#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 2.41 0.83 -3.43 1.43 -1.26 -5.05 118.68 113.61 1jeb s LEU 2 Ca 0.00 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1jeb s LEU 2 Cb 0.00 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 45.10 1jeb s LEU 2 CO 0.00 0.15 1.19 0.42 0.23 0.00 0.00 176.35 178.34 1jeb s THR 3 N -1.42 2.00 0.19 5.49 -4.23 -1.26 -4.78 115.64 111.64 1jeb s THR 3 Ca 0.18 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 1jeb s THR 3 Cb -0.09 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.88 1jeb s THR 3 CO 0.08 0.00 1.83 0.50 -0.54 0.00 0.00 174.62 176.49 1jeb h LYS 4 N -1.14 0.70 -0.56 3.99 3.64 -2.01 0.12 116.57 121.31 1jeb h LYS 4 Ca -0.46 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1jeb h LYS 4 Cb 1.32 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1jeb h LYS 4 CO 0.63 0.46 0.10 1.79 -2.27 0.00 0.00 179.45 180.17 1jeb h THR 5 N 0.72 1.24 -0.16 1.00 1.35 -1.99 0.77 112.91 115.84 1jeb h THR 5 Ca 0.25 -0.91 -0.07 0.00 -0.55 0.00 0.00 66.41 65.14 1jeb h THR 5 Cb 0.05 0.70 -0.00 0.00 -1.73 0.00 0.00 68.15 67.17 1jeb h THR 5 CO -0.12 0.33 -0.18 -0.33 -0.25 0.00 0.00 175.52 174.98 1jeb h GLU 6 N 0.85 0.41 -0.51 4.72 5.08 -1.84 -2.61 114.58 120.68 1jeb h GLU 6 Ca 0.18 -0.22 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1jeb h GLU 6 Cb 0.36 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1jeb h GLU 6 CO 0.01 0.79 0.23 0.00 -1.00 0.00 0.00 179.01 179.03 1jeb h ARG 7 N 0.04 0.43 -0.64 2.33 3.08 -0.49 -0.25 114.38 118.89 1jeb h ARG 7 Ca 0.02 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jeb h ARG 7 Cb 0.73 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1jeb h ARG 7 CO 0.04 0.28 0.39 1.15 -1.07 0.00 0.00 179.97 180.76 1jeb h THR 8 N 0.44 1.06 -0.48 2.04 2.02 -0.81 -1.34 112.91 115.85 1jeb h THR 8 Ca 0.23 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1jeb h THR 8 Cb 0.19 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 1jeb h THR 8 CO -0.19 0.14 0.00 0.40 0.37 0.00 0.00 175.52 176.23 1jeb h ILE 9 N 0.75 1.26 -0.30 3.11 2.04 -0.99 -1.85 117.51 121.54 1jeb h ILE 9 Ca 0.26 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.06 1jeb h ILE 9 Cb 0.05 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1jeb h ILE 9 CO -0.12 0.37 0.19 0.40 0.00 0.00 0.00 178.15 178.99 1jeb h ILE 10 N 0.70 1.09 -0.34 -0.67 1.08 -0.68 -1.35 117.51 117.35 1jeb h ILE 10 Ca 0.14 -0.20 -0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1jeb h ILE 10 Cb 0.51 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1jeb h ILE 10 CO 0.02 0.09 0.08 0.58 -0.69 0.00 0.00 178.15 178.23 1jeb h VAL 11 N 0.40 1.22 -0.49 1.67 2.07 -1.20 0.39 116.25 120.31 1jeb h VAL 11 Ca 0.11 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.75 1jeb h VAL 11 Cb -0.02 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1jeb h VAL 11 CO -0.02 0.26 -0.16 0.77 0.02 0.00 0.00 177.57 178.43 1jeb h SER 12 N 0.39 0.97 -0.43 0.57 4.64 -1.27 -1.44 113.55 116.98 1jeb h SER 12 Ca 0.11 -0.34 -0.10 0.00 -0.47 0.00 0.00 61.79 60.98 1jeb h SER 12 Cb 0.31 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1jeb h SER 12 CO 0.00 1.11 -0.11 -0.03 -0.87 0.00 0.00 176.83 176.93 1jeb h MET 13 N 0.84 0.89 -0.23 4.77 -1.53 -1.20 -2.66 114.93 115.81 1jeb h MET 13 Ca 0.12 -0.31 -0.03 0.00 -3.44 0.00 0.00 59.70 56.03 1jeb h MET 13 Cb 0.72 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 1jeb h MET 13 CO 0.06 0.96 -0.01 2.35 0.14 0.00 0.00 176.91 180.41 1jeb h TRP 14 N 0.80 0.35 -0.79 1.39 2.91 -0.53 -1.31 115.95 118.76 1jeb h TRP 14 Ca 0.13 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.19 1jeb h TRP 14 Cb 0.63 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.13 1jeb h TRP 14 CO 0.04 0.36 0.52 0.00 -1.03 0.00 0.00 178.44 178.33 1jeb h ALA 15 N 1.67 1.65 0.21 2.65 0.00 -0.90 0.10 119.26 124.64 1jeb h ALA 15 Ca 0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.68 1jeb h ALA 15 Cb 0.24 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1jeb h ALA 15 CO 0.01 0.22 -1.25 0.87 0.00 0.00 0.00 179.25 179.10 1jeb h LYS 16 N 0.84 0.47 -0.85 0.00 1.57 -1.27 -3.30 116.57 114.02 1jeb h LYS 16 Ca 0.34 -0.79 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1jeb h LYS 16 Cb 0.26 0.29 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1jeb h LYS 16 CO -0.12 1.38 0.56 0.82 -0.57 0.00 0.00 179.45 181.51 1jeb h ILE 17 N -0.02 1.16 -0.91 1.86 2.04 -0.83 -2.89 117.51 117.93 1jeb h ILE 17 Ca -0.22 -0.38 0.18 0.00 1.00 0.00 0.00 64.86 65.45 1jeb h ILE 17 Cb 1.99 -0.03 -0.11 0.00 -0.74 0.00 0.00 36.82 37.93 1jeb h ILE 17 CO 0.24 0.20 0.47 0.77 0.00 0.00 0.00 178.15 179.83 1jeb h SER 18 N 1.10 0.54 0.79 1.72 4.64 -0.89 1.43 113.55 122.88 1jeb h SER 18 Ca 0.33 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1jeb h SER 18 Cb -0.03 