#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bj2 s LEU 2 N 0.00 4.49 0.68 -3.43 1.43 -1.26 -5.06 118.68 115.53 3bj2 s LEU 2 Ca 0.00 2.02 -0.08 0.00 -1.03 0.00 0.00 54.13 55.04 3bj2 s LEU 2 Cb 0.00 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.66 3bj2 s LEU 2 CO 0.00 -0.20 1.01 -0.94 0.23 0.00 0.00 176.35 176.45 3bj2 s SER 3 N -0.02 5.09 0.38 2.29 1.04 -1.26 -4.89 113.70 116.32 3bj2 s SER 3 Ca 0.49 0.65 0.05 0.00 0.48 0.00 0.00 55.95 57.62 3bj2 s SER 3 Cb -0.28 -1.40 0.73 0.00 0.10 0.00 0.00 66.02 65.17 3bj2 s SER 3 CO 0.33 -1.44 2.01 0.28 0.98 0.00 0.00 173.24 175.40 3bj2 h SER 4 N -0.53 0.56 -0.57 7.02 0.02 -1.99 -0.98 113.55 117.08 3bj2 h SER 4 Ca -0.45 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.43 3bj2 h SER 4 Cb 1.29 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 3bj2 h SER 4 CO 0.61 0.45 0.19 0.50 -1.14 0.00 0.00 176.83 177.44 3bj2 h LYS 5 N 0.64 0.87 -0.25 3.45 3.64 -1.99 -0.34 116.57 122.59 3bj2 h LYS 5 Ca 0.17 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3bj2 h LYS 5 Cb 0.01 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3bj2 h LYS 5 CO -0.03 0.78 0.05 -0.44 -2.27 0.00 0.00 179.45 177.54 3bj2 h ASP 6 N 0.79 0.38 -0.47 4.20 3.32 -1.73 -1.69 116.42 121.23 3bj2 h ASP 6 Ca 0.18 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3bj2 h ASP 6 Cb 0.27 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3bj2 h ASP 6 CO -0.01 0.53 0.28 0.11 -1.72 0.00 0.00 179.24 178.44 3bj2 h LYS 7 N 0.22 0.63 -0.45 3.56 1.57 -1.15 -0.89 116.57 120.07 3bj2 h LYS 7 Ca 0.08 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3bj2 h LYS 7 Cb 0.31 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3bj2 h LYS 7 CO 0.00 0.47 0.11 -0.44 -0.57 0.00 0.00 179.45 179.02 3bj2 h ASP 8 N 0.62 0.05 -0.85 0.86 3.45 -0.92 -0.72 116.42 118.92 3bj2 h ASP 8 Ca 0.17 0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.67 3bj2 h ASP 8 Cb -0.00 0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 38.81 3bj2 h ASP 8 CO -0.03 0.06 0.44 0.00 -1.57 0.00 0.00 179.24 178.15 3bj2 h ALA 9 N 1.33 1.09 -0.14 3.45 0.00 -0.92 -0.02 119.26 124.05 3bj2 h ALA 9 Ca 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3bj2 h ALA 9 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bj2 h ALA 9 CO -0.27 0.62 -0.09 0.28 0.00 0.00 0.00 179.25 179.80 3bj2 h VAL 10 N 1.19 1.32 -0.69 0.00 2.07 -0.89 -1.76 116.25 117.50 3bj2 h VAL 10 Ca 0.30 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.68 3bj2 h VAL 10 Cb 0.06 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3bj2 h VAL 10 CO -0.04 0.34 0.44 0.11 0.02 0.00 0.00 177.57 178.43 3bj2 h LYS 11 N -0.04 0.85 -0.47 1.57 1.57 -0.95 -1.49 116.57 117.62 3bj2 h LYS 11 Ca 0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3bj2 h LYS 11 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3bj2 h LYS 11 CO 0.02 0.56 0.13 0.00 -0.57 0.00 0.00 179.45 179.59 3bj2 h ALA 12 N 1.28 1.35 -0.30 3.86 0.00 -0.87 -1.84 119.26 122.75 3bj2 h ALA 12 Ca 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3bj2 h ALA 12 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3bj2 h ALA 12 CO -0.09 0.47 -0.08 1.25 0.00 0.00 0.00 179.25 180.80 3bj2 h LEU 13 N 0.68 0.59 -0.89 0.00 5.85 -0.93 -2.88 115.31 117.72 3bj2 h LEU 13 Ca 0.16 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 3bj2 h LEU 13 Cb 0.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3bj2 h LEU 13 CO -0.01 0.82 0.20 -0.25 -0.34 0.00 0.00 178.44 178.86 3bj2 h TRP 14 N 0.35 1.05 -0.15 1.25 2.91 -0.97 -1.04 115.95 119.34 3bj2 h TRP 14 Ca 0.08 -0.10 0.05 0.00 1.13 0.00 0.00 58.89 60.04 3bj2 h TRP 14 Cb 0.56 -0.31 -0.05 0.00 -0.51 0.00 0.00 29.16 28.86 3bj2 h TRP 14 CO 0.05 0.84 -0.16 0.78 -1.03 0.00 0.00 178.44 178.93 3bj2 h GLY 15 N 1.06 -0.07 1.82 2.65 0.00 -1.33 -3.10 103.07 104.10 3bj2 h GLY 15 Ca 0.22 0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 3bj2 h GLY 15 CO -0.01 -0.16 -0.12 0.50 0.00 0.00 0.00 176.54 176.76 3bj2 h LYS 16 N -0.18 0.22 -0.02 4.80 1.57 -0.99 -3.12 116.57 118.85 3bj2 h LYS 16 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3bj2 h LYS 16 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3bj2 h LYS 16 CO -0.26 0.35 0.00 0.44 -0.57 0.00 0.00 179.45 179.41 3bj2 n ILE 17 N -4.29 0.00 -0.21 1.86 -5.35 -0.73 -4.62 119.36 106.03 3bj2 n ILE 17 Ca -0.01 -0.23 -0.09 0.00 -0.27 0.00 0.00 62.75 62.15 3bj2 n ILE 17 Cb 0.25 0.42 -0.04 0.00 -1.74 0.00 0.00 39.64 38.53 3bj2 n ILE 17 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bj2 h ALA 18 N 4.32 -0.37 -0.15 -1.28 0.00 -1.59 0.26 119.26 120.44 3bj2 h ALA 18 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3bj2 h ALA 18 Cb 0.46 0.99 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3bj2 h ALA 18 CO 0.00 -0.85 0.11 -0.44 0.00 0.00 0.00 179.25 178.07 3bj2 h ASP 19 N -0.23 0.00 -0.13 0.00 3.45 -1.88 -2.80 116.42 114.84 3bj2 h ASP 19 Ca 0.17 