#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jeb s HIS 2 N 0.00 3.36 -0.15 3.52 5.04 -1.26 -4.76 115.29 121.04 1jeb s HIS 2 Ca 0.00 0.16 -0.07 0.00 -1.54 0.00 0.00 55.06 53.61 1jeb s HIS 2 Cb 0.00 -1.94 0.06 0.00 0.04 0.00 0.00 32.58 30.74 1jeb s HIS 2 CO 0.00 0.05 0.35 -0.51 -2.34 0.00 0.00 174.74 172.29 1jeb s LEU 3 N -4.28 -0.04 0.51 8.88 1.43 -1.26 -5.01 118.68 118.90 1jeb s LEU 3 Ca 0.42 0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 54.07 1jeb s LEU 3 Cb -0.10 1.12 -0.06 0.00 0.03 0.00 0.00 46.19 47.18 1jeb s LEU 3 CO 0.34 -0.19 1.28 0.42 0.23 0.00 0.00 176.35 178.43 1jeb s THR 4 N 1.61 2.51 0.25 5.49 -4.23 -1.26 -4.64 115.64 115.36 1jeb s THR 4 Ca -0.08 0.38 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1jeb s THR 4 Cb -0.10 -3.20 0.22 0.00 1.34 0.00 0.00 72.50 70.77 1jeb s THR 4 CO -0.11 -0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.16 1jeb h ASP 5 N 1.73 0.43 -1.01 3.99 3.32 -2.00 0.76 116.42 123.65 1jeb h ASP 5 Ca -0.50 0.09 0.18 0.00 0.02 0.00 0.00 57.03 56.82 1jeb h ASP 5 Cb 1.28 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 40.76 1jeb h ASP 5 CO 0.59 0.19 0.62 0.00 -1.72 0.00 0.00 179.24 178.91 1jeb h ALA 6 N 1.53 1.65 0.00 3.45 0.00 -2.00 0.95 119.26 124.84 1jeb h ALA 6 Ca 0.42 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 1jeb h ALA 6 Cb 0.59 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jeb h ALA 6 CO -0.36 -0.00 -0.41 0.93 0.00 0.00 0.00 179.25 179.41 1jeb h GLU 7 N 0.80 0.27 -1.08 0.00 5.08 -0.57 -3.04 114.58 116.05 1jeb h GLU 7 Ca 0.57 -0.30 0.30 0.00 -1.00 0.00 0.00 59.36 58.93 1jeb h GLU 7 Cb 0.84 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 30.06 1jeb h GLU 7 CO -0.37 1.01 0.68 0.87 -1.00 0.00 0.00 179.01 180.20 1jeb h LYS 8 N -0.34 0.35 0.68 2.33 1.57 0.19 -0.08 116.57 121.27 1jeb h LYS 8 Ca -0.05 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1jeb h LYS 8 Cb 1.15 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.39 1jeb h LYS 8 CO 0.08 0.23 -0.33 0.00 -0.57 0.00 0.00 179.45 178.87 1jeb h ALA 9 N 1.65 -0.93 -0.87 3.86 0.00 -0.88 -2.23 119.26 119.87 1jeb h ALA 9 Ca 0.65 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.49 1jeb h ALA 9 Cb 1.66 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 19.66 1jeb h ALA 9 CO -0.37 -0.86 -0.40 0.00 0.00 0.00 0.00 179.25 177.62 1jeb h ALA 10 N -1.27 -0.01 -0.99 0.00 0.00 -0.93 0.80 119.26 116.85 1jeb h ALA 10 Ca -0.09 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jeb h ALA 10 Cb 0.70 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1jeb h ALA 10 CO 0.15 -0.69 0.65 0.28 0.00 0.00 0.00 179.25 179.64 1jeb h