#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj8 h GLU 2 N 0.00 0.57 -6.63 2.12 4.39 -2.14 -3.45 114.58 109.45 2bj8 h GLU 2 Ca 0.00 -0.62 -0.70 0.00 0.34 0.00 0.00 59.36 58.38 2bj8 h GLU 2 Cb 0.00 0.18 -0.29 0.00 -0.10 0.00 0.00 28.75 28.54 2bj8 h GLU 2 CO 0.00 1.23 -0.89 -0.51 -1.16 0.00 0.00 179.01 177.69 2bj8 s LEU 3 N -7.94 2.09 -0.18 1.33 1.43 -1.26 -5.11 118.68 109.04 2bj8 s LEU 3 Ca -0.08 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.52 2bj8 s LEU 3 Cb 0.08 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 2bj8 s LEU 3 CO 0.90 0.31 -0.11 -0.63 0.23 0.00 0.00 176.35 177.04 2bj8 s ILE 4 N -0.66 2.95 -0.16 -0.59 1.01 -1.26 -5.10 121.20 117.40 2bj8 s ILE 4 Ca 0.10 -0.66 -0.08 0.00 0.00 0.00 0.00 60.65 60.01 2bj8 s ILE 4 Cb -0.10 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 2bj8 s ILE 4 CO -0.00 0.49 0.13 -0.60 0.00 0.00 0.00 174.94 174.95 2bj8 s ARG 5 N 1.00 3.77 0.20 2.79 3.52 -1.26 -5.09 118.95 123.87 2bj8 s ARG 5 Ca -0.01 -0.19 -0.16 0.00 -0.13 0.00 0.00 55.73 55.23 2bj8 s ARG 5 Cb -0.15 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2bj8 s ARG 5 CO -0.02 0.55 0.50 -0.59 -0.81 0.00 0.00 175.30 174.93 2bj8 s PHE 6 N -0.36 -0.05 0.29 5.12 -0.12 -1.26 -5.18 117.98 116.42 2bj8 s PHE 6 Ca 0.11 -0.30 0.09 0.00 -0.05 0.00 0.00 56.93 56.78 2bj8 s PHE 6 Cb -0.12 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2bj8 s PHE 6 CO 0.01 -0.90 0.05 -1.54 -0.05 0.00 0.00 175.22 172.78 2bj8 s SER 7 N -2.89 4.62 0.00 1.98 1.04 -1.26 -5.13 113.70 112.06 2bj8 s SER 7 Ca 0.11 -0.67 -0.13 0.00 0.48 0.00 0.00 55.95 55.74 2bj8 s SER 7 Cb -0.01 -0.83 0.02 0.00 0.10 0.00 0.00 66.02 65.30 2bj8 s SER 7 CO -0.02 -0.09 0.26 -0.51 0.98 0.00 0.00 173.24 173.86 2bj8 s ILE 8 N -2.35 0.07 -0.11 -1.02 2.07 -1.26 -5.16 121.20 113.45 2bj8 s ILE 8 Ca 0.33 -0.58 -0.00 0.00 -1.41 0.00 0.00 60.65 58.99 2bj8 s ILE 8 Cb -0.05 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 2bj8 s ILE 8 CO 0.21 -0.32 -0.10 -0.44 -1.91 0.00 0.00 174.94 172.38 2bj8 s SER 9 N -1.49 4.34 -0.00 4.50 0.01 -1.26 -5.12 113.70 114.68 2bj8 s SER 9 Ca -0.12 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2bj8 s SER 9 Cb -0.05 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2bj8 s SER 9 CO 0.02 0.24 -0.00 -0.63 0.41 0.00 0.00 173.24 173.28 2bj8 s ILE 10 N -0.07 0.04 0.30 1.44 1.01 -1.26 -5.12 121.20 117.53 2bj8 s ILE 10 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 2bj8 s ILE 10 Cb -0.14 -0.05 -0.13 0.00 0.01 0.00 0.00 42.46 42.16 2bj8 s ILE 10 CO 0.03 0.02 1.34 -2.65 0.00 0.00 0.00 174.94 173.68 2bj8 n PRO 11 N 3.12 2.08 -0.34 2.79 -0.02 -1.26 -4.79 135.00 136.58 2bj8 n PRO 11 Ca -0.13 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.12 2bj8 n PRO 11 Cb 0.59 -2.34 0.18 0.00 -0.02 0.00 0.00 33.50 31.91 2bj8 n PRO 11 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2bj8 h SER 12 N 3.29 0.88 -0.15 2.55 4.64 -2.00 -1.68 113.55 121.09 2bj8 h SER 12 Ca -0.45 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 60.91 2bj8 h SER 12 Cb 1.28 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2bj8 h SER 12 CO 0.68 0.53 0.04 0.11 -0.87 0.00 0.00 176.83 177.32 2bj8 h LYS 13 N 0.99 0.10 -0.92 4.77 1.79 -2.00 0.11 116.57 121.42 2bj8 h LYS 13 Ca 0.43 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.89 2bj8 h LYS 13 Cb 0.30 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.88 2bj8 h LYS 13 CO -0.21 0.06 0.55 1.25 -1.08 0.00 0.00 179.45 180.02 2bj8 h LEU 14 N 0.10 1.11 -0.70 2.94 5.85 -1.82 -2.61 115.31 120.18 2bj8 h LEU 14 Ca 0.07 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2bj8 h LEU 14 Cb 0.05 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2bj8 h LEU 14 CO -0.08 0.86 -0.50 0.25 -0.34 0.00 0.00 178.44 178.63 2bj8 h LEU 15 N 1.27 0.42 -0.16 2.25 5.85 -0.79 -2.39 115.31 121.77 2bj8 h LEU 15 Ca 0.33 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2bj8 h LEU 15 Cb -0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2bj8 h LEU 15 CO -0.06 0.85 0.08 -0.33 -0.34 0.00 0.00 178.44 178.64 2bj8 h GLU 16 N 0.31 0.23 -0.39 1.25 5.08 -0.43 -0.31 114.58 120.32 2bj8 h GLU 16 Ca 0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bj8 h GLU 16 Cb 0.98 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2bj8 h GLU 16 CO 0.09 0.27 0.23 -0.22 -1.00 0.00 0.00 179.01 178.38 2bj8 h LYS 17 N 0.13 0.53 -0.49 2.33 3.64 -1.45 -1.08 116.57 120.19 2bj8 h LYS 17 Ca 0.05 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2bj8 h LYS 17 Cb 0.12 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2bj8 h LYS 17 CO -0.01 0.40 0.30 0.35 -2.27 0.00 0.00 179.45 178.22 2bj8 h PHE 18 N 0.51 0.56 -0.69 1.91 3.57 -1.25 -1.76 116.94 119.79 2bj8 h PHE 18 Ca 0.14 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2bj8 