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3bj2 h ASP 19 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 3bj2 h ASP 19 CO -0.69 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 177.27 3bj2 n LYS 20 N -4.49 1.84 -0.07 3.56 5.02 0.61 -4.72 118.16 119.91 3bj2 n LYS 20 Ca 0.01 -1.78 -0.07 0.00 -2.02 0.00 0.00 58.31 54.45 3bj2 n LYS 20 Cb 0.24 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 3bj2 n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bj2 h ALA 21 N 3.68 0.15 -0.66 7.82 0.00 -0.47 0.11 119.26 129.89 3bj2 h ALA 21 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3bj2 h ALA 21 Cb 0.81 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3bj2 h ALA 21 CO 0.00 -0.49 0.40 0.93 0.00 0.00 0.00 179.25 180.09 3bj2 h GLU 22 N -0.04 0.76 -0.20 0.00 5.08 -1.84 -1.42 114.58 116.92 3bj2 h GLU 22 Ca 0.15 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 3bj2 h GLU 22 Cb 0.26 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3bj2 h GLU 22 CO -0.32 0.50 -0.32 0.93 -1.00 0.00 0.00 179.01 178.80 3bj2 h GLU 23 N 0.79 0.40 -0.13 2.33 5.08 -1.78 -2.51 114.58 118.77 3bj2 h GLU 23 Ca 0.27 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3bj2 h GLU 23 Cb 0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3bj2 h GLU 23 CO -0.11 0.68 0.07 0.82 -1.00 0.00 0.00 179.01 179.46 3bj2 h ILE 24 N 0.35 1.10 -0.50 3.13 2.04 -0.47 -1.14 117.51 122.01 3bj2 h ILE 24 Ca 0.04 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 3bj2 h ILE 24 Cb 0.74 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3bj2 h ILE 24 CO 0.06 0.09 0.29 1.23 0.00 0.00 0.00 178.15 179.82 3bj2 h GLY 25 N 0.10 0.74 0.92 5.37 0.00 -1.17 -1.12 103.07 107.90 3bj2 h GLY 25 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3bj2 h GLY 25 CO -0.01 0.31 0.08 0.00 0.00 0.00 0.00 176.54 176.92 3bj2 h ALA 26 N 1.13 0.48 -0.71 3.60 0.00 -1.36 -2.09 119.26 120.31 3bj2 h ALA 26 Ca 0.18 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3bj2 h ALA 26 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3bj2 h ALA 26 CO -0.03 0.16 0.16 -0.44 0.00 0.00 0.00 179.25 179.09 3bj2 h ASP 27 N 0.44 1.08 -0.55 0.00 5.19 -1.10 -0.75 116.42 120.72 3bj2 h ASP 27 Ca 0.11 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 56.21 3bj2 h ASP 27 Cb 0.32 -0.29 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 3bj2 h ASP 27 CO 0.00 1.04 0.06 0.00 -3.12 0.00 0.00 179.24 177.23 3bj2 h ALA 28 N 1.09 1.00 -0.36 3.45 0.00 -1.08 0.96 119.26 124.32 3bj2 h ALA 28 Ca 0.22 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3bj2 h ALA 28 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3bj2 h ALA 28 CO 0.01 0.63 -0.04 1.25 0.00 0.00 0.00 179.25 181.09 3bj2 h LEU 29 N 0.91 0.65 -1.15 0.00 5.85 -1.29 -1.18 115.31 119.09 3bj2 h LEU 29 Ca 0.18 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3bj2 h LEU 29 Cb 0.44 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3bj2 h LEU 29 CO 0.02 0.83 0.58 1.23 -0.34 0.00 0.00 178.44 180.76 3bj2 h GLY 30 N 0.46 1.25 0.79 3.75 0.00 -0.56 -2.51 103.07 106.25 3bj2 h GLY 30 Ca 0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3bj2 h GLY 30 CO 0.03 0.40 0.02 3.21 0.00 0.00 0.00 176.54 180.19 3bj2 h ARG 31 N 1.12 0.15 -0.14 4.80 3.08 -0.55 -2.91 114.38 119.94 3bj2 h ARG 31 Ca 0.34 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.40 3bj2 h ARG 31 Cb -0.02 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 3bj2 h ARG 31 CO -0.09 0.36 -0.26 1.98 -1.07 0.00 0.00 179.97 180.89 3bj2 h MET 32 N -0.08 -0.31 -0.65 0.04 4.05 -0.88 0.86 114.93 117.97 3bj2 h MET 32 Ca 0.03 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.49 3bj2 h MET 32 Cb 0.28 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 3bj2 h MET 32 CO 0.00 -0.21 0.41 -0.07 0.23 0.00 0.00 176.91 177.28 3bj2 h LEU 33 N -0.32 0.68 0.20 3.39 3.38 -1.51 0.23 115.31 121.37 3bj2 h LEU 33 Ca 0.10 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 3bj2 h LEU 33 Cb 0.47 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 41.10 3bj2 h LEU 33 CO -0.32 0.48 -1.18 0.00 0.09 0.00 0.00 178.44 177.51 3bj2 h ALA 34 N 1.27 -0.13 0.07 1.53 0.00 -1.36 -3.29 119.26 117.36 3bj2 h ALA 34 Ca 0.25 -0.78 -0.26 0.00 0.00 0.00 0.00 54.91 54.12 3bj2 h ALA 34 Cb -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3bj2 h ALA 34 CO -0.09 0.55 -1.30 0.28 0.00 0.00 0.00 179.25 178.70 3bj2 h VAL 35 N -0.06 1.40 -2.70 0.00 2.07 -0.80 -3.38 116.25 112.77 3bj2 h VAL 35 Ca -0.20 -3.07 -0.61 0.00 0.82 0.00 0.00 66.70 63.64 3bj2 h VAL 35 Cb 1.93 2.81 -0.41 0.00 -1.52 0.00 0.00 31.29 34.10 3bj2 h VAL 35 CO 0.22 0.86 -0.70 -1.22 0.02 0.00 0.00 177.57 176.75 3bj2 n TYR 36 N -3.40 2.21 0.25 1.57 4.01 0.80 -4.97 117.16 117.64 3bj2 n TYR 36 Ca -0.09 -4.03 0.07 0.00 -0.16 0.00 0.00 57.90 53.70 3bj2 n TYR 36 Cb 1.01 -0.41 0.34 0.00 -0.31 0.00 0.00 39.34 39.97 3bj2 n TYR 36 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3bj2 n PRO 37 N 1.90 0.08 