#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jeb s LEU 2 N 0.00 2.87 1.09 1.04 1.02 -1.26 -5.07 118.68 118.37 1jeb s LEU 2 Ca 0.00 -0.35 -0.13 0.00 0.02 0.00 0.00 54.13 53.67 1jeb s LEU 2 Cb 0.00 -1.70 0.24 0.00 0.02 0.00 0.00 46.19 44.74 1jeb s LEU 2 CO 0.00 0.05 1.07 0.42 0.02 0.00 0.00 176.35 177.91 1jeb s THR 3 N 1.03 1.97 0.12 5.49 -4.23 -1.26 -4.76 115.64 114.00 1jeb s THR 3 Ca 0.00 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 1jeb s THR 3 Cb -0.15 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1jeb s THR 3 CO -0.00 0.00 1.73 0.50 -0.54 0.00 0.00 174.62 176.31 1jeb h LYS 4 N -2.26 0.39 0.27 3.99 3.64 -1.99 -1.54 116.57 119.07 1jeb h LYS 4 Ca -0.57 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1jeb h LYS 4 Cb 1.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1jeb h LYS 4 CO 0.54 0.33 -0.31 1.15 -2.27 0.00 0.00 179.45 178.89 1jeb h THR 5 N 0.35 0.35 -0.97 1.00 2.02 -2.00 -0.91 112.91 112.76 1jeb h THR 5 Ca 0.10 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.46 1jeb h THR 5 Cb 0.04 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 66.72 1jeb h THR 5 CO -0.02 0.00 0.61 -0.33 0.37 0.00 0.00 175.52 176.15 1jeb h GLU 6 N -0.62 0.70 -0.61 6.66 5.08 -1.89 0.15 114.58 124.05 1jeb h GLU 6 Ca -0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1jeb h GLU 6 Cb 0.58 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1jeb h GLU 6 CO -0.09 0.46 0.02 0.00 -1.00 0.00 0.00 179.01 178.41 1jeb h ARG 7 N 0.72 1.06 -0.20 2.33 3.08 -0.52 -2.13 114.38 118.72 1jeb h ARG 7 Ca 0.52 -0.32 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 1jeb h ARG 7 Cb 0.86 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1jeb h ARG 7 CO -0.29 1.02 -0.45 1.79 -1.07 0.00 0.00 179.97 180.97 1jeb h THR 8 N 0.97 1.31 -0.34 2.04 1.35 0.31 -1.59 112.91 116.97 1jeb h THR 8 Ca 0.18 -1.63 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 1jeb h THR 8 Cb 0.53 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1jeb h THR 8 CO 0.03 0.51 0.06 0.40 -0.25 0.00 0.00 175.52 176.26 1jeb h ILE 9 N 0.40 1.17 -0.10 6.82 2.04 -0.86 0.34 117.51 127.32 1jeb h ILE 9 Ca 0.03 -0.63 -0.21 0.00 1.00 0.00 0.00 64.86 65.05 1jeb h ILE 9 Cb 0.94 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1jeb h ILE 9 CO 0.08 0.22 -0.75 0.40 0.00 0.00 0.00 178.15 178.11 1jeb h ILE 10 N 0.49 1.31 -0.19 -0.67 2.04 -1.05 -1.48 117.51 117.95 1jeb h ILE 10 Ca 0.11 -1.99 -0.04 0.00 1.00 0.00 0.00 64.86 63.94 1jeb h ILE 10 Cb 0.23 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1jeb h ILE 10 CO 0.00 0.62 -0.03 0.58 0.00 0.00 0.00 178.15 179.32 1jeb h VAL 11 N 0.37 1.28 0.22 1.67 2.07 -0.84 -0.29 116.25 120.73 1jeb h VAL 11 Ca -0.06 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1jeb h VAL 11 Cb 1.39 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1jeb h VAL 11 CO 0.15 0.30 -0.16 0.28 0.02 0.00 0.00 177.57 178.16 1jeb h SER 12 N 0.09 -0.40 -0.35 0.57 0.02 -0.39 -2.09 113.55 111.01 1jeb h SER 12 Ca 0.05 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1jeb h SER 12 Cb 0.46 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1jeb h SER 12 CO 0.02 -0.25 0.16 -0.03 -1.14 0.00 0.00 176.83 175.59 1jeb h MET 13 N -0.38 0.56 -0.62 3.45 -1.53 -1.28 -2.55 114.93 112.58 1jeb h MET 13 Ca -0.01 -0.07 -0.02 0.00 -3.44 0.00 0.00 59.70 56.15 1jeb h MET 13 Cb 0.33 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 1jeb h MET 13 CO -0.00 0.46 0.30 2.35 0.14 0.00 0.00 176.91 180.16 1jeb h TRP 14 N 0.56 0.89 -0.75 1.39 2.91 -0.58 -1.37 115.95 119.01 1jeb h TRP 14 Ca 0.14 -0.04 0.15 0.00 1.13 0.00 0.00 58.89 60.26 1jeb h TRP 14 Cb 0.11 -0.28 -0.10 0.00 -0.51 0.00 0.00 29.16 28.38 1jeb h TRP 14 CO 0.01 0.68 0.27 0.00 -1.03 0.00 0.00 178.44 178.36 1jeb h ALA 15 N 1.13 1.04 -0.27 2.65 0.00 -0.95 0.10 119.26 122.96 1jeb h ALA 15 Ca 0.21 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 1jeb h ALA 15 Cb 0.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jeb h ALA 15 CO -0.03 -0.25 -0.55 0.87 0.00 0.00 0.00 179.25 179.29 1jeb h LYS 16 N 0.39 0.85 -0.75 0.00 1.57 -1.49 -3.25 116.57 113.89 1jeb h LYS 16 Ca 0.42 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1jeb h LYS 16 Cb 0.66 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1jeb h LYS 16 CO -0.43 1.18 0.44 0.82 -0.57 0.00 0.00 179.45 180.90 1jeb h ILE 17 N 0.62 1.22 0.00 1.86 2.04 -0.06 -2.74 117.51 120.46 1jeb h ILE 17 Ca 0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1jeb h ILE 17 Cb 1.16 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1jeb h ILE 17 CO 0.12 0.23 0.00 0.77 0.00 0.00 0.00 178.15 179.27 1jeb h SER 18 N 1.03 0.00 0.38 1.72 4.64 -0.89 0.20 113.55 120.63 1jeb h SER 18 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1jeb h SER 18 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1jeb h SER 18 CO -0.05 0.00 -0.42 0.41 -0.87 0.00 0.00 176.83 175.90 1jeb