#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bj1 s LEU 2 N 0.00 4.47 0.75 -3.43 1.43 -1.26 -5.05 118.68 115.59 3bj1 s LEU 2 Ca 0.00 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.56 3bj1 s LEU 2 Cb 0.00 -3.44 0.09 0.00 0.03 0.00 0.00 46.19 42.87 3bj1 s LEU 2 CO 0.00 0.12 1.08 -0.94 0.23 0.00 0.00 176.35 176.84 3bj1 s SER 3 N -1.38 4.53 0.24 2.29 1.04 -1.26 -4.89 113.70 114.26 3bj1 s SER 3 Ca 0.39 0.42 -0.04 0.00 0.48 0.00 0.00 55.95 57.20 3bj1 s SER 3 Cb -0.20 -0.95 0.26 0.00 0.10 0.00 0.00 66.02 65.23 3bj1 s SER 3 CO 0.23 -1.80 1.73 0.28 0.98 0.00 0.00 173.24 174.66 3bj1 h SER 4 N -0.79 0.85 -0.56 7.02 0.02 -1.99 -0.83 113.55 117.27 3bj1 h SER 4 Ca -0.44 -0.21 0.09 0.00 -0.84 0.00 0.00 61.79 60.39 3bj1 h SER 4 Cb 1.31 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 3bj1 h SER 4 CO 0.57 0.90 0.16 0.50 -1.14 0.00 0.00 176.83 177.82 3bj1 h LYS 5 N 0.82 0.30 -0.48 3.45 3.64 -1.99 -0.21 116.57 122.09 3bj1 h LYS 5 Ca 0.16 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3bj1 h LYS 5 Cb 0.47 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3bj1 h LYS 5 CO 0.02 0.20 0.26 -0.44 -2.27 0.00 0.00 179.45 177.22 3bj1 h ASP 6 N 0.31 0.61 -0.54 4.20 3.32 -1.75 -1.64 116.42 120.92 3bj1 h ASP 6 Ca 0.29 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3bj1 h ASP 6 Cb 0.38 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 3bj1 h ASP 6 CO -0.33 0.54 0.28 0.11 -1.72 0.00 0.00 179.24 178.12 3bj1 h LYS 7 N 0.64 0.76 -0.45 3.56 1.57 -0.86 -1.39 116.57 120.40 3bj1 h LYS 7 Ca 0.17 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3bj1 h LYS 7 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3bj1 h LYS 7 CO -0.03 0.60 0.25 -0.44 -0.57 0.00 0.00 179.45 179.27 3bj1 h ASP 8 N 0.73 0.39 -0.68 0.86 3.32 -0.90 -0.38 116.42 119.75 3bj1 h ASP 8 Ca 0.19 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3bj1 h ASP 8 Cb 0.07 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3bj1 h ASP 8 CO -0.03 0.27 0.45 0.00 -1.72 0.00 0.00 179.24 178.22 3bj1 h ALA 9 N 1.22 0.87 -0.19 3.45 0.00 -0.89 0.15 119.26 123.87 3bj1 h ALA 9 Ca 0.19 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3bj1 h ALA 9 Cb 0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3bj1 h ALA 9 CO -0.11 0.28 -0.24 0.28 0.00 0.00 0.00 179.25 179.46 3bj1 h VAL 10 N 0.92 1.33 -0.95 0.00 2.07 -1.02 -1.44 116.25 117.16 3bj1 h VAL 10 Ca 0.25 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3bj1 h VAL 10 Cb -0.10 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 3bj1 h VAL 10 CO -0.06 0.44 0.59 0.11 0.02 0.00 0.00 177.57 178.67 3bj1 h LYS 11 N 0.17 1.28 -0.49 1.57 1.57 -0.84 -0.28 116.57 119.55 3bj1 h LYS 11 Ca 0.02 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3bj1 h LYS 11 Cb 0.81 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3bj1 h LYS 11 CO 0.06 0.88 -0.03 0.00 -0.57 0.00 0.00 179.45 179.79 3bj1 h ALA 12 N 1.34 0.67 -0.46 3.86 0.00 -0.84 -1.08 119.26 122.76 3bj1 h ALA 12 Ca 0.34 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3bj1 h ALA 12 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3bj1 h ALA 12 CO -0.07 0.51 0.18 1.25 0.00 0.00 0.00 179.25 181.12 3bj1 h LEU 13 N 0.75 0.64 -0.83 0.00 5.85 -0.96 -2.34 115.31 118.43 3bj1 h LEU 13 Ca 0.14 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3bj1 h LEU 13 Cb 0.56 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3bj1 h LEU 13 CO 0.03 0.64 0.39 -0.25 -0.34 0.00 0.00 178.44 178.91 3bj1 h TRP 14 N 0.60 1.20 -0.38 1.25 2.91 -0.79 -1.13 115.95 119.61 3bj1 h TRP 14 Ca 0.15 -0.06 0.04 0.00 1.13 0.00 0.00 58.89 60.15 3bj1 h TRP 14 Cb 0.21 -0.37 -0.04 0.00 -0.51 0.00 0.00 29.16 28.44 3bj1 h TRP 14 CO 0.00 0.88 0.14 0.78 -1.03 0.00 0.00 178.44 179.21 3bj1 h GLY 15 N 1.18 0.50 1.61 2.65 0.00 -1.05 -3.13 103.07 104.83 3bj1 h GLY 15 Ca 0.28 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 3bj1 h GLY 15 CO -0.03 0.04 0.13 0.50 0.00 0.00 0.00 176.54 177.17 3bj1 h LYS 16 N 0.31 0.51 -0.01 4.80 1.57 -0.68 -3.17 116.57 119.89 3bj1 h LYS 16 Ca 0.17 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3bj1 h LYS 16 Cb 0.14 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3bj1 h LYS 16 CO -0.17 0.44 -0.12 0.44 -0.57 0.00 0.00 179.45 179.46 3bj1 n ILE 17 N -4.38 0.00 -0.15 1.86 -5.35 -0.69 -4.66 119.36 105.99 3bj1 n ILE 17 Ca 0.02 -0.21 -0.06 0.00 -0.27 0.00 0.00 62.75 62.22 3bj1 n ILE 17 Cb 0.15 0.54 -0.00 0.00 -1.74 0.00 0.00 39.64 38.59 3bj1 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bj1 h ALA 18 N 4.08 -0.08 -0.61 -1.28 0.00 -1.58 0.24 119.26 120.03 3bj1 h ALA 18 Ca 0.00 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3bj1 h ALA 18 Cb 0.54 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3bj1 h ALA 18 CO 0.00 -0.68 0.43 -0.44 0.00 0.00 0.00 179.25 178.56 3bj1 h ASP 19 N -0.20 0.13 -0.18 0.00 5.19 -1.88 -2.60 116.42 116.88 3bj1 h ASP 19 Ca 0.20 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3bj1 