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jeb h SER 18 CO -0.10 0.16 0.00 0.35 -0.87 0.00 0.00 176.83 176.37 1jeb n THR 19 N -4.90 0.64 -1.30 2.95 -2.24 -1.09 -3.09 114.28 105.25 1jeb n THR 19 Ca 0.21 0.12 0.03 0.00 -2.27 0.00 0.00 64.05 62.13 1jeb n THR 19 Cb 0.55 -0.84 0.04 0.00 -2.10 0.00 0.00 70.33 67.98 1jeb n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jeb n GLN 20 N -1.71 0.73 -0.33 -0.78 6.02 0.51 -4.92 117.38 116.90 1jeb n GLN 20 Ca 0.04 -1.39 0.01 0.00 -0.01 0.00 0.00 57.00 55.66 1jeb n GLN 20 Cb 0.26 -0.83 0.07 0.00 1.02 0.00 0.00 30.24 30.76 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 0.00 0.34 -0.34 -1.58 0.00 0.19 -0.99 119.26 116.87 1jeb h ALA 21 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1jeb h ALA 21 Cb 1.10 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1jeb h ALA 21 CO 0.00 -0.52 0.23 -0.44 0.00 0.00 0.00 179.25 178.51 1jeb h ASP 22 N -0.03 0.39 0.14 0.00 3.32 -1.87 0.36 116.42 118.73 1jeb h ASP 22 Ca 0.37 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1jeb h ASP 22 Cb 0.62 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1jeb h ASP 22 CO -0.92 0.28 -0.45 0.71 -1.72 0.00 0.00 179.24 177.14 1jeb h THR 23 N 0.46 1.32 -0.33 0.35 1.35 -1.76 -1.78 112.91 112.51 1jeb h THR 23 Ca 0.13 -1.63 -0.09 0.00 -0.55 0.00 0.00 66.41 64.27 1jeb h THR 23 Cb -0.05 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1jeb h THR 23 CO -0.03 0.50 -0.14 0.40 -0.25 0.00 0.00 175.52 176.00 1jeb h ILE 24 N 0.31 1.29 -0.58 6.82 2.04 -0.96 0.64 117.51 127.06 1jeb h ILE 24 Ca 0.02 -1.24 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1jeb h ILE 24 Cb 0.92 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 1jeb h ILE 24 CO 0.08 0.40 0.29 1.23 0.00 0.00 0.00 178.15 180.15 1jeb h GLY 25 N 0.45 0.90 0.95 5.37 0.00 -0.81 -0.44 103.07 109.49 1jeb h GLY 25 Ca 0.08 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 1jeb h GLY 25 CO 0.04 0.42 -0.20 -0.84 0.00 0.00 0.00 176.54 175.96 1jeb h THR 26 N 0.79 1.29 -0.71 4.70 2.02 -1.24 -2.71 112.91 117.05 1jeb h THR 26 Ca 0.20 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1jeb h THR 26 Cb 0.10 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1jeb h THR 26 CO -0.03 0.43 0.29 -0.08 0.37 0.00 0.00 175.52 176.50 1jeb h GLU 27 N 0.45 1.05 -0.34 6.66 4.81 -0.67 -1.87 114.58 124.67 1jeb h GLU 27 Ca 0.06 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1jeb h GLU 27 Cb 0.74 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1jeb h GLU 27 CO 0.06 0.85 0.19 1.15 -0.73 0.00 0.00 179.01 180.52 1jeb h THR 28 N 1.03 1.14 -0.60 0.32 2.02 -0.98 -1.22 112.91 114.62 1jeb h THR 28 Ca 0.24 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.96 1jeb h THR 28 Cb 0.19 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1jeb h THR 28 CO -0.02 0.14 0.01 -0.07 0.37 0.00 0.00 175.52 175.95 1jeb h LEU 29 N 0.43 1.03 -0.87 2.58 3.38 -1.27 -1.52 115.31 119.07 1jeb h LEU 29 Ca 0.12 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1jeb h LEU 29 Cb 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1jeb h LEU 29 CO -0.02 1.07 -0.21 -0.33 0.09 0.00 0.00 178.44 179.04 1jeb h GLU 30 N 0.96 0.61 -0.52 1.13 5.08 -1.22 0.96 114.58 121.57 1jeb h GLU 30 Ca 0.17 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1jeb h GLU 30 Cb 0.54 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1jeb h GLU 30 CO 0.03 0.78 -0.07 0.00 -1.00 0.00 0.00 179.01 178.74 1jeb h ARG 31 N 0.54 0.95 -0.13 2.33 3.08 -0.97 -2.36 114.38 117.82 1jeb h ARG 31 Ca 0.08 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 1jeb h ARG 31 Cb 0.66 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1jeb h ARG 31 CO 0.05 0.98 -0.01 1.25 -1.07 0.00 0.00 179.97 181.17 1jeb h LEU 32 N 0.86 0.23 -0.99 3.04 5.85 -0.79 -1.28 115.31 122.23 1jeb h LEU 32 Ca 0.14 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1jeb h LEU 32 Cb 0.61 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1jeb h LEU 32 CO 0.04 0.50 0.04 -0.26 -0.34 0.00 0.00 178.44 178.42 1jeb h PHE 33 N -0.05 0.81 0.13 1.25 0.04 -0.80 0.73 116.94 119.04 1jeb h PHE 33 Ca 0.03 -0.10 -0.29 0.00 2.80 0.00 0.00 57.97 60.42 1jeb h PHE 33 Cb 0.39 -0.23 0.02 0.00 2.20 0.00 0.00 35.95 38.34 1jeb h PHE 33 CO 0.04 0.73 -1.24 -0.07 -0.60 0.00 0.00 178.31 177.17 1jeb h LEU 34 N 0.73 0.74 0.00 1.54 3.38 -1.43 -2.51 115.31 117.77 1jeb h LEU 34 Ca 0.15 -0.71 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 1jeb h LEU 34 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1jeb h LEU 34 CO 0.01 1.53 -0.73 0.28 0.09 0.00 0.00 178.44 179.62 1jeb h SER 35 N 0.21 0.00 -2.01 -0.43 0.02 -1.21 -3.39 113.55 106.75 1jeb h SER 35 Ca -0.17 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.23 1jeb h SER 35 Cb 1.92 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 64.07 1jeb