1.89 -3.43 115.31 112.71 3b6b h LEU 93 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 3b6b h LEU 93 Cb 0.25 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.72 3b6b h LEU 93 CO 0.00 0.50 -0.28 -0.89 0.09 0.00 0.00 178.44 177.86 3b6b s THR 94 N -2.98 4.62 0.75 0.22 2.01 -1.02 -5.01 115.64 114.23 3b6b s THR 94 Ca -0.02 -1.89 -0.15 0.00 0.31 0.00 0.00 61.69 59.94 3b6b s THR 94 Cb 0.09 -3.99 0.05 0.00 0.01 0.00 0.00 72.50 68.66 3b6b s THR 94 CO 0.81 -0.84 1.24 -2.84 -0.69 0.00 0.00 174.62 172.29 3b6b s PRO 95 N 1.16 1.94 0.00 4.92 0.02 -1.26 -3.11 135.00 138.67 3b6b s PRO 95 Ca 0.07 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.96 3b6b s PRO 95 Cb -0.25 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3b6b s PRO 95 CO -0.01 -2.01 0.00 0.41 -0.33 0.00 0.00 177.00 175.06 3b6b n GLY 96 N 0.64 3.36 3.96 0.52 0.00 -1.26 -4.92 105.19 107.49 3b6b n GLY 96 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.97 3.27 0.09 2.61 -4.23 -1.18 -4.93 115.64 108.30 3b6b s THR 97 Ca 0.00 -1.11 -0.30 0.00 -1.18 0.00 0.00 61.69 59.09 3b6b s THR 97 Cb 0.00 -3.13 -0.14 0.00 1.34 0.00 0.00 72.50 70.57 3b6b s THR 97 CO 0.00 -0.06 1.63 0.40 -0.54 0.00 0.00 174.62 176.05 3b6b h ILE 98 N 0.86 0.39 -0.34 2.99 2.04 -0.94 0.50 117.51 123.00 3b6b h ILE 98 Ca -0.42 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3b6b h ILE 98 Cb 1.27 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3b6b h ILE 98 CO 0.51 0.00 -0.11 0.03 0.00 0.00 0.00 178.15 178.58 3b6b h ARG 99 N -0.68 0.59 -0.24 2.37 3.08 -1.43 -1.16 114.38 116.90 3b6b h ARG 99 Ca -0.03 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.75 3b6b h ARG 99 Cb 0.58 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3b6b h ARG 99 CO 0.00 0.69 -0.25 0.78 -1.07 0.00 0.00 179.97 180.12 3b6b h GLY 100 N 0.95 0.51 1.17 0.04 0.00 -1.02 -1.31 103.07 103.41 3b6b h GLY 100 Ca 0.10 -0.41 -0.29 0.00 0.00 0.00 0.00 47.33 46.73 3b6b h GLY 100 CO 0.03 0.38 -1.58 -0.55 0.00 0.00 0.00 176.54 174.82 3b6b h ASP 101 N 0.41 0.10 0.00 0.19 3.32 -0.80 -3.37 116.42 116.27 3b6b h ASP 101 Ca 0.06 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3b6b h ASP 101 Cb 0.67 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3b6b h ASP 101 CO 0.05 1.15 -0.97 0.18 -1.72 0.00 0.00 179.24 177.93 3b6b n LEU 102 N -3.20 0.00 -4.52 1.55 4.77 -0.45 -5.07 117.00 110.08 3b6b n LEU 102 Ca -0.15 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.58 3b6b n LEU 102 Cb 1.03 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.02 3b6b n LEU 102 CO 0.46 0.00 -0.45 0.00 -1.33 0.00 0.00 177.39 176.07 3b6b s ALA 103 N -1.94 2.83 -0.31 -1.18 0.00 -0.50 -5.03 121.76 115.63 3b6b s ALA 103 Ca 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 51.96 50.40 3b6b s ALA 103 Cb 0.00 -0.47 0.43 0.00 0.00 0.00 0.00 23.12 23.08 3b6b s ALA 103 CO 0.00 0.34 1.43 -1.71 0.00 0.00 0.00 175.76 175.83 3b6b n ASN 104 N -0.38 -0.72 -3.81 0.00 5.15 -1.26 -4.70 115.26 109.53 3b6b n ASN 104 Ca -0.08 -2.17 -0.11 0.00 -0.60 0.00 0.00 54.58 51.62 3b6b n ASN 104 Cb 0.58 0.40 -0.08 0.00 -0.53 0.00 0.00 39.78 40.15 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 -1.77 -0.04 0.23 1.20 -1.08 -1.26 -5.04 116.67 108.91 3b6b s ASP 105 Ca 0.13 -0.23 0.06 0.00 -0.52 0.00 0.00 52.55 51.99 3b6b s ASP 105 Cb 0.41 0.30 0.22 0.00 -1.46 0.00 0.00 42.92 42.38 3b6b s ASP 105 CO -0.11 -0.53 1.53 -0.29 0.52 