h ASP 19 Cb 0.53 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.02 3bj1 h ASP 19 CO -0.58 0.07 0.00 0.29 -3.12 0.00 0.00 179.24 175.90 3bj1 n LYS 20 N -4.41 1.78 -0.07 3.56 5.02 0.67 -4.72 118.16 120.00 3bj1 n LYS 20 Ca 0.11 -1.75 -0.07 0.00 -2.02 0.00 0.00 58.31 54.58 3bj1 n LYS 20 Cb 0.59 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 34.25 3bj1 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bj1 h ALA 21 N 3.10 0.24 -0.82 7.82 0.00 -0.63 0.17 119.26 129.13 3bj1 h ALA 21 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3bj1 h ALA 21 Cb 0.73 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3bj1 h ALA 21 CO 0.00 -0.42 0.55 0.93 0.00 0.00 0.00 179.25 180.31 3bj1 h GLU 22 N 0.08 1.08 -0.22 0.00 5.08 -1.84 -0.06 114.58 118.70 3bj1 h GLU 22 Ca 0.13 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 3bj1 h GLU 22 Cb 0.17 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3bj1 h GLU 22 CO -0.22 0.72 -0.33 1.49 -1.00 0.00 0.00 179.01 179.67 3bj1 h GLU 23 N 1.11 0.46 -0.59 2.33 4.81 -1.79 -2.15 114.58 118.77 3bj1 h GLU 23 Ca 0.30 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3bj1 h GLU 23 Cb -0.13 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3bj1 h GLU 23 CO -0.07 0.74 0.27 0.82 -0.73 0.00 0.00 179.01 180.04 3bj1 h ILE 24 N 0.40 1.22 -0.45 2.32 2.04 0.18 -1.14 117.51 122.07 3bj1 h ILE 24 Ca 0.05 -0.63 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3bj1 h ILE 24 Cb 0.77 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3bj1 h ILE 24 CO 0.06 0.25 -0.03 1.23 0.00 0.00 0.00 178.15 179.66 3bj1 h GLY 25 N 0.81 0.88 0.95 5.37 0.00 -0.80 -1.87 103.07 108.42 3bj1 h GLY 25 Ca 0.20 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3bj1 h GLY 25 CO -0.02 0.62 -0.13 0.00 0.00 0.00 0.00 176.54 177.00 3bj1 h ALA 26 N 0.90 -0.34 -0.74 3.60 0.00 -1.29 -1.73 119.26 119.66 3bj1 h ALA 26 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3bj1 h ALA 26 Cb 0.54 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3bj1 h ALA 26 CO 0.03 -0.70 0.45 -0.44 0.00 0.00 0.00 179.25 178.59 3bj1 h ASP 27 N -0.35 0.88 -0.37 0.00 5.19 -1.21 -0.67 116.42 119.89 3bj1 h ASP 27 Ca -0.02 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 3bj1 h ASP 27 Cb 0.28 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3bj1 h ASP 27 CO 0.03 0.67 -0.18 0.00 -3.12 0.00 0.00 179.24 176.64 3bj1 h ALA 28 N 1.48 0.52 -0.54 3.45 0.00 -1.17 0.21 119.26 123.21 3bj1 h ALA 28 Ca 0.27 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3bj1 h ALA 28 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3bj1 h ALA 28 CO -0.05 0.46 0.23 1.25 0.00 0.00 0.00 179.25 181.14 3bj1 h LEU 29 N 0.58 0.73 -0.81 0.00 5.85 -1.20 -0.01 115.31 120.44 3bj1 h LEU 29 Ca 0.08 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3bj1 h LEU 29 Cb 0.73 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3bj1 h LEU 29 CO 0.06 0.69 0.49 1.23 -0.34 0.00 0.00 178.44 180.56 3bj1 h GLY 30 N 0.73 1.18 0.98 3.75 0.00 -0.74 -1.67 103.07 107.29 3bj1 h GLY 30 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3bj1 h GLY 30 CO -0.02 0.48 0.04 3.21 0.00 0.00 0.00 176.54 180.25 3bj1 h ARG 31 N 1.12 0.79 -0.27 4.80 3.08 -0.17 -2.56 114.38 121.16 3bj1 h ARG 31 Ca 0.29 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.15 3bj1 h ARG 31 Cb -0.04 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3bj1 h ARG 31 CO -0.05 0.83 0.03 1.98 -1.07 0.00 0.00 179.97 181.68 3bj1 h MET 32 N 0.65 0.12 -0.59 0.04 4.05 -0.36 0.11 114.93 118.94 3bj1 h MET 32 Ca 0.14 -0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 3bj1 h MET 32 Cb 0.45 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3bj1 h MET 32 CO 0.02 0.08 -0.02 -0.07 0.23 0.00 0.00 176.91 177.15 3bj1 h LEU 33 N 0.12 1.04 0.17 3.39 3.38 -1.24 -0.35 115.31 121.82 3bj1 h LEU 33 Ca 0.13 -0.31 -0.32 0.00 0.09 0.00 0.00 57.88 57.46 3bj1 h LEU 33 Cb 0.14 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.62 3bj1 h LEU 33 CO -0.19 1.10 -1.52 0.00 0.09 0.00 0.00 178.44 177.93 3bj1 h ALA 34 N 0.98 0.10 0.03 1.53 0.00 -1.31 -3.28 119.26 117.32 3bj1 h ALA 34 Ca 0.17 -1.01 -0.23 0.00 0.00 0.00 0.00 54.91 53.83 3bj1 h ALA 34 Cb 0.58 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3bj1 h ALA 34 CO 0.03 0.97 -1.11 0.28 0.00 0.00 0.00 179.25 179.43 3bj1 h VAL 35 N 0.10 1.61 -2.32 0.00 2.07 -0.79 -3.38 116.25 113.54 3bj1 h VAL 35 Ca -0.25 -3.29 -0.59 0.00 0.82 0.00 0.00 66.70 63.39 3bj1 h VAL 35 Cb 2.07 2.85 -0.40 0.00 -1.52 0.00 0.00 31.29 34.29 3bj1 h VAL 35 CO 0.20 0.93 -0.88 -1.22 0.02 0.00 0.00 177.57 176.62 3bj1 n TYR 36 N -3.38 0.87 0.20 1.57 4.01 -0.15 -4.97 117.16 115.31 3bj1 n TYR 36 Ca -0.03 -3.73 0.03 0.00 -0.16 0.00 0.00 57.90 54.00 3bj1 n TYR 36 Cb 0.97 -0.26 0.12 0.00 -0.31 0.00 0.00 39.34 39.86 3bj1 n TYR 36 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3bj1 n PRO 37 N 1.80 0.02 0.31 -0.72 -0.04 -1.23 -1.72 135.00 133.42 3bj1 n PRO 37 Ca 0.25 0.37 0.20 0.00 -0.04 0.00 0.00 63.50 64.27 3bj1 n PRO 37 Cb 0.46 -1.50 1.07 0.00 -0.04 0.00 0.00 33.50 33.49 3bj1 n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3bj1 h GLN 38 N 0.00 0.00 0.00 0.54 3.07 -1.90 -2.01 115.11 114.81 3bj1 h GLN 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3bj1 h GLN 38 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.64 3bj1 h GLN 38 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.83 180.71 3bj1 h THR 39 N 0.00 0.00 -0.20 1.86 1.35 -1.64 -3.31 112.91 110.96 3bj1 h THR 39 Ca 0.01 -0.62 -0.03 0.00 -0.55 0.00 0.00 66.41 65.22 3bj1 h THR 39 Cb 0.12 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 3bj1 h THR 39 CO -0.00 0.00 0.01 0.11 -0.25 0.00 0.00 175.52 175.39 3bj1 h LYS 40 N 0.00 0.29 -0.85 4.72 1.57 -1.57 -1.92 116.57 118.81 3bj1 h LYS 40 Ca 0.00 -0.04 0.24 0.00 -1.87 0.00 0.00 60.65 58.98 3bj1 h LYS 40 Cb 0.76 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3bj1 h LYS 40 CO 0.00 0.31 0.61 0.00 -0.57 0.00 0.00 179.45 179.80 3bj1 h THR 41 N 0.29 0.59 0.00 -0.16 1.03 -1.76 0.11 112.91 113.01 3bj1 h THR 41 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 3bj1 h THR 41 Cb 0.19 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 67.80 3bj1 h THR 41 CO 0.00 0.01 0.00 1.88 -0.01 0.00 0.00 175.52 177.40 3bj1 h TYR 42 N 0.06 0.00 0.00 0.00 0.05 -1.62 -3.31 116.97 112.15 3bj1 h TYR 42 Ca 0.41 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.16 3bj1 h TYR 42 Cb 1.55 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.23 3bj1 h TYR 42 CO -0.00 0.00 -0.40 1.19 -1.05 0.00 0.00 178.16 177.90 3bj1 n PHE 43 N -2.60 0.00 0.46 4.88 3.72 0.28 -4.84 117.46 119.37 3bj1 n PHE 43 Ca 0.04 -0.92 0.02 0.00 -0.05 0.00 0.00 57.45 56.53 3bj1 n PHE 43 Cb 0.41 -0.17 0.12 0.00 -0.94 0.00 0.00 39.48 38.90 3bj1 n PHE 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3bj1 n SER 44 N -0.81 0.00 -0.43 4.37 3.41 -0.57 -0.76 113.62 118.83 3bj1 n SER 44 Ca 0.13 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.54 3bj1 n SER 44 Cb 0.74 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 65.09 3bj1 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bj1 n HIS 45 N -0.78 0.00 -3.43 7.33 1.44 -1.26 -4.81 115.22 113.70 3bj1 n HIS 45 Ca 0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.35 3bj1 n HIS 45 Cb 0.01 -0.05 -0.10 0.00 0.12 0.00 0.00 29.99 29.98 3bj1 n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3bj1 s TRP 46 N -2.23 3.23 0.31 -1.40 0.51 0.06 -4.96 118.94 114.46 3bj1 s TRP 46 Ca 0.30 0.21 0.12 0.00 -2.12 0.00 0.00 56.10 54.61 3bj1 s TRP 46 Cb 0.20 -2.57 0.56 0.00 -0.81 0.00 0.00 33.47 30.85 3bj1 s TRP 46 CO 0.42 -0.29 1.73 -0.22 -0.51 0.00 0.00 176.95 178.08 3bj1 h LYS 47 N 8.31 0.00 -4.45 4.98 1.63 -1.88 -3.41 116.57 121.75 3bj1 h LYS 47 Ca -0.32 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 58.86 3bj1 h LYS 47 Cb 1.16 0.00 -0.38 0.00 -0.60 0.00 0.00 32.23 32.41 3bj1 h LYS 47 CO 0.64 0.48 -0.78 0.34 -3.45 0.00 0.00 179.45 176.68 3bj1 s ASP 48 N -6.85 4.02 0.00 4.20 -1.08 -1.26 -4.98 116.67 110.72 3bj1 s ASP 48 Ca -0.02 -1.28 0.21 0.00 -0.52 0.00 0.00 52.55 50.94 3bj1 s ASP 48 Cb 0.13 -1.27 0.58 0.00 -1.46 0.00 0.00 42.92 40.90 3bj1 s ASP 48 CO 0.74 -0.24 1.46 0.18 0.52 0.00 0.00 175.17 177.83 3bj1 n LEU 49 N 4.61 2.46 -4.78 -1.34 4.77 -1.26 -4.68 117.00 116.78 3bj1 n LEU 49 Ca -0.11 -1.07 -0.35 0.00 -0.03 0.00 0.00 56.01 54.44 3bj1 n LEU 49 Cb 0.43 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3bj1 n LEU 49 CO 0.19 0.54 0.77 -0.94 -1.33 0.00 0.00 177.39 176.62 3bj1 s SER 50 N -1.45 6.02 0.00 -1.43 1.04 -1.26 -4.64 113.70 111.97 3bj1 s SER 50 Ca 0.34 2.14 0.06 0.00 0.48 0.00 0.00 55.95 58.98 3bj1 s SER 50 Cb 0.19 -2.58 0.29 0.00 0.10 0.00 0.00 66.02 64.02 3bj1 s SER 50 CO 0.27 -1.01 1.12 -2.65 0.98 0.00 0.00 173.24 171.95 3bj1 n PRO 51 N -0.98 0.04 0.00 4.02 -0.02 -1.26 -1.36 135.00 135.45 3bj1 n PRO 51 Ca 0.10 0.31 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3bj1 n PRO 51 Cb 0.51 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.53 3bj1 n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bj1 n GLY 52 N -0.82 0.44 3.79 -1.23 0.00 -1.26 -4.41 105.19 101.71 3bj1 n GLY 52 Ca 0.02 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3bj1 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bj1 s SER 53 N -2.15 5.69 0.17 1.61 1.04 -0.46 -4.87 113.70 114.72 3bj1 s SER 53 Ca 0.22 1.87 -0.12 0.00 0.48 0.00 0.00 55.95 58.41 3bj1 s SER 53 Cb 0.18 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.83 3bj1 s SER 53 CO 0.42 -1.23 1.70 0.00 0.98 0.00 0.00 173.24 175.11 3bj1 h ALA 54 N 0.46 0.77 -0.79 5.32 0.00 -1.89 -0.91 119.26 122.22 3bj1 h ALA 54 Ca -0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 3bj1 h ALA 54 Cb 1.