#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6b s GLN 2 N 0.00 0.70 0.02 1.96 -0.21 -0.44 -4.86 119.66 116.84 3b6b s GLN 2 Ca 0.00 -1.28 0.08 0.00 0.02 0.00 0.00 55.36 54.18 3b6b s GLN 2 Cb 0.00 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.18 3b6b s GLN 2 CO 0.00 -0.14 -0.22 1.03 -2.12 0.00 0.00 175.29 173.83 3b6b s ARG 3 N -3.95 2.02 0.09 2.91 0.52 -1.26 -1.75 118.95 117.52 3b6b s ARG 3 Ca 0.11 -0.99 0.01 0.00 -0.52 0.00 0.00 55.73 54.34 3b6b s ARG 3 Cb 0.08 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 3b6b s ARG 3 CO -0.07 0.54 -0.06 -0.08 0.02 0.00 0.00 175.30 175.65 3b6b s THR 4 N -0.80 0.59 -0.18 0.02 -1.32 -0.17 -4.77 115.64 109.01 3b6b s THR 4 Ca 0.12 -1.88 -0.07 0.00 -1.21 0.00 0.00 61.69 58.65 3b6b s THR 4 Cb -0.10 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 3b6b s THR 4 CO 0.02 -0.89 0.05 -0.22 -2.21 0.00 0.00 174.62 171.38 3b6b s LEU 5 N -2.98 3.77 -0.08 9.08 2.96 -1.26 -1.37 118.68 128.81 3b6b s LEU 5 Ca 0.10 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 3b6b s LEU 5 Cb 0.05 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 3b6b s LEU 5 CO -0.06 0.17 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.27 3b6b s VAL 6 N 0.38 2.64 -0.14 1.68 1.01 0.11 -1.66 120.40 124.41 3b6b s VAL 6 Ca 0.03 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 3b6b s VAL 6 Cb -0.12 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3b6b s VAL 6 CO 0.00 0.56 -0.06 -0.76 0.00 0.00 0.00 175.10 174.84 3b6b s LEU 7 N -0.19 3.10 -0.27 3.92 1.43 0.11 -0.42 118.68 126.36 3b6b s LEU 7 Ca -0.01 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 3b6b s LEU 7 Cb -0.13 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3b6b s LEU 7 CO 0.03 0.18 0.35 -0.63 0.23 0.00 0.00 176.35 176.51 3b6b s ILE 8 N 0.30 5.19 0.51 -0.59 1.01 0.24 -1.07 121.20 126.79 3b6b s ILE 8 Ca -0.05 0.53 -0.04 0.00 0.00 0.00 0.00 60.65 61.08 3b6b s ILE 8 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 3b6b s ILE 8 CO 0.04 0.18 0.79 -0.54 0.00 0.00 0.00 174.94 175.41 3b6b s LYS 9 N 1.97 3.26 0.57 2.79 1.02 -0.21 -2.26 119.74 126.88 3b6b s LYS 9 Ca 0.14 0.00 0.27 0.00 0.02 0.00 0.00 55.97 56.41 3b6b s LYS 9 Cb -0.16 -2.38 1.53 0.00 -0.52 0.00 0.00 37.83 36.30 3b6b s LYS 9 CO 0.10 -0.36 2.03 -1.35 -0.92 0.00 0.00 175.35 174.85 3b6b h PRO 10 N 0.14 0.00 0.00 -1.68 0.11 -1.81 -0.92 132.00 127.84 3b6b h PRO 10 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3b6b h PRO 10 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3b6b h PRO 10 CO 0.61 0.00 -0.38 0.38 -0.21 0.00 0.00 178.00 178.40 3b6b h ASP 11 N 0.00 0.00 -0.34 -2.05 2.03 -1.91 -1.88 116.42 112.27 3b6b h ASP 11 Ca 0.15 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.35 3b6b h ASP 11 Cb 0.74 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.23 3b6b h ASP 11 CO -0.00 0.38 -0.16 0.00 -1.03 0.00 0.00 179.24 178.43 3b6b h ALA 12 N 1.62 0.92 -0.19 4.15 0.00 -1.41 -0.97 119.26 123.38 3b6b h ALA 12 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 3b6b h ALA 12 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3b6b h ALA 12 CO 0.05 0.62 0.01 0.74 0.00 0.00 0.00 179.25 180.67 3b6b h PHE 13 N 0.71 0.35 -0.83 0.00 -1.00 -1.51 0.36 116.94 115.03 3b6b h PHE 13 Ca 0.11 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3b6b h PHE 13 Cb 0.66 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 40.09 3b6b h PHE 13 CO 0.04 0.51 0.53 1.49 -1.61 0.00 0.00 178.31 179.27 3b6b h GLU 14 N 0.09 1.11 -0.49 1.51 4.57 -1.23 -2.55 114.58 117.59 3b6b h GLU 14 Ca 0.05 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3b6b h GLU 14 Cb 0.36 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3b6b h GLU 14 CO 0.01 0.75 0.00 0.54 -1.18 0.00 0.00 179.01 179.13 3b6b n ARG 15 N -4.40 2.35 -3.72 1.92 1.74 -0.38 -4.96 116.66 109.21 3b6b n ARG 15 Ca 0.09 -2.07 -0.24 0.00 -0.77 0.00 0.00 57.85 54.86 3b6b n ARG 15 Cb 0.04 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 30.05 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 1.22 -3.44 -0.55 0.55 7.64 -0.62 -4.91 113.62 113.49 3b6b n SER 16 Ca 0.19 -0.73 0.05 0.00 1.01 0.00 0.00 58.87 59.39 3b6b n SER 16 Cb 0.51 -4.32 0.14 0.00 -1.01 0.00 0.00 64.21 59.54 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 -4.53 2.84 0.14 -3.43 4.77 0.12 -4.73 117.00 112.19 3b6b n