n THR 19 N -2.98 0.00 -1.74 2.95 -1.04 -1.03 -3.77 114.28 106.67 1jeb n THR 19 Ca -0.03 -0.05 0.04 0.00 -2.04 0.00 0.00 64.05 61.97 1jeb n THR 19 Cb 0.07 0.34 0.05 0.00 -1.82 0.00 0.00 70.33 68.98 1jeb n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jeb n GLN 20 N -1.16 0.44 -0.25 -2.82 6.02 -0.42 -4.93 117.38 114.26 1jeb n GLN 20 Ca 0.08 -1.63 -0.06 0.00 -0.01 0.00 0.00 57.00 55.38 1jeb n GLN 20 Cb 0.34 -0.81 -0.01 0.00 1.02 0.00 0.00 30.24 30.78 1jeb n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jeb h ALA 21 N 0.10 -0.14 -0.41 -1.58 0.00 -0.77 0.32 119.26 116.79 1jeb h ALA 21 Ca -0.02 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jeb h ALA 21 Cb 1.30 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 19.98 1jeb h ALA 21 CO 0.01 -0.74 0.17 -0.44 0.00 0.00 0.00 179.25 178.24 1jeb h ASP 22 N -0.15 0.21 -0.22 0.00 5.19 -1.90 0.82 116.42 120.37 1jeb h ASP 22 Ca 0.23 0.04 -0.18 0.00 -0.62 0.00 0.00 57.03 56.50 1jeb h ASP 22 Cb 0.56 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 1jeb h ASP 22 CO -0.76 0.16 -0.53 0.71 -3.12 0.00 0.00 179.24 175.69 1jeb h THR 23 N 0.35 1.28 -0.48 0.35 1.35 -1.83 -2.08 112.91 111.85 1jeb h THR 23 Ca 0.18 -1.73 -0.06 0.00 -0.55 0.00 0.00 66.41 64.25 1jeb h THR 23 Cb 0.14 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1jeb h THR 23 CO -0.17 0.56 0.04 0.40 -0.25 0.00 0.00 175.52 176.11 1jeb h ILE 24 N 0.63 1.23 -0.22 6.82 2.04 -0.73 -0.41 117.51 126.86 1jeb h ILE 24 Ca 0.02 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1jeb h ILE 24 Cb 1.13 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1jeb h ILE 24 CO 0.12 0.32 -0.11 1.23 0.00 0.00 0.00 178.15 179.71 1jeb h GLY 25 N 0.95 0.51 0.96 5.37 0.00 -0.75 -2.02 103.07 108.08 1jeb h GLY 25 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1jeb h GLY 25 CO 0.01 0.41 0.06 -0.84 0.00 0.00 0.00 176.54 176.18 1jeb h THR 26 N 0.18 1.25 -0.77 4.70 2.02 -1.15 -2.50 112.91 116.63 1jeb h THR 26 Ca 0.05 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.27 1jeb h THR 26 Cb 0.60 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 1jeb h THR 26 CO 0.03 0.32 0.30 -0.08 0.37 0.00 0.00 175.52 176.46 1jeb h GLU 27 N 0.58 1.16 -0.39 6.66 4.81 -1.10 -1.06 114.58 125.24 1jeb h GLU 27 Ca 0.13 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1jeb h GLU 27 Cb 0.40 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1jeb h GLU 27 CO 0.01 0.95 0.25 1.15 -0.73 0.00 0.00 179.01 180.65 1jeb h THR 28 N 1.12 1.11 -0.46 0.32 2.02 -1.24 -1.14 112.91 114.64 1jeb h THR 28 Ca 0.26 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1jeb h THR 28 Cb 0.23 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1jeb h THR 28 CO -0.02 0.10 0.06 -0.07 0.37 0.00 0.00 175.52 175.97 1jeb h LEU 29 N 0.53 0.75 -0.71 2.58 3.38 -1.22 -1.57 115.31 119.04 1jeb h LEU 29 Ca 0.14 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1jeb h LEU 29 Cb -0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1jeb h LEU 29 CO -0.03 0.83 0.44 -0.33 0.09 0.00 0.00 178.44 179.44 1jeb h GLU 30 N 0.64 0.82 -0.60 1.13 5.08 -0.93 0.61 114.58 121.33 1jeb h GLU 30 Ca 0.14 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1jeb h GLU 30 Cb 0.41 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1jeb h GLU 30 CO 0.01 0.54 0.23 0.00 -1.00 0.00 0.00 179.01 178.79 1jeb h ARG 31 N 0.84 0.90 0.82 2.33 3.08 -1.04 -1.62 114.38 119.69 1jeb h ARG 31 Ca 0.29 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1jeb h ARG 31 Cb 0.05 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.97 1jeb h ARG 31 CO -0.12 0.78 -0.39 1.25 -1.07 0.00 0.00 179.97 180.41 1jeb h LEU 32 N 0.84 -0.93 -0.78 3.04 5.85 -0.47 -0.13 115.31 122.72 1jeb h LEU 32 Ca 0.20 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1jeb h LEU 32 Cb 0.22 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1jeb h LEU 32 CO -0.01 -0.65 0.48 -0.26 -0.34 0.00 0.00 178.44 177.66 1jeb h PHE 33 N -1.13 0.89 -0.16 1.25 0.04 -0.90 0.31 116.94 117.24 1jeb h PHE 33 Ca -0.11 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.55 1jeb h PHE 33 Cb 0.85 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1jeb h PHE 33 CO -0.01 0.47 -0.42 -0.07 -0.60 0.00 0.00 178.31 177.68 1jeb h LEU 34 N 0.90 0.64 0.00 1.54 3.38 -1.28 -2.74 115.31 117.75 1jeb h LEU 34 Ca 0.33 -0.58 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 1jeb h LEU 34 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jeb h LEU 34 CO -0.15 1.11 -0.49 0.28 0.09 0.00 0.00 178.44 179.28 1jeb h SER 35 N 0.20 0.00 -2.03 -0.43 0.02 -0.90 -3.38 113.55 107.02 1jeb h SER 35 Ca -0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.39 1jeb h SER 35 Cb 1.03 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.18 1jeb h SER 35 CO 0.09 0.41 -1.04 1.41 -1.14 0.00 0.00 176.83 176.56 1jeb n HIS 36 N -3.17 0.40 -0.48 3.45 8.25 0.11 -4.98 115.22 118.80 1jeb n HIS 36 Ca 