h PHE 18 Cb 0.01 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 2bj8 h PHE 18 CO -0.04 0.33 0.34 -0.44 -2.23 0.00 0.00 178.31 176.27 2bj8 h ASP 19 N 0.60 0.89 -0.18 0.41 3.32 -0.74 -1.41 116.42 119.31 2bj8 h ASP 19 Ca 0.19 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2bj8 h ASP 19 Cb -0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 2bj8 h ASP 19 CO -0.08 0.76 0.12 -0.61 -1.72 0.00 0.00 179.24 177.71 2bj8 h GLN 20 N 0.95 0.24 0.34 3.56 4.15 -0.78 -1.81 115.11 121.77 2bj8 h GLN 20 Ca 0.24 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.62 2bj8 h GLN 20 Cb 0.10 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 2bj8 h GLN 20 CO -0.03 0.18 -0.16 0.82 -1.93 0.00 0.00 178.83 177.70 2bj8 h ILE 21 N 0.24 0.68 0.00 2.39 2.04 -1.12 -2.58 117.51 119.15 2bj8 h ILE 21 Ca 0.07 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2bj8 h ILE 21 Cb -0.01 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2bj8 h ILE 21 CO -0.01 0.04 -0.07 0.16 0.00 0.00 0.00 178.15 178.26 2bj8 h ILE 22 N -0.57 0.43 -0.25 -0.67 3.07 -1.25 -1.75 117.51 116.51 2bj8 h ILE 22 Ca -0.05 -0.38 -0.15 0.00 1.55 0.00 0.00 64.86 65.83 2bj8 h ILE 22 Cb 0.42 1.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.24 2bj8 h ILE 22 CO 0.08 0.07 -0.43 -0.33 -1.05 0.00 0.00 178.15 176.49 2bj8 h GLU 23 N 0.00 0.74 -0.09 0.16 5.08 -1.16 -1.30 114.58 118.01 2bj8 h GLU 23 Ca -0.00 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2bj8 h GLU 23 Cb 0.26 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2bj8 h GLU 23 CO 0.01 1.08 0.04 0.93 -1.00 0.00 0.00 179.01 180.07 2bj8 h GLU 24 N 0.47 0.13 -0.35 2.33 5.08 -0.94 -2.53 114.58 118.76 2bj8 h GLU 24 Ca 0.02 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2bj8 h GLU 24 Cb 1.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2bj8 h GLU 24 CO 0.10 0.21 0.27 0.82 -1.00 0.00 0.00 179.01 179.42 2bj8 h ILE 25 N 0.01 0.71 0.00 3.13 2.04 -1.38 -3.45 117.51 118.56 2bj8 h ILE 25 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2bj8 h ILE 25 Cb 0.13 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2bj8 h ILE 25 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2bj8 n GLY 26 N -1.56 1.16 3.77 5.37 0.00 -0.95 -5.08 105.19 107.90 2bj8 n GLY 26 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2bj8 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bj8 s TYR 27 N -2.00 2.94 0.00 1.61 1.51 -0.52 -4.94 117.35 115.95 2bj8 s TYR 27 Ca 0.00 1.54 0.11 0.00 -1.01 0.00 0.00 57.07 57.70 2bj8 s TYR 27 Cb 0.00 -3.40 -0.16 0.00 -0.11 0.00 0.00 41.96 38.29 2bj8 s TYR 27 CO 0.00 -1.47 1.10 0.93 -1.11 0.00 0.00 175.55 175.00 2bj8 h GLU 28 N 2.30 0.00 -3.26 -0.62 5.08 -1.97 -3.43 114.58 112.68 2bj8 h GLU 28 Ca -0.49 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2bj8 h GLU 28 Cb 1.24 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 2bj8 h GLU 28 CO 0.61 0.71 0.08 0.54 -1.00 0.00 0.00 179.01 179.94 2bj8 s ASN 29 N -6.40 -0.23 0.37 1.42 2.20 -1.26 -5.06 114.94 105.98 2bj8 s ASN 29 Ca -0.00 -0.62 0.05 0.00 -0.94 0.00 0.00 52.86 51.35 2bj8 s ASN 29 Cb 0.09 0.64 0.72 0.00 -2.00 0.00 0.00 41.25 40.69 2bj8 s ASN 29 CO 0.81 -1.19 1.97 0.03 -2.94 0.00 0.00 177.10 175.78 2bj8 h ARG 30 N 2.13 0.57 -0.62 3.55 3.08 -2.00 -2.94 114.38 118.14 2bj8 h ARG 30 Ca -0.25 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2bj8 h ARG 30 Cb 1.26 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.17 2bj8 h ARG 30 CO 0.31 0.47 0.29 0.77 -1.07 0.00 0.00 179.97 180.74 2bj8 h SER 31 N 0.56 0.79 -0.13 7.04 0.02 -1.98 -1.09 113.55 118.75 2bj8 h SER 31 Ca 0.14 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2bj8 h SER 31 Cb 0.11 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2bj8 h SER 31 CO -0.01 0.68 0.04 -0.33 -1.14 0.00 0.00 176.83 176.06 2bj8 h GLU 32 N 0.87 0.21 -0.27 3.45 5.08 -1.94 0.08 114.58 122.07 2bj8 h GLU 32 Ca 0.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2bj8 h GLU 32 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2bj8 h GLU 32 CO -0.03 0.36 0.12 0.00 -1.00 0.00 0.00 179.01 178.47 2bj8 h ALA 33 N 0.84 0.35 -0.29 3.43 0.00 -1.53 -1.69 119.26 120.36 2bj8 h ALA 33 Ca 0.04 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2bj8 h ALA 33 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bj8 h ALA 33 CO -0.00 -0.09 -0.28 0.82 0.00 0.00 0.00 179.25 179.70 2bj8 h ILE 34 N 0.29 1.28 -0.45 0.00 2.04 -1.19 -1.11 117.51 118.38 2bj8 h ILE 34 Ca 0.09 -1.36 0.04 0.00 1.00 0.00 0.00 64.86 64.63 2bj8 h ILE 34 Cb 0.13 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 2bj8 h ILE 34 CO -0.01 0.44 0.20 -0.09 0.00 0.00 0.00 178.15 178.69 2bj8 h ARG 35 N 0.50 0.39 -0.57 2.37 2.43 -0.74 0.15 114.38 118.91 2bj8 h ARG 35 Ca 0.07 