LEU 17 Ca -0.13 -2.08 -0.13 0.00 -0.03 0.00 0.00 56.01 53.64 3b6b n LEU 17 Cb 0.60 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 3b6b n LEU 17 CO 0.69 0.69 0.74 0.58 -1.33 0.00 0.00 177.39 178.77 3b6b h VAL 18 N 1.68 0.59 -0.56 4.08 2.07 -1.91 -1.42 116.25 120.78 3b6b h VAL 18 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3b6b h VAL 18 Cb 0.74 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3b6b h VAL 18 CO 0.01 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.81 3b6b h ALA 19 N 0.34 0.73 -0.52 1.67 0.00 -1.94 -1.15 119.26 118.40 3b6b h ALA 19 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3b6b h ALA 19 Cb 0.39 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3b6b h ALA 19 CO -0.04 0.36 0.15 1.49 0.00 0.00 0.00 179.25 181.21 3b6b h GLU 20 N 0.77 0.29 0.10 0.00 4.57 -1.84 0.31 114.58 118.80 3b6b h GLU 20 Ca 0.18 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 3b6b h GLU 20 Cb 0.23 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3b6b h GLU 20 CO -0.01 0.19 -0.05 0.82 -1.18 0.00 0.00 179.01 178.79 3b6b h ILE 21 N 0.30 1.07 -0.80 2.32 2.04 -0.95 -2.66 117.51 118.83 3b6b h ILE 21 Ca 0.26 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.52 3b6b h ILE 21 Cb 0.32 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3b6b h ILE 21 CO -0.30 0.16 0.52 0.24 0.00 0.00 0.00 178.15 178.77 3b6b h MET 22 N -0.44 0.89 -0.74 2.37 2.86 -1.03 -2.44 114.93 116.40 3b6b h MET 22 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3b6b h MET 22 Cb 0.36 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3b6b h MET 22 CO 0.02 0.59 0.31 0.78 1.06 0.00 0.00 176.91 179.66 3b6b h GLY 23 N 0.91 1.17 1.10 8.32 0.00 -0.28 -0.35 103.07 113.93 3b6b h GLY 23 Ca 0.33 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3b6b h GLY 23 CO -0.11 0.58 0.07 3.21 0.00 0.00 0.00 176.54 180.29 3b6b h ARG 24 N 1.07 1.09 -0.27 4.80 3.08 -1.08 0.18 114.38 123.25 3b6b h ARG 24 Ca 0.25 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 3b6b h ARG 24 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3b6b h ARG 24 CO -0.02 1.02 -0.16 0.82 -1.07 0.00 0.00 179.97 180.56 3b6b h ILE 25 N 1.01 1.30 -0.88 2.04 2.04 -1.38 -2.99 117.51 118.66 3b6b h ILE 25 Ca 0.19 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3b6b h ILE 25 Cb 0.49 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3b6b h ILE 25 CO 0.02 0.40 0.51 -0.08 0.00 0.00 0.00 178.15 179.00 3b6b h GLU 26 N 0.31 1.21 0.00 2.37 4.81 -0.79 -2.42 114.58 120.07 3b6b h GLU 26 Ca 0.06 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 3b6b h GLU 26 Cb 0.68 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3b6b h GLU 26 CO 0.04 0.86 -0.18 0.87 -0.73 0.00 0.00 179.01 179.87 3b6b h LYS 27 N 1.22 0.00 -0.14 1.92 1.79 -0.62 -1.44 116.57 119.31 3b6b h LYS 27 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3b6b h LYS 27 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3b6b h LYS 27 CO -0.06 0.18 0.00 1.17 -1.08 0.00 0.00 179.45 179.66 3b6b n LYS 28 N -3.57 1.43 -1.08 3.15 4.81 -0.92 -4.91 118.16 117.07 3b6b n LYS 28 Ca -0.01 -0.66 0.00 0.00 -0.87 0.00 0.00 58.31 56.77 3b6b n LYS 28 Cb 0.32 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.11 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 -0.05 -2.81 -4.83 3.14 4.05 -0.54 -5.06 115.26 109.16 3b6b n ASN 29 Ca 0.11 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.80 3b6b n ASN 29 Cb 0.19 -0.50 -0.06 0.00 1.23 0.00 0.00 39.78 40.64 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 -2.00 3.51 -0.05 1.20 0.40 -1.16 -4.90 117.98 114.97 3b6b s PHE 30 Ca 0.00 1.34 0.04 0.00 -0.60 0.00 0.00 56.93 57.71 3b6b s PHE 30 Cb 0.00 -2.61 -0.02 0.00 0.51 0.00 0.00 43.02 40.90 3b6b s PHE 30 CO 0.00 0.20 -0.15 0.15 0.70 0.00 0.00 175.22 176.12 3b6b s LYS 31 N -2.49 2.54 -0.05 0.44 -0.14 -0.68 -4.48 119.74 114.88 3b6b s LYS 31 Ca 0.49 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 54.09 3b6b s LYS 31 Cb -0.13 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 3b6b s LYS 31 CO 0.19 0.58 1.26 0.42 -0.76 0.00 0.00 175.35 177.05 3b6b s ILE 32 N -0.63 4.12 -0.07 2.17 1.01 -1.26 -0.82 121.20 125.72 3b6b s ILE 32 Ca 0.09 1.45 0.09 0.00 0.00 0.00 0.00 60.65 62.28 3b6b s ILE 32 Cb -0.11 -3.93 -0.13 0.00 0.01 0.00 0.00 42.46 38.30 3b6b s ILE 32 CO 0.01 -0.02 0.09 1.33 0.00 