0.02 -3.70 0.43 0.00 -0.26 0.00 0.00 57.72 54.21 1jeb n HIS 36 Cb 0.70 -0.39 0.74 0.00 1.12 0.00 0.00 29.99 32.15 1jeb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1jeb h PRO 37 N 3.83 0.00 -0.69 -0.41 0.11 -1.66 0.06 132.00 133.24 1jeb h PRO 37 Ca 0.09 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.32 1jeb h PRO 37 Cb 0.85 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.92 1jeb h PRO 37 CO 0.53 0.00 0.46 -0.56 -0.21 0.00 0.00 178.00 178.22 1jeb h GLN 38 N 0.00 0.47 0.00 1.05 3.07 -1.92 -1.33 115.11 116.46 1jeb h GLN 38 Ca 0.73 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 59.43 1jeb h GLN 38 Cb 3.10 -0.11 -0.00 0.00 0.08 0.00 0.00 27.48 30.56 1jeb h GLN 38 CO -0.01 0.31 -0.03 1.79 0.09 0.00 0.00 178.83 180.98 1jeb h THR 39 N 0.49 0.18 0.00 1.86 1.35 -1.31 -2.93 112.91 112.54 1jeb h THR 39 Ca 0.32 -0.28 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 1jeb h THR 39 Cb 0.60 1.23 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1jeb h THR 39 CO -0.10 0.03 -0.12 0.11 -0.25 0.00 0.00 175.52 175.18 1jeb h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.43 -2.89 116.57 118.54 1jeb h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jeb h LYS 40 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jeb h LYS 40 CO 0.00 0.12 0.00 1.79 -0.57 0.00 0.00 179.45 180.80 1jeb h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.69 -0.78 112.91 111.63 1jeb h THR 41 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1jeb h THR 41 Cb 0.26 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1jeb h THR 41 CO 0.02 0.00 -0.05 -1.22 -0.25 0.00 0.00 175.52 174.02 1jeb n TYR 42 N -2.56 0.64 -2.94 4.73 4.01 -1.09 -3.97 117.16 115.99 1jeb n TYR 42 Ca -0.01 0.19 -0.25 0.00 -0.16 0.00 0.00 57.90 57.67 1jeb n TYR 42 Cb 0.09 -0.79 -0.03 0.00 -0.31 0.00 0.00 39.34 38.30 1jeb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jeb n PHE 43 N -2.03 3.11 0.22 -0.72 3.01 -0.30 -4.86 117.46 115.89 1jeb n PHE 43 Ca 0.06 -3.84 0.07 0.00 1.01 0.00 0.00 57.45 54.75 1jeb n PHE 43 Cb 0.40 -0.43 0.51 0.00 -0.01 0.00 0.00 39.48 39.95 1jeb n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jeb h PRO 44 N 2.95 0.00 -0.01 -1.08 0.13 -1.69 -2.33 132.00 129.97 1jeb h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1jeb h PRO 44 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1jeb h PRO 44 CO 0.75 0.26 0.00 -2.39 -0.23 0.00 0.00 178.00 176.38 1jeb n HIS 45 N -3.80 0.00 -3.74 1.56 1.44 -1.26 -4.91 115.22 104.51 1jeb n HIS 45 Ca -0.01 -0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.40 1jeb n HIS 45 Cb 0.35 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.42 1jeb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1jeb s PHE 46 N -2.00 3.49 -0.53 -1.40 0.40 -0.88 -5.05 117.98 112.02 1jeb s PHE 46 Ca 0.42 0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 56.94 1jeb s PHE 46 Cb 0.21 -1.88 0.07 0.00 0.51 0.00 0.00 43.02 41.93 1jeb s PHE 46 CO 0.35 0.44 0.67 0.34 0.70 0.00 0.00 175.22 177.71 1jeb s ASP 47 N -2.81 6.22 -0.24 1.36 3.68 -1.26 -4.90 116.67 118.71 1jeb s ASP 47 Ca 0.38 -0.99 0.14 0.00 2.13 0.00 0.00 52.55 54.22 1jeb s ASP 47 Cb -0.12 -2.30 0.83 0.00 -1.45 0.00 0.00 42.92 39.88 1jeb s ASP 47 CO 0.27 -0.97 1.76 0.18 0.13 0.00 0.00 175.17 176.55 1jeb n LEU 48 N 6.31 5.79 -4.83 -1.34 4.77 -1.26 -4.19 117.00 122.24 1jeb n LEU 48 Ca -0.07 -2.94 -0.35 0.00 -0.03 0.00 0.00 56.01 52.63 1jeb n LEU 48 Cb 0.45 -0.69 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1jeb n LEU 48 CO 0.56 0.63 0.38 -1.00 -1.33 0.00 0.00 177.39 176.62 1jeb s HIS 49 N -2.78 3.55 0.17 -1.77 3.76 -1.26 -4.96 115.29 112.00 1jeb s HIS 49 Ca 0.55 1.26 -0.18 0.00 -0.15 0.00 0.00 55.06 56.54 1jeb s HIS 49 Cb 0.42 -2.53 -0.11 0.00 1.11 0.00 0.00 32.58 31.46 1jeb s HIS 49 CO 0.16 0.28 0.28 -2.30 -0.85 0.00 0.00 174.74 172.32 1jeb n PRO 50 N 0.39 0.00 -0.63 8.40 -0.02 -1.26 -0.71 135.00 141.18 1jeb n PRO 50 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1jeb n PRO 50 Cb 0.52 -0.68 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 1jeb n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jeb n GLY 51 N 1.41 0.20 3.46 -1.23 0.00 -1.26 -4.92 105.19 102.84 1jeb n GLY 51 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1jeb n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jeb n SER 52 N -0.05 -0.61 0.06 1.61 2.88 0.12 -4.87 113.62 112.76 1jeb n SER 52 Ca 0.00 1.07 -0.20 0.00 -1.33 0.00 0.00 58.87 58.41 1jeb n SER 52 Cb 0.02 -1.07 -0.10 0.00 -0.75 0.00 0.00 64.21 62.31 1jeb n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jeb h ALA 53 N 1.17 0.13 -0.03 -1.46 0.00 -1.88 -2.44 119.26 114.74 1jeb h ALA 53 Ca -0.35 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 53.84 1jeb h ALA 53 Cb 1.40 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jeb h ALA 53 CO 0.56 0.71 0.01 1.96 0.00 0.00 0.00 179.25 182.49 1jeb h GLN 