h SER 35 CO 0.23 0.42 -1.10 1.41 -1.14 0.00 0.00 176.83 176.64 1jeb n HIS 36 N -3.07 -0.02 -0.20 3.45 8.25 0.24 -4.98 115.22 118.89 1jeb n HIS 36 Ca -0.01 -3.65 0.30 0.00 -0.26 0.00 0.00 57.72 54.10 1jeb n HIS 36 Cb 0.72 -0.38 0.69 0.00 1.12 0.00 0.00 29.99 32.15 1jeb n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1jeb h PRO 37 N 3.76 0.00 -0.86 -0.41 0.13 -1.59 -0.56 132.00 132.47 1jeb h PRO 37 Ca 0.08 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.40 1jeb h PRO 37 Cb 0.89 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.96 1jeb h PRO 37 CO 0.49 0.00 0.57 -0.56 -0.23 0.00 0.00 178.00 178.27 1jeb h GLN 38 N 0.00 0.39 0.00 0.86 3.07 -1.91 0.16 115.11 117.67 1jeb h GLN 38 Ca 0.46 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 59.17 1jeb h GLN 38 Cb 2.11 -0.09 -0.00 0.00 0.08 0.00 0.00 27.48 29.58 1jeb h GLN 38 CO -0.00 0.26 -0.04 1.79 0.09 0.00 0.00 178.83 180.92 1jeb h THR 39 N 0.40 0.18 0.00 1.86 1.35 -1.42 -2.77 112.91 112.51 1jeb h THR 39 Ca 0.44 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.94 1jeb h THR 39 Cb 1.09 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1jeb h THR 39 CO -0.15 0.04 -0.10 0.11 -0.25 0.00 0.00 175.52 175.16 1jeb h LYS 40 N 0.00 0.00 -0.03 4.72 1.57 -0.87 -2.83 116.57 119.14 1jeb h LYS 40 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1jeb h LYS 40 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1jeb h LYS 40 CO 0.00 0.10 0.20 1.79 -0.57 0.00 0.00 179.45 180.98 1jeb h THR 41 N 0.00 0.05 -0.00 -0.16 1.35 -1.65 0.70 112.91 113.21 1jeb h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1jeb h THR 41 Cb 0.20 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1jeb h THR 41 CO 0.01 0.00 -0.14 -1.22 -0.25 0.00 0.00 175.52 173.93 1jeb n TYR 42 N -3.06 0.00 -2.62 4.73 4.01 -1.07 -4.02 117.16 115.14 1jeb n TYR 42 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 1jeb n TYR 42 Cb 0.27 -0.43 -0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.50 2.86 0.25 -0.72 3.01 0.24 -4.85 117.46 116.75 1jeb n PHE 43 Ca 0.07 -3.21 0.10 0.00 1.01 0.00 0.00 57.45 55.41 1jeb n PHE 43 Cb 0.34 -0.22 0.66 0.00 -0.01 0.00 0.00 39.48 40.25 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 2.75 0.00 -0.07 -1.08 0.13 -1.70 -1.18 132.00 130.85 1jeb h PRO 44 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1jeb h PRO 44 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1jeb h PRO 44 CO 0.75 0.11 0.00 -2.39 -0.23 0.00 0.00 178.00 176.24 1jeb n HIS 45 N -4.04 0.08 -3.97 1.56 1.44 -1.26 -4.88 115.22 104.15 1jeb n HIS 45 Ca -0.02 -0.04 -0.32 0.00 -2.01 0.00 0.00 57.72 55.32 1jeb n HIS 45 Cb 0.20 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.92 3.44 -0.68 -1.40 0.40 -0.45 -5.04 117.98 112.34 1jeb s PHE 46 Ca 0.27 0.26 -0.19 0.00 -0.60 0.00 0.00 56.93 56.68 1jeb s PHE 46 Cb 0.13 -1.77 0.12 0.00 0.51 0.00 0.00 43.02 42.02 1jeb s PHE 46 CO 0.21 0.60 0.81 0.34 0.70 0.00 0.00 175.22 177.88 1jeb s ASP 47 N -2.09 6.31 -0.10 1.36 2.15 -1.26 -4.91 116.67 118.14 1jeb s ASP 47 Ca 0.28 -1.62 0.01 0.00 0.43 0.00 0.00 52.55 51.66 1jeb s ASP 47 Cb -0.13 -2.32 0.17 0.00 -0.30 0.00 0.00 42.92 40.35 1jeb s ASP 47 CO 0.20 -1.09 1.15 0.18 -0.17 0.00 0.00 175.17 175.44 1jeb n LEU 48 N 6.27 3.59 -4.84 -1.34 4.77 -1.26 -4.45 117.00 119.74 1jeb n LEU 48 Ca -0.01 -1.85 -0.35 0.00 -0.03 0.00 0.00 56.01 53.77 1jeb n LEU 48 Cb 0.44 -0.58 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1jeb n LEU 48 CO 0.55 0.58 0.26 -1.38 -1.33 0.00 0.00 177.39 176.07 1jeb s HIS 49 N -0.92 3.60 0.47 -1.77 -3.43 -1.26 -5.02 115.29 106.95 1jeb s HIS 49 Ca 0.14 1.10 -0.23 0.00 -0.80 0.00 0.00 55.06 55.27 1jeb s HIS 49 Cb 0.11 -2.40 -0.09 0.00 -1.43 0.00 0.00 32.58 28.78 1jeb s HIS 49 CO 0.03 0.41 1.01 -0.35 -2.00 0.00 0.00 174.74 173.84 1jeb n PRO 50 N 0.76 1.28 -0.97 -0.38 -0.04 -1.26 -1.79 135.00 132.60 1jeb n PRO 50 Ca -0.05 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1jeb n PRO 50 Cb 0.52 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 1jeb n PRO 50 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jeb n GLY 51 N 1.19 0.89 3.69 0.55 0.00 -1.26 -4.97 105.19 105.27 1jeb n GLY 51 Ca 0.10 0.00 -0.44 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 -0.01 3.19 0.17 1.61 2.88 -0.74 -4.87 113.62 115.86 1jeb n SER 52 Ca 0.00 1.12 0.02 0.00 -1.33 0.00 0.00 58.87 58.69 1jeb n SER 52 Cb 0.00 -1.48 0.28 0.00 -0.75 0.00 0.00 64.21 62.27 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 4.99 1.06 -0.09 -1.46 0.00 -1.91 -0.15 119.26 121.71 1jeb h ALA 53 Ca -0.45 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 1jeb h ALA 53 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jeb h ALA 53 CO 0.82 0.59 -0.23 0.37 0.00 0.00 0.00 179.25 180.79 1jeb h GLN 54 N 0.00 0.31 -0.29 0.00 4.15 -1.89 -1.73 115.11 115.66 1jeb