0.00 0.00 174.94 176.35 3b6b n VAL 33 N 4.71 0.45 -3.88 2.92 0.24 -0.19 -4.95 118.33 117.63 3b6b n VAL 33 Ca 0.12 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 61.96 3b6b n VAL 33 Cb 0.45 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3b6b n VAL 33 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3b6b s SER 34 N -3.85 0.03 -0.24 -1.34 0.01 -1.18 -4.99 113.70 102.14 3b6b s SER 34 Ca -0.04 -0.19 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 3b6b s SER 34 Cb 0.04 0.20 0.07 0.00 0.21 0.00 0.00 66.02 66.54 3b6b s SER 34 CO 0.39 -0.34 0.61 -0.32 0.41 0.00 0.00 173.24 173.99 3b6b s MET 35 N -1.29 0.66 -0.02 12.44 0.00 -1.26 -1.05 119.30 128.78 3b6b s MET 35 Ca -0.14 0.99 0.03 0.00 0.00 0.00 0.00 55.69 56.57 3b6b s MET 35 Cb -0.07 0.21 0.00 0.00 0.00 0.00 0.00 34.83 34.96 3b6b s MET 35 CO 0.01 -0.12 -0.10 0.15 0.00 0.00 0.00 175.02 174.96 3b6b s LYS 36 N 1.01 1.03 -0.18 4.11 1.02 -0.29 -5.00 119.74 121.44 3b6b s LYS 36 Ca -0.05 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 55.48 3b6b s LYS 36 Cb -0.05 -0.95 -0.05 0.00 -0.52 0.00 0.00 37.83 36.25 3b6b s LYS 36 CO -0.09 0.15 0.18 0.12 -0.92 0.00 0.00 175.35 174.79 3b6b s PHE 37 N 0.10 3.44 -0.25 3.18 5.36 -1.26 -1.23 117.98 127.31 3b6b s PHE 37 Ca -0.02 0.42 0.01 0.00 -0.96 0.00 0.00 56.93 56.38 3b6b s PHE 37 Cb -0.08 -2.20 0.04 0.00 -0.34 0.00 0.00 43.02 40.44 3b6b s PHE 37 CO 0.00 0.30 -0.09 -1.58 -1.46 0.00 0.00 175.22 172.39 3b6b s TRP 38 N 0.31 3.13 0.38 10.12 0.52 0.12 -4.97 118.94 128.55 3b6b s TRP 38 Ca 0.11 -1.94 0.09 0.00 0.02 0.00 0.00 56.10 54.39 3b6b s TRP 38 Cb -0.12 -1.99 0.85 0.00 -1.15 0.00 0.00 33.47 31.06 3b6b s TRP 38 CO 0.00 -0.82 1.92 0.66 0.02 0.00 0.00 176.95 178.74 3b6b h SER 39 N 7.90 0.58 -2.53 2.95 4.64 -1.93 -1.53 113.55 123.63 3b6b h SER 39 Ca -0.27 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 3b6b h SER 39 Cb 1.08 -0.10 -0.26 0.00 -0.31 0.00 0.00 62.40 62.80 3b6b h SER 39 CO 0.53 0.34 -0.33 -0.75 -0.87 0.00 0.00 176.83 175.75 3b6b s LYS 40 N -5.60 0.36 0.24 4.77 2.20 -1.26 -3.00 119.74 117.45 3b6b s LYS 40 Ca -0.09 1.07 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 3b6b s LYS 40 Cb 0.21 0.36 -0.09 0.00 -1.51 0.00 0.00 37.83 36.79 3b6b s LYS 40 CO 0.77 -0.23 1.31 0.00 -0.36 0.00 0.00 175.35 176.83 3b6b s ALA 41 N 2.52 3.52 0.32 3.13 0.00 -1.26 -4.96 121.76 125.03 3b6b s ALA 41 Ca -0.03 1.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 3b6b s ALA 41 Cb -0.12 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 3b6b s ALA 41 CO -0.14 -0.55 1.55 -2.30 0.00 0.00 0.00 175.76 174.32 3b6b n PRO 42 N 2.05 2.68 -0.13 0.00 -0.02 -1.26 -4.86 135.00 133.45 3b6b n PRO 42 Ca 0.04 0.95 0.05 0.00 -2.02 0.00 0.00 63.50 62.52 3b6b n PRO 42 Cb 0.42 -2.71 0.37 0.00 -0.02 0.00 0.00 33.50 31.56 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 4.08 0.70 -1.01 -0.52 2.43 -1.98 -2.48 114.38 115.60 3b6b h ARG 43 Ca -0.48 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.67 3b6b h ARG 43 Cb 1.23 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 30.57 3b6b h ARG 43 CO 0.73 0.46 0.66 -2.95 -1.51 0.00 0.00 179.97 177.37 3b6b h ASN 44 N 0.72 1.13 -0.35 -3.80 -1.07 -1.99 -0.65 115.58 109.56 3b6b h ASN 44 Ca 0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 56.30 56.60 3b6b h ASN 44 Cb 0.13 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 36.09 3b6b h ASN 44 CO -0.07 0.80 0.21 -0.07 0.07 0.00 0.00 177.43 178.36 3b6b h LEU 45 N 1.32 0.43 -0.29 6.14 4.07 -1.82 -1.65 115.31 123.51 3b6b h LEU 45 Ca 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.28 3b6b h LEU 45 Cb -0.08 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 3b6b h LEU 45 CO -0.10 0.37 0.16 0.40 -1.08 0.00 0.00 178.44 178.19 3b6b h ILE 46 N 0.46 1.12 -0.62 1.22 1.08 -1.30 -0.10 117.51 119.37 3b6b h ILE 46 Ca 0.13 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 64.22 3b6b h ILE 46 Cb 0.02 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3b6b h ILE 46 CO -0.02 0.12 0.11 -0.33 -0.69 0.00 0.00 178.15 177.33 3b6b h GLU 47 N 0.35 1.00 -0.19 2.37 5.08 -1.08 -1.07 114.58 121.05 3b6b h GLU 47 Ca 0.10 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3b6b h GLU 47 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3b6b h GLU 47 CO -0.02 0.92 0.11 1.96 -1.00 0.00 0.00 179.01 180.98 3b6b h GLN 