54 N 0.34 0.05 -0.26 0.00 4.20 -1.90 0.15 115.11 117.68 1jeb h GLN 54 Ca -0.14 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.58 1jeb h GLN 54 Cb 1.74 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.49 1jeb h GLN 54 CO 0.21 0.15 0.12 1.25 -0.67 0.00 0.00 178.83 179.89 1jeb h LEU 55 N -0.08 0.17 -0.50 1.46 6.46 -1.73 0.22 115.31 121.31 1jeb h LEU 55 Ca 0.01 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1jeb h LEU 55 Cb 0.12 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1jeb h LEU 55 CO -0.00 0.13 0.29 -0.09 -0.62 0.00 0.00 178.44 178.15 1jeb h ARG 56 N 0.25 0.69 -0.69 1.25 9.65 -1.28 0.47 114.38 124.73 1jeb h ARG 56 Ca 0.11 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 1jeb h ARG 56 Cb 0.04 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 1jeb h ARG 56 CO -0.09 0.52 0.19 0.00 2.80 0.00 0.00 179.97 183.40 1jeb h ALA 57 N 1.13 0.91 -0.31 2.80 0.00 -0.34 -2.66 119.26 120.78 1jeb h ALA 57 Ca 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1jeb h ALA 57 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1jeb h ALA 57 CO -0.03 0.61 -0.09 1.25 0.00 0.00 0.00 179.25 180.99 1jeb h HIS 58 N 1.02 0.69 -0.34 0.00 -0.00 -0.04 -2.88 115.15 113.60 1jeb h HIS 58 Ca 0.22 -0.15 0.05 0.00 -0.00 0.00 0.00 60.37 60.49 1jeb h HIS 58 Cb 0.34 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1jeb h HIS 58 CO 0.03 0.80 0.23 0.78 -0.00 0.00 0.00 177.93 179.77 1jeb h GLY 59 N 0.38 0.30 1.26 5.26 0.00 0.03 -1.12 103.07 109.18 1jeb h GLY 59 Ca 0.08 -0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1jeb h GLY 59 CO 0.03 0.08 -0.34 0.23 0.00 0.00 0.00 176.54 176.55 1jeb h SER 60 N 0.25 0.86 -0.51 0.19 0.87 -1.27 -2.74 113.55 111.20 1jeb h SER 60 Ca 0.15 -0.37 -0.11 0.00 -1.23 0.00 0.00 61.79 60.23 1jeb h SER 60 Cb 0.27 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1jeb h SER 60 CO -0.03 1.12 -0.09 0.11 -0.53 0.00 0.00 176.83 177.41 1jeb h LYS 61 N 0.69 0.98 0.23 2.24 1.57 -1.05 -1.83 116.57 119.39 1jeb h LYS 61 Ca 0.07 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1jeb h LYS 61 Cb 0.89 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1jeb h LYS 61 CO 0.08 1.02 -0.11 0.28 -0.57 0.00 0.00 179.45 180.15 1jeb h VAL 62 N 0.88 0.79 -0.74 0.50 2.07 -1.27 -0.42 116.25 118.07 1jeb h VAL 62 Ca 0.14 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1jeb h VAL 62 Cb 0.63 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1jeb h VAL 62 CO 0.04 0.02 0.36 0.58 0.02 0.00 0.00 177.57 178.60 1jeb h VAL 63 N -0.37 1.23 -1.00 2.57 2.07 -1.49 -0.72 116.25 118.55 1jeb h VAL 63 Ca -0.03 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.85 1jeb h VAL 63 Cb 0.28 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1jeb h VAL 63 CO 0.05 0.28 0.66 0.00 0.02 0.00 0.00 177.57 178.57 1jeb h ALA 64 N 1.35 1.27 -0.35 1.67 0.00 -1.08 0.33 119.26 122.44 1jeb h ALA 64 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1jeb h ALA 64 Cb 0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1jeb h ALA 64 CO -0.03 0.67 0.15 0.00 0.00 0.00 0.00 179.25 180.03 1jeb h ALA 65 N 1.36 0.46 -0.34 0.00 0.00 0.16 -0.88 119.26 120.03 1jeb h ALA 65 Ca 0.37 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1jeb h ALA 65 Cb -0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1jeb h ALA 65 CO -0.08 0.05 0.23 0.28 0.00 0.00 0.00 179.25 179.72 1jeb h VAL 66 N 0.43 1.00 -0.54 0.00 2.07 -0.35 -0.93 116.25 117.93 1jeb h VAL 66 Ca 0.12 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1jeb h VAL 66 Cb 0.16 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1jeb h VAL 66 CO -0.01 0.06 -0.09 1.23 0.02 0.00 0.00 177.57 178.78 1jeb h GLY 67 N 0.31 1.08 1.41 2.17 0.00 0.34 -1.83 103.07 106.56 1jeb h GLY 67 Ca 0.14 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 1jeb h GLY 67 CO -0.03 0.78 0.12 -0.55 0.00 0.00 0.00 176.54 176.86 1jeb h ASP 68 N 0.90 0.69 -0.05 0.19 3.45 -0.04 -0.02 116.42 121.54 1jeb h ASP 68 Ca 0.14 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.42 1jeb h ASP 68 Cb 0.64 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1jeb h ASP 68 CO 0.04 0.68 -0.16 0.00 -1.57 0.00 0.00 179.24 178.23 1jeb h ALA 69 N 1.41 1.30 -0.11 3.45 0.00 -0.96 0.10 119.26 124.44 1jeb h ALA 69 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1jeb h ALA 69 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jeb h ALA 69 CO -0.00 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 179.87 1jeb h VAL 70 N 0.36 1.36 -0.47 0.00 2.07 -0.42 -0.47 116.25 118.69 1jeb h VAL 70 Ca 0.07 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 1jeb h VAL 70 Cb 0.50 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1jeb h VAL 70 CO 0.03 0.37 0.26 0.50 0.02 0.00 0.00 177.57 178.76 1jeb h LYS 71 N -0.12 0.63 -0.81 1.57 3.64 -0.72 -2.56 116.57 118.20 1jeb h LYS 71 Ca 0.02 -0.06 -0.56 0.00 -1.27 0.00 0.00 60.65 58.78 1jeb h LYS 71 Cb 