h GLN 54 Ca -0.00 -0.21 -0.08 0.00 0.77 0.00 0.00 58.65 59.12 1jeb h GLN 54 Cb 0.92 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.63 1jeb h GLN 54 CO 0.06 0.82 -0.13 1.25 -1.93 0.00 0.00 178.83 178.91 1jeb h LEU 55 N -0.15 0.61 -0.73 -2.39 6.46 -1.75 -2.10 115.31 115.26 1jeb h LEU 55 Ca -0.00 -0.40 -0.04 0.00 -0.12 0.00 0.00 57.88 57.32 1jeb h LEU 55 Cb 0.83 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 1jeb h LEU 55 CO 0.05 0.88 0.30 -0.09 -0.62 0.00 0.00 178.44 178.96 1jeb h ARG 56 N 0.35 1.08 -0.79 1.25 2.43 -1.09 -0.50 114.38 117.11 1jeb h ARG 56 Ca 0.07 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.00 1jeb h ARG 56 Cb 0.64 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1jeb h ARG 56 CO 0.04 0.89 0.34 0.00 -1.51 0.00 0.00 179.97 179.73 1jeb h ALA 57 N 1.14 1.03 -0.40 2.80 0.00 -1.24 -1.57 119.26 121.02 1jeb h ALA 57 Ca 0.24 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1jeb h ALA 57 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1jeb h ALA 57 CO -0.02 0.63 -0.21 1.25 0.00 0.00 0.00 179.25 180.90 1jeb h HIS 58 N 1.14 0.89 -0.62 0.00 -0.00 -0.96 -2.59 115.15 113.01 1jeb h HIS 58 Ca 0.27 -0.20 -0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1jeb h HIS 58 Cb 0.18 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 1jeb h HIS 58 CO 0.02 0.92 0.24 0.78 -0.00 0.00 0.00 177.93 179.89 1jeb h GLY 59 N 0.96 0.97 1.58 5.26 0.00 -0.60 -1.75 103.07 109.50 1jeb h GLY 59 Ca 0.10 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1jeb h GLY 59 CO 0.06 0.47 -0.18 1.76 0.00 0.00 0.00 176.54 178.64 1jeb h SER 60 N 0.89 0.49 -0.17 0.19 0.02 -1.06 -2.33 113.55 111.58 1jeb h SER 60 Ca 0.21 -0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.80 1jeb h SER 60 Cb 0.18 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1jeb h SER 60 CO -0.02 0.69 -0.71 0.11 -1.14 0.00 0.00 176.83 175.76 1jeb h LYS 61 N 0.45 0.81 0.15 3.45 1.57 -1.03 -0.54 116.57 121.43 1jeb h LYS 61 Ca 0.08 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1jeb h LYS 61 Cb 0.58 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1jeb h LYS 61 CO 0.04 1.23 -0.07 0.28 -0.57 0.00 0.00 179.45 180.35 1jeb h VAL 62 N 0.57 0.90 -0.33 0.50 2.07 -1.18 -0.21 116.25 118.58 1jeb h VAL 62 Ca -0.03 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1jeb h VAL 62 Cb 1.33 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1jeb h VAL 62 CO 0.15 0.06 -0.05 0.58 0.02 0.00 0.00 177.57 178.33 1jeb h VAL 63 N -0.32 1.21 -0.59 2.57 2.07 -1.47 -0.98 116.25 118.75 1jeb h VAL 63 Ca -0.02 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1jeb h VAL 63 Cb 0.25 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1jeb h VAL 63 CO 0.03 0.30 0.34 0.00 0.02 0.00 0.00 177.57 178.26 1jeb h ALA 64 N 1.45 0.75 -0.81 1.67 0.00 -0.82 0.59 119.26 122.09 1jeb h ALA 64 Ca 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jeb h ALA 64 Cb 0.40 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1jeb h ALA 64 CO 0.02 0.25 0.34 0.00 0.00 0.00 0.00 179.25 179.86 1jeb h ALA 65 N 1.16 1.05 -0.69 0.00 0.00 -0.25 0.21 119.26 120.74 1jeb h ALA 65 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jeb h ALA 65 Cb 0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1jeb h ALA 65 CO -0.04 0.66 0.33 0.28 0.00 0.00 0.00 179.25 180.49 1jeb h VAL 66 N 1.17 1.23 -0.74 0.00 2.07 -0.63 -2.20 116.25 117.15 1jeb h VAL 66 Ca 0.27 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1jeb h VAL 66 Cb 0.19 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1jeb h VAL 66 CO -0.03 0.27 0.42 1.23 0.02 0.00 0.00 177.57 179.48 1jeb h GLY 67 N 0.96 1.09 1.44 2.17 0.00 -0.22 -1.04 103.07 107.47 1jeb h GLY 67 Ca 0.24 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1jeb h GLY 67 CO -0.03 0.46 0.32 -0.55 0.00 0.00 0.00 176.54 176.74 1jeb h ASP 68 N 1.01 0.49 0.38 0.19 3.45 -0.53 0.16 116.42 121.57 1jeb h ASP 68 Ca 0.26 -0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.56 1jeb h ASP 68 Cb 0.01 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.65 1jeb h ASP 68 CO -0.04 0.34 -0.64 0.00 -1.57 0.00 0.00 179.24 177.33 1jeb h ALA 69 N 1.72 0.80 -0.14 3.45 0.00 -0.69 -2.73 119.26 121.68 1jeb h ALA 69 Ca 0.19 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1jeb h ALA 69 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jeb h ALA 69 CO -0.05 0.75 -0.06 0.28 0.00 0.00 0.00 179.25 180.17 1jeb h VAL 70 N 0.18 1.31 -0.58 0.00 2.07 0.13 -2.68 116.25 116.68 1jeb h VAL 70 Ca -0.01 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.49 1jeb h VAL 70 Cb 1.15 1.75 -0.06 0.00 -1.52 0.00 0.00 31.29 32.61 1jeb h VAL 70 CO 0.10 0.32 0.24 0.11 0.02 0.00 0.00 177.57 178.36 1jeb h LYS 71 N -0.05 0.43 -2.32 1.57 1.79 -0.69 -2.95 116.57 114.35 1jeb h LYS 71 Ca 0.03 -0.03 -0.64 0.00 -2.18 0.00 0.00 60.65 57.84 