0.06 -0.72 -0.04 -1.24 -1.81 135.00 133.23 3bj2 n PRO 37 Ca 0.24 0.46 0.21 0.00 -0.04 0.00 0.00 63.50 64.37 3bj2 n PRO 37 Cb 0.40 -1.71 0.73 0.00 -0.04 0.00 0.00 33.50 32.88 3bj2 n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 3bj2 h GLN 38 N 0.00 0.00 0.00 0.54 -0.00 -1.90 -1.86 115.11 111.89 3bj2 h GLN 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3bj2 h GLN 38 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 3bj2 h GLN 38 CO 0.00 0.00 -0.16 1.79 -0.00 0.00 0.00 178.83 180.46 3bj2 h THR 39 N 0.00 0.00 -0.05 1.86 1.35 -1.66 -3.32 112.91 111.08 3bj2 h THR 39 Ca 0.23 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 3bj2 h THR 39 Cb 1.22 1.43 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3bj2 h THR 39 CO -0.00 0.00 -0.06 0.11 -0.25 0.00 0.00 175.52 175.32 3bj2 h LYS 40 N 0.00 0.07 -0.87 4.72 1.57 -1.55 -2.62 116.57 117.90 3bj2 h LYS 40 Ca 0.00 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 58.94 3bj2 h LYS 40 Cb 0.77 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 3bj2 h LYS 40 CO 0.00 0.14 0.57 0.00 -0.57 0.00 0.00 179.45 179.59 3bj2 h THR 41 N 0.07 0.75 0.00 -0.16 1.03 -1.77 0.81 112.91 113.64 3bj2 h THR 41 Ca 0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 3bj2 h THR 41 Cb 0.16 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 67.43 3bj2 h THR 41 CO 0.01 0.09 0.00 -1.22 -0.01 0.00 0.00 175.52 174.39 3bj2 n TYR 42 N -4.53 0.41 -1.96 0.00 4.01 -0.99 -3.56 117.16 110.55 3bj2 n TYR 42 Ca 0.18 0.16 0.04 0.00 -0.16 0.00 0.00 57.90 58.12 3bj2 n TYR 42 Cb 0.58 -0.76 0.07 0.00 -0.31 0.00 0.00 39.34 38.92 3bj2 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3bj2 n PHE 43 N -1.88 0.00 0.38 -0.72 3.72 0.22 -4.86 117.46 114.33 3bj2 n PHE 43 Ca 0.03 -0.63 0.03 0.00 -0.05 0.00 0.00 57.45 56.83 3bj2 n PHE 43 Cb 0.20 -0.14 0.18 0.00 -0.94 0.00 0.00 39.48 38.78 3bj2 n PHE 43 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3bj2 n SER 44 N -0.26 0.00 -0.91 4.37 3.41 -0.88 -1.03 113.62 118.32 3bj2 n SER 44 Ca 0.08 -0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.67 3bj2 n SER 44 Cb 0.85 -0.06 0.26 0.00 -0.26 0.00 0.00 64.21 65.00 3bj2 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bj2 n HIS 45 N -1.06 0.57 -3.76 7.33 1.44 -1.26 -4.80 115.22 113.68 3bj2 n HIS 45 Ca 0.04 -0.28 -0.37 0.00 -2.01 0.00 0.00 57.72 55.10 3bj2 n HIS 45 Cb 0.03 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.01 3bj2 n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3bj2 s TRP 46 N -1.43 3.11 0.10 -1.40 0.51 -0.20 -4.99 118.94 114.64 3bj2 s TRP 46 Ca 0.35 -0.76 0.22 0.00 -2.12 0.00 0.00 56.10 53.80 3bj2 s TRP 46 Cb 0.19 -2.25 0.79 0.00 -0.81 0.00 0.00 33.47 31.40 3bj2 s TRP 46 CO 0.26 -0.49 1.77 0.87 -0.51 0.00 0.00 176.95 178.85 3bj2 h LYS 47 N 8.24 0.00 -4.41 4.98 1.79 -1.88 -3.41 116.57 121.87 3bj2 h LYS 47 Ca -0.35 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.50 3bj2 h LYS 47 Cb 1.15 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.41 3bj2 h LYS 47 CO 0.60 0.26 -0.77 0.34 -1.08 0.00 0.00 179.45 178.80 3bj2 s ASP 48 N -6.25 4.17 0.00 0.86 -1.08 -1.26 -4.98 116.67 108.13 3bj2 s ASP 48 Ca 0.01 -1.48 0.22 0.00 -0.52 0.00 0.00 52.55 50.77 3bj2 s ASP 48 Cb 0.10 -1.30 0.52 0.00 -1.46 0.00 0.00 42.92 40.78 3bj2 s ASP 48 CO 0.65 -0.28 1.44 0.18 0.52 0.00 0.00 175.17 177.69 3bj2 n LEU 49 N 4.56 2.97 -4.78 -1.34 4.77 -1.26 -4.67 117.00 117.26 3bj2 n LEU 49 Ca -0.08 -1.32 -0.36 0.00 -0.03 0.00 0.00 56.01 54.22 3bj2 n LEU 49 Cb 0.43 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3bj2 n LEU 49 CO 0.18 0.66 0.79 -0.94 -1.33 0.00 0.00 177.39 176.76 3bj2 s SER 50 N -1.40 6.27 0.00 -1.43 1.04 -1.26 -4.66 113.70 112.26 3bj2 s SER 50 Ca 0.37 2.19 0.11 0.00 0.48 0.00 0.00 55.95 59.10 3bj2 s SER 50 Cb 0.21 -2.59 0.61 0.00 0.10 0.00 0.00 66.02 64.34 3bj2 s SER 50 CO 0.29 -0.84 1.11 -0.81 0.98 0.00 0.00 173.24 173.98 3bj2 n PRO 51 N -0.52 0.29 0.00 4.02 -0.04 -1.26 -1.43 135.00 136.05 3bj2 n PRO 51 Ca 0.07 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.67 3bj2 n PRO 51 Cb 0.49 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 3bj2 n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bj2 n GLY 52 N -0.35 0.27 3.77 0.55 0.00 -1.26 -4.38 105.19 103.78 3bj2 n GLY 52 Ca 0.07 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3bj2 n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bj2 s SER 53 N -1.42 5.77 0.17 1.61 1.04 -0.52 -4.87 113.70 115.49 3bj2 s SER 53 Ca 0.20 2.21 -0.14 0.00 0.48 0.00 0.00 55.95 58.70 3bj2 s SER 53 Cb 0.14 -2.59 0.12 0.00 0.10 0.00 0.00 66.02 63.79 3bj2 s SER 53 CO 0.21 -1.19 1.76 0.00 0.98 0.00 0.00 173.24 175.00 3bj2 h ALA 54 N 1.33 0.53 -0.31 5.32 0.00 -1.89 -1.87 119.26 122.37 3bj2 h ALA 54 Ca -0.50 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3bj2 h ALA 54 Cb 1.