0.65 -0.13 -0.34 0.00 -0.41 0.00 0.00 32.23 32.00 1jeb h LYS 71 CO 0.03 0.46 -0.06 0.43 -2.27 0.00 0.00 179.45 178.04 1jeb n SER 72 N -4.42 5.75 0.27 4.20 7.64 -0.01 -4.78 113.62 122.27 1jeb n SER 72 Ca 0.04 -3.77 0.17 0.00 1.01 0.00 0.00 58.87 56.32 1jeb n SER 72 Cb 0.09 -0.63 0.81 0.00 -1.01 0.00 0.00 64.21 63.48 1jeb n SER 72 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1jeb h ILE 73 N 1.59 0.12 0.00 0.44 2.10 -0.64 0.24 117.51 121.35 1jeb h ILE 73 Ca 0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.39 1jeb h ILE 73 Cb 1.29 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1jeb h ILE 73 CO 1.06 0.00 -0.38 0.44 -1.08 0.00 0.00 178.15 178.18 1jeb h ASP 74 N 0.00 0.00 -1.04 2.19 3.32 -1.86 -3.38 116.42 115.65 1jeb h ASP 74 Ca 0.05 -0.09 -0.39 0.00 0.02 0.00 0.00 57.03 56.63 1jeb h ASP 74 Cb 0.75 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.02 1jeb h ASP 74 CO -0.00 0.04 -0.82 -0.67 -1.72 0.00 0.00 179.24 176.07 1jeb n ASP 75 N -2.39 -1.15 -0.08 6.45 2.03 0.78 -4.96 116.55 117.24 1jeb n ASP 75 Ca 0.04 -3.08 0.01 0.00 0.52 0.00 0.00 54.79 52.28 1jeb n ASP 75 Cb 0.47 0.57 0.32 0.00 -0.72 0.00 0.00 41.12 41.76 1jeb n ASP 75 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1jeb h ILE 76 N 2.34 1.16 -0.45 5.18 2.04 -1.60 -2.38 117.51 123.80 1jeb h ILE 76 Ca -0.03 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1jeb h ILE 76 Cb 0.97 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1jeb h ILE 76 CO 0.38 0.18 0.20 1.23 0.00 0.00 0.00 178.15 180.13 1jeb h GLY 77 N 0.79 0.60 0.81 5.37 0.00 -1.93 -0.13 103.07 108.59 1jeb h GLY 77 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1jeb h GLY 77 CO -0.03 0.07 0.03 -1.33 0.00 0.00 0.00 176.54 175.28 1jeb h GLY 78 N 0.40 0.23 0.71 4.60 0.00 -1.83 -2.04 103.07 105.14 1jeb h GLY 78 Ca 0.20 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.42 1jeb h GLY 78 CO -0.16 0.14 0.17 0.00 0.00 0.00 0.00 176.54 176.68 1jeb h ALA 79 N 0.81 0.49 -0.47 3.60 0.00 -1.12 -2.80 119.26 119.77 1jeb h ALA 79 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jeb h ALA 79 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jeb h ALA 79 CO 0.00 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.32 1jeb n LEU 80 N -4.97 3.72 -0.03 0.00 4.77 -0.09 -4.58 117.00 115.81 1jeb n LEU 80 Ca 0.02 -1.88 -0.13 0.00 -0.03 0.00 0.00 56.01 54.00 1jeb n LEU 80 Cb 0.13 -0.51 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1jeb n LEU 80 CO 0.28 0.61 0.55 -1.28 -1.33 0.00 0.00 177.39 176.22 1jeb h SER 81 N 2.99 -1.49 -0.95 -1.43 0.87 -1.08 -0.82 113.55 111.64 1jeb h SER 81 Ca 0.00 0.19 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 1jeb h SER 81 Cb 1.18 0.60 -0.08 0.00 -0.44 0.00 0.00 62.40 63.67 1jeb h SER 81 CO 0.20 -0.43 0.60 0.11 -0.53 0.00 0.00 176.83 176.78 1jeb h LYS 82 N -0.49 0.80 -0.11 2.24 1.57 -1.84 -2.11 116.57 116.64 1jeb h LYS 82 Ca 0.07 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1jeb h LYS 82 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1jeb h LYS 82 CO -0.45 0.53 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.25 1jeb h LEU 83 N 0.82 0.46 -0.91 2.94 3.38 -1.66 -2.44 115.31 117.91 1jeb h LEU 83 Ca 0.48 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1jeb h LEU 83 Cb 0.65 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1jeb h LEU 83 CO -0.25 0.98 -0.34 0.77 0.09 0.00 0.00 178.44 179.69 1jeb h SER 84 N 0.29 0.40 -0.24 -0.43 4.64 -0.51 -0.27 113.55 117.43 1jeb h SER 84 Ca -0.01 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1jeb h SER 84 Cb 1.18 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1jeb h SER 84 CO 0.11 0.72 -0.23 -0.33 -0.87 0.00 0.00 176.83 176.22 1jeb h GLU 85 N 0.33 0.59 -0.18 4.77 5.08 -1.45 -2.05 114.58 121.66 1jeb h GLU 85 Ca 0.04 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1jeb h GLU 85 Cb 0.76 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1jeb h GLU 85 CO 0.06 0.90 0.10 1.25 -1.00 0.00 0.00 179.01 180.32 1jeb h LEU 86 N 0.30 0.23 -1.23 1.33 5.85 -1.15 0.84 115.31 121.48 1jeb h LEU 86 Ca 0.04 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1jeb h LEU 86 Cb 0.79 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1jeb h LEU 86 CO 0.06 0.25 -0.30 0.45 -0.34 0.00 0.00 178.44 178.55 1jeb h HIS 87 N 0.19 0.00 0.00 1.25 3.86 -1.07 0.87 115.15 120.25 1jeb h HIS 87 Ca 0.06 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.94 1jeb h HIS 87 Cb 0.07 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.49 1jeb h HIS 87 CO -0.04 0.30 -1.85 0.00 0.86 0.00 0.00 177.93 177.20 1jeb n ALA 88 N -2.31 0.97 0.02 2.45 0.00 -0.77 -0.56 120.51 120.31 1jeb n ALA 88 Ca -0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 53.44 52.46 1jeb n ALA 88 Cb 0.42 -0.