1jeb h LYS 71 Cb 0.53 -0.10 -0.39 0.00 -1.58 0.00 0.00 32.23 30.69 1jeb h LYS 71 CO 0.02 0.28 -0.32 -1.13 -1.08 0.00 0.00 179.45 177.22 1jeb n SER 72 N -4.96 4.48 0.22 0.86 3.41 -1.04 -4.86 113.62 111.73 1jeb n SER 72 Ca 0.08 -3.50 0.09 0.00 -0.26 0.00 0.00 58.87 55.28 1jeb n SER 72 Cb 0.23 -0.76 0.43 0.00 -0.26 0.00 0.00 64.21 63.86 1jeb n SER 72 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1jeb h ILE 73 N 3.12 0.58 0.00 -1.33 2.10 -1.29 -2.76 117.51 117.93 1jeb h ILE 73 Ca 0.20 -1.18 0.00 0.00 1.08 0.00 0.00 64.86 64.96 1jeb h ILE 73 Cb 0.61 1.80 0.00 0.00 -1.09 0.00 0.00 36.82 38.14 1jeb h ILE 73 CO 0.92 0.24 0.00 0.47 -1.08 0.00 0.00 178.15 178.70 1jeb n ASP 74 N -3.39 0.01 -2.80 2.19 8.00 -1.26 -3.89 116.55 115.41 1jeb n ASP 74 Ca 0.00 0.50 -0.08 0.00 0.71 0.00 0.00 54.79 55.92 1jeb n ASP 74 Cb 0.45 -0.51 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1jeb n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1jeb n ASP 75 N -1.52 -2.79 -0.09 -2.24 2.03 -1.05 -4.74 116.55 106.15 1jeb n ASP 75 Ca 0.03 -3.13 -0.08 0.00 0.52 0.00 0.00 54.79 52.14 1jeb n ASP 75 Cb 0.17 1.58 0.00 0.00 -0.72 0.00 0.00 41.12 42.14 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 3.57 0.99 -0.87 5.18 2.04 -1.66 -2.71 117.51 124.05 1jeb h ILE 76 Ca -0.06 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 65.80 1jeb h ILE 76 Cb 1.04 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1jeb h ILE 76 CO 0.25 0.06 0.56 1.23 0.00 0.00 0.00 178.15 180.25 1jeb h GLY 77 N 0.34 1.20 2.00 5.37 0.00 -1.94 -0.70 103.07 109.34 1jeb h GLY 77 Ca 0.14 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1jeb h GLY 77 CO -0.10 0.15 -0.29 -1.33 0.00 0.00 0.00 176.54 174.97 1jeb h GLY 78 N 0.77 0.00 1.51 4.60 0.00 -1.86 0.75 103.07 108.84 1jeb h GLY 78 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 1jeb h GLY 78 CO -0.18 0.00 -0.57 0.00 0.00 0.00 0.00 176.54 175.79 1jeb h ALA 79 N 1.71 0.74 0.00 3.60 0.00 -1.05 -3.35 119.26 120.90 1jeb h ALA 79 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jeb h ALA 79 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1jeb h ALA 79 CO 0.04 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1jeb n LEU 80 N -2.92 1.33 -0.33 0.00 4.77 -0.83 -4.77 117.00 114.24 1jeb n LEU 80 Ca 0.01 -1.33 0.20 0.00 -0.03 0.00 0.00 56.01 54.87 1jeb n LEU 80 Cb 0.58 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.09 1jeb n LEU 80 CO 0.38 0.33 1.12 -1.28 -1.33 0.00 0.00 177.39 176.60 1jeb h SER 81 N 0.00 0.52 -0.27 -1.43 0.87 0.38 -1.53 113.55 112.09 1jeb h SER 81 Ca 0.00 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1jeb h SER 81 Cb 0.38 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1jeb h SER 81 CO 0.00 -0.05 0.05 0.07 -0.53 0.00 0.00 176.83 176.37 1jeb h LYS 82 N 0.41 0.15 0.00 2.24 2.10 -1.86 -3.02 116.57 116.59 1jeb h LYS 82 Ca 0.68 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.32 1jeb h LYS 82 Cb 1.45 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1jeb h LYS 82 CO -0.56 0.10 0.00 -0.07 -2.00 0.00 0.00 179.45 176.91 1jeb h LEU 83 N 0.15 0.00 0.33 7.07 3.38 -1.64 -3.30 115.31 121.30 1jeb h LEU 83 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jeb h LEU 83 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1jeb h LEU 83 CO -0.17 0.00 -0.34 0.28 0.09 0.00 0.00 178.44 178.30 1jeb h SER 84 N 0.00 -0.92 -0.38 -0.43 0.02 -1.59 -2.75 113.55 107.51 1jeb h SER 84 Ca 0.00 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1jeb h SER 84 Cb 0.10 0.31 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1jeb h SER 84 CO 0.00 -0.48 0.11 -0.08 -1.14 0.00 0.00 176.83 175.25 1jeb h GLU 85 N -0.70 0.25 -0.01 3.45 4.81 -1.78 -0.33 114.58 120.27 1jeb h GLU 85 Ca -0.02 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1jeb h GLU 85 Cb 0.64 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 1jeb h GLU 85 CO -0.07 0.16 -0.40 1.25 -0.73 0.00 0.00 179.01 179.23 1jeb h LEU 86 N 0.25 -1.21 -0.35 1.64 6.46 -1.73 0.47 115.31 120.84 1jeb h LEU 86 Ca 0.18 0.15 -0.14 0.00 -0.12 0.00 0.00 57.88 57.94 1jeb h LEU 86 Cb 0.18 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1jeb h LEU 86 CO -0.20 -0.44 -0.34 0.45 -0.62 0.00 0.00 178.44 177.29 1jeb h HIS 87 N -0.55 1.02 0.00 1.25 3.86 -1.35 0.70 115.15 120.08 1jeb h HIS 87 Ca 0.05 -0.30 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1jeb h HIS 87 Cb 0.63 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1jeb h HIS 87 CO -0.41 1.10 -0.03 0.00 0.86 0.00 0.00 177.93 179.45 1jeb h ALA 88 N 0.75 0.00 0.09 2.45 0.00 -0.98 0.15 119.26 121.72 1jeb h ALA 88 Ca 0.06 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1jeb h ALA 88 Cb 0.