0.00 0.00 175.17 176.29 3b6b h ILE 106 N 3.57 1.44 0.00 4.11 2.10 -2.01 -3.38 117.51 123.34 3b6b h ILE 106 Ca -0.31 -2.21 -0.30 0.00 1.08 0.00 0.00 64.86 63.11 3b6b h ILE 106 Cb 1.19 2.18 -0.05 0.00 -1.09 0.00 0.00 36.82 39.05 3b6b h ILE 106 CO 0.45 0.64 -1.99 -1.14 -1.08 0.00 0.00 178.15 175.04 3b6b n ARG 107 N -3.79 0.53 -2.75 2.19 0.63 -1.26 -4.75 116.66 107.47 3b6b n ARG 107 Ca -0.02 0.23 -0.43 0.00 -0.92 0.00 0.00 57.85 56.70 3b6b n ARG 107 Cb 0.67 -1.40 -0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 -2.58 3.99 -0.13 -0.14 2.02 -1.26 -4.68 118.70 115.93 3b6b s GLU 108 Ca -0.33 -2.18 0.17 0.00 0.02 0.00 0.00 54.97 52.64 3b6b s GLU 108 Cb 0.11 -5.30 0.28 0.00 0.10 0.00 0.00 34.13 29.31 3b6b s GLU 108 CO 0.44 -2.03 1.14 0.27 0.02 0.00 0.00 175.26 175.10 3b6b n ASN 109 N 7.20 2.11 0.00 -0.19 0.23 -1.26 -4.06 115.26 119.30 3b6b n ASN 109 Ca 0.42 -3.06 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 3b6b n ASN 109 Cb 0.45 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 -1.29 0.00 -3.76 -4.53 4.77 -1.26 -4.80 117.00 106.13 3b6b n LEU 110 Ca 0.15 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 3b6b n LEU 110 Cb 0.65 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.64 3b6b n LEU 110 CO 0.01 0.00 0.01 -0.51 -1.33 0.00 0.00 177.39 175.56 3b6b s ILE 111 N 0.00 0.01 -0.08 -0.08 2.07 -1.26 -0.93 121.20 120.92 3b6b s ILE 111 Ca 0.00 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3b6b s ILE 111 Cb 0.00 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.08 3b6b s ILE 111 CO 0.00 -0.03 -0.11 -2.28 -1.91 0.00 0.00 174.94 170.61 3b6b s HIS 112 N 0.03 2.81 -0.03 3.50 5.65 -0.02 -4.97 115.29 122.26 3b6b s HIS 112 Ca -0.01 -0.24 0.04 0.00 0.25 0.00 0.00 55.06 55.10 3b6b s HIS 112 Cb -0.03 -1.72 -0.00 0.00 -1.18 0.00 0.00 32.58 29.65 3b6b s HIS 112 CO 0.01 0.11 -0.15 0.00 -0.65 0.00 0.00 174.74 174.07 3b6b s ALA 113 N -0.42 1.32 0.21 1.58 0.00 -1.26 -0.87 121.76 122.32 3b6b s ALA 113 Ca 0.05 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 3b6b s ALA 113 Cb -0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 23.12 22.41 3b6b s ALA 113 CO 0.02 0.24 0.91 0.43 0.00 0.00 0.00 175.76 177.36 3b6b n SER 114 N 3.13 0.47 -0.35 0.00 7.64 -0.61 -4.89 113.62 119.01 3b6b n SER 114 Ca -0.18 1.15 0.11 0.00 1.01 0.00 0.00 58.87 60.96 3b6b n SER 114 Cb 0.53 -1.14 -0.04 0.00 -1.01 0.00 0.00 64.21 62.55 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 1.69 1.72 -3.93 6.43 5.75 -1.26 -4.65 116.55 122.29 3b6b n ASP 115 Ca 0.14 -1.36 -0.09 0.00 -0.01 0.00 0.00 54.79 53.47 3b6b n ASP 115 Cb 0.26 0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 40.94 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 -2.63 -0.12 0.19 -1.12 1.04 -1.26 -4.94 113.70 104.86 3b6b s SER 116 Ca 0.15 -0.80 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 3b6b s SER 116 Cb 0.17 0.58 0.16 0.00 0.10 0.00 0.00 66.02 67.03 3b6b s SER 116 CO 0.66 -1.11 1.82 -0.33 0.98 0.00 0.00 173.24 175.26 3b6b h GLU 117 N 2.26 0.68 -0.01 4.02 5.08 -1.97 -0.89 114.58 123.76 3b6b h GLU 117 Ca -0.27 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3b6b h GLU 117 Cb 1.25 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3b6b h GLU 117 CO 0.36 0.45 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.39 3b6b h ASP 118 N 0.71 0.01 -0.02 1.42 3.32 -2.00 -2.38 116.42 117.49 3b6b h ASP 118 Ca 