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 2bj8 h ARG 35 Cb 0.74 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2bj8 h ARG 35 CO 0.06 0.26 0.06 -0.44 -1.51 0.00 0.00 179.97 178.40 2bj8 h ASP 36 N 0.40 0.89 -0.41 -3.80 3.32 -0.74 -0.99 116.42 115.09 2bj8 h ASP 36 Ca 0.20 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2bj8 h ASP 36 Cb 0.14 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2bj8 h ASP 36 CO -0.16 0.92 0.00 -0.07 -1.72 0.00 0.00 179.24 178.21 2bj8 h LEU 37 N 0.88 0.77 -0.30 1.55 3.38 -0.63 -1.87 115.31 119.10 2bj8 h LEU 37 Ca 0.17 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2bj8 h LEU 37 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2bj8 h LEU 37 CO 0.01 0.84 -0.21 0.40 0.09 0.00 0.00 178.44 179.58 2bj8 h ILE 38 N 0.75 1.30 -0.33 1.22 2.04 -0.62 -2.22 117.51 119.65 2bj8 h ILE 38 Ca 0.15 -1.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2bj8 h ILE 38 Cb 0.45 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2bj8 h ILE 38 CO 0.02 0.43 0.19 -0.09 0.00 0.00 0.00 178.15 178.70 2bj8 h ARG 39 N 0.42 0.45 -0.90 2.37 2.43 -0.98 -1.18 114.38 116.99 2bj8 h ARG 39 Ca 0.06 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 2bj8 h ARG 39 Cb 0.75 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2bj8 h ARG 39 CO 0.06 0.36 0.54 -0.44 -1.51 0.00 0.00 179.97 178.98 2bj8 h ASP 40 N 0.42 1.09 -0.44 -3.80 3.45 -1.34 -1.49 116.42 114.31 2bj8 h ASP 40 Ca 0.12 -0.07 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 2bj8 h ASP 40 Cb 0.03 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.51 2bj8 h ASP 40 CO -0.02 0.84 0.22 0.15 -1.57 0.00 0.00 179.24 178.86 2bj8 h PHE 41 N 1.25 0.62 -0.55 4.55 3.57 -1.00 -1.09 116.94 124.30 2bj8 h PHE 41 Ca 0.32 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 2bj8 h PHE 41 Cb -0.04 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 2bj8 h PHE 41 CO 0.01 0.49 0.30 0.82 -2.23 0.00 0.00 178.31 177.70 2bj8 h ILE 42 N 0.57 1.19 -0.34 1.41 2.04 -0.73 -1.48 117.51 120.16 2bj8 h ILE 42 Ca 0.15 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2bj8 h ILE 42 Cb 0.10 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2bj8 h ILE 42 CO -0.02 0.20 0.21 0.40 0.00 0.00 0.00 178.15 178.94 2bj8 h ILE 43 N 0.74 1.12 0.00 -0.67 2.04 -1.00 -2.13 117.51 117.60 2bj8 h ILE 43 Ca 0.19 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2bj8 h ILE 43 Cb 0.06 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2bj8 h ILE 43 CO -0.03 0.12 -0.26 0.03 0.00 0.00 0.00 178.15 178.00 2bj8 h ARG 44 N 0.44 0.00 -0.64 2.37 3.08 -1.02 -2.49 114.38 116.13 2bj8 h ARG 44 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bj8 h ARG 44 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2bj8 h ARG 44 CO -0.02 0.26 0.00 0.72 -1.07 0.00 0.00 179.97 179.86 2bj8 n HIS 45 N -4.12 1.52 -0.01 3.04 8.25 -0.57 -3.94 115.22 119.40 2bj8 n HIS 45 Ca -0.02 -0.56 0.01 0.00 -0.26 0.00 0.00 57.72 56.89 2bj8 n HIS 45 Cb 0.32 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 2bj8 n HIS 45 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2bj8 n GLU 46 N 0.74 0.97 -1.70 -0.41 1.02 -0.84 -5.01 120.64 115.42 2bj8 n GLU 46 Ca 0.23 -0.03 -0.44 0.00 -0.02 0.00 0.00 57.16 56.90 2bj8 n GLU 46 Cb 0.92 -1.11 -0.02 0.00 -0.02 0.00 0.00 31.44 31.20 2bj8 n GLU 46 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2bj8 n TRP 47 N -1.80 2.39 -2.76 -0.32 8.01 -1.18 -4.96 117.44 116.83 2bj8 n TRP 47 Ca -0.03 0.37 -0.31 0.00 -1.31 0.00 0.00 57.50 56.23 2bj8 n TRP 47 Cb 0.26 -2.51 -0.04 0.00 -2.01 0.00 0.00 31.31 27.02 2bj8 n TRP 47 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 2bj8 s GLU 48 N -0.46 3.87 -0.00 -0.99 2.56 -1.26 -5.01 118.70 117.41 2bj8 s GLU 48 Ca 0.67 0.65 0.00 0.00 0.00 0.00 0.00 54.97 56.29 2bj8 s GLU 48 Cb -0.60 -2.32 -0.01 0.00 2.00 0.00 0.00 34.13 33.21 2bj8 s GLU 48 CO 0.49 -0.08 0.00 1.33 -0.56 0.00 0.00 175.26 176.45 2bj8 n VAL 49 N -1.25 0.01 -0.46 3.70 0.24 -1.26 -5.14 118.33 114.18 2bj8 n VAL 49 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2bj8 n VAL 49 Cb 0.54 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2bj8 n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bj8 n GLY 50 N 2.76 0.28 0.19 7.63 0.00 -1.26 -4.70 105.19 110.09 2bj8 n GLY 50 Ca -0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2bj8 n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bj8 n ASN 51 N 0.22 0.00 -3.41 1.61 4.05 -1.26 -3.83 115.26 112.64 2bj8 n ASN 51 Ca 0.00 -1.18 -0.29 0.00 0.45 0.00 0.00 54.58 53.56 2bj8 n ASN 51 Cb 0.00 -0.04 0.26 0.00 1.23 0.00 0.00 39.78 41.23 2bj8 n ASN 51 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2bj8 n GLU 52 N 0.00 -3.70 -3.09 1.20 1.02 -1.26 -4.27 120.64 110.53 2bj8 n GLU 52 Ca 0.00 -1.59 -0.40 0.00 -0.02 0.00 0.00 57.16 55.15 2bj8 n GLU 52 Cb 0.54 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.23 2bj8 n GLU 52 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2bj8 s GLU 53 N -5.26 4.32 0.15 3.49 0.41 -1.26 -1.10 118.70 119.46 2bj8 s GLU 53 Ca 0.67 0.74 0.05 0.00 -0.41 0.00 0.00 54.97 56.02 2bj8 s GLU 53 Cb -0.08 -3.51 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 2bj8 s GLU 53 CO 0.53 -0.08 -0.11 0.14 -0.49 0.00 0.00 175.26 175.25 2bj8 s VAL 54 N 1.33 1.25 -0.07 2.63 -7.23 0.77 -4.70 120.40 114.39 2bj8 s VAL 54 Ca 0.33 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.47 2bj8 s VAL 54 Cb -0.16 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2bj8 s VAL 54 CO 0.13 -0.71 -0.17 0.00 -0.31 0.00 0.00 175.10 174.04 2bj8 s ALA 55 N -3.22 1.61 0.16 1.32 0.00 -0.58 -1.12 121.76 119.94 2bj8 s ALA 55 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2bj8 s ALA 55 Cb 0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 2bj8 s ALA 55 CO 0.02 0.23 0.20 0.41 0.00 0.00 0.00 175.76 176.61 2bj8 n GLY 56 N 3.48 2.89 2.92 0.00 0.00 0.15 -2.03 105.19 112.60 2bj8 n GLY 56 Ca -0.20 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 2bj8 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bj8 s THR 57 N -2.61 0.12 -0.21 2.61 -4.23 -0.54 -0.74 115.64 110.04 2bj8 s THR 57 Ca 0.15 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.34 2bj8 s THR 57 Cb -0.00 -0.16 0.04 0.00 1.34 0.00 0.00 72.50 73.72 2bj8 s THR 57 CO 0.11 -0.13 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.29 2bj8 s ILE 58 N -0.47 1.90 -0.19 2.99 1.01 0.10 -1.18 121.20 125.36 2bj8 s ILE 58 Ca -0.04 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.38 2bj8 s ILE 58 Cb -0.03 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 2bj8 s ILE 58 CO -0.00 0.25 0.13 -0.89 0.00 0.00 0.00 174.94 174.42 2bj8 s THR 59 N 1.29 5.37 0.03 2.92 2.01 -0.36 -0.39 115.64 126.51 2bj8 s THR 59 Ca -0.01 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 2bj8 s THR 59 Cb -0.16 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 2bj8 s THR 59 CO -0.09 0.46 0.02 0.27 -0.69 0.00 0.00 174.62 174.59 2bj8 s ILE 60 N 0.20 0.14 -0.01 1.82 -4.36 0.15 -1.19 121.20 117.94 2bj8 s ILE 60 Ca 0.08 -1.11 0.03 0.00 -0.26 0.00 0.00 60.65 59.39 2bj8 s ILE 60 Cb -0.11 -0.68 -0.01 0.00 1.25 0.00 0.00 42.46 42.91 2bj8 s ILE 60 CO -0.01 -0.61 -0.11 -0.69 0.24 0.00 0.00 174.94 173.75 2bj8 s VAL 61 N -2.23 0.90 0.17 8.37 1.01 -0.48 -0.52 120.40 127.62 2bj8 s VAL 61 Ca -0.09 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 2bj8 s VAL 61 Cb -0.04 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.65 2bj8 s VAL 61 CO -0.03 0.26 0.78 -0.72 0.00 0.00 0.00 175.10 175.38 2bj8 s TYR 62 N -0.22 -0.30 -0.36 5.22 -0.85 -0.62 -1.09 117.35 119.13 2bj8 s TYR 62 Ca 0.04 -0.00 -0.17 0.00 -0.52 0.00 0.00 57.07 56.41 2bj8 s TYR 62 Cb -0.05 0.62 -0.00 0.00 0.38 0.00 0.00 41.96 42.91 2bj8 s TYR 62 CO -0.00 -0.92 0.45 1.21 -1.52 0.00 0.00 175.55 174.77 2bj8 s ASN 63 N -2.80 6.24 0.01 -0.18 3.84 -1.26 -0.16 114.94 120.62 2bj8 s ASN 63 Ca 0.08 -0.22 0.11 0.00 0.21 0.00 0.00 52.86 53.04 2bj8 s ASN 63 Cb -0.03 -2.24 0.48 0.00 -0.55 0.00 0.00 41.25 38.92 2bj8 s ASN 63 CO -0.02 -0.45 1.36 0.00 -2.79 0.00 0.00 177.10 175.19 2bj8 n HIS 64 N 5.60 0.02 1.10 0.43 1.44 -0.61 -1.86 115.22 121.34 2bj8 n HIS 64 Ca -0.07 0.01 0.12 0.00 -2.01 0.00 0.00 57.72 55.77 2bj8 n HIS 64 Cb 0.49 -0.52 0.17 0.00 0.12 0.00 0.00 29.99 30.25 2bj8 n HIS 64 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2bj8 n ASP 65 N -1.52 1.26 -4.75 4.39 8.00 -1.26 -4.67 116.55 118.00 2bj8 n ASP 65 Ca 0.03 -1.01 -0.40 0.00 0.71 0.00 0.00 54.79 54.12 2bj8 n ASP 65 Cb 0.13 0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 2bj8 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2bj8 s GLU 66 N -2.64 4.77 0.00 -1.24 2.12 -0.78 -4.93 118.70 116.00 2bj8 s GLU 66 Ca 0.18 1.42 0.00 0.00 0.36 0.00 0.00 54.97 56.94 2bj8 s GLU 66 Cb 0.18 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.27 2bj8 s GLU 66 CO 0.61 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 176.18 2bj8 n GLY 67 N 1.73 1.54 1.00 -1.50 0.00 -1.26 -3.06 105.19 103.65 2bj8 n GLY 67 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2bj8 n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bj8 n ASP 68 N 0.70 1.89 -0.27 1.61 5.75 -1.26 -4.84 116.55 120.13 2bj8 n ASP 68 Ca 0.00 -3.44 0.01 0.00 -0.01 0.00 0.00 54.79 51.36 2bj8 n ASP 68 Cb 0.00 -0.46 0.14 0.00 -1.03 0.00 0.00 41.12 39.77 2bj8 n ASP 68 CO 0.00 0.00 0.00 1.62 -0.11 0.00 0.00 177.20 178.71 2bj8 h VAL 69 N 2.52 0.94 -0.72 2.12 3.04 -1.75 0.05 116.25 122.45 2bj8 h VAL 69 Ca -0.01 -0.26 0.02 0.00 -1.01 0.00 0.00 66.70 65.43 2bj8 h VAL 69 