48 N 0.94 0.26 -0.70 2.33 4.20 -1.15 -2.21 115.11 118.79 3b6b h GLN 48 Ca 0.19 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.96 3b6b h GLN 48 Cb 0.40 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.06 3b6b h GLN 48 CO 0.01 0.23 0.36 1.25 -0.67 0.00 0.00 178.83 180.02 3b6b h HIS 49 N 0.21 0.66 -0.88 2.96 2.76 -0.48 -1.80 115.15 118.58 3b6b h HIS 49 Ca 0.07 0.03 -0.44 0.00 -2.20 0.00 0.00 60.37 57.83 3b6b h HIS 49 Cb 0.05 -0.19 -0.26 0.00 1.55 0.00 0.00 27.41 28.55 3b6b h HIS 49 CO -0.04 0.27 0.56 0.66 -1.30 0.00 0.00 177.93 178.07 3b6b n TYR 50 N -4.83 2.72 -0.32 5.26 4.02 -0.45 -4.68 117.16 118.87 3b6b n TYR 50 Ca 0.10 -1.65 0.15 0.00 -0.01 0.00 0.00 57.90 56.50 3b6b n TYR 50 Cb 0.24 -0.85 0.39 0.00 -0.02 0.00 0.00 39.34 39.10 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 1.07 0.62 0.00 -0.72 2.10 -0.67 -1.21 116.57 117.76 3b6b h LYS 51 Ca 0.54 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 59.15 3b6b h LYS 51 Cb 2.64 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 33.83 3b6b h LYS 51 CO 0.96 0.41 -0.03 1.49 -2.00 0.00 0.00 179.45 180.28 3b6b h GLU 52 N 0.64 0.00 -0.43 0.07 4.57 -1.85 -2.50 114.58 115.08 3b6b h GLU 52 Ca 0.54 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.72 3b6b h GLU 52 Cb 1.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3b6b h GLU 52 CO -0.31 0.03 0.00 0.72 -1.18 0.00 0.00 179.01 178.28 3b6b n HIS 53 N -3.18 0.55 0.25 0.92 8.25 -0.46 -4.69 115.22 116.86 3b6b n HIS 53 Ca -0.01 -0.28 0.17 0.00 -0.26 0.00 0.00 57.72 57.34 3b6b n HIS 53 Cb 0.24 0.00 0.90 0.00 1.12 0.00 0.00 29.99 32.25 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 4.29 0.00 -0.19 0.41 4.64 -1.50 -0.25 113.55 120.95 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 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 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 -2.66 1.74 -2.27 4.77 4.71 -1.26 -4.93 120.64 120.74 3b6b n GLU 55 Ca -0.02 -1.68 -0.31 0.00 -0.01 0.00 0.00 57.16 55.14 3b6b n GLU 55 Cb 0.05 -1.28 -0.02 0.00 -1.01 0.00 0.00 31.44 29.18 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 -1.05 3.81 0.45 3.49 -1.52 -0.10 -4.97 119.66 119.76 3b6b s GLN 56 Ca 0.21 0.83 0.14 0.00 -1.95 0.00 0.00 55.36 54.59 3b6b s GLN 56 Cb 0.12 -2.15 1.00 0.00 -0.22 0.00 0.00 33.01 31.77 3b6b s GLN 56 CO 0.17 -0.34 2.00 0.66 -0.25 0.00 0.00 175.29 177.53 3b6b h SER 57 N 0.53 0.01 0.25 5.90 4.64 -1.94 -2.88 113.55 120.07 3b6b h SER 57 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3b6b h SER 57 Cb 1.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3b6b h SER 57 CO 0.62 0.18 -0.15 0.00 -0.87 0.00 0.00 176.83 176.61 3b6b n TYR 58 N -4.33 0.00 0.04 4.77 0.18 -1.26 -4.56 117.16 111.99 3b6b n TYR 58 Ca -0.02 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.62 3b6b n TYR 58 Cb 0.24 -0.13 -0.07 0.00 -0.38 0.00 0.00 39.34 39.00 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 1.01 -1.28 -0.44 -3.48 3.04 -1.73 0.94 116.94 115.01 3b6b h PHE 59 Ca 0.00 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 3b6b h PHE 59 Cb 0.42 0.57 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 3b6b h PHE 59 CO 0.00 -0.51 0.19 -0.91 -2.02 0.00 0.00 178.31 175.06 3b6b h ASN 60 N -0.57 0.59 -0.71 0.41 2.35 -1.84 -0.92 115.58 114.89 3b6b h ASN 60 Ca 0.05 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 3b6b h ASN 60 Cb 0.66 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 3b6b h ASN 60 CO -0.36 0.58 0.30 0.44 -1.65 0.00 0.00 177.43 176.75 3b6b h ASP 61 N 0.56 0.98 -0.46 5.81 3.32 -1.80 0.74 116.42 125.58 3b6b h ASP 61 Ca 0.15 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 3b6b h ASP 61 Cb 0.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3b6b h ASP 61 CO -0.01 0.86 0.05 -1.13 -1.72 0.00 0.00 179.24 177.29 3b6b h ASN 62 N 1.05 0.74 -0.66 6.45 -0.73 -0.59 -1.68 115.58 120.16 3b6b h ASN 62 Ca 0.25 -0.28 -0.03 0.00 1.87 0.00 0.00 56.30 58.11 3b6b h ASN 62 Cb 0.18 -0.20 -0.03 0.00 0.27 0.00 0.00 38.32 38.54 3b6b h ASN 62 CO -0.02 0.83 0.30 0.00 -0.37 0.00 0.00 177.43 178.17 3b6b h ASP 64 N 0.92 0.74 -0.33 0.00 3.32 -0.76 -2.05 116.42 118.27 3b6b h ASP 64 Ca 0.23 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3b6b h ASP 64 Cb 0.15 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3b6b h ASP 64 CO -0.03 0.50 0.22 0.15 -1.72 