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3bj2 h ALA 54 CO 0.57 -0.22 -0.04 -1.35 0.00 0.00 0.00 179.25 178.21 3bj2 h PRO 55 N 0.34 0.50 -0.04 0.00 0.11 -1.93 -1.10 132.00 129.89 3bj2 h PRO 55 Ca 0.20 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 3bj2 h PRO 55 Cb 0.18 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.23 3bj2 h PRO 55 CO -0.20 0.56 -0.40 0.28 -0.21 0.00 0.00 178.00 178.04 3bj2 h VAL 56 N 0.47 1.45 -0.32 3.15 2.07 -1.79 -0.26 116.25 121.02 3bj2 h VAL 56 Ca 0.10 -1.88 0.07 0.00 0.82 0.00 0.00 66.70 65.81 3bj2 h VAL 56 Cb 0.38 2.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 3bj2 h VAL 56 CO 0.02 0.54 -0.23 0.78 0.02 0.00 0.00 177.57 178.69 3bj2 h ASN 57 N -0.19 -0.76 -0.13 0.57 2.35 -1.34 0.18 115.58 116.26 3bj2 h ASN 57 Ca -0.04 0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 3bj2 h ASN 57 Cb 1.09 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 3bj2 h ASN 57 CO 0.08 -0.26 -0.35 0.11 -1.65 0.00 0.00 177.43 175.36 3bj2 h LYS 58 N -0.20 0.64 -0.02 0.81 6.56 -1.18 -2.67 116.57 120.51 3bj2 h LYS 58 Ca 0.16 -0.30 -0.14 0.00 -1.06 0.00 0.00 60.65 59.31 3bj2 h LYS 58 Cb 0.45 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.09 3bj2 h LYS 58 CO -0.44 0.89 -0.64 1.25 -2.06 0.00 0.00 179.45 178.46 3bj2 h HIS 59 N 0.54 0.12 -0.86 -1.35 2.76 -0.95 -3.07 115.15 112.33 3bj2 h HIS 59 Ca 0.06 -0.05 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 3bj2 h HIS 59 Cb 0.85 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.74 3bj2 h HIS 59 CO 0.04 0.70 0.57 0.78 -1.30 0.00 0.00 177.93 178.71 3bj2 h GLY 60 N 1.76 1.23 1.00 5.26 0.00 -0.50 -1.53 103.07 110.31 3bj2 h GLY 60 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3bj2 h GLY 60 CO 0.09 0.33 0.37 0.50 0.00 0.00 0.00 176.54 177.83 3bj2 h LYS 61 N 1.03 0.74 -0.46 4.80 1.57 -1.40 -2.28 116.57 120.56 3bj2 h LYS 61 Ca 0.36 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3bj2 h LYS 61 Cb 0.11 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3bj2 h LYS 61 CO -0.12 0.50 0.23 1.15 -0.57 0.00 0.00 179.45 180.64 3bj2 h THR 62 N 0.76 1.18 -0.04 -0.16 2.02 -1.32 0.29 112.91 115.63 3bj2 h THR 62 Ca 0.20 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3bj2 h THR 62 Cb -0.08 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3bj2 h THR 62 CO -0.04 0.20 0.03 0.40 0.37 0.00 0.00 175.52 176.47 3bj2 h ILE 63 N 0.61 1.02 -0.44 3.11 1.08 -1.23 0.26 117.51 121.91 3bj2 h ILE 63 Ca 0.16 -0.05 -0.03 0.00 -0.39 0.00 0.00 64.86 64.55 3bj2 h ILE 63 Cb 0.10 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 3bj2 h ILE 63 CO -0.02 0.02 0.14 0.24 -0.69 0.00 0.00 178.15 177.84 3bj2 h MET 64 N 0.05 0.64 -0.85 2.37 2.86 -1.26 -0.60 114.93 118.14 3bj2 h MET 64 Ca 0.02 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3bj2 h MET 64 Cb 0.01 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 3bj2 h MET 64 CO -0.00 0.56 0.44 0.78 1.06 0.00 0.00 176.91 179.75 3bj2 h GLY 65 N 0.82 1.29 1.20 8.32 0.00 -0.41 -0.05 103.07 114.24 3bj2 h GLY 65 Ca 0.15 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 3bj2 h GLY 65 CO -0.01 0.58 0.01 -1.33 0.00 0.00 0.00 176.54 175.79 3bj2 h GLY 66 N 1.22 1.04 1.54 4.60 0.00 0.11 -1.76 103.07 109.83 3bj2 h GLY 66 Ca 0.30 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3bj2 h GLY 66 CO -0.04 0.68 -0.21 1.41 0.00 0.00 0.00 176.54 178.38 3bj2 h LEU 67 N 0.89 0.53 -0.76 3.11 3.38 -1.04 -1.59 115.31 119.83 3bj2 h LEU 67 Ca 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3bj2 h LEU 67 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3bj2 h LEU 67 CO 0.02 0.75 0.35 0.58 0.09 0.00 0.00 178.44 180.24 3bj2 h VAL 68 N 0.48 1.25 -0.45 1.22 2.07 -0.77 -0.69 116.25 119.35 3bj2 h VAL 68 Ca 0.08 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3bj2 h VAL 68 Cb 0.63 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3bj2 h VAL 68 CO 0.04 0.30 0.27 -0.78 0.02 0.00 0.00 177.57 177.42 3bj2 h ASP 69 N 1.08 0.44 -0.60 0.57 3.58 -1.18 -1.29 116.42 119.02 3bj2 h ASP 69 Ca 0.26 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.76 3bj2 h ASP 69 Cb 0.14 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 3bj2 h ASP 69 CO -0.03 0.32 0.33 0.00 -2.88 0.00 0.00 179.24 176.98 3bj2 h ALA 70 N 1.20 0.79 -0.50 -0.78 0.00 -1.04 0.86 119.26 119.80 3bj2 h ALA 70 Ca 0.18 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3bj2 h ALA 70 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3bj2 h ALA 70 CO -0.08 0.02 0.30 0.28 0.00 0.00 0.00 179.25 179.77 3bj2 h VAL 71 N 0.64 1.05 -0.73 0.00 2.07 -0.89 0.29 116.25 118.67 3bj2 h VAL 71 Ca 0.26 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3bj2 h VAL 71 Cb 0.13 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3bj2 h VAL 71 CO -0.15 0.11 0.49 0.00 0.02 0.00 0.00 177.57 178.03 3bj2 h ALA 72 N 1.22 1.51 -0.59 1.67 0.00 -0.85 -2.80 119.26 119.42 3bj2 h ALA 72 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bj2 h ALA 72 Cb 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3bj2 