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.55 1jeb n ALA 88 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1jeb h TYR 89 N -1.00 0.67 0.00 0.00 0.05 -0.97 -3.11 116.97 112.62 1jeb h TYR 89 Ca -0.51 -0.38 -0.20 0.00 0.05 0.00 0.00 58.73 57.70 1jeb h TYR 89 Cb 1.43 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 39.07 1jeb h TYR 89 CO -0.01 1.21 -1.25 -0.89 -1.05 0.00 0.00 178.16 176.17 1jeb n ILE 90 N -4.15 1.51 0.09 -2.88 5.41 -0.97 -4.56 119.36 113.81 1jeb n ILE 90 Ca -0.11 -0.01 0.02 0.00 1.00 0.00 0.00 62.75 63.65 1jeb n ILE 90 Cb 0.73 -2.11 -0.03 0.00 -0.71 0.00 0.00 39.64 37.51 1jeb n ILE 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1jeb h LEU 91 N -1.00 0.00 -1.65 1.39 3.38 -0.96 -3.48 115.31 112.99 1jeb h LEU 91 Ca -0.30 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.15 1jeb h LEU 91 Cb 1.15 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1jeb h LEU 91 CO -0.18 0.53 -0.87 0.54 0.09 0.00 0.00 178.44 178.54 1jeb n ARG 92 N -3.06 -3.27 -2.18 1.13 1.74 0.28 -4.88 116.66 106.43 1jeb n ARG 92 Ca -0.03 0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 1jeb n ARG 92 Cb 0.78 -4.69 -0.03 0.00 -1.02 0.00 0.00 32.46 27.50 1jeb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jeb s VAL 93 N -3.76 3.27 0.12 1.55 1.01 -0.51 -4.96 120.40 117.11 1jeb s VAL 93 Ca 0.24 0.94 -0.31 0.00 0.00 0.00 0.00 61.98 62.85 1jeb s VAL 93 Cb -0.13 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1jeb s VAL 93 CO 0.90 0.09 1.78 -0.62 0.00 0.00 0.00 175.10 177.25 1jeb s ASP 94 N 0.90 6.46 0.42 3.32 -1.08 -1.26 -4.87 116.67 120.56 1jeb s ASP 94 Ca 0.62 2.70 0.24 0.00 -0.52 0.00 0.00 52.55 55.60 1jeb s ASP 94 Cb -0.37 -2.57 1.24 0.00 -1.46 0.00 0.00 42.92 39.77 1jeb s ASP 94 CO 0.32 -0.97 1.72 -0.65 0.52 0.00 0.00 175.17 176.11 1jeb h PRO 95 N 8.42 0.25 -0.14 4.34 0.11 -1.99 0.55 132.00 143.54 1jeb h PRO 95 Ca -0.45 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1jeb h PRO 95 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1jeb h PRO 95 CO 0.94 0.17 0.10 -0.24 -0.21 0.00 0.00 178.00 178.77 1jeb h VAL 96 N 0.26 0.90 -0.11 3.15 3.04 -2.02 -2.21 116.25 119.25 1jeb h VAL 96 Ca 0.67 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 66.30 1jeb h VAL 96 Cb 1.92 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1jeb h VAL 96 CO -0.32 0.00 -0.19 0.78 -1.01 0.00 0.00 177.57 176.83 1jeb h ASN 97 N 0.00 0.18 -0.29 3.17 -0.26 -1.25 -2.61 115.58 114.52 1jeb h ASN 97 Ca 0.07 -0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 1jeb h ASN 97 Cb 0.27 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1jeb h ASN 97 CO -0.00 0.39 -0.02 -0.26 -1.06 0.00 0.00 177.43 176.47 1jeb h PHE 98 N 0.17 0.67 -0.44 1.19 -1.00 -1.55 0.11 116.94 116.10 1jeb h PHE 98 Ca 0.03 -0.09 -0.09 0.00 2.81 0.00 0.00 57.97 60.63 1jeb h PHE 98 Cb 0.44 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 1jeb h PHE 98 CO 0.01 0.66 -0.10 0.87 -1.61 0.00 0.00 178.31 178.13 1jeb h LYS 99 N 0.60 0.80 -0.42 1.51 1.79 -1.57 -0.38 116.57 118.89 1jeb h LYS 99 Ca 0.12 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 58.24 1jeb h LYS 99 Cb 0.42 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1jeb h LYS 99 CO 0.02 0.87 -0.06 -0.07 -1.08 0.00 0.00 179.45 179.13 1jeb h LEU 100 N 0.72 0.78 -0.72 2.94 3.38 -1.05 -1.08 115.31 120.28 1jeb h LEU 100 Ca 0.12 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1jeb h LEU 100 Cb 0.59 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1jeb h LEU 100 CO 0.04 0.94 -0.16 0.25 0.09 0.00 0.00 178.44 179.60 1jeb h LEU 101 N 0.61 0.82 -0.57 1.67 6.46 -0.83 -1.99 115.31 121.48 1jeb h LEU 101 Ca 0.11 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.58 1jeb h LEU 101 Cb 0.57 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 1jeb h LEU 101 CO 0.03 0.98 0.27 0.28 -0.62 0.00 0.00 178.44 179.38 1jeb h SER 102 N 0.73 0.74 -0.34 1.25 0.02 -0.86 -0.75 113.55 114.35 1jeb h SER 102 Ca 0.11 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jeb h SER 102 Cb 0.67 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1jeb h SER 102 CO 0.05 0.67 0.22 -0.74 -1.14 0.00 0.00 176.83 175.89 1jeb h HIS 103 N 0.77 0.42 -0.14 3.45 -0.00 -1.04 -1.13 115.15 117.48 1jeb h HIS 103 Ca 0.19 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1jeb h HIS 103 Cb 0.12 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1jeb h HIS 103 CO -0.00 0.27 -0.10 0.00 -0.00 0.00 0.00 177.93 178.10 1jeb h LEU 105 N 0.21 0.72 -1.32 0.00 5.85 -0.76 -1.97 115.31 118.05 1jeb h LEU 105 Ca 0.05 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1jeb h LEU 105 Cb 0.31 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1jeb h LEU 105 CO 0.02 1.17 0.44 -0.07 -0.34 0.00 0.00 178.44 179.65 1jeb h LEU 106 N 0.31 0.79 -0.12 2.25 3.38 -0.65 0.46 115.31 121.72 1jeb h LEU 106 Ca -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jeb h LEU 106 Cb 1.08 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1jeb h LEU 106 CO 0.10 0.58 0.00 0.58 0.09 0.00 0.00 178.44 179.79 