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3bj1 h ALA 54 CO 0.57 0.43 0.43 -1.35 0.00 0.00 0.00 179.25 179.33 3bj1 h PRO 55 N 0.83 1.10 -0.10 0.00 0.11 -1.93 -0.55 132.00 131.45 3bj1 h PRO 55 Ca 0.19 -0.12 -0.21 0.00 0.11 0.00 0.00 66.00 65.97 3bj1 h PRO 55 Cb 0.28 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.19 3bj1 h PRO 55 CO -0.01 0.80 -0.75 0.28 -0.21 0.00 0.00 178.00 178.11 3bj1 h VAL 56 N 1.11 1.31 -0.09 3.15 2.07 -1.80 -0.26 116.25 121.73 3bj1 h VAL 56 Ca 0.28 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.83 3bj1 h VAL 56 Cb 0.03 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3bj1 h VAL 56 CO -0.05 0.62 -0.06 0.78 0.02 0.00 0.00 177.57 178.89 3bj1 h ASN 57 N 0.37 -0.19 -0.33 0.57 4.21 -1.08 0.38 115.58 119.52 3bj1 h ASN 57 Ca -0.07 0.04 -0.09 0.00 1.21 0.00 0.00 56.30 57.39 3bj1 h ASN 57 Cb 1.40 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 38.69 3bj1 h ASN 57 CO 0.15 -0.08 -0.17 0.11 -1.29 0.00 0.00 177.43 176.16 3bj1 h LYS 58 N -0.06 0.69 -0.16 0.81 1.79 -1.06 -2.76 116.57 115.82 3bj1 h LYS 58 Ca 0.06 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 3bj1 h LYS 58 Cb 0.14 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3bj1 h LYS 58 CO -0.13 0.90 -0.23 1.25 -1.08 0.00 0.00 179.45 180.16 3bj1 h HIS 59 N 0.46 0.31 -0.71 -1.35 2.76 -1.02 -2.69 115.15 112.91 3bj1 h HIS 59 Ca 0.07 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 3bj1 h HIS 59 Cb 0.70 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 3bj1 h HIS 59 CO 0.06 0.50 0.42 0.78 -1.30 0.00 0.00 177.93 178.39 3bj1 h GLY 60 N 0.95 1.02 1.00 5.26 0.00 -0.81 -1.21 103.07 109.29 3bj1 h GLY 60 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3bj1 h GLY 60 CO 0.04 0.41 0.38 0.50 0.00 0.00 0.00 176.54 177.87 3bj1 h LYS 61 N 0.97 0.79 -0.54 4.80 1.57 -1.28 -1.21 116.57 121.68 3bj1 h LYS 61 Ca 0.25 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3bj1 h LYS 61 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3bj1 h LYS 61 CO -0.05 0.54 0.25 1.15 -0.57 0.00 0.00 179.45 180.77 3bj1 h THR 62 N 0.81 1.21 -0.03 -0.16 2.02 -1.08 -0.76 112.91 114.92 3bj1 h THR 62 Ca 0.22 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3bj1 h THR 62 Cb -0.07 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 3bj1 h THR 62 CO -0.04 0.24 0.02 0.40 0.37 0.00 0.00 175.52 176.50 3bj1 h ILE 63 N 0.74 1.01 -0.64 3.11 1.08 -1.04 -0.53 117.51 121.22 3bj1 h ILE 63 Ca 0.19 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 3bj1 h ILE 63 Cb 0.14 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 3bj1 h ILE 63 CO -0.02 0.01 0.41 0.24 -0.69 0.00 0.00 178.15 178.09 3bj1 h MET 64 N 0.04 0.86 -0.29 2.37 2.86 -1.07 -0.35 114.93 119.34 3bj1 h MET 64 Ca 0.01 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 3bj1 h MET 64 Cb -0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 3bj1 h MET 64 CO -0.00 0.59 -0.31 0.78 1.06 0.00 0.00 176.91 179.03 3bj1 h GLY 65 N 0.90 0.67 0.88 8.32 0.00 -0.74 0.93 103.07 114.01 3bj1 h GLY 65 Ca 0.23 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3bj1 h GLY 65 CO -0.05 0.55 0.47 -1.33 0.00 0.00 0.00 176.54 176.19 3bj1 h GLY 66 N 1.01 1.08 1.82 4.60 0.00 -0.31 -0.41 103.07 110.87 3bj1 h GLY 66 Ca 0.06 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 3bj1 h GLY 66 CO 0.06 0.31 -0.52 1.41 0.00 0.00 0.00 176.54 177.80 3bj1 h LEU 67 N 0.93 0.21 -0.49 3.11 3.38 -0.76 -1.48 115.31 120.20 3bj1 h LEU 67 Ca 0.30 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3bj1 h LEU 67 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3bj1 h LEU 67 CO -0.11 0.69 0.04 0.58 0.09 0.00 0.00 178.44 179.73 3bj1 h VAL 68 N 0.15 1.26 -0.32 1.22 2.07 -0.42 0.43 116.25 120.64 3bj1 h VAL 68 Ca 0.00 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 66.57 3bj1 h VAL 68 Cb 0.97 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 3bj1 h VAL 68 CO 0.08 0.36 -0.06 -0.78 0.02 0.00 0.00 177.57 177.18 3bj1 h ASP 69 N 0.71 -0.26 -0.96 0.57 3.58 -0.91 -1.31 116.42 117.83 3bj1 h ASP 69 Ca 0.14 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.77 3bj1 h ASP 69 Cb 0.46 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.62 3bj1 h ASP 69 CO 0.02 -0.09 0.60 0.00 -2.88 0.00 0.00 179.24 176.89 3bj1 h ALA 70 N 1.31 1.37 -0.62 -0.78 0.00 -0.94 0.94 119.26 120.53 3bj1 h ALA 70 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3bj1 h ALA 70 Cb 0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3bj1 h ALA 70 CO -0.31 0.32 0.31 0.28 0.00 0.00 0.00 179.25 179.84 3bj1 h VAL 71 N 1.05 1.21 0.00 0.00 2.07 -0.38 -0.73 116.25 119.47 3bj1 h VAL 71 Ca 0.44 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3bj1 h VAL 71 Cb 0.28 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3bj1 h VAL 71 CO -0.21 0.24 -0.22 0.00 0.02 0.00 0.00 177.57 177.40 3bj1 h ALA 72 N 1.14 1.35 -0.53 1.67 0.00 -0.68 -2.80 119.26 119.41 3bj1 h ALA 72 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bj1 h ALA 72 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3bj1 