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1jeb h ALA 88 CO 0.08 0.03 -1.29 -0.92 0.00 0.00 0.00 179.25 177.16 1jeb h TYR 89 N -0.85 0.34 0.00 0.00 3.20 -1.12 -2.97 116.97 115.58 1jeb h TYR 89 Ca 0.00 -0.25 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 1jeb h TYR 89 Cb 0.03 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 1jeb h TYR 89 CO -0.01 1.23 -0.50 0.82 -1.64 0.00 0.00 178.16 178.05 1jeb h ILE 90 N 0.05 0.12 0.00 1.81 2.04 -1.11 -3.40 117.51 117.01 1jeb h ILE 90 Ca -0.14 -1.13 -0.11 0.00 1.00 0.00 0.00 64.86 64.48 1jeb h ILE 90 Cb 1.94 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1jeb h ILE 90 CO 0.17 0.04 -0.51 -0.07 0.00 0.00 0.00 178.15 177.78 1jeb h LEU 91 N -1.00 0.00 -1.71 1.44 3.38 0.32 -3.48 115.31 114.26 1jeb h LEU 91 Ca -0.03 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.47 1jeb h LEU 91 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1jeb h LEU 91 CO -0.02 0.51 -0.85 0.54 0.09 0.00 0.00 178.44 178.71 1jeb n ARG 92 N -3.25 -4.22 -2.31 1.13 1.74 -0.07 -4.90 116.66 104.78 1jeb n ARG 92 Ca 0.02 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1jeb n ARG 92 Cb 0.72 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 27.20 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 -3.73 3.83 0.12 1.55 1.01 -0.52 -4.96 120.40 117.70 1jeb s VAL 93 Ca 0.12 1.25 -0.32 0.00 0.00 0.00 0.00 61.98 63.03 1jeb s VAL 93 Cb -0.06 -3.80 -0.11 0.00 0.00 0.00 0.00 36.38 32.40 1jeb s VAL 93 CO 0.85 0.04 1.79 -0.67 0.00 0.00 0.00 175.10 177.11 1jeb n ASP 94 N 4.75 3.86 0.14 3.32 -0.08 -1.26 -4.85 116.55 122.44 1jeb n ASP 94 Ca 0.11 1.01 0.19 0.00 -1.51 0.00 0.00 54.79 54.59 1jeb n ASP 94 Cb 0.45 -1.52 0.75 0.00 2.34 0.00 0.00 41.12 43.14 1jeb n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jeb h PRO 95 N 8.03 0.00 0.00 -0.67 0.11 -1.99 -0.94 132.00 136.54 1jeb h PRO 95 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1jeb h PRO 95 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1jeb h PRO 95 CO 0.94 0.00 -0.17 -0.24 -0.21 0.00 0.00 178.00 178.32 1jeb h VAL 96 N 0.00 0.84 0.00 3.15 3.04 -2.03 -2.29 116.25 118.97 1jeb h VAL 96 Ca 0.15 -0.66 -0.04 0.00 -1.01 0.00 0.00 66.70 65.15 1jeb h VAL 96 Cb 1.02 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1jeb h VAL 96 CO -0.00 0.17 -0.19 0.78 -1.01 0.00 0.00 177.57 177.32 1jeb h ASN 97 N 0.00 0.00 0.18 3.17 -0.26 -1.53 -2.52 115.58 114.62 1jeb h ASN 97 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 1jeb h ASN 97 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 1jeb h ASN 97 CO 0.02 0.19 -0.47 -0.26 -1.06 0.00 0.00 177.43 175.85 1jeb h PHE 98 N 0.00 0.42 -0.52 1.19 -1.00 -1.57 -1.05 116.94 114.40 1jeb h PHE 98 Ca -0.00 -0.13 -0.11 0.00 2.81 0.00 0.00 57.97 60.53 1jeb h PHE 98 Cb 0.43 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1jeb h PHE 98 CO 0.00 0.75 -0.13 0.87 -1.61 0.00 0.00 178.31 178.20 1jeb h LYS 99 N 0.28 0.98 -0.16 1.51 1.57 -1.57 -1.46 116.57 117.72 1jeb h LYS 99 Ca 0.02 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1jeb h LYS 99 Cb 0.93 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1jeb h LYS 99 CO 0.08 1.04 0.07 -0.07 -0.57 0.00 0.00 179.45 180.00 1jeb h LEU 100 N 0.87 0.22 -0.60 2.94 3.38 -1.24 -0.15 115.31 120.73 1jeb h LEU 100 Ca 0.13 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1jeb h LEU 100 Cb 0.68 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1jeb h LEU 100 CO 0.05 0.33 0.07 0.25 0.09 0.00 0.00 178.44 179.23 1jeb h LEU 101 N 0.11 0.97 -0.53 1.67 6.46 -1.14 -1.39 115.31 121.46 1jeb h LEU 101 Ca 0.05 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1jeb h LEU 101 Cb 0.17 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.82 1jeb h LEU 101 CO -0.00 1.00 0.31 0.28 -0.62 0.00 0.00 178.44 179.41 1jeb h SER 102 N 0.91 0.64 -0.46 1.25 0.02 -1.14 -0.97 113.55 113.79 1jeb h SER 102 Ca 0.18 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1jeb h SER 102 Cb 0.46 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1jeb h SER 102 CO 0.02 0.52 0.29 -0.74 -1.14 0.00 0.00 176.83 175.78 1jeb h HIS 103 N 0.70 0.56 -0.50 3.45 -0.00 -0.79 -1.22 115.15 117.35 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 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 1jeb h HIS 103 CO -0.02 0.34 0.15 0.00 -0.00 0.00 0.00 177.93 178.40 1jeb h LEU 105 N 0.72 0.71 -0.75 0.00 5.85 -0.76 -1.76 115.31 119.33 1jeb h LEU 105 Ca 0.17 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1jeb h LEU 105 Cb 0.