0.00 0.00 179.24 178.36 3b6b h PHE 65 N 0.88 0.41 0.00 4.55 3.04 -1.01 -2.15 116.94 122.65 3b6b h PHE 65 Ca 0.31 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.27 3b6b h PHE 65 Cb 0.07 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.44 3b6b h PHE 65 CO -0.04 0.26 0.00 0.52 -2.02 0.00 0.00 178.31 177.02 3b6b h MET 66 N 0.44 0.00 -0.05 1.11 2.86 -0.63 0.01 114.93 118.67 3b6b h MET 66 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3b6b h MET 66 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3b6b h MET 66 CO -0.03 0.00 0.00 0.28 1.06 0.00 0.00 176.91 178.22 3b6b n VAL 67 N -2.31 0.06 1.15 -2.22 0.31 -0.83 -4.61 118.33 109.88 3b6b n VAL 67 Ca 0.01 -0.53 0.13 0.00 -0.01 0.00 0.00 64.34 63.94 3b6b n VAL 67 Cb 0.18 1.29 0.65 0.00 -0.91 0.00 0.00 33.84 35.05 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 0.94 0.00 -1.05 4.52 3.41 -0.01 -4.82 113.62 116.61 3b6b n SER 68 Ca 0.10 0.16 -0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3b6b n SER 68 Cb 0.42 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.17 1.16 3.74 5.00 0.00 -1.26 -5.07 105.19 109.92 3b6b n GLY 69 Ca 0.10 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 1.59 0.03 1.61 0.02 -1.16 -4.59 135.00 130.50 3b6b s PRO 70 Ca 0.01 0.88 -0.01 0.00 0.02 0.00 0.00 61.00 61.90 3b6b s PRO 70 Cb -0.00 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 3b6b s PRO 70 CO 0.00 -2.03 -0.01 0.96 -0.33 0.00 0.00 177.00 175.59 3b6b s ILE 71 N -2.95 0.15 -0.13 2.83 -4.36 -0.58 -2.93 121.20 113.22 3b6b s ILE 71 Ca 0.63 -1.22 -0.00 0.00 -0.26 0.00 0.00 60.65 59.79 3b6b s ILE 71 Cb -0.17 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.78 3b6b s ILE 71 CO 0.56 -0.67 -0.13 -0.63 0.24 0.00 0.00 174.94 174.32 3b6b s ILE 72 N -2.37 3.09 -0.13 8.37 1.01 -0.96 -0.70 121.20 129.50 3b6b s ILE 72 Ca -0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3b6b s ILE 72 Cb -0.03 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 3b6b s ILE 72 CO -0.04 0.52 0.08 -0.94 0.00 0.00 0.00 174.94 174.57 3b6b s SER 73 N 0.34 5.90 -0.02 3.58 1.04 -0.36 -0.60 113.70 123.58 3b6b s SER 73 Ca -0.11 0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.61 3b6b s SER 73 Cb -0.16 -1.88 0.02 0.00 0.10 0.00 0.00 66.02 64.10 3b6b s SER 73 CO 0.06 0.34 -0.01 -0.63 0.98 0.00 0.00 173.24 173.97 3b6b s ILE 74 N -0.61 0.18 -0.27 -1.02 1.01 0.44 -1.13 121.20 119.80 3b6b s ILE 74 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.66 3b6b s ILE 74 Cb -0.12 -0.22 -0.05 0.00 0.01 0.00 0.00 42.46 42.08 3b6b s ILE 74 CO 0.02 0.11 0.21 -0.69 0.00 0.00 0.00 174.94 174.59 3b6b s VAL 75 N 0.57 5.30 0.12 2.92 1.01 -0.22 0.05 120.40 130.15 3b6b s VAL 75 Ca -0.06 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.19 3b6b s VAL 75 Cb -0.08 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3b6b s VAL 75 CO -0.01 0.26 0.12 -0.31 0.00 0.00 0.00 175.10 175.16 3b6b s TYR 76 N 1.66 3.22 0.01 5.22 1.51 -0.47 -1.03 117.35 127.47 3b6b s TYR 76 Ca 0.08 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.23 3b6b s TYR 76 Cb -0.15 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3b6b s TYR 76 CO 0.10 0.52 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.96 3b6b s GLU 77 N -2.73 0.79 0.00 -0.62 2.12 0.00 -0.99 118.70 117.27 3b6b s GLU 77 Ca 0.31 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.13 3b6b s GLU 77 Cb -0.11 -0.75 0.00 0.00 0.26 0.00 0.00 34.13 33.53 3b6b s GLU 77 CO 0.23 0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 3b6b n GLY 78 N 2.43 -0.02 3.67 -1.50 0.00 -0.72 -1.68 105.19 107.38 3b6b n GLY 78 Ca -0.16 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.71 0.61 -2.30 2.61 -1.04 -1.26 -1.32 114.28 110.86 3b6b n THR 79 Ca 0.00 -0.11 -0.19 0.00 -2.04 0.00 0.00 64.05 61.71 3b6b n THR 79 Cb 0.00 -2.20 -0.01 0.00 -1.82 0.00 0.00 70.33 66.30 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 6.76 -5.51 -0.20 8.00 4.64 -1.26 -4.86 116.55 124.12 3b6b n ASP 80 Ca 0.20 0.02 0.12 0.00 -1.38 0.00 0.00 54.79 53.74 3b6b n ASP 80 Cb 0.38 -4.57 0.42 0.00 -1.04 0.00 0.00 41.12 36.32 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 0.84 1.91 0.42 -1.67 0.00 -1.73 -1.55 119.26 117.47 3b6b h ALA 81 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3b6b h ALA 81 Cb 1.