h ALA 72 CO -0.03 0.27 0.00 0.43 0.00 0.00 0.00 179.25 179.92 3bj1 n SER 73 N -3.86 5.25 0.29 0.00 7.64 0.27 -4.77 113.62 118.46 3bj1 n SER 73 Ca -0.02 -2.88 0.15 0.00 1.01 0.00 0.00 58.87 57.14 3bj1 n SER 73 Cb 0.31 -0.64 0.92 0.00 -1.01 0.00 0.00 64.21 63.79 3bj1 n SER 73 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3bj1 h ILE 74 N 3.59 0.52 0.00 0.44 2.10 -0.86 0.93 117.51 124.23 3bj1 h ILE 74 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3bj1 h ILE 74 Cb 1.80 0.99 -0.00 0.00 -1.09 0.00 0.00 36.82 38.52 3bj1 h ILE 74 CO 0.40 0.00 -0.11 0.44 -1.08 0.00 0.00 178.15 177.81 3bj1 h ASP 75 N 0.00 0.00 -1.32 2.19 3.32 -1.86 -3.38 116.42 115.37 3bj1 h ASP 75 Ca 0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3bj1 h ASP 75 Cb 0.03 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.36 3bj1 h ASP 75 CO -0.00 0.11 -0.58 -0.62 -1.72 0.00 0.00 179.24 176.43 3bj1 s ASP 76 N -5.98 -0.73 0.20 6.45 -1.08 0.30 -5.02 116.67 110.82 3bj1 s ASP 76 Ca 0.01 -1.73 -0.08 0.00 -0.52 0.00 0.00 52.55 50.23 3bj1 s ASP 76 Cb 0.09 1.40 0.13 0.00 -1.46 0.00 0.00 42.92 43.09 3bj1 s ASP 76 CO 0.60 -0.12 1.74 -0.07 0.52 0.00 0.00 175.17 177.84 3bj1 h LEU 77 N 5.73 1.09 -0.42 -1.34 3.38 -1.71 -1.15 115.31 120.90 3bj1 h LEU 77 Ca 0.09 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.91 3bj1 h LEU 77 Cb 1.09 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.49 3bj1 h LEU 77 CO 0.10 1.02 0.07 0.78 0.09 0.00 0.00 178.44 180.50 3bj1 h ASN 78 N 1.11 -0.01 -0.10 -0.43 4.21 -1.89 0.23 115.58 118.71 3bj1 h ASN 78 Ca 0.24 0.07 -0.22 0.00 1.21 0.00 0.00 56.30 57.60 3bj1 h ASN 78 Cb 0.32 0.10 0.01 0.00 -1.12 0.00 0.00 38.32 37.63 3bj1 h ASN 78 CO -0.01 0.03 -0.79 0.00 -1.29 0.00 0.00 177.43 175.37 3bj1 h ALA 79 N 1.32 0.33 -0.00 -0.83 0.00 -1.92 -3.27 119.26 114.90 3bj1 h ALA 79 Ca 0.20 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3bj1 h ALA 79 Cb 0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3bj1 h ALA 79 CO -0.27 0.69 -0.62 0.78 0.00 0.00 0.00 179.25 179.83 3bj1 h GLY 80 N 0.63 0.02 -3.01 0.00 0.00 -0.61 -3.16 103.07 96.94 3bj1 h GLY 80 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3bj1 h GLY 80 CO 0.16 0.02 0.00 1.04 0.00 0.00 0.00 176.54 177.76 3bj1 n LEU 81 N -3.80 4.92 -0.20 3.11 4.77 0.76 -4.72 117.00 121.84 3bj1 n LEU 81 Ca -0.01 -2.62 -0.04 0.00 -0.03 0.00 0.00 56.01 53.31 3bj1 n LEU 81 Cb 0.62 -0.59 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3bj1 n LEU 81 CO 0.42 0.75 1.07 0.25 -1.33 0.00 0.00 177.39 178.55 3bj1 h LEU 82 N 3.79 0.51 -0.55 2.23 5.85 -1.59 0.05 115.31 125.59 3bj1 h LEU 82 Ca 0.00 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 3bj1 h LEU 82 Cb 1.58 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 3bj1 h LEU 82 CO 0.30 0.35 -0.34 0.00 -0.34 0.00 0.00 178.44 178.41 3bj1 h ALA 83 N 1.28 0.73 -0.32 1.25 0.00 -1.87 -1.26 119.26 119.07 3bj1 h ALA 83 Ca 0.25 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3bj1 h ALA 83 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3bj1 h ALA 83 CO -0.14 0.66 -0.18 -0.07 0.00 0.00 0.00 179.25 179.52 3bj1 h LEU 84 N 0.66 0.58 0.13 0.00 3.38 -1.81 -0.81 115.31 117.44 3bj1 h LEU 84 Ca 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3bj1 h LEU 84 Cb 0.89 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3bj1 h LEU 84 CO 0.08 0.77 -0.06 -1.28 0.09 0.00 0.00 178.44 178.04 3bj1 h SER 85 N 0.53 -0.15 -0.75 -0.43 0.87 -0.57 -1.42 113.55 111.62 3bj1 h SER 85 Ca 0.09 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3bj1 h SER 85 Cb 0.60 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 3bj1 h SER 85 CO 0.04 0.02 0.49 -0.33 -0.53 0.00 0.00 176.83 176.52 3bj1 h GLU 86 N -0.30 0.84 -0.03 2.24 4.39 -1.12 0.14 114.58 120.73 3bj1 h GLU 86 Ca -0.02 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bj1 h GLU 86 Cb 0.24 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3bj1 h GLU 86 CO 0.03 0.55 0.01 1.25 -1.16 0.00 0.00 179.01 179.69 3bj1 h LEU 87 N 0.86 0.04 -0.47 1.33 5.85 -1.05 0.24 115.31 122.11 3bj1 h LEU 87 Ca 0.31 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 3bj1 h LEU 87 Cb 0.14 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3bj1 h LEU 87 CO -0.10 0.18 -0.29 0.45 -0.34 0.00 0.00 178.44 178.34 3bj1 h HIS 88 N -0.11 1.11 0.54 1.25 3.86 -0.83 -1.71 115.15 119.27 3bj1 h HIS 88 Ca 0.01 -0.30 -0.03 0.00 -1.16 0.00 0.00 60.37 58.90 3bj1 h HIS 88 Cb 0.15 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.38 3bj1 h HIS 88 CO -0.02 1.12 -0.26 0.00 0.86 0.00 0.00 177.93 179.62 3bj1 h ALA 89 N 0.85 -0.73 0.00 2.45 0.00 -0.74 0.67 119.26 121.77 3bj1 h ALA 89 Ca 0.09 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 3bj1 h ALA 89 Cb 0.88 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3bj1 h ALA 89 CO 0.08 -0.86 -1.91 1.19 0.00 0.00 0.00 179.25 177.75 3bj1 n PHE 90 N -5.36 0.00 -0.09 0.00 3.01 0.84 -3.30 