1jeb h VAL 107 N 0.92 1.24 -0.78 1.22 2.07 -1.06 -0.84 116.25 119.03 1jeb h VAL 107 Ca 0.25 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.04 1jeb h VAL 107 Cb -0.09 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1jeb h VAL 107 CO -0.05 0.23 0.46 0.74 0.02 0.00 0.00 177.57 178.97 1jeb h THR 108 N -0.04 1.00 -0.08 2.57 2.02 -0.65 -1.27 112.91 116.45 1jeb h THR 108 Ca 0.04 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1jeb h THR 108 Cb 0.35 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1jeb h THR 108 CO 0.01 0.15 0.02 -0.07 0.37 0.00 0.00 175.52 176.00 1jeb h LEU 109 N 0.84 0.12 -1.10 2.58 4.07 -0.76 -0.74 115.31 120.32 1jeb h LEU 109 Ca 0.35 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 58.09 1jeb h LEU 109 Cb 0.19 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.85 1jeb h LEU 109 CO -0.18 0.33 0.61 0.00 -1.08 0.00 0.00 178.44 178.11 1jeb h ALA 110 N 0.80 1.38 0.00 1.53 0.00 -0.84 0.30 119.26 122.44 1jeb h ALA 110 Ca 0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1jeb h ALA 110 Cb 0.25 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1jeb h ALA 110 CO 0.00 0.55 -0.65 0.00 0.00 0.00 0.00 179.25 179.16 1jeb h ALA 111 N 1.44 0.71 0.00 0.00 0.00 -1.14 -3.05 119.26 117.23 1jeb h ALA 111 Ca 0.35 -0.59 -0.30 0.00 0.00 0.00 0.00 54.91 54.37 1jeb h ALA 111 Cb -0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1jeb h ALA 111 CO -0.09 0.81 -1.80 -2.13 0.00 0.00 0.00 179.25 176.04 1jeb n ARG 112 N -3.45 0.64 -3.11 0.00 0.63 -0.29 -4.53 116.66 106.55 1jeb n ARG 112 Ca 0.00 0.26 -0.22 0.00 -0.92 0.00 0.00 57.85 56.97 1jeb n ARG 112 Cb 0.72 -1.76 -0.04 0.00 0.45 0.00 0.00 32.46 31.83 1jeb n ARG 112 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1jeb n PHE 113 N -3.02 1.76 -0.34 -0.14 3.01 0.10 -4.95 117.46 113.88 1jeb n PHE 113 Ca -0.19 -3.89 0.10 0.00 1.01 0.00 0.00 57.45 54.48 1jeb n PHE 113 Cb 1.06 -0.45 0.28 0.00 -0.01 0.00 0.00 39.48 40.36 1jeb n PHE 113 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jeb h PRO 114 N 3.12 0.75 -0.62 -1.08 0.13 -1.72 0.31 132.00 132.90 1jeb h PRO 114 Ca 0.11 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.15 1jeb h PRO 114 Cb 0.77 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 1jeb h PRO 114 CO 0.63 0.50 0.18 0.00 -0.23 0.00 0.00 178.00 179.08 1jeb h ALA 115 N 1.60 0.81 0.00 -0.56 0.00 -1.92 -3.10 119.26 116.08 1jeb h ALA 115 Ca 0.53 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 1jeb h ALA 115 Cb 0.74 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1jeb h ALA 115 CO -0.35 0.49 -0.52 -0.44 0.00 0.00 0.00 179.25 178.42 1jeb h ASP 116 N 0.89 0.00 -0.18 0.00 3.32 -1.74 -3.40 116.42 115.30 1jeb h ASP 116 Ca 0.20 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.54 1jeb h ASP 116 Cb 0.31 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 1jeb h ASP 116 CO -0.00 0.52 3.08 0.33 -1.72 0.00 0.00 179.24 181.45 1jeb n PHE 117 N -3.25 3.31 -2.12 4.55 7.35 0.02 -4.70 117.46 122.61 1jeb n PHE 117 Ca 0.02 -2.97 -0.28 0.00 -0.76 0.00 0.00 57.45 53.46 1jeb n PHE 117 Cb 0.73 -2.47 0.17 0.00 0.35 0.00 0.00 39.48 38.26 1jeb n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jeb s THR 118 N 2.66 2.03 0.10 -2.13 -4.23 -1.26 -4.80 115.64 108.00 1jeb s THR 118 Ca 0.49 -0.17 -0.22 0.00 -1.18 0.00 0.00 61.69 60.61 1jeb s THR 118 Cb 0.14 -2.85 -0.12 0.00 1.34 0.00 0.00 72.50 71.01 1jeb s THR 118 CO -0.08 0.00 1.73 0.00 -0.54 0.00 0.00 174.62 175.74 1jeb h ALA 119 N -1.36 0.04 -0.55 3.99 0.00 -1.99 0.05 119.26 119.44 1jeb h ALA 119 Ca -0.42 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1jeb h ALA 119 Cb 1.24 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1jeb h ALA 119 CO 0.37 -0.49 0.27 0.93 0.00 0.00 0.00 179.25 180.33 1jeb h GLU 120 N 0.01 0.50 -0.62 0.00 5.08 -1.96 0.14 114.58 117.74 1jeb h GLU 120 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jeb h GLU 120 Cb 0.03 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1jeb h GLU 120 CO -0.05 0.33 0.40 0.00 -1.00 0.00 0.00 179.01 178.69 1jeb h ALA 121 N 1.31 0.78 -0.02 3.43 0.00 -1.77 0.40 119.26 123.39 1jeb h ALA 121 Ca 0.25 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jeb h ALA 121 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jeb h ALA 121 CO -0.19 0.22 -0.04 1.25 0.00 0.00 0.00 179.25 180.50 1jeb h HIS 122 N 0.83 -0.09 -0.86 0.00 -0.00 -0.05 0.72 115.15 115.70 1jeb h HIS 122 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1jeb h HIS 122 Cb -0.09 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.32 1jeb h HIS 122 CO -0.03 -0.06 0.55 0.00 -0.00 0.00 0.00 177.93 178.39 1jeb h ALA 123 N 0.97 1.10 -0.52 5.26 0.00 -0.41 0.98 119.26 126.63 1jeb h ALA 123 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1jeb h ALA 123 Cb 0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1jeb h ALA 123 CO -0.06 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.78 