Cb 1.25 0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 30.59 2bj8 h VAL 69 CO 0.10 0.14 0.47 0.58 -1.01 0.00 0.00 177.57 177.85 2bj8 h VAL 70 N 0.77 1.16 -0.16 1.51 2.07 -1.83 0.30 116.25 120.06 2bj8 h VAL 70 Ca 0.36 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 2bj8 h VAL 70 Cb 0.29 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2bj8 h VAL 70 CO -0.22 0.17 -0.31 0.50 0.02 0.00 0.00 177.57 177.73 2bj8 h LYS 71 N 0.94 0.50 -0.20 1.57 3.64 -1.81 -2.72 116.57 118.49 2bj8 h LYS 71 Ca 0.27 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2bj8 h LYS 71 Cb -0.07 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2bj8 h LYS 71 CO -0.07 0.92 0.12 0.00 -2.27 0.00 0.00 179.45 178.15 2bj8 h ALA 72 N 0.57 0.25 -0.42 5.00 0.00 -0.77 -0.93 119.26 122.97 2bj8 h ALA 72 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2bj8 h ALA 72 Cb 0.90 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2bj8 h ALA 72 CO 0.07 -0.24 0.05 -0.07 0.00 0.00 0.00 179.25 179.06 2bj8 h LEU 73 N 0.25 -0.06 -0.07 0.00 3.38 -0.42 -0.20 115.31 118.17 2bj8 h LEU 73 Ca 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2bj8 h LEU 73 Cb 0.01 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2bj8 h LEU 73 CO -0.01 0.00 0.02 -0.07 0.09 0.00 0.00 178.44 178.47 2bj8 h LEU 74 N 0.17 0.11 -0.70 1.67 3.38 -1.28 -1.11 115.31 117.55 2bj8 h LEU 74 Ca 0.21 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2bj8 h LEU 74 Cb 0.27 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2bj8 h LEU 74 CO -0.30 0.31 0.43 0.44 0.09 0.00 0.00 178.44 179.41 2bj8 h ASP 75 N -0.09 0.69 -0.44 -0.43 3.45 -0.94 0.18 116.42 118.83 2bj8 h ASP 75 Ca 0.02 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 2bj8 h ASP 75 Cb 0.24 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 2bj8 h ASP 75 CO 0.00 0.47 0.14 0.25 -1.57 0.00 0.00 179.24 178.53 2bj8 h LEU 76 N 0.82 0.64 -0.60 1.55 5.85 -0.94 -2.80 115.31 119.83 2bj8 h LEU 76 Ca 0.29 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2bj8 h LEU 76 Cb 0.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2bj8 h LEU 76 CO -0.13 0.67 -0.09 1.56 -0.34 0.00 0.00 178.44 180.12 2bj8 h GLN 77 N 0.57 1.02 0.00 1.25 4.20 -0.69 -2.67 115.11 118.79 2bj8 h GLN 77 Ca 0.14 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2bj8 h GLN 77 Cb 0.26 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2bj8 h GLN 77 CO -0.00 1.05 0.00 0.72 -0.67 0.00 0.00 178.83 179.92 2bj8 n HIS 78 N -4.15 0.00 0.12 2.96 8.25 0.58 -1.90 115.22 121.07 2bj8 n HIS 78 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 2bj8 n HIS 78 Cb 0.39 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 31.06 2bj8 n HIS 78 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2bj8 h GLU 79 N 0.00 0.00 -1.83 -0.41 5.08 -1.20 -3.35 114.58 112.86 2bj8 h GLU 79 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 2bj8 h GLU 79 Cb 0.22 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.09 2bj8 h GLU 79 CO 0.00 0.40 -0.26 0.66 -1.00 0.00 0.00 179.01 178.81 2bj8 n TYR 80 N -3.12 3.44 -0.12 4.33 4.02 -0.80 -4.84 117.16 120.08 2bj8 n TYR 80 Ca -0.00 -3.14 0.16 0.00 -0.01 0.00 0.00 57.90 54.91 2bj8 n TYR 80 Cb 0.74 -0.45 0.55 0.00 -0.02 0.00 0.00 39.34 40.16 2bj8 n TYR 80 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 2bj8 h LEU 81 N 2.86 0.29 -0.82 7.72 3.38 -1.71 -1.81 115.31 125.23 2bj8 h LEU 81 Ca 0.33 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 2bj8 h LEU 81 Cb 0.62 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2bj8 h LEU 81 CO 0.97 0.16 -0.26 0.44 0.09 0.00 0.00 178.44 179.84 2bj8 h ASP 82 N 0.32 0.61 0.28 -0.43 3.32 -1.92 -3.32 116.42 115.28 2bj8 h ASP 82 Ca 0.33 -0.22 -0.33 0.00 0.02 0.00 0.00 57.03 56.83 2bj8 h ASP 82 Cb 0.85 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 2bj8 h ASP 82 CO -0.09 0.85 -1.96 -0.62 -1.72 0.00 0.00 179.24 175.70 2bj8 n GLU 83 N -4.11 0.67 -2.90 3.56 4.71 -0.80 -4.85 120.64 116.93 2bj8 n GLU 83 Ca -0.00 0.21 -0.42 0.00 -0.01 0.00 0.00 57.16 56.94 2bj8 n GLU 83 Cb 0.43 -1.70 -0.05 0.00 -1.01 0.00 0.00 31.44 29.11 2bj8 n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2bj8 s ILE 84 N -2.56 4.68 -0.10 -3.67 1.01 -0.75 -1.12 121.20 118.69 2bj8 s ILE 84 Ca -0.11 1.00 -0.15 0.00 0.00 0.00 0.00 60.65 61.39 2bj8 s ILE 84 Cb 0.07 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 2bj8 s ILE 84 CO 0.80 -0.48 0.48 0.40 0.00 0.00 0.00 174.94 176.14 2bj8 h ILE 85 N 5.78 0.82 -2.35 2.92 2.04 -1.43 -3.45 117.51 121.83 2bj8 h ILE 85 Ca -0.24 -1.49 0.18 0.00 1.00 0.00 0.00 64.86 64.30 2bj8 h ILE 85 Cb 1.09 1.51 -0.08 0.00 -0.74 0.00 0.00 36.82 38.60 2bj8 h ILE 85 CO 0.94 0.26 0.48 -0.44 0.00 0.00 0.00 178.15 179.40 2bj8 s SER 86 N -5.75 -0.17 0.00 1.72 0.01 -1.24 -5.04 113.70 103.23 2bj8 s SER 86 Ca -0.10 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2bj8 s SER 86 Cb -0.01 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 2bj8 s SER 86 CO 0.35 -0.91 0.01 -0.94 0.41 0.00 0.00 173.24 172.16 2bj8 s SER 87 N -2.96 0.07 -0.10 2.44 1.04 -1.26 -1.17 113.70 111.75 2bj8 s SER 87 Ca 0.13 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 2bj8 s SER 87 Cb -0.01 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 2bj8 s SER 87 CO 0.03 -0.13 -0.01 -0.22 0.98 0.00 0.00 173.24 173.88 2bj8 s LEU 88 N -0.58 3.48 -0.05 2.42 2.96 0.31 -4.94 118.68 122.30 2bj8 s LEU 88 Ca -0.06 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2bj8 s LEU 88 Cb -0.04 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.85 2bj8 s LEU 88 CO -0.00 0.32 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.92 2bj8 s HIS 89 N -0.53 1.52 -0.13 5.38 5.65 -1.26 -0.62 115.29 125.30 2bj8 s HIS 89 Ca 0.09 -0.47 0.00 0.00 0.25 0.00 0.00 55.06 54.93 2bj8 s HIS 89 Cb -0.12 -1.06 0.02 0.00 -1.18 0.00 0.00 32.58 30.25 2bj8 s HIS 89 CO 0.02 -0.19 -0.12 0.08 -0.65 0.00 0.00 174.74 173.88 2bj8 s VAL 90 N 0.23 1.37 -0.52 0.89 1.01 0.04 -5.00 120.40 118.43 2bj8 s VAL 90 Ca -0.07 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 2bj8 s VAL 90 Cb -0.12 -1.31 0.03 0.00 0.00 0.00 0.00 36.38 34.98 2bj8 s VAL 90 CO 0.02 0.42 1.14 -1.00 0.00 0.00 0.00 175.10 175.69 2bj8 s HIS 91 N 1.53 2.74 -0.04 5.22 3.76 -1.26 -1.33 115.29 125.91 2bj8 s HIS 91 Ca 0.04 0.55 -0.25 0.00 -0.15 0.00 0.00 55.06 55.25 2bj8 s HIS 91 Cb -0.13 -4.43 -0.21 0.00 1.11 0.00 0.00 32.58 28.92 2bj8 s HIS 91 CO -0.09 -1.39 1.15 0.52 -0.85 0.00 0.00 174.74 174.08 2bj8 h MET 92 N 9.35 0.10 0.00 1.40 2.86 -1.43 -3.49 114.93 123.72 2bj8 h MET 92 Ca -0.24 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.30 2bj8 h MET 92 Cb 1.06 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 2bj8 h MET 92 CO 1.14 0.71 0.01 -0.40 1.06 0.00 0.00 176.91 179.43 2bj8 n ASP 93 N -4.68 -0.25 -0.36 1.22 5.68 -1.15 -4.99 116.55 112.02 2bj8 n ASP 93 Ca -0.09 -1.24 0.26 0.00 -0.50 0.00 0.00 54.79 53.22 2bj8 n ASP 93 Cb 0.37 0.44 0.53 0.00 -1.14 0.00 0.00 41.12 41.31 2bj8 n ASP 93 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2bj8 h GLU 94 N 0.00 0.32 0.00 0.11 4.81 -2.04 -3.24 114.58 114.54 2bj8 h GLU 94 Ca -0.04 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2bj8 h GLU 94 Cb 0.17 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2bj8 h GLU 94 CO 0.05 0.21 -1.36 0.72 -0.73 0.00 0.00 179.01 177.91 2bj8 n HIS 95 N -4.74 0.00 -3.25 0.92 8.25 -1.26 -5.00 115.22 110.14 2bj8 n HIS 95 Ca 0.29 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.37 2bj8 n HIS 95 Cb 1.02 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.81 2bj8 n HIS 95 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2bj8 s ASN 96 N -3.84 7.04 0.04 0.41 0.01 -1.22 -1.58 114.94 115.80 2bj8 s ASN 96 Ca -0.04 1.23 0.07 0.00 -0.71 0.00 0.00 52.86 53.41 2bj8 s ASN 96 Cb 0.02 -2.36 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 2bj8 s ASN 96 CO 0.20 0.21 -0.19 0.00 -1.51 0.00 0.00 177.10 175.82 2bj8 s LEU 98 N -1.18 2.42 0.01 0.00 0.20 -0.44 -1.59 118.68 118.10 2bj8 s LEU 98 Ca 0.06 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.51 2bj8 s LEU 98 Cb -0.08 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.17 2bj8 s LEU 98 CO 0.02 0.23 -0.09 -0.70 -0.29 0.00 0.00 176.35 175.52 2bj8 s GLU 99 N -0.05 0.68 -0.16 1.98 2.12 0.32 -0.78 118.70 122.82 2bj8 s GLU 99 Ca -0.05 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2bj8 s GLU 99 Cb -0.14 -0.63 0.03 0.00 0.26 0.00 0.00 34.13 33.65 2bj8 s GLU 99 CO 0.04 0.17 -0.09 0.08 -0.54 0.00 0.00 175.26 174.92 2bj8 s VAL 100 N -0.44 1.34 -0.24 3.70 1.01 0.21 -0.68 120.40 125.29 2bj8 s VAL 100 Ca 0.01 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2bj8 s VAL 100 Cb -0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 2bj8 s VAL 100 CO 0.00 0.26 0.13 -0.63 0.00 0.00 0.00 175.10 174.86 2bj8 s ILE 101 N 1.55 5.04 -0.14 2.22 1.01 0.47 -0.53 121.20 130.83 2bj8 s ILE 101 Ca 0.02 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 2bj8 s ILE 101 Cb -0.14 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2bj8 s ILE 101 CO -0.09 0.34 0.38 -0.69 0.00 0.00 0.00 174.94 174.88 2bj8 s VAL 102 N 1.24 5.25 0.14 2.92 1.01 -0.32 0.01 120.40 130.65 2bj8 s VAL 102 Ca 0.06 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.83 2bj8 s VAL 102 Cb -0.14 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2bj8 s VAL 102 CO 0.05 0.35 -0.10 0.68 0.00 0.00 0.00 175.10 176.08 2bj8 s VAL 103 N 0.59 1.14 -0.12 2.92 -7.23 0.08 -1.18 120.40 116.60 2bj8 s VAL 103 Ca 0.21 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 