117.46 112.55 3bj1 n PHE 90 Ca -0.12 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.16 3bj1 n PHE 90 Cb 0.32 -0.64 -0.11 0.00 -0.01 0.00 0.00 39.48 39.04 3bj1 n PHE 90 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3bj1 h THR 91 N 0.00 1.08 0.00 4.37 2.02 -1.50 -3.40 112.91 115.48 3bj1 h THR 91 Ca -0.33 -2.13 -0.22 0.00 0.77 0.00 0.00 66.41 64.50 3bj1 h THR 91 Cb 1.73 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 70.45 3bj1 h THR 91 CO 0.02 0.37 -1.60 0.18 0.37 0.00 0.00 175.52 174.86 3bj1 n LEU 92 N -4.50 0.80 -3.27 2.58 4.77 -0.70 -5.03 117.00 111.64 3bj1 n LEU 92 Ca -0.24 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 3bj1 n LEU 92 Cb 0.59 0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.83 3bj1 n LEU 92 CO 0.22 0.25 -0.09 0.54 -1.33 0.00 0.00 177.39 176.98 3bj1 n ARG 93 N -2.92 -1.98 -3.76 3.23 1.74 -0.58 -4.99 116.66 107.40 3bj1 n ARG 93 Ca -0.14 1.59 -0.36 0.00 -0.77 0.00 0.00 57.85 58.17 3bj1 n ARG 93 Cb 0.93 -3.74 -0.11 0.00 -1.02 0.00 0.00 32.46 28.53 3bj1 n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3bj1 s VAL 94 N -2.22 4.82 -0.21 1.55 1.01 0.13 -5.01 120.40 120.45 3bj1 s VAL 94 Ca 0.25 -0.00 -0.34 0.00 0.00 0.00 0.00 61.98 61.88 3bj1 s VAL 94 Cb -0.04 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 3bj1 s VAL 94 CO 0.83 0.34 2.03 -0.67 0.00 0.00 0.00 175.10 177.63 3bj1 n ASP 95 N 4.56 2.89 0.00 3.32 -0.08 -1.26 -4.78 116.55 121.20 3bj1 n ASP 95 Ca -0.16 0.67 0.05 0.00 -1.51 0.00 0.00 54.79 53.84 3bj1 n ASP 95 Cb 0.52 -1.35 0.27 0.00 2.34 0.00 0.00 41.12 42.90 3bj1 n ASP 95 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3bj1 n PRO 96 N 7.42 0.16 0.32 -0.67 -0.04 -1.26 -0.70 135.00 140.23 3bj1 n PRO 96 Ca 0.30 0.17 0.21 0.00 -0.04 0.00 0.00 63.50 64.14 3bj1 n PRO 96 Cb 0.28 -1.50 1.03 0.00 -0.04 0.00 0.00 33.50 33.28 3bj1 n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bj1 h ALA 97 N 2.51 1.01 0.00 0.55 0.00 -2.01 -2.85 119.26 118.46 3bj1 h ALA 97 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bj1 h ALA 97 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bj1 h ALA 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 179.25 178.34 3bj1 h ASN 98 N 0.00 0.00 -0.65 0.00 2.35 -1.28 -3.33 115.58 112.67 3bj1 h ASN 98 Ca -0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3bj1 h ASN 98 Cb 0.18 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3bj1 h ASN 98 CO 0.00 0.00 0.39 -0.26 -1.65 0.00 0.00 177.43 175.91 3bj1 h PHE 99 N 0.00 0.85 0.00 1.19 0.04 -1.70 -2.44 116.94 114.88 3bj1 h PHE 99 Ca 0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3bj1 h PHE 99 Cb 0.76 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3bj1 h PHE 99 CO 0.00 0.58 -0.19 1.57 -0.60 0.00 0.00 178.31 179.67 3bj1 h LYS 100 N 0.88 0.00 0.10 1.51 2.10 -1.79 -1.39 116.57 117.99 3bj1 h LYS 100 Ca 0.23 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.88 3bj1 h LYS 100 Cb -0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3bj1 h LYS 100 CO -0.04 0.19 -0.05 0.82 -2.00 0.00 0.00 179.45 178.37 3bj1 h ILE 101 N 0.00 1.04 -0.45 0.07 2.04 -1.62 -0.64 117.51 117.94 3bj1 h ILE 101 Ca -0.00 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3bj1 h ILE 101 Cb 0.38 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3bj1 h ILE 101 CO 0.02 0.13 0.19 0.25 0.00 0.00 0.00 178.15 178.75 3bj1 h LEU 102 N -0.39 0.61 -0.39 1.44 5.85 -1.25 -0.74 115.31 120.43 3bj1 h LEU 102 Ca -0.01 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.63 3bj1 h LEU 102 Cb 0.32 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 3bj1 h LEU 102 CO 0.02 0.60 -0.31 0.28 -0.34 0.00 0.00 178.44 178.70 3bj1 h SER 103 N 0.59 -1.02 -0.60 1.25 0.02 -1.19 0.92 113.55 113.52 3bj1 h SER 103 Ca 0.15 0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.37 3bj1 h SER 103 Cb 0.17 0.48 -0.07 0.00 0.14 0.00 0.00 62.40 63.13 3bj1 h SER 103 CO -0.01 -0.31 0.25 -0.74 -1.14 0.00 0.00 176.83 174.88 3bj1 h HIS 104 N -0.24 0.44 -0.24 3.45 -0.00 -0.53 -1.40 115.15 116.64 3bj1 h HIS 104 Ca 0.18 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3bj1 h HIS 104 Cb 0.52 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 3bj1 h HIS 104 CO -0.52 0.15 -0.19 0.00 -0.00 0.00 0.00 177.93 177.37 3bj1 h ILE 106 N 0.39 1.17 -0.29 0.00 2.04 -0.26 -0.17 117.51 120.39 3bj1 h ILE 106 Ca 0.07 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3bj1 h ILE 106 Cb 0.56 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 3bj1 h ILE 106 CO 0.04 0.17 0.15 -0.07 0.00 0.00 0.00 178.15 178.44 3bj1 h LEU 107 N 0.15 0.23 -0.13 1.44 3.38 -0.94 0.22 115.31 119.66 3bj1 h LEU 107 Ca 0.06 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3bj1 h LEU 107 Cb 0.20 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3bj1 h LEU 107 CO -0.00 0.17 -0.12 0.58 0.09 0.00 0.00 178.44 179.16 3bj1 h VAL 108 N 0.31 0.67 -0.15 1.22 2.07 -0.91 -0.02 116.25 119.45 3bj1 h VAL 108 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3bj1 h VAL 108 Cb 0.03 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3bj1 h VAL 108 CO -0.08 0.00 -0.13 -0.61 0.02 0.00 0.00 177.57 176.78 3bj1 h GLN 109 N -0.13 -0.14 -0.91 1.57 5.75 -0.66 -1.73 115.11 118.85 3bj1 h GLN 109 Ca 0.09 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.70 3bj1 h GLN 109 Cb 0.26 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.77 3bj1 h GLN 109 CO -0.21 -0.09 0.55 -0.07 -2.65 0.00 0.00 178.83 176.35 3bj1 h LEU 110 N -0.14 0.81 -1.35 -2.39 3.38 -0.32 -2.05 115.31 113.24 3bj1 h LEU 110 Ca 0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3bj1 h LEU 110 Cb 0.