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3b6b h ALA 81 CO 0.54 -0.10 -0.20 0.82 0.00 0.00 0.00 179.25 180.31 3b6b h ILE 82 N 0.59 0.54 -0.20 0.00 2.04 -1.88 -0.52 117.51 118.08 3b6b h ILE 82 Ca 0.38 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3b6b h ILE 82 Cb 0.64 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3b6b h ILE 82 CO -0.14 0.07 0.07 -1.28 0.00 0.00 0.00 178.15 176.87 3b6b h SER 83 N -0.82 0.29 -0.58 1.72 0.87 -1.84 -2.12 113.55 111.08 3b6b h SER 83 Ca -0.06 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.26 3b6b h SER 83 Cb 0.54 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3b6b h SER 83 CO 0.09 0.40 0.13 0.11 -0.53 0.00 0.00 176.83 177.03 3b6b h LYS 84 N 0.16 0.94 -0.05 2.24 1.79 -1.27 -0.07 116.57 120.31 3b6b h LYS 84 Ca 0.07 -0.23 -0.17 0.00 -2.18 0.00 0.00 60.65 58.14 3b6b h LYS 84 Cb 0.21 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3b6b h LYS 84 CO -0.00 0.88 -0.70 0.82 -1.08 0.00 0.00 179.45 179.36 3b6b h ILE 85 N 0.85 1.41 -0.42 1.86 2.04 -1.15 -0.93 117.51 121.17 3b6b h ILE 85 Ca 0.18 -2.18 0.03 0.00 1.00 0.00 0.00 64.86 63.89 3b6b h ILE 85 Cb 0.36 2.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3b6b h ILE 85 CO 0.00 0.64 0.21 -0.09 0.00 0.00 0.00 178.15 178.92 3b6b h ARG 86 N 0.18 0.41 -0.55 2.37 1.12 -1.10 -0.84 114.38 115.97 3b6b h ARG 86 Ca -0.02 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.76 3b6b h ARG 86 Cb 1.25 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.10 3b6b h ARG 86 CO 0.11 0.27 0.07 0.00 -3.11 0.00 0.00 179.97 177.31 3b6b h ARG 87 N 0.42 0.89 -0.67 0.20 3.08 -0.83 -1.57 114.38 115.90 3b6b h ARG 87 Ca 0.18 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3b6b h ARG 87 Cb 0.09 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3b6b h ARG 87 CO -0.13 0.85 0.27 1.25 -1.07 0.00 0.00 179.97 181.14 3b6b h LEU 88 N 0.84 0.92 -0.11 3.04 5.85 -0.86 -2.67 115.31 122.32 3b6b h LEU 88 Ca 0.17 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3b6b h LEU 88 Cb 0.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3b6b h LEU 88 CO 0.01 0.83 0.06 -0.61 -0.34 0.00 0.00 178.44 178.39 3b6b h GLN 89 N 0.95 0.12 0.00 1.25 4.15 -0.94 0.16 115.11 120.79 3b6b h GLN 89 Ca 0.22 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3b6b h GLN 89 Cb 0.20 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3b6b h GLN 89 CO -0.02 0.08 0.00 0.41 -1.93 0.00 0.00 178.83 177.37 3b6b n GLY 90 N -1.12 1.85 3.37 2.39 0.00 -0.61 -0.92 105.19 110.14 3b6b n GLY 90 Ca -0.05 -0.51 -0.10 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 0.05 0.00 1.61 2.20 -1.26 -4.78 114.94 108.76 3b6b s ASN 91 Ca 0.00 -1.05 0.08 0.00 -0.94 0.00 0.00 52.86 50.95 3b6b s ASN 91 Cb 0.00 0.46 0.34 0.00 -2.00 0.00 0.00 41.25 40.05 3b6b s ASN 91 CO 0.00 -0.94 1.25 2.30 -2.94 0.00 0.00 177.10 176.76 3b6b n ILE 92 N -0.27 1.43 0.12 0.54 -5.35 -1.26 -1.60 119.36 112.96 3b6b n ILE 92 Ca -0.03 0.36 0.10 0.00 -0.27 0.00 0.00 62.75 62.91 3b6b n ILE 92 Cb 0.63 -1.22 0.02 0.00 -1.74 0.00 0.00 39.64 37.33 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 -7.88 7.28 3.38 -1.88 -3.42 115.31 112.78 3b6b h LEU 93 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 3b6b h LEU 93 Cb 0.13 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.57 3b6b h LEU 93 CO 0.00 0.09 -0.42 -0.89 0.09 0.00 0.00 178.44 177.31 3b6b s THR 94 N -3.27 3.94 0.65 0.22 2.01 -0.80 -5.01 115.64 113.38 3b6b s THR 94 Ca 0.01 -1.98 -0.18 0.00 0.31 0.00 0.00 61.69 59.85 3b6b s THR 94 Cb 0.09 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 3b6b s THR 94 CO 0.77 -0.77 1.26 -2.84 -0.69 0.00 0.00 174.62 172.35 3b6b s PRO 95 N 1.15 2.57 0.00 4.92 0.02 -1.26 -2.82 135.00 139.57 3b6b s PRO 95 Ca 0.08 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3b6b s PRO 95 Cb -0.24 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.42 3b6b s PRO 95 CO -0.02 -1.56 0.00 0.41 -0.33 0.00 0.00 177.00 175.50 3b6b n GLY 96 N 0.73 3.39 3.96 0.52 0.00 -1.26 -4.94 105.19 107.59 3b6b n GLY 96 Ca 0.15 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 -2.86 3.76 0.09 2.61 -4.23 -1.13 -4.93 115.64 108.94 3b6b s THR 97 Ca 0.00 -1.09 -0.28 0.00 -1.18 0.00 0.00 61.69 59.14 3b6b s THR 97 Cb 0.00 -3.29 -0.15 0.00 1.34 0.00 0.00 72.50 70.40 3b6b s THR 97 CO 0.00 -0.13 1.67 0.40 -0.54 0.00 0.00 174.62 176.02 3b6b h ILE 98 N 0.94 0.61 -0.30 