1jeb h ALA 124 N 1.30 0.69 -0.15 0.00 0.00 -0.49 -1.94 119.26 118.66 1jeb h ALA 124 Ca 0.31 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1jeb h ALA 124 Cb -0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1jeb h ALA 124 CO -0.06 0.45 -0.65 -1.49 0.00 0.00 0.00 179.25 177.50 1jeb h TRP 125 N 0.76 0.75 -0.56 0.00 4.06 -0.46 -0.95 115.95 119.54 1jeb h TRP 125 Ca 0.16 -0.30 -0.04 0.00 2.06 0.00 0.00 58.89 60.77 1jeb h TRP 125 Cb 0.44 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 1jeb h TRP 125 CO 0.03 1.06 0.20 0.22 -3.56 0.00 0.00 178.44 176.40 1jeb h ASP 126 N 0.42 0.80 -0.39 -3.49 3.58 -0.76 0.20 116.42 116.78 1jeb h ASP 126 Ca -0.01 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.22 1jeb h ASP 126 Cb 1.22 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 1jeb h ASP 126 CO 0.12 0.77 0.12 0.50 -2.88 0.00 0.00 179.24 177.86 1jeb h LYS 127 N 0.78 0.60 -0.21 0.28 3.64 -1.30 0.05 116.57 120.41 1jeb h LYS 127 Ca 0.18 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jeb h LYS 127 Cb 0.24 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1jeb h LYS 127 CO -0.01 0.61 0.11 0.35 -2.27 0.00 0.00 179.45 178.24 1jeb h PHE 128 N 0.48 0.30 0.00 1.91 3.57 -0.81 -2.22 116.94 120.17 1jeb h PHE 128 Ca 0.12 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1jeb h PHE 128 Cb 0.27 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1jeb h PHE 128 CO 0.01 0.30 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.08 1jeb h LEU 129 N 0.22 0.00 -0.80 0.59 3.38 -0.50 -1.42 115.31 116.78 1jeb h LEU 129 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1jeb h LEU 129 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1jeb h LEU 129 CO -0.01 0.23 -0.26 0.28 0.09 0.00 0.00 178.44 178.78 1jeb h SER 130 N 0.00 0.62 -0.24 -0.43 0.02 -0.54 0.21 113.55 113.19 1jeb h SER 130 Ca -0.00 -0.22 -0.15 0.00 -0.84 0.00 0.00 61.79 60.57 1jeb h SER 130 Cb 0.49 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1jeb h SER 130 CO 0.03 0.86 -0.45 0.58 -1.14 0.00 0.00 176.83 176.71 1jeb h VAL 131 N 0.53 1.30 -0.81 2.27 2.07 -0.78 -0.76 116.25 120.08 1jeb h VAL 131 Ca 0.07 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 1jeb h VAL 131 Cb 0.72 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 1jeb h VAL 131 CO 0.06 0.53 0.46 0.58 0.02 0.00 0.00 177.57 179.21 1jeb h VAL 132 N 0.46 1.24 -0.38 2.57 2.07 -1.09 -0.55 116.25 120.56 1jeb h VAL 132 Ca 0.01 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.82 1jeb h VAL 132 Cb 1.06 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1jeb h VAL 132 CO 0.10 0.26 -0.33 0.28 0.02 0.00 0.00 177.57 177.90 1jeb h SER 133 N 1.12 0.91 -0.44 0.57 0.02 -0.88 -2.26 113.55 112.59 1jeb h SER 133 Ca 0.29 -0.39 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1jeb h SER 133 Cb 0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1jeb h SER 133 CO -0.05 1.15 0.19 -1.28 -1.14 0.00 0.00 176.83 175.71 1jeb h SER 134 N 0.72 0.59 -0.81 3.07 0.87 -0.80 -2.35 113.55 114.85 1jeb h SER 134 Ca 0.07 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1jeb h SER 134 Cb 0.90 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1jeb h SER 134 CO 0.08 0.58 0.33 0.58 -0.53 0.00 0.00 176.83 177.87 1jeb h VAL 135 N 0.57 1.26 0.00 2.23 2.07 -1.06 -1.13 116.25 120.19 1jeb h VAL 135 Ca 0.15 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1jeb h VAL 135 Cb 0.16 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1jeb h VAL 135 CO -0.02 0.34 0.00 -0.07 0.02 0.00 0.00 177.57 177.84 1jeb h LEU 136 N 1.17 0.00 -2.02 2.57 3.38 -1.15 -2.97 115.31 116.29 1jeb h LEU 136 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1jeb h LEU 136 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jeb h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1jeb n THR 137 N -2.33 0.46 0.17 0.22 -2.24 -0.91 -4.49 114.28 105.16 1jeb n THR 137 Ca 0.03 -0.73 0.16 0.00 -2.27 0.00 0.00 64.05 61.24 1jeb n THR 137 Cb 0.28 0.84 0.76 0.00 -2.10 0.00 0.00 70.33 70.11 1jeb n THR 137 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1jeb h GLU 138 N 1.15 0.00 0.00 -0.78 4.11 -1.05 -1.61 114.58 116.40 1jeb h GLU 138 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1jeb h GLU 138 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jeb h GLU 138 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 1jeb n LYS 139 N -4.07 0.06 0.00 1.06 4.01 -1.26 -1.25 118.16 116.70 1jeb n LYS 139 Ca 0.03 0.27 0.12 0.00 -0.51 0.00 0.00 58.31 58.22 1jeb n LYS 139 Cb 0.35 -1.50 0.22 0.00 -0.51 0.00 0.00 35.03 33.59 1jeb n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1jeb n TYR 140 N -1.42 0.00 -0.33 2.13 0.53 -0.60 -5.00 117.16 112.47 1jeb n TYR 140 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 1jeb n TYR 140 Cb 0.10 -0.05 0.00 0.00 -1.03 0.00 0.00 39.34 38.36 1jeb n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38