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1jeb h LEU 105 CO -0.01 0.98 0.19 -0.07 -0.34 0.00 0.00 178.44 179.19 1jeb h LEU 106 N 0.58 1.07 -0.49 2.25 3.38 -0.53 -0.58 115.31 120.98 1jeb h LEU 106 Ca 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1jeb h LEU 106 Cb 0.84 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1jeb h LEU 106 CO 0.07 1.01 0.23 0.58 0.09 0.00 0.00 178.44 180.42 1jeb h VAL 107 N 1.08 1.20 -0.30 1.22 2.07 -0.99 -0.43 116.25 120.10 1jeb h VAL 107 Ca 0.23 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1jeb h VAL 107 Cb 0.35 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1jeb h VAL 107 CO -0.00 0.22 0.18 0.74 0.02 0.00 0.00 177.57 178.73 1jeb h THR 108 N 0.65 1.04 -0.64 2.57 2.02 -0.87 -0.64 112.91 117.04 1jeb h THR 108 Ca 0.17 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 1jeb h THR 108 Cb 0.14 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1jeb h THR 108 CO -0.02 0.07 0.26 -0.07 0.37 0.00 0.00 175.52 176.13 1jeb h LEU 109 N 0.36 0.88 -0.70 2.58 3.38 -0.90 0.50 115.31 121.42 1jeb h LEU 109 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jeb h LEU 109 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1jeb h LEU 109 CO -0.05 0.81 0.33 0.00 0.09 0.00 0.00 178.44 179.62 1jeb h ALA 110 N 1.11 0.90 -0.28 1.53 0.00 -0.79 0.23 119.26 121.96 1jeb h ALA 110 Ca 0.21 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1jeb h ALA 110 Cb 0.20 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jeb h ALA 110 CO -0.02 0.47 -0.48 0.00 0.00 0.00 0.00 179.25 179.22 1jeb h ALA 111 N 1.16 0.62 0.02 0.00 0.00 -0.81 -3.09 119.26 117.16 1jeb h ALA 111 Ca 0.24 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1jeb h ALA 111 Cb 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jeb h ALA 111 CO -0.03 0.68 -0.46 0.00 0.00 0.00 0.00 179.25 179.44 1jeb h ARG 112 N 0.60 0.27 -2.19 0.00 2.47 -0.67 -3.40 114.38 111.46 1jeb h ARG 112 Ca 0.03 -0.32 -0.58 0.00 -1.26 0.00 0.00 59.98 57.85 1jeb h ARG 112 Cb 1.05 0.10 -0.41 0.00 -1.65 0.00 0.00 29.97 29.05 1jeb h ARG 112 CO 0.10 1.05 -0.74 1.19 0.56 0.00 0.00 179.97 182.13 1jeb n PHE 113 N -4.34 3.01 -0.34 3.04 3.01 0.78 -4.95 117.46 117.67 1jeb n PHE 113 Ca -0.11 -3.99 0.14 0.00 1.01 0.00 0.00 57.45 54.50 1jeb n PHE 113 Cb 0.62 -0.49 0.34 0.00 -0.01 0.00 0.00 39.48 39.94 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 3.47 0.70 -0.15 -1.08 0.13 -1.72 -0.55 132.00 132.81 1jeb h PRO 114 Ca 0.14 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.15 1jeb h PRO 114 Cb 0.65 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1jeb h PRO 114 CO 0.75 0.47 -0.29 0.00 -0.23 0.00 0.00 178.00 178.70 1jeb h ALA 115 N 1.64 1.25 0.00 -0.56 0.00 -1.92 -2.87 119.26 116.80 1jeb h ALA 115 Ca 0.57 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1jeb h ALA 115 Cb 0.94 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1jeb h ALA 115 CO -0.36 0.50 -0.84 -0.44 0.00 0.00 0.00 179.25 178.11 1jeb h ASP 116 N 0.25 0.00 -0.29 0.00 3.32 -1.66 -3.40 116.42 114.64 1jeb h ASP 116 Ca 0.04 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.37 1jeb h ASP 116 Cb 0.64 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 1jeb h ASP 116 CO 0.05 0.37 3.02 0.33 -1.72 0.00 0.00 179.24 181.29 1jeb n PHE 117 N -2.99 3.23 -2.00 4.55 7.35 -0.32 -4.67 117.46 122.61 1jeb n PHE 117 Ca -0.02 -2.96 -0.29 0.00 -0.76 0.00 0.00 57.45 53.43 1jeb n PHE 117 Cb 0.71 -2.42 0.14 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 2.39 2.04 0.25 -2.13 -4.23 -1.26 -4.83 115.64 107.88 1jeb s THR 118 Ca 0.49 -0.07 -0.04 0.00 -1.18 0.00 0.00 61.69 60.90 1jeb s THR 118 Cb 0.14 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 71.16 1jeb s THR 118 CO -0.07 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 175.81 1jeb h ALA 119 N -1.27 1.14 -0.36 3.99 0.00 -1.99 -0.64 119.26 120.13 1jeb h ALA 119 Ca -0.44 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1jeb h ALA 119 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1jeb h ALA 119 CO 0.49 0.59 0.06 1.49 0.00 0.00 0.00 179.25 181.88 1jeb h GLU 120 N 0.92 0.60 -0.56 0.00 4.81 -1.95 -0.14 114.58 118.25 1jeb h GLU 120 Ca 0.20 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1jeb h GLU 120 Cb 0.29 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1jeb h GLU 120 CO -0.00 0.67 0.13 0.00 -0.73 0.00 0.00 179.01 179.07 1jeb h ALA 121 N 0.91 1.16 -0.15 2.92 0.00 -1.77 -1.12 119.26 121.20 1jeb h ALA 121 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jeb h ALA 121 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jeb h ALA 121 CO 0.01 0.57 0.07 1.25 0.00 0.00 0.00 179.25 181.14 1jeb h HIS 122 N 0.84 0.23 -0.69 0.00 -0.00 -0.83 -1.00 115.15 113.69 1jeb h HIS 122 Ca 0.18 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 1jeb h HIS 122 Cb 0.32 -0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 27.62 1jeb h HIS 122 CO 0.02 0.28 0.43 0.00 -0.00 0.00 0.00 177.93 178.66 1jeb h ALA 123 N 0.93 0.90 -0.36 5.26 0.00 -0.66 0.14 119.26 125.46 1jeb h ALA 123 Ca 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1jeb h ALA 123 Cb 0.14 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jeb h ALA 123 CO -0.01 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.54 1jeb h ALA 124 N 1.29 