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3bj1 h LEU 110 CO -0.24 0.46 0.38 0.00 0.09 0.00 0.00 178.44 179.13 3bj1 h ALA 111 N 1.48 1.52 0.00 1.53 0.00 -0.28 0.61 119.26 124.11 3bj1 h ALA 111 Ca 0.44 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3bj1 h ALA 111 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3bj1 h ALA 111 CO -0.24 0.43 -0.33 -0.39 0.00 0.00 0.00 179.25 178.72 3bj1 h VAL 112 N 0.84 0.77 0.00 0.00 -1.51 -0.61 -2.93 116.25 112.81 3bj1 h VAL 112 Ca 0.22 -1.41 -0.35 0.00 -1.23 0.00 0.00 66.70 63.94 3bj1 h VAL 112 Cb -0.06 1.89 -0.06 0.00 -2.13 0.00 0.00 31.29 30.93 3bj1 h VAL 112 CO -0.04 0.32 -2.31 0.29 -1.23 0.00 0.00 177.57 174.60 3bj1 n LYS 113 N -3.47 0.75 -2.77 5.19 5.02 -0.82 -4.68 118.16 117.37 3bj1 n LYS 113 Ca -0.00 0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 3bj1 n LYS 113 Cb 0.49 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3bj1 n LYS 113 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3bj1 n PHE 114 N -3.00 3.13 0.18 2.13 3.72 0.21 -4.94 117.46 118.90 3bj1 n PHE 114 Ca -0.37 -3.54 0.11 0.00 -0.05 0.00 0.00 57.45 53.60 3bj1 n PHE 114 Cb 1.00 -0.32 0.65 0.00 -0.94 0.00 0.00 39.48 39.87 3bj1 n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3bj1 h PRO 115 N 2.84 0.01 0.00 -1.08 0.13 -1.69 -1.42 132.00 130.78 3bj1 h PRO 115 Ca 0.17 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3bj1 h PRO 115 Cb 0.77 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 3bj1 h PRO 115 CO 0.77 0.00 -0.01 0.87 -0.23 0.00 0.00 178.00 179.40 3bj1 h LYS 116 N 0.01 0.00 0.00 0.86 1.57 -1.92 -1.70 116.57 115.38 3bj1 h LYS 116 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3bj1 h LYS 116 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3bj1 h LYS 116 CO -0.00 0.01 -0.04 -0.44 -0.57 0.00 0.00 179.45 178.41 3bj1 h ASP 117 N 0.00 0.00 -0.72 0.86 3.32 -1.66 -3.38 116.42 114.85 3bj1 h ASP 117 Ca -0.00 -0.01 -0.72 0.00 0.02 0.00 0.00 57.03 56.32 3bj1 h ASP 117 Cb 0.34 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 3bj1 h ASP 117 CO 0.00 0.01 2.95 0.49 -1.72 0.00 0.00 179.24 180.96 3bj1 n PHE 118 N -2.36 2.57 -1.81 4.55 3.01 -0.64 -4.52 117.46 118.26 3bj1 n PHE 118 Ca 0.05 -2.93 -0.32 0.00 1.01 0.00 0.00 57.45 55.26 3bj1 n PHE 118 Cb 0.44 -2.10 0.03 0.00 -0.01 0.00 0.00 39.48 37.85 3bj1 n PHE 118 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3bj1 s THR 119 N 0.22 3.65 0.19 4.37 -4.23 -1.26 -4.85 115.64 113.74 3bj1 s THR 119 Ca 0.59 0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 61.69 3bj1 s THR 119 Cb 0.18 -3.27 0.10 0.00 1.34 0.00 0.00 72.50 70.85 3bj1 s THR 119 CO -0.08 -0.53 1.76 -0.65 -0.54 0.00 0.00 174.62 174.58 3bj1 h PRO 120 N -0.02 0.42 -0.70 3.99 0.11 -1.99 -1.19 132.00 132.61 3bj1 h PRO 120 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3bj1 h PRO 120 Cb 1.23 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3bj1 h PRO 120 CO 0.56 0.28 0.20 0.93 -0.21 0.00 0.00 178.00 179.76 3bj1 h GLU 121 N 0.43 1.10 -0.19 1.05 5.08 -1.96 -0.09 114.58 119.99 3bj1 h GLU 121 Ca 0.25 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3bj1 h GLU 121 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3bj1 h GLU 121 CO -0.23 0.94 0.04 0.28 -1.00 0.00 0.00 179.01 179.05 3bj1 h VAL 122 N 1.05 1.21 -0.47 3.13 2.07 -1.78 -2.59 116.25 118.88 3bj1 h VAL 122 Ca 0.23 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.15 3bj1 h VAL 122 Cb 0.32 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 3bj1 h VAL 122 CO -0.01 0.21 0.03 -0.74 0.02 0.00 0.00 177.57 177.09 3bj1 h HIS 123 N 0.12 0.04 -0.53 1.57 -0.00 -1.05 0.39 115.15 115.69 3bj1 h HIS 123 Ca 0.06 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.57 3bj1 h HIS 123 Cb 0.28 0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 27.66 3bj1 h HIS 123 CO 0.01 -0.07 -0.00 1.25 -0.00 0.00 0.00 177.93 179.12 3bj1 h LEU 124 N 0.15 -0.24 -0.46 0.26 5.85 -0.92 0.39 115.31 120.34 3bj1 h LEU 124 Ca 0.23 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3bj1 h LEU 124 Cb 0.33 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3bj1 h LEU 124 CO -0.36 -0.09 0.26 0.28 -0.34 0.00 0.00 178.44 178.20 3bj1 h SER 125 N 0.11 0.57 -0.45 1.25 0.02 -0.93 -0.65 113.55 113.47 