2bj8 s VAL 103 Cb -0.14 -1.74 0.03 0.00 0.56 0.00 0.00 36.38 35.10 2bj8 s VAL 103 CO 0.07 -0.69 0.32 -1.59 -0.31 0.00 0.00 175.10 172.90 2bj8 s LYS 104 N -3.49 0.37 0.00 4.82 -2.85 -0.27 0.31 119.74 118.62 2bj8 s LYS 104 Ca 0.14 0.47 0.00 0.00 -1.00 0.00 0.00 55.97 55.58 2bj8 s LYS 104 Cb 0.01 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 2bj8 s LYS 104 CO 0.01 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 175.81 2bj8 n GLY 105 N 3.01 -0.50 3.71 0.59 0.00 -0.27 -4.40 105.19 107.33 2bj8 n GLY 105 Ca -0.14 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2bj8 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bj8 s GLU 106 N -2.00 4.45 0.33 1.61 2.02 -1.26 -0.16 118.70 123.68 2bj8 s GLU 106 Ca 0.00 1.76 0.09 0.00 0.02 0.00 0.00 54.97 56.84 2bj8 s GLU 106 Cb 0.00 -3.34 0.98 0.00 0.10 0.00 0.00 34.13 31.86 2bj8 s GLU 106 CO 0.00 -0.23 1.60 0.00 0.02 0.00 0.00 175.26 176.65 2bj8 h ALA 107 N 6.66 1.60 -0.10 5.21 0.00 -1.29 0.22 119.26 131.55 2bj8 h ALA 107 Ca -0.42 0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2bj8 h ALA 107 Cb 1.21 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 2bj8 h ALA 107 CO 0.80 -0.69 -0.04 -0.22 0.00 0.00 0.00 179.25 179.10 2bj8 h LYS 108 N 0.07 -0.03 -0.15 0.00 1.63 -1.85 -1.14 116.57 115.10 2bj8 h LYS 108 Ca 0.69 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.33 2bj8 h LYS 108 Cb 1.60 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.23 2bj8 h LYS 108 CO -0.80 -0.02 -0.56 -0.22 -3.45 0.00 0.00 179.45 174.40 2bj8 h LYS 109 N -0.03 0.46 -0.19 1.90 3.64 -1.39 -2.66 116.57 118.30 2bj8 h LYS 109 Ca 0.06 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2bj8 h LYS 109 Cb 0.12 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2bj8 h LYS 109 CO -0.12 0.90 0.09 0.82 -2.27 0.00 0.00 179.45 178.87 2bj8 h ILE 110 N 0.35 1.14 -0.61 2.00 1.08 -1.00 -0.19 117.51 120.28 2bj8 h ILE 110 Ca 0.00 -0.40 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2bj8 h ILE 110 Cb 1.09 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 2bj8 h ILE 110 CO 0.10 0.13 0.34 0.50 -0.69 0.00 0.00 178.15 178.54 2bj8 h LYS 111 N 0.18 0.63 -0.67 2.37 1.63 -1.21 0.75 116.57 120.25 2bj8 h LYS 111 Ca 0.07 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 2bj8 h LYS 111 Cb 0.13 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2bj8 h LYS 111 CO -0.01 0.42 0.30 1.98 -3.45 0.00 0.00 179.45 178.69 2bj8 h MET 112 N 0.65 0.98 -0.27 1.90 4.05 -1.17 -0.66 114.93 120.42 2bj8 h MET 112 Ca 0.27 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 2bj8 h MET 112 Cb 0.13 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2bj8 h MET 112 CO -0.15 0.80 0.05 0.82 0.23 0.00 0.00 176.91 178.66 2bj8 h ILE 113 N 0.94 1.22 -0.87 1.77 2.04 -0.33 -2.45 117.51 119.84 2bj8 h ILE 113 Ca 0.23 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2bj8 h ILE 113 Cb 0.15 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2bj8 h ILE 113 CO -0.02 0.25 0.57 0.00 0.00 0.00 0.00 178.15 178.94 2bj8 h ALA 114 N 0.88 1.13 -0.80 1.87 0.00 -0.62 -1.90 119.26 119.82 2bj8 h ALA 114 Ca 0.08 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bj8 h ALA 114 Cb 0.32 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2bj8 h ALA 114 CO 0.00 0.45 0.52 -0.44 0.00 0.00 0.00 179.25 179.78 2bj8 h ASP 115 N 1.13 0.92 -0.54 0.00 3.32 -0.93 0.11 116.42 120.43 2bj8 h ASP 115 Ca 0.34 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2bj8 h ASP 115 Cb -0.04 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2bj8 h ASP 115 CO -0.10 0.67 -0.06 0.11 -1.72 0.00 0.00 179.24 178.14 2bj8 h LYS 116 N 1.08 1.01 0.11 3.56 1.57 -0.95 -2.05 116.57 120.90 2bj8 h LYS 116 Ca 0.29 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2bj8 h LYS 116 Cb -0.11 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2bj8 h LYS 116 CO -0.06 1.02 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.72 2bj8 h LEU 117 N 0.91 -0.12 -2.02 2.94 3.38 -0.89 -2.97 115.31 116.54 2bj8 h LEU 117 Ca 0.15 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2bj8 h LEU 117 Cb 0.61 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2bj8 h LEU 117 CO 0.04 0.27 0.00 -0.07 0.09 0.00 0.00 178.44 178.77 2bj8 h LEU 118 N -0.53 0.00 -2.26 1.67 3.38 -0.81 -2.43 115.31 114.34 2bj8 h LEU 118 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2bj8 h LEU 118 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2bj8 h LEU 118 CO 0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 2bj8 n SER 119 N -2.93 3.27 -4.76 -0.43 3.41 -0.77 -4.92 113.62 106.49 2bj8 n SER 119 Ca -0.01 -1.95 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 2bj8 n SER 119 Cb 0.18 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2bj8 n SER 119 