2.99 2.04 -0.66 0.13 117.51 123.26 3b6b h ILE 98 Ca -0.45 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 3b6b h ILE 98 Cb 1.26 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3b6b h ILE 98 CO 0.53 0.00 -0.33 0.03 0.00 0.00 0.00 178.15 178.38 3b6b h ARG 99 N -0.46 0.65 -0.96 2.37 3.08 -1.26 -1.24 114.38 116.55 3b6b h ARG 99 Ca -0.03 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.74 3b6b h ARG 99 Cb 0.39 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 3b6b h ARG 99 CO 0.02 0.89 0.64 0.78 -1.07 0.00 0.00 179.97 181.23 3b6b h GLY 100 N 1.00 1.36 1.39 0.04 0.00 -1.08 -1.40 103.07 104.38 3b6b h GLY 100 Ca 0.06 -0.51 -0.27 0.00 0.00 0.00 0.00 47.33 46.62 3b6b h GLY 100 CO 0.07 0.49 -1.42 -0.55 0.00 0.00 0.00 176.54 175.13 3b6b h ASP 101 N 1.31 0.07 0.00 0.19 3.32 -0.62 -3.40 116.42 117.29 3b6b h ASP 101 Ca 0.35 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3b6b h ASP 101 Cb -0.15 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3b6b h ASP 101 CO -0.08 1.09 -0.53 0.18 -1.72 0.00 0.00 179.24 178.19 3b6b n LEU 102 N -3.24 0.00 -4.43 1.55 4.77 -0.48 -5.05 117.00 110.12 3b6b n LEU 102 Ca -0.11 -0.18 -0.26 0.00 -0.03 0.00 0.00 56.01 55.43 3b6b n LEU 102 Cb 1.01 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.98 3b6b n LEU 102 CO 0.47 0.00 -0.52 0.00 -1.33 0.00 0.00 177.39 176.00 3b6b s ALA 103 N -1.42 2.57 -0.32 -1.18 0.00 -0.54 -5.02 121.76 115.86 3b6b s ALA 103 Ca 0.00 -1.68 0.17 0.00 0.00 0.00 0.00 51.96 50.45 3b6b s ALA 103 Cb 0.00 -0.32 0.45 0.00 0.00 0.00 0.00 23.12 23.25 3b6b s ALA 103 CO 0.00 0.41 1.33 -1.71 0.00 0.00 0.00 175.76 175.79 3b6b n ASN 104 N 0.13 -0.22 -3.83 0.00 5.15 -1.26 -4.70 115.26 110.53 3b6b n ASN 104 Ca -0.11 -2.21 -0.12 0.00 -0.60 0.00 0.00 54.58 51.54 3b6b n ASN 104 Cb 0.57 0.22 -0.09 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 -2.24 -0.03 0.35 1.20 -1.08 -1.26 -5.05 116.67 108.57 3b6b s ASP 105 Ca 0.18 -0.17 0.17 0.00 -0.52 0.00 0.00 52.55 52.20 3b6b s ASP 105 Cb 0.40 0.26 0.62 0.00 -1.46 0.00 0.00 42.92 42.74 3b6b s ASP 105 CO -0.08 -0.44 1.72 -0.29 0.52 0.00 0.00 175.17 176.59 3b6b h ILE 106 N 3.94 1.04 0.00 4.11 2.10 -2.02 -3.39 117.51 123.29 3b6b h ILE 106 Ca -0.31 -1.63 -0.24 0.00 1.08 0.00 0.00 64.86 63.77 3b6b h ILE 106 Cb 1.19 1.95 -0.04 0.00 -1.09 0.00 0.00 36.82 38.83 3b6b h ILE 106 CO 0.42 0.42 -1.78 -1.14 -1.08 0.00 0.00 178.15 175.00 3b6b n ARG 107 N -3.64 0.31 -2.76 2.19 0.63 -1.26 -4.80 116.66 107.33 3b6b n ARG 107 Ca -0.01 0.14 -0.43 0.00 -0.92 0.00 0.00 57.85 56.63 3b6b n ARG 107 Cb 0.52 -1.02 -0.01 0.00 0.45 0.00 0.00 32.46 32.40 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 -2.28 3.93 -0.12 -0.14 2.02 -1.26 -4.68 118.70 116.17 3b6b s GLU 108 Ca -0.20 -2.09 0.15 0.00 0.02 0.00 0.00 54.97 52.85 3b6b s GLU 108 Cb 0.08 -5.26 0.34 0.00 0.10 0.00 0.00 34.13 29.39 3b6b s GLU 108 CO 0.26 -2.00 1.17 0.27 0.02 0.00 0.00 175.26 174.97 3b6b n ASN 109 N 7.18 1.53 0.00 -0.19 0.23 -1.26 -4.07 115.26 118.67 3b6b n ASN 109 Ca 0.39 -3.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.35 3b6b n ASN 109 Cb 0.46 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 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 -0.75 0.00 -3.73 -4.53 4.77 -1.26 -4.79 117.00 106.71 3b6b n LEU 110 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3b6b n LEU 110 Cb 0.77 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.76 3b6b n LEU 110 CO -0.02 0.00 0.10 -0.51 -1.33 0.00 0.00 177.39 175.63 3b6b s ILE 111 N 0.00 -0.00 -0.08 -0.08 2.07 -1.26 -1.05 121.20 120.80 3b6b s ILE 111 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 3b6b s ILE 111 Cb 0.00 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 3b6b s ILE 111 CO 0.00 0.00 -0.13 -2.28 -1.91 0.00 0.00 174.94 170.62 3b6b s HIS 112 N 0.23 2.77 -0.02 3.50 5.65 -0.23 -4.97 115.29 122.21 3b6b s HIS 112 Ca -0.00 -0.31 0.05 0.00 0.25 0.00 0.00 55.06 55.05 3b6b s HIS 112 Cb -0.03 -1.72 -0.01 0.00 -1.18 0.00 0.00 32.58 29.64 3b6b s HIS 112 CO 0.01 0.06 -0.17 0.00 -0.65 0.00 0.00 174.74 173.98 3b6b s ALA 113 N -0.35 1.47 0.26 1.58 0.00 -1.26 -0.72 121.76 122.75 3b6b s ALA 113 Ca 0.04 -0.