0.48 -0.47 0.00 0.00 -1.02 -1.82 119.26 117.73 1jeb h ALA 124 Ca 0.28 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1jeb h ALA 124 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1jeb h ALA 124 CO -0.10 0.16 -0.16 -1.49 0.00 0.00 0.00 179.25 177.66 1jeb h TRP 125 N 0.44 1.02 -0.36 0.00 4.06 -0.84 -0.89 115.95 119.37 1jeb h TRP 125 Ca 0.11 -0.22 0.02 0.00 2.06 0.00 0.00 58.89 60.87 1jeb h TRP 125 Cb 0.32 -0.25 -0.03 0.00 -1.00 0.00 0.00 29.16 28.20 1jeb h TRP 125 CO 0.02 0.99 0.19 0.22 -3.56 0.00 0.00 178.44 176.30 1jeb h ASP 126 N 0.80 0.29 -0.48 -3.49 3.58 -0.86 0.19 116.42 116.45 1jeb h ASP 126 Ca 0.12 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1jeb h ASP 126 Cb 0.69 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.68 1jeb h ASP 126 CO 0.05 0.21 0.12 0.50 -2.88 0.00 0.00 179.24 177.25 1jeb h LYS 127 N 0.39 0.76 -0.13 0.28 3.64 -1.15 -1.35 116.57 119.01 1jeb h LYS 127 Ca 0.15 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1jeb h LYS 127 Cb 0.04 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1jeb h LYS 127 CO -0.09 0.74 0.08 0.35 -2.27 0.00 0.00 179.45 178.27 1jeb h PHE 128 N 0.65 0.16 -0.06 1.91 3.57 -0.76 -1.19 116.94 121.22 1jeb h PHE 128 Ca 0.15 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1jeb h PHE 128 Cb 0.32 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1jeb h PHE 128 CO 0.02 0.10 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.87 1jeb h LEU 129 N 0.17 0.11 -0.75 0.59 3.38 -0.56 -0.73 115.31 117.53 1jeb h LEU 129 Ca 0.05 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1jeb h LEU 129 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1jeb h LEU 129 CO -0.01 0.38 -0.38 -1.28 0.09 0.00 0.00 178.44 177.23 1jeb h SER 130 N 0.10 0.54 -0.23 -0.43 0.87 -0.86 0.74 113.55 114.29 1jeb h SER 130 Ca 0.02 -0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 1jeb h SER 130 Cb 0.52 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1jeb h SER 130 CO 0.04 0.87 -0.16 0.58 -0.53 0.00 0.00 176.83 177.62 1jeb h VAL 131 N 0.43 1.31 -0.88 2.23 2.07 -0.50 -1.46 116.25 119.45 1jeb h VAL 131 Ca 0.04 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.30 1jeb h VAL 131 Cb 0.86 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1jeb h VAL 131 CO 0.07 0.39 0.58 0.58 0.02 0.00 0.00 177.57 179.21 1jeb h VAL 132 N 0.21 1.21 -0.65 2.57 2.07 -0.94 -2.62 116.25 118.10 1jeb h VAL 132 Ca 0.04 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.07 1jeb h VAL 132 Cb 0.68 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1jeb h VAL 132 CO 0.04 0.21 0.07 0.28 0.02 0.00 0.00 177.57 178.19 1jeb h SER 133 N 1.17 1.07 -0.76 0.57 0.02 -0.70 -2.56 113.55 112.35 1jeb h SER 133 Ca 0.33 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1jeb h SER 133 Cb -0.11 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.11 1jeb h SER 133 CO -0.08 1.08 0.30 0.77 -1.14 0.00 0.00 176.83 177.77 1jeb h SER 134 N 1.02 1.06 -0.57 3.07 4.64 -0.99 -1.66 113.55 120.12 1jeb h SER 134 Ca 0.19 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jeb h SER 134 Cb 0.49 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1jeb h SER 134 CO 0.02 0.94 0.37 0.58 -0.87 0.00 0.00 176.83 177.87 1jeb h VAL 135 N 1.11 1.15 0.00 0.95 2.07 -1.31 0.57 116.25 120.80 1jeb h VAL 135 Ca 0.25 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1jeb h VAL 135 Cb 0.22 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jeb h VAL 135 CO -0.02 0.15 -0.07 -0.07 0.02 0.00 0.00 177.57 177.58 1jeb h LEU 136 N 0.77 0.00 -1.92 2.57 -0.00 -1.10 -2.99 115.31 112.64 1jeb h LEU 136 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1jeb h LEU 136 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1jeb h LEU 136 CO -0.04 0.07 0.00 0.35 -0.00 0.00 0.00 178.44 178.82 1jeb n THR 137 N -3.20 0.34 0.25 0.22 -2.24 -0.66 -4.13 114.28 104.87 1jeb n THR 137 Ca 0.00 -0.67 0.18 0.00 -2.27 0.00 0.00 64.05 61.29 1jeb n THR 137 Cb 0.34 0.97 0.89 0.00 -2.10 0.00 0.00 70.33 70.43 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 2.05 0.00 -0.38 -0.78 4.11 0.29 0.19 114.58 120.06 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 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 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 -3.43 1.00 -0.00 1.06 4.76 -1.26 -3.87 118.16 116.42 1jeb n LYS 139 Ca 0.00 -0.01 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jeb n LYS 139 Cb 0.31 -1.19 -0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1jeb n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1jeb n TYR 140 N -0.31 0.00 0.82 2.13 0.53 0.05 -4.88 117.16 115.50 1jeb n TYR 140 Ca 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.95 1jeb n TYR 140 Cb 0.10 -0.00 0.39 0.00 -1.03 0.00 0.00 39.34 38.79 1jeb n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38