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2bj8 s LEU 120 N -1.46 4.44 0.25 1.04 1.43 -0.92 -4.95 118.68 118.53 2bj8 s LEU 120 Ca 0.34 2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 55.70 2bj8 s LEU 120 Cb 0.21 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 2bj8 s LEU 120 CO 0.29 -0.48 1.44 -0.75 0.23 0.00 0.00 176.35 177.09 2bj8 s LYS 121 N -1.31 4.26 0.00 1.70 2.20 -1.26 -2.32 119.74 123.01 2bj8 s LYS 121 Ca 0.50 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 2bj8 s LYS 121 Cb -0.38 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2bj8 s LYS 121 CO 0.47 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.45 2bj8 n GLY 122 N 2.13 2.40 3.62 5.54 0.00 -1.26 -4.41 105.19 113.21 2bj8 n GLY 122 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2bj8 n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bj8 s VAL 123 N -2.37 4.34 0.23 1.61 1.01 -0.98 -4.25 120.40 119.99 2bj8 s VAL 123 Ca 0.00 1.47 0.05 0.00 0.00 0.00 0.00 61.98 63.50 2bj8 s VAL 123 Cb 0.00 -4.49 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 2bj8 s VAL 123 CO 0.00 -0.73 1.53 0.11 0.00 0.00 0.00 175.10 176.01 2bj8 h LYS 124 N 8.71 0.17 -2.13 2.72 1.57 -1.45 -3.48 116.57 122.68 2bj8 h LYS 124 Ca -0.22 -0.13 0.13 0.00 -1.87 0.00 0.00 60.65 58.56 2bj8 h LYS 124 Cb 1.06 0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.24 2bj8 h LYS 124 CO 1.08 0.78 0.54 -1.58 -0.57 0.00 0.00 179.45 179.70 2bj8 s HIS 125 N -3.59 -0.32 0.00 -1.35 5.04 -1.20 -5.01 115.29 108.87 2bj8 s HIS 125 Ca -0.03 0.21 0.00 0.00 -1.54 0.00 0.00 55.06 53.70 2bj8 s HIS 125 Cb 0.12 0.53 0.00 0.00 0.04 0.00 0.00 32.58 33.27 2bj8 s HIS 125 CO 0.80 -0.49 0.00 0.41 -2.34 0.00 0.00 174.74 173.12 2bj8 n GLY 126 N -0.18 0.97 3.19 1.59 0.00 -1.26 -1.38 105.19 108.13 2bj8 n GLY 126 Ca -0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2bj8 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bj8 s LYS 127 N -2.00 0.50 -0.01 1.61 -0.14 -0.33 -4.98 119.74 114.39 2bj8 s LYS 127 Ca 0.00 -0.01 -0.01 0.00 -1.36 0.00 0.00 55.97 54.59 2bj8 s LYS 127 Cb 0.00 0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 36.34 2bj8 s LYS 127 CO 0.00 -0.11 0.10 -1.17 -0.76 0.00 0.00 175.35 173.40 2bj8 s LEU 128 N -0.78 3.98 -0.14 3.17 2.96 -1.26 -1.22 118.68 125.39 2bj8 s LEU 128 Ca -0.09 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2bj8 s LEU 128 Cb -0.04 -2.30 0.04 0.00 0.50 0.00 0.00 46.19 44.39 2bj8 s LEU 128 CO 0.02 0.28 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.63 2bj8 s VAL 129 N -1.20 0.70 -0.03 1.68 1.01 -0.32 -5.00 120.40 117.24 2bj8 s VAL 129 Ca 0.23 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2bj8 s VAL 129 Cb -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 2bj8 s VAL 129 CO 0.14 0.07 -0.11 -0.04 0.00 0.00 0.00 175.10 175.16 2bj8 s MET 130 N 1.81 2.54 0.09 2.72 -1.94 -1.26 -1.47 119.30 121.78 2bj8 s MET 130 Ca 0.02 -0.69 -0.13 0.00 -1.71 0.00 0.00 55.69 53.18 2bj8 s MET 130 Cb -0.15 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.26 2bj8 s MET 130 CO -0.07 0.62 0.30 -0.08 -0.01 0.00 0.00 175.02 175.78 2bj8 s THR 131 N -0.84 0.10 -0.29 2.05 -1.32 -0.86 -5.00 115.64 109.48 2bj8 s THR 131 Ca 0.13 -0.83 -0.10 0.00 -1.21 0.00 0.00 61.69 59.69 2bj8 s THR 131 Cb -0.11 -1.18 -0.03 0.00 -1.51 0.00 0.00 72.50 69.68 2bj8 s THR 131 CO 0.03 -0.46 0.16 -0.55 -2.21 0.00 0.00 174.62 171.60 2bj8 s SER 132 N -2.65 5.72 0.00 8.08 0.15 -1.26 -1.53 113.70 122.22 2bj8 s SER 132 Ca 0.02 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2bj8 s SER 132 Cb 0.02 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 2bj8 s SER 132 CO -0.10 -0.11 0.30 0.35 1.20 0.00 0.00 173.24 174.88 2bj8 n THR 133 N 5.02 0.00 0.00 6.45 -2.24 -1.26 -4.59 114.28 117.66 2bj8 n THR 133 Ca -0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2bj8 n THR 133 Cb 0.51 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2bj8 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bj8 n GLY 134 N -0.78 -1.07 3.89 3.38 0.00 -1.26 -5.03 105.19 104.33 2bj8 n GLY 134 Ca 0.00 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2bj8 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bj8 s LYS 135 N 0.00 3.71 1.06 1.61 1.02 -1.26 -5.05 119.74 120.83 2bj8 s LYS 135 Ca 0.00 0.23 -0.21 0.00 0.02 0.00 0.00 55.97 56.02 2bj8 s LYS 135 Cb 0.00 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.78 2bj8 s LYS 135 CO 0.00 0.10 -0.45 -1.91 -0.92 0.00 0.00 175.35 172.17 2bj8 n GLU 136 N -1.07 -0.93 0.00 1.68 2.13 -1.26 -5.05 120.64 116.14 2bj8 n GLU 136 Ca 0.00 -0.26 0.00 0.00 0.66 0.00 0.00 57.16 57.56 2bj8 n GLU 136 Cb 0.54 -1.48 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2bj8 n GLU 136 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19