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 3b6b s ALA 113 Cb -0.13 -0.40 -0.15 0.00 0.00 0.00 0.00 23.12 22.45 3b6b s ALA 113 CO 0.02 0.34 0.98 0.43 0.00 0.00 0.00 175.76 177.54 3b6b n SER 114 N 2.76 1.05 0.01 0.00 7.64 -0.66 -4.88 113.62 119.54 3b6b n SER 114 Ca -0.15 1.17 0.11 0.00 1.01 0.00 0.00 58.87 61.01 3b6b n SER 114 Cb 0.54 -1.25 0.07 0.00 -1.01 0.00 0.00 64.21 62.56 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 1.41 0.68 -3.87 6.43 5.68 -1.26 -4.65 116.55 120.98 3b6b n ASP 115 Ca 0.11 -0.46 -0.07 0.00 -0.50 0.00 0.00 54.79 53.87 3b6b n ASP 115 Cb 0.30 0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 40.89 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 -3.27 -0.24 0.21 -1.12 1.04 -1.26 -4.94 113.70 104.12 3b6b s SER 116 Ca 0.08 -0.65 -0.10 0.00 0.48 0.00 0.00 55.95 55.76 3b6b s SER 116 Cb 0.16 0.72 0.20 0.00 0.10 0.00 0.00 66.02 67.20 3b6b s SER 116 CO 0.78 -1.33 1.84 -0.33 0.98 0.00 0.00 173.24 175.17 3b6b h GLU 117 N 2.03 0.78 0.17 4.02 5.08 -1.97 0.19 114.58 124.87 3b6b h GLU 117 Ca -0.20 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3b6b h GLU 117 Cb 1.25 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3b6b h GLU 117 CO 0.24 0.52 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.25 3b6b h ASP 118 N 0.80 -0.19 -0.29 1.42 3.32 -2.00 -1.41 116.42 118.08 3b6b h ASP 118 Ca 0.29 -0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.37 3b6b h ASP 118 Cb 0.07 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 3b6b h ASP 118 CO -0.13 -0.10 -0.07 0.28 -1.72 0.00 0.00 179.24 177.50 3b6b h SER 119 N -0.26 -0.26 -0.20 6.45 0.02 -1.90 -1.69 113.55 115.71 3b6b h SER 119 Ca -0.02 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3b6b h SER 119 Cb 0.20 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 3b6b h SER 119 CO 0.04 -0.09 0.11 0.00 -1.14 0.00 0.00 176.83 175.74 3b6b h ALA 120 N 1.29 0.25 -0.39 3.77 0.00 -0.50 0.34 119.26 124.02 3b6b h ALA 120 Ca 0.14 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3b6b h ALA 120 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3b6b h ALA 120 CO -0.30 -0.31 0.21 0.28 0.00 0.00 0.00 179.25 179.13 3b6b h VAL 121 N 0.23 1.00 0.28 0.00 2.07 -1.11 -0.01 116.25 118.70 3b6b h VAL 121 Ca 0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3b6b h VAL 121 Cb 0.01 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3b6b h VAL 121 CO -0.05 0.08 -0.13 -0.78 0.02 0.00 0.00 177.57 176.70 3b6b h ASP 122 N 0.42 -0.32 -0.47 0.57 3.58 -0.85 -2.40 116.42 116.96 3b6b h ASP 122 Ca 0.16 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 3b6b h ASP 122 Cb 0.05 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3b6b h ASP 122 CO -0.10 -0.19 0.12 -0.33 -2.88 0.00 0.00 179.24 175.85 3b6b h GLU 123 N -0.41 0.75 -0.68 0.28 5.08 -0.10 -1.00 114.58 118.50 3b6b h GLU 123 Ca -0.04 -0.18 0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3b6b h GLU 123 Cb 0.32 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.39 3b6b h GLU 123 CO 0.06 0.74 0.28 0.82 -1.00 0.00 0.00 179.01 179.90 3b6b h ILE 124 N 0.64 0.75 -0.15 3.13 2.04 -1.04 -1.17 117.51 121.70 3b6b h ILE 124 Ca 0.15 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 3b6b h ILE 124 Cb 0.32 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3b6b h ILE 124 CO 0.00 0.08 -0.14 -1.28 0.00 0.00 0.00 178.15 176.82 3b6b h SER 125 N 0.46 0.23 -0.04 1.72 0.87 -0.83 0.40 113.55 116.35 3b6b h SER 125 Ca 0.35 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3b6b h SER 125 Cb 0.45 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3b6b h SER 125 CO -0.33 0.39 -0.01 0.40 -0.53 0.00 0.00 176.83 176.75 3b6b h ILE 126 N 0.23 1.29 0.00 2.23 2.04 -0.08 -3.09 117.51 120.13 3b6b h ILE 126 Ca 0.05 -0.89 -0.24 0.00 1.00 0.00 0.00 64.86 64.77 3b6b h ILE 126 Cb 0.39 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3b6b h ILE 126 CO 0.02 0.24 -1.38 -0.50 0.00 0.00 0.00 178.15 176.54 3b6b h TRP 127 N -0.26 0.00 -2.12 1.37 4.06 -1.10 -3.39 115.95 114.51 3b6b h TRP 127 Ca 0.01 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.40 3b6b h TRP 127 Cb 0.39 0.00 -0.41 0.00 -1.00 0.00 0.00 29.16 28.14 3b6b h TRP 127 CO 0.05 0.91 -0.87 1.19 -3.56 0.00 0.00 178.44 176.16 3b6b n PHE 128 N -3.13 1.95 0.23 0.49 3.72 0.14 -5.03 117.46 115.83 3b6b n PHE 128 Ca -0.10 -3.89 0.02 0.00 -0.05 0.00 0.00 57.45 53.43 3b6b n PHE 128 Cb 0.97 -0.46 0.11 0.00 -0.94 0.00 0.00 39.48 39.16 3b6b n PHE 128 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36