h ALA 72 CO -0.09 0.44 0.00 0.43 0.00 0.00 0.00 179.25 180.03 3bj2 n SER 73 N -4.43 5.20 0.21 0.00 7.64 0.26 -4.72 113.62 117.79 3bj2 n SER 73 Ca 0.08 -2.73 0.18 0.00 1.01 0.00 0.00 58.87 57.42 3bj2 n SER 73 Cb 0.06 -0.63 0.80 0.00 -1.01 0.00 0.00 64.21 63.44 3bj2 n SER 73 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3bj2 h ILE 74 N 3.88 0.24 0.00 0.44 2.10 -0.67 -0.21 117.51 123.29 3bj2 h ILE 74 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3bj2 h ILE 74 Cb 1.72 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 3bj2 h ILE 74 CO 0.36 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 177.87 3bj2 h ASP 75 N 0.00 0.00 -1.06 2.19 3.45 -1.86 -3.39 116.42 115.75 3bj2 h ASP 75 Ca 0.10 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.40 3bj2 h ASP 75 Cb 0.79 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 39.39 3bj2 h ASP 75 CO -0.00 0.00 -0.51 -0.62 -1.57 0.00 0.00 179.24 176.54 3bj2 s ASP 76 N -5.69 -1.33 0.26 6.45 3.68 -0.10 -5.02 116.67 114.91 3bj2 s ASP 76 Ca 0.05 -1.71 -0.04 0.00 2.13 0.00 0.00 52.55 52.99 3bj2 s ASP 76 Cb 0.07 1.81 0.32 0.00 -1.45 0.00 0.00 42.92 43.67 3bj2 s ASP 76 CO 0.60 -0.07 1.83 -0.07 0.13 0.00 0.00 175.17 177.59 3bj2 h LEU 77 N 5.21 0.91 -0.23 -1.34 3.38 -1.74 -1.21 115.31 120.30 3bj2 h LEU 77 Ca 0.07 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3bj2 h LEU 77 Cb 1.11 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 3bj2 h LEU 77 CO 0.03 0.83 -0.11 0.78 0.09 0.00 0.00 178.44 180.07 3bj2 h ASN 78 N 0.97 -0.36 -0.30 -0.43 4.21 -1.89 0.41 115.58 118.20 3bj2 h ASN 78 Ca 0.22 0.09 -0.17 0.00 1.21 0.00 0.00 56.30 57.65 3bj2 h ASN 78 Cb 0.22 0.20 -0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3bj2 h ASN 78 CO -0.02 -0.14 -0.47 0.00 -1.29 0.00 0.00 177.43 175.51 3bj2 h ALA 79 N 1.12 0.55 -0.28 -0.83 0.00 -1.92 -3.28 119.26 114.61 3bj2 h ALA 79 Ca 0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3bj2 h ALA 79 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3bj2 h ALA 79 CO -0.28 0.68 -0.23 0.78 0.00 0.00 0.00 179.25 180.20 3bj2 h GLY 80 N 0.77 0.58 -2.97 0.00 0.00 -0.65 -3.22 103.07 97.58 3bj2 h GLY 80 Ca 0.04 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3bj2 h GLY 80 CO 0.11 0.43 0.00 1.04 0.00 0.00 0.00 176.54 178.12 3bj2 n LEU 81 N -4.13 4.95 -0.10 3.11 4.77 0.14 -4.75 117.00 120.98 3bj2 n LEU 81 Ca -0.00 -2.69 -0.06 0.00 -0.03 0.00 0.00 56.01 53.24 3bj2 n LEU 81 Cb 0.40 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 3bj2 n LEU 81 CO 0.42 0.73 0.90 0.25 -1.33 0.00 0.00 177.39 178.36 3bj2 h LEU 82 N 3.66 0.00 -0.58 2.23 5.85 -1.61 0.21 115.31 125.08 3bj2 h LEU 82 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3bj2 h LEU 82 Cb 1.62 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 3bj2 h LEU 82 CO 0.32 0.04 0.38 0.00 -0.34 0.00 0.00 178.44 178.83 3bj2 h ALA 83 N 1.27 0.73 -0.73 1.25 0.00 -1.88 -0.75 119.26 119.15 3bj2 h ALA 83 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3bj2 h ALA 83 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3bj2 h ALA 83 CO -0.23 0.18 0.31 -0.07 0.00 0.00 0.00 179.25 179.44 3bj2 h LEU 84 N 0.78 0.98 0.21 0.00 3.38 -1.71 -1.37 115.31 117.58 3bj2 h LEU 84 Ca 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3bj2 h LEU 84 Cb -0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 3bj2 h LEU 84 CO -0.04 0.86 -0.13 -1.28 0.09 0.00 0.00 178.44 177.93 3bj2 h SER 85 N 1.06 -0.32 -0.89 -0.43 0.87 -0.10 -1.80 113.55 111.94 3bj2 h SER 85 Ca 0.25 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.92 3bj2 h SER 85 Cb 0.17 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.16 3bj2 h SER 85 CO -0.03 -0.21 0.58 -0.33 -0.53 0.00 0.00 176.83 176.31 3bj2 h GLU 86 N -0.33 0.88 -0.02 2.24 5.08 -1.02 -0.22 114.58 121.19 3bj2 h GLU 86 Ca -0.02 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3bj2 h GLU 86 Cb 0.28 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3bj2 h GLU 86 CO 0.02 0.59 -0.07 1.25 -1.00 0.00 0.00 179.01 179.80 3bj2 h LEU 87 N 0.91 -0.20 -0.39 1.33 5.85 -1.12 0.39 115.31 122.08 3bj2 h LEU 87 Ca 0.41 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 59.04 3bj2 h LEU 87 Cb 0.36 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3bj2 h LEU 87 CO -0.17 -0.10 -0.55 0.45 -0.34 0.00 0.00 178.44 177.73 3bj2 h HIS 88 N -0.11 0.00 0.07 1.25 3.86 -0.84 -2.07 115.15 117.31 3bj2 h HIS 88 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3bj2 h HIS 88 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 3bj2 h HIS 88 CO -0.15 0.55 -0.03 0.00 0.86 0.00 0.00 177.93 179.17 3bj2 h ALA 89 N 1.45 -0.09 0.00 2.45 0.00 -0.99 0.31 119.26 122.38 3bj2 h ALA 89 Ca -0.01 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 3bj2 h ALA 89 Cb 1.26 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 3bj2 h ALA 89 CO 0.07 -0.19 -1.98 1.19 0.00 0.00 0.00 179.25 178.34 3bj2 n PHE 90 N -4.81 0.00 -0.03 0.00 3.01 0.14 -2.19 117.46 113.58 3bj2 n PHE 90 Ca -0.08 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.23 3bj2 n PHE 90 Cb 0.31 -0.69 -0.12 0.00 -0.01 0.00 0.00 39.48 38.96 3bj2 n PHE 90 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3bj2 h THR 91 N 0.00 1.63 0.00 4.37 2.02 -1.59 -3.40 112.91 115.94 3bj2 h THR 91 Ca -0.39 -2.13 -0.15 0.00 0.77 0.00 0.00 66.41 64.51 3bj2 h THR 91 Cb 1.80 3.04 -0.03 0.00 -1.74 0.00 0.00 68.15 71.22 3bj2 h THR 91 CO -0.00 0.57 -1.90 0.18 0.37 0.00 0.00 175.52 174.74 3bj2 n LEU 92 N -4.52 0.26 -3.03 2.58 4.77 -0.81 -5.04 117.00 111.21 3bj2 n LEU 92 Ca -0.10 0.11 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 3bj2 n LEU 92 Cb 0.52 0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.79 3bj2 n LEU 92 CO 0.38 0.17 -0.19 -1.14 -1.33 0.00 0.00 177.39 175.27 3bj2 n ARG 93 N -2.58 -1.27 -3.30 3.23 3.00 -0.83 -4.94 116.66 109.97 3bj2 n ARG 93 Ca -0.14 0.82 -0.38 0.00 -0.00 0.00 0.00 57.85 58.15 3bj2 n ARG 93 Cb 0.81 -1.47 -0.06 0.00 0.00 0.00 0.00 32.46 31.73 3bj2 n ARG 93 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3bj2 s VAL 94 N -1.67 5.16 -0.18 5.15 1.01 0.10 -4.99 120.40 124.98 3bj2 s VAL 94 Ca 0.17 0.93 -0.32 0.00 0.00 0.00 0.00 61.98 62.76 3bj2 s VAL 94 Cb -0.02 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 3bj2 s VAL 94 CO 0.63 0.26 2.09 -0.67 0.00 0.00 0.00 175.10 177.42 3bj2 n ASP 95 N 4.17 3.18 0.00 3.32 -0.08 -1.26 -4.77 116.55 121.11 3bj2 n ASP 95 Ca -0.06 0.54 0.05 0.00 -1.51 0.00 0.00 54.79 53.81 3bj2 n ASP 95 Cb 0.51 -1.44 0.26 0.00 2.34 0.00 0.00 41.12 42.79 3bj2 n ASP 95 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3bj2 n PRO 96 N 7.92 0.24 0.05 -0.67 -0.04 -1.26 -0.94 135.00 140.30 3bj2 n PRO 96 Ca 0.29 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.91 3bj2 n PRO 96 Cb 0.35 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.71 3bj2 n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bj2 n ALA 97 N -1.09 1.74 0.45 0.55 0.00 -1.26 -3.15 120.51 117.74 3bj2 n ALA 97 Ca 0.06 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.62 3bj2 n ALA 97 Cb 0.04 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 18.43 3bj2 n ALA 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3bj2 h ASN 98 N 0.00 0.00 -0.69 0.00 2.35 -1.41 -3.36 115.58 112.47 3bj2 h ASN 98 Ca 0.00 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3bj2 h ASN 98 Cb 0.33 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 3bj2 h ASN 98 CO 0.00 0.02 0.43 -0.26 -1.65 0.00 0.00 177.43 175.97 3bj2 h PHE 99 N 0.00 0.80 -0.05 1.19 0.04 -1.75 -2.73 116.94 114.45 3bj2 h PHE 99 Ca 0.00 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3bj2 h PHE 99 Cb 0.84 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 3bj2 h PHE 99 CO 0.00 0.46 -0.35 1.57 -0.60 0.00 0.00 178.31 179.39 3bj2 h LYS 100 N 0.84 0.09 0.33 1.51 2.10 -1.81 -2.03 116.57 117.60 3bj2 h LYS 100 Ca 0.28 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.89 3bj2 h LYS 100 Cb 0.02 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 3bj2 h LYS 100 CO -0.11 0.43 -0.24 0.82 -2.00 0.00 0.00 179.45 178.35 3bj2 h ILE 101 N 0.08 0.50 -0.62 0.07 2.04 -1.70 -0.93 117.51 116.95 3bj2 h ILE 101 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3bj2 h ILE 101 Cb 0.65 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3bj2 h ILE 101 CO 0.05 0.00 0.41 0.25 0.00 0.00 0.00 178.15 178.85 3bj2 h LEU 102 N -0.56 0.71 -0.47 1.44 5.85 -1.39 -1.68 115.31 119.21 3bj2 h LEU 102 Ca -0.03 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3bj2 h LEU 102 Cb 0.48 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 3bj2 h LEU 102 CO 0.01 0.52 0.16 0.28 -0.34 0.00 0.00 178.44 179.07 3bj2 h SER 103 N 0.84 0.16 -0.74 1.25 0.02 -1.24 -0.33 113.55 113.50 3bj2 h SER 103 Ca 0.23 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 3bj2 h SER 103 Cb -0.09 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 3bj2 h SER 103 CO -0.05 0.12 0.44 -0.74 -1.14 0.00 0.00 176.83 175.46 3bj2 h HIS 104 N 0.33 0.81 -0.33 3.45 -0.00 -0.73 -1.18 115.15 117.50 3bj2 h HIS 104 Ca 0.22 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.49 3bj2 h HIS 104 Cb 0.23 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3bj2 h HIS 104 CO -0.16 0.41 -0.32 0.00 -0.00 0.00 0.00 177.93 177.86 3bj2 h ILE 106 N 0.61 1.06 -0.38 0.00 2.04 -0.92 -0.60 117.51 119.32 3bj2 h ILE 106 Ca 0.07 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3bj2 h ILE 106 Cb 0.84 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3bj2 h ILE 106 CO 0.07 0.06 0.14 -0.07 0.00 0.00 0.00 178.15 178.36 3bj2 h LEU 107 N 0.28 0.17 0.03 1.44 3.38 -0.85 0.27 115.31 120.03 3bj2 h LEU 107 Ca 0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3bj2 h LEU 107 Cb -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3bj2 h LEU 107 CO -0.02 0.13 -0.04 0.58 0.09 0.00 0.00 178.44 179.19 3bj2 h VAL 108 N 0.31 0.91 -0.18 1.22 2.07 -0.79 0.29 116.25 120.07 3bj2 h VAL 108 Ca 0.17 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.73 3bj2 h VAL 108 Cb 0.14 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 3bj2 h VAL 108 CO -0.17 0.00 -0.02 -0.61 0.02 0.00 0.00 177.57 176.79 3bj2 h GLN 109 N -0.09 0.03 -0.96 1.57 5.75 -0.87 -1.71 115.11 118.84 3bj2 h GLN 109 Ca 0.00 -0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.59 3bj2 h GLN 109 Cb 0.09 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.56 3bj2 h GLN 109 CO -0.02 0.02 0.60 -0.07 -2.65 0.00 0.00 178.83 176.71 3bj2 h LEU 110 N 0.03 0.91 -1.23 -2.39 3.38 -0.11 -2.23 115.31 113.67 3bj2 h LEU 110 Ca 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3bj2 h LEU 110 Cb 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3bj2 h LEU 110 CO -0.16 0.54 0.34 0.00 0.09 0.00 0.00 178.44 179.24 3bj2 h ALA 111 N 1.48 1.41 -0.01 1.53 0.00 -0.07 0.40 119.26 124.00 3bj2 h ALA 111 Ca 0.44 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3bj2 h ALA 111 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3bj2 h ALA 111 CO -0.22 0.48 -0.53 -0.39 0.00 0.00 0.00 179.25 178.59 3bj2 h VAL 112 N 0.87 1.38 0.05 0.00 -1.51 -0.76 -2.91 116.25 113.37 3bj2 h VAL 112 Ca 0.22 -1.82 -0.38 0.00 -1.23 0.00 0.00 66.70 63.50 3bj2 h VAL 112 Cb 0.03 1.97 -0.05 0.00 -2.13 0.00 0.00 31.29 31.12 3bj2 h VAL 112 CO -0.04 0.52 -2.27 0.29 -1.23 0.00 0.00 177.57 174.85 3bj2 n LYS 113 N -3.91 0.69 -2.81 5.19 5.02 -1.03 -4.67 118.16 116.65 3bj2 n LYS 113 Ca -0.01 0.19 -0.26 0.00 -2.02 0.00 0.00 58.31 56.21 3bj2 n LYS 113 Cb 0.54 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3bj2 n LYS 113 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3bj2 n PHE 114 N -3.32 3.46 0.27 2.13 3.72 0.14 -4.93 117.46 118.92 3bj2 n PHE 114 Ca -0.39 -3.67 0.10 0.00 -0.05 0.00 0.00 57.45 53.44 3bj2 n PHE 114 Cb 1.02 -0.36 0.72 0.00 -0.94 0.00 0.00 39.48 39.93 3bj2 n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3bj2 h PRO 115 N 2.86 0.00 0.00 -1.08 0.13 -1.71 -2.09 132.00 130.11 3bj2 h PRO 115 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 3bj2 h PRO 115 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 3bj2 h PRO 115 CO 0.79 0.03 -0.12 0.87 -0.23 0.00 0.00 178.00 179.34 3bj2 h LYS 116 N 0.00 0.00 0.00 0.86 1.57 -1.92 -2.48 116.57 114.60 3bj2 h LYS 116 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bj2 h LYS 116 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3bj2 h LYS 116 CO 0.00 0.12 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.57 3bj2 h ASP 117 N 0.00 0.00 -0.19 0.86 5.19 -1.79 -3.37 116.42 117.13 3bj2 h ASP 117 Ca -0.00 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.94 3bj2 h ASP 117 Cb 0.56 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 3bj2 h ASP 117 CO 0.02 0.00 1.72 0.49 -3.12 0.00 0.00 179.24 178.35 3bj2 n PHE 118 N -3.10 1.38 -1.30 4.55 3.01 -0.94 -4.60 117.46 116.47 3bj2 n PHE 118 Ca 0.03 -2.33 -0.31 0.00 1.01 0.00 0.00 57.45 55.85 3bj2 n PHE 118 Cb 0.43 -1.98 0.09 0.00 -0.01 0.00 0.00 39.48 38.01 3bj2 n PHE 118 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3bj2 s THR 119 N 1.05 3.33 0.30 4.37 -4.23 -1.26 -4.83 115.64 114.37 3bj2 s THR 119 Ca 0.67 0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 61.61 3bj2 s THR 119 Cb 0.25 -2.94 0.27 0.00 1.34 0.00 0.00 72.50 71.42 3bj2 s THR 119 CO -0.05 -0.55 1.96 -0.65 -0.54 0.00 0.00 174.62 174.79 3bj2 h PRO 120 N -1.03 1.05 -0.13 3.99 0.11 -1.99 -0.17 132.00 133.82 3bj2 h PRO 120 Ca -0.44 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 3bj2 h PRO 120 Cb 1.23 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3bj2 h PRO 120 CO 0.52 0.69 -0.72 0.93 -0.21 0.00 0.00 178.00 179.21 3bj2 h GLU 121 N 1.08 0.59 -0.19 1.05 5.08 -1.96 -1.57 114.58 118.66 3bj2 h GLU 121 Ca 0.31 -0.46 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3bj2 h GLU 121 Cb -0.06 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3bj2 h GLU 121 CO -0.08 1.09 0.10 0.28 -1.00 0.00 0.00 179.01 179.40 3bj2 h VAL 122 N 0.41 1.11 -0.56 3.13 2.07 -1.81 -2.51 116.25 118.09 3bj2 h VAL 122 Ca -0.03 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.25 3bj2 h VAL 122 Cb 1.31 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3bj2 h VAL 122 CO 0.14 0.10 0.27 -0.74 0.02 0.00 0.00 177.57 177.36 3bj2 h HIS 123 N 0.20 0.48 -0.56 1.57 -0.00 -0.94 -1.62 115.15 114.28 3bj2 h HIS 123 Ca 0.07 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.54 3bj2 h HIS 123 Cb 0.07 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.29 3bj2 h HIS 123 CO -0.04 0.21 0.22 1.25 -0.00 0.00 0.00 177.93 179.58 3bj2 h LEU 124 N 0.51 0.25 -0.38 0.26 5.85 -1.17 -0.23 115.31 120.40 3bj2 h LEU 124 Ca 0.25 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3bj2 h LEU 124 Cb 0.20 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3bj2 h LEU 124 CO -0.20 0.16 0.20 0.28 -0.34 0.00 0.00 178.44 178.54 3bj2 h SER 