0.25 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 3b6b h ASP 118 Cb 0.05 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3b6b h ASP 118 CO -0.12 0.33 -0.11 0.77 -1.72 0.00 0.00 179.24 178.39 3b6b h SER 119 N -0.30 0.27 -0.34 6.45 4.64 -1.95 -1.79 113.55 120.52 3b6b h SER 119 Ca 0.00 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3b6b h SER 119 Cb 0.32 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 3b6b h SER 119 CO 0.00 0.41 0.15 0.00 -0.87 0.00 0.00 176.83 176.52 3b6b h ALA 120 N 1.62 0.45 -0.46 5.18 0.00 -1.09 0.44 119.26 125.40 3b6b h ALA 120 Ca 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3b6b h ALA 120 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3b6b h ALA 120 CO 0.02 0.03 0.23 0.28 0.00 0.00 0.00 179.25 179.81 3b6b h VAL 121 N 0.41 1.18 -0.28 0.00 2.07 -1.13 -1.30 116.25 117.21 3b6b h VAL 121 Ca 0.12 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3b6b h VAL 121 Cb 0.17 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3b6b h VAL 121 CO -0.01 0.20 -0.04 -0.78 0.02 0.00 0.00 177.57 176.96 3b6b h ASP 122 N 0.60 0.52 -0.50 0.57 3.58 -1.12 -2.26 116.42 117.81 3b6b h ASP 122 Ca 0.16 -0.34 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 3b6b h ASP 122 Cb 0.10 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3b6b h ASP 122 CO -0.02 0.74 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.59 3b6b h GLU 123 N 0.29 1.00 -0.95 0.28 5.08 -0.05 -2.47 114.58 117.75 3b6b h GLU 123 Ca 0.07 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3b6b h GLU 123 Cb 0.50 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 3b6b h GLU 123 CO 0.02 1.08 0.62 0.82 -1.00 0.00 0.00 179.01 180.55 3b6b h ILE 124 N 0.86 1.15 -0.05 3.13 2.04 -1.23 -2.28 117.51 121.14 3b6b h ILE 124 Ca 0.12 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 3b6b h ILE 124 Cb 0.73 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3b6b h ILE 124 CO 0.06 0.22 -0.38 0.77 0.00 0.00 0.00 178.15 178.81 3b6b h SER 125 N 1.18 0.10 0.13 1.72 4.64 -1.05 0.19 113.55 120.47 3b6b h SER 125 Ca 0.38 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 3b6b h SER 125 Cb 0.03 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3b6b h SER 125 CO -0.12 0.48 -0.06 0.40 -0.87 0.00 0.00 176.83 176.65 3b6b h ILE 126 N 0.08 1.04 0.00 0.95 2.04 -0.99 -3.08 117.51 117.55 3b6b h ILE 126 Ca 0.01 -0.82 -0.24 0.00 1.00 0.00 0.00 64.86 64.80 3b6b h ILE 126 Cb 0.72 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 3b6b h ILE 126 CO 0.05 0.19 -1.31 -0.50 0.00 0.00 0.00 178.15 176.59 3b6b h TRP 127 N -0.58 0.00 -2.11 1.37 4.06 -1.39 -3.39 115.95 113.92 3b6b h TRP 127 Ca -0.02 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.36 3b6b h TRP 127 Cb 0.45 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.20 3b6b h TRP 127 CO 0.05 0.99 -0.86 1.19 -3.56 0.00 0.00 178.44 176.25 3b6b n PHE 128 N -3.21 1.80 0.20 0.49 3.72 0.68 -4.95 117.46 116.18 3b6b n PHE 128 Ca -0.07 -3.88 0.04 0.00 -0.05 0.00 0.00 57.45 53.49 3b6b n PHE 128 Cb 0.98 -0.46 0.40 0.00 -0.94 0.00 0.00 39.48 39.47 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 3.88 0.00 0.00 -1.08 0.13 -1.69 -3.41 132.00 129.83 3b6b h PRO 129 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3b6b h PRO 129 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3b6b h PRO 129 CO 0.66 0.34 0.00 -1.91 -0.23 0.00 0.00 178.00 176.85