3bj1 h SER 125 Ca 0.27 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3bj1 h SER 125 Cb 0.41 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3bj1 h SER 125 CO -0.45 0.49 0.14 1.88 -1.14 0.00 0.00 176.83 177.75 3bj1 h TYR 126 N 0.61 0.74 -0.76 3.45 0.05 -0.55 -0.46 116.97 120.05 3bj1 h TYR 126 Ca 0.16 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3bj1 h TYR 126 Cb 0.04 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 3bj1 h TYR 126 CO -0.02 0.66 0.41 0.22 -1.05 0.00 0.00 178.16 178.38 3bj1 h ASP 127 N 0.60 0.95 -0.89 3.88 3.58 -0.81 -0.37 116.42 123.36 3bj1 h ASP 127 Ca 0.15 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3bj1 h ASP 127 Cb 0.28 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 3bj1 h ASP 127 CO -0.00 0.78 0.57 0.11 -2.88 0.00 0.00 179.24 177.82 3bj1 h LYS 128 N 1.05 1.19 0.71 0.28 1.57 -0.79 -0.01 116.57 120.57 3bj1 h LYS 128 Ca 0.27 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3bj1 h LYS 128 Cb 0.05 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.10 3bj1 h LYS 128 CO -0.04 0.80 -0.34 0.35 -0.57 0.00 0.00 179.45 179.65 3bj1 h PHE 129 N 1.22 -0.88 -0.61 -1.35 3.57 -0.70 -0.70 116.94 117.49 3bj1 h PHE 129 Ca 0.33 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.86 3bj1 h PHE 129 Cb -0.11 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 3bj1 h PHE 129 CO -0.01 -0.53 0.41 0.74 -2.23 0.00 0.00 178.31 176.69 3bj1 h PHE 130 N -1.03 0.62 -0.53 0.41 0.04 -0.94 -0.25 116.94 115.26 3bj1 h PHE 130 Ca -0.10 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 3bj1 h PHE 130 Cb 0.75 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 3bj1 h PHE 130 CO -0.01 0.34 0.18 1.03 -0.60 0.00 0.00 178.31 179.24 3bj1 h SER 131 N 0.62 0.77 -0.52 2.17 0.87 -0.80 -1.18 113.55 115.49 3bj1 h SER 131 Ca 0.26 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3bj1 h SER 131 Cb 0.24 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3bj1 h SER 131 CO -0.08 0.77 -0.02 0.00 -0.53 0.00 0.00 176.83 176.97 3bj1 h ALA 132 N 1.04 0.70 -0.09 6.23 0.00 -0.35 0.13 119.26 126.91 3bj1 h ALA 132 Ca 0.17 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3bj1 h ALA 132 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3bj1 h ALA 132 CO -0.01 0.53 -0.10 0.28 0.00 0.00 0.00 179.25 179.95 3bj1 h VAL 133 N 0.79 0.72 -0.86 0.00 2.07 -0.93 -0.19 116.25 117.85 3bj1 h VAL 133 Ca 0.14 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.68 3bj1 h VAL 133 Cb 0.55 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3bj1 h VAL 133 CO 0.03 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.19 3bj1 h ALA 134 N 0.93 1.10 -0.53 1.67 0.00 -1.09 0.50 119.26 121.84 3bj1 h ALA 134 Ca 0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3bj1 h ALA 134 Cb 0.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3bj1 h ALA 134 CO -0.17 0.49 -0.02 0.00 0.00 0.00 0.00 179.25 179.55 3bj1 h ARG 135 N 1.16 0.91 -0.73 0.00 3.08 -0.80 -1.07 114.38 116.93 3bj1 h ARG 135 Ca 0.32 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3bj1 h ARG 135 Cb -0.12 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3bj1 h ARG 135 CO -0.07 0.91 0.28 0.00 -1.07 0.00 0.00 179.97 180.02 3bj1 h ALA 136 N 1.13 0.95 0.00 0.04 0.00 -0.57 -2.40 119.26 118.41 3bj1 h ALA 136 Ca 0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3bj1 h ALA 136 Cb 0.52 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3bj1 h ALA 136 CO 0.03 0.59 -0.19 -0.07 0.00 0.00 0.00 179.25 179.61 3bj1 h LEU 137 N 1.06 0.00 0.00 0.00 3.38 -0.69 -2.76 115.31 116.30 3bj1 h LEU 137 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3bj1 h LEU 137 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3bj1 h LEU 137 CO -0.02 0.19 -0.07 0.00 0.09 0.00 0.00 178.44 178.63 3bj1 n ALA 138 N -2.24 2.45 -0.17 1.53 0.00 -0.42 -4.43 120.51 117.23 3bj1 n ALA 138 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 3bj1 n ALA 138 Cb 0.35 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.45 3bj1 n ALA 138 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3bj1 h GLU 139 N 0.00 0.35 -0.53 0.00 4.39 -1.18 -2.93 114.58 114.69 3bj1 h GLU 139 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3bj1 h GLU 139 Cb 0.57 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3bj1 h GLU 139 CO 0.00 0.23 0.00 1.63 -1.16 0.00 0.00 179.01 179.71 3bj1 n LYS 140 N -5.01 2.37 0.01 2.33 4.76 -1.26 -4.25 118.16 117.11 3bj1 n LYS 140 Ca 0.06 -1.68 -0.04 0.00 -2.87 0.00 0.00 58.31 53.78 3bj1 n LYS 140 Cb 0.21 -1.51 0.20 0.00 -1.84 0.00 0.00 35.03 32.09 3bj1 n LYS 140 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3bj1 h TYR 141 N 2.55 0.57 0.00 2.13 -1.99 -1.81 -3.47 116.97 114.95 3bj1 h TYR 141 Ca 0.00 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.61 3bj1 h TYR 141 Cb 0.80 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.39 3bj1 h TYR 141 CO 0.39 0.71 0.00 2.89 -0.00 0.00 0.00 178.16 182.15