125 N 0.42 0.48 -0.38 1.25 0.02 -1.05 -0.88 113.55 113.41 3bj2 h SER 125 Ca 0.27 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3bj2 h SER 125 Cb 0.29 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3bj2 h SER 125 CO -0.26 0.45 0.19 1.88 -1.14 0.00 0.00 176.83 177.95 3bj2 h TYR 126 N 0.48 0.53 -0.55 3.45 0.05 -1.00 0.04 116.97 119.97 3bj2 h TYR 126 Ca 0.13 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3bj2 h TYR 126 Cb 0.08 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 3bj2 h TYR 126 CO -0.02 0.43 0.20 0.22 -1.05 0.00 0.00 178.16 177.94 3bj2 h ASP 127 N 0.47 0.78 -0.81 3.88 3.58 -0.98 -0.89 116.42 122.46 3bj2 h ASP 127 Ca 0.13 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.42 3bj2 h ASP 127 Cb 0.09 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 40.89 3bj2 h ASP 127 CO -0.02 0.75 0.52 0.11 -2.88 0.00 0.00 179.24 177.73 3bj2 h LYS 128 N 0.76 1.01 0.49 0.28 1.57 -0.92 -1.01 116.57 118.75 3bj2 h LYS 128 Ca 0.18 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 3bj2 h LYS 128 Cb 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3bj2 h LYS 128 CO -0.01 0.67 -0.31 0.35 -0.57 0.00 0.00 179.45 179.57 3bj2 h PHE 129 N 1.04 -0.83 0.00 -1.35 3.57 -0.67 -1.91 116.94 116.79 3bj2 h PHE 129 Ca 0.31 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3bj2 h PHE 129 Cb -0.05 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3bj2 h PHE 129 CO -0.02 -0.48 -0.20 0.74 -2.23 0.00 0.00 178.31 176.12 3bj2 h PHE 130 N -0.77 0.00 -0.44 0.41 0.04 -1.10 -1.75 116.94 113.32 3bj2 h PHE 130 Ca -0.06 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.58 3bj2 h PHE 130 Cb 0.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.78 3bj2 h PHE 130 CO -0.10 0.20 -0.25 1.03 -0.60 0.00 0.00 178.31 178.59 3bj2 h SER 131 N 0.00 0.98 -0.42 2.17 0.87 -1.05 -1.82 113.55 114.28 3bj2 h SER 131 Ca -0.00 -0.42 -0.13 0.00 -1.23 0.00 0.00 61.79 60.01 3bj2 h SER 131 Cb 0.38 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3bj2 h SER 131 CO 0.03 1.18 -0.22 0.00 -0.53 0.00 0.00 176.83 177.29 3bj2 h ALA 132 N 0.83 0.75 -0.05 6.23 0.00 -0.99 -1.11 119.26 124.92 3bj2 h ALA 132 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3bj2 h ALA 132 Cb 0.83 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3bj2 h ALA 132 CO 0.07 0.66 0.03 0.28 0.00 0.00 0.00 179.25 180.29 3bj2 h VAL 133 N 0.80 1.06 -0.87 0.00 2.07 -1.28 -0.47 116.25 117.56 3bj2 h VAL 133 Ca 0.11 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3bj2 h VAL 133 Cb 0.78 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3bj2 h VAL 133 CO 0.06 0.05 0.57 0.00 0.02 0.00 0.00 177.57 178.28 3bj2 h ALA 134 N 0.95 1.11 -0.38 1.67 0.00 -1.20 0.09 119.26 121.50 3bj2 h ALA 134 Ca 0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3bj2 h ALA 134 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3bj2 h ALA 134 CO -0.00 0.48 -0.07 -0.09 0.00 0.00 0.00 179.25 179.57 3bj2 h ARG 135 N 1.16 0.72 -0.79 0.00 2.43 -1.07 -1.18 114.38 115.64 3bj2 h ARG 135 Ca 0.33 -0.26 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 3bj2 h ARG 135 Cb -0.10 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 3bj2 h ARG 135 CO -0.08 0.85 0.44 0.00 -1.51 0.00 0.00 179.97 179.67 3bj2 h ALA 136 N 0.84 1.13 0.00 2.80 0.00 -0.74 -2.15 119.26 121.15 3bj2 h ALA 136 Ca 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3bj2 h ALA 136 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3bj2 h ALA 136 CO 0.03 0.04 -0.23 -0.07 0.00 0.00 0.00 179.25 179.02 3bj2 h LEU 137 N 0.72 0.00 0.00 0.00 3.38 -0.60 -2.70 115.31 116.11 3bj2 h LEU 137 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3bj2 h LEU 137 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3bj2 h LEU 137 CO -0.26 0.23 -0.17 0.00 0.09 0.00 0.00 178.44 178.33 3bj2 n ALA 138 N -2.25 2.58 -0.26 1.53 0.00 -0.48 -4.35 120.51 117.28 3bj2 n ALA 138 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3bj2 n ALA 138 Cb 0.41 -1.37 0.16 0.00 0.00 0.00 0.00 19.45 18.65 3bj2 n ALA 138 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3bj2 h GLU 139 N 0.00 0.11 -0.45 0.00 4.39 -1.09 -2.86 114.58 114.69 3bj2 h GLU 139 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3bj2 h GLU 139 Cb 0.61 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3bj2 h GLU 139 CO 0.00 0.07 0.00 1.63 -1.16 0.00 0.00 179.01 179.55 3bj2 n LYS 140 N -5.33 2.05 0.11 2.33 4.76 -1.26 -4.29 118.16 116.53 3bj2 n LYS 140 Ca 0.14 -1.56 -0.02 0.00 -2.87 0.00 0.00 58.31 54.00 3bj2 n LYS 140 Cb 0.48 -1.36 0.21 0.00 -1.84 0.00 0.00 35.03 32.52 3bj2 n LYS 140 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 3bj2 h TYR 141 N 2.51 0.19 0.00 2.13 -1.99 -1.80 -3.47 116.97 114.54 3bj2 h TYR 141 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 3bj2 h TYR 141 Cb 0.61 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.30 3bj2 h TYR 141 CO 0.30 0.62 0.00 2.89 -0.00 0.00 0.00 178.16 181.98