VAL 11 N -0.06 1.22 -0.14 0.00 2.07 -1.36 0.24 116.25 118.23 1jeb h VAL 11 Ca 0.29 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1jeb h VAL 11 Cb 0.57 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1jeb h VAL 11 CO -0.89 0.24 0.01 0.28 0.02 0.00 0.00 177.57 177.23 1jeb h SER 12 N 1.31 0.23 0.02 0.57 0.02 0.51 -2.52 113.55 113.67 1jeb h SER 12 Ca 0.37 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1jeb h SER 12 Cb -0.10 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1jeb h SER 12 CO -0.09 0.45 -0.01 1.23 -1.14 0.00 0.00 176.83 177.27 1jeb h GLY 13 N -0.00 -0.02 -0.51 -3.77 0.00 0.67 -3.24 103.07 96.20 1jeb h GLY 13 Ca 0.04 0.01 0.34 0.00 0.00 0.00 0.00 47.33 47.71 1jeb h GLY 13 CO 0.00 -0.01 0.76 1.41 0.00 0.00 0.00 176.54 178.71 1jeb h LEU 14 N -0.03 0.32 -0.67 3.11 3.38 -1.10 1.18 115.31 121.51 1jeb h LEU 14 Ca -0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jeb h LEU 14 Cb 0.02 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jeb h LEU 14 CO 0.00 -0.01 0.00 1.87 0.09 0.00 0.00 178.44 180.39 1jeb n TRP 15 N -4.59 0.83 0.07 1.13 -0.00 -0.95 -2.71 117.44 111.21 1jeb n TRP 15 Ca 0.30 0.32 -0.23 0.00 -0.00 0.00 0.00 57.50 57.89 1jeb n TRP 15 Cb 1.12 -1.02 -0.15 0.00 -0.00 0.00 0.00 31.31 31.26 1jeb n TRP 15 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1jeb h GLY 16 N 2.39 0.43 2.00 5.87 0.00 0.14 -3.33 103.07 110.57 1jeb h GLY 16 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1jeb h GLY 16 CO 0.00 0.97 0.00 0.28 0.00 0.00 0.00 176.54 177.79 1jeb n LYS 17 N -3.58 0.05 -4.08 4.80 5.02 -1.08 -4.75 118.16 114.54 1jeb n LYS 17 Ca -0.25 0.39 -0.25 0.00 -2.02 0.00 0.00 58.31 56.18 1jeb n LYS 17 Cb 1.07 -1.61 -0.05 0.00 -0.02 0.00 0.00 35.03 34.42 1jeb n LYS 17 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jeb s VAL 18 N -3.11 4.55 -0.75 -0.18 0.11 -1.21 -5.04 120.40 114.76 1jeb s VAL 18 Ca 0.04 -1.15 -0.20 0.00 -2.93 0.00 0.00 61.98 57.73 1jeb s VAL 18 Cb 0.06 -3.37 0.10 0.00 -1.53 0.00 0.00 36.38 31.65 1jeb s VAL 18 CO 0.21 -0.18 0.99 0.21 -3.33 0.00 0.00 175.10 172.99 1jeb s ASN 19 N -3.35 6.35 0.15 3.54 3.84 -1.26 -4.94 114.94 119.28 1jeb s ASN 19 Ca 0.32 -1.47 -0.30 0.00 0.21 0.00 0.00 52.86 51.62 1jeb s ASN 19 Cb -0.09 -2.39 -0.04 0.00 -0.55 0.00 0.00 41.25 38.17 1jeb s ASN 19 CO 0.24 -1.24 1.55 0.00 -2.79 0.00 0.00 177.10 174.86 1jeb h ALA 20 N 9.22 -0.55 -1.00 1.71 0.00 -1.94 -1.87 119.26 124.82 1jeb h ALA 20 Ca -0.11 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1jeb h ALA 20 Cb 1.05 1.12 -0.10 0.00 0.00 0.00 0.00 17.79 19.86 1jeb h ALA 20 CO 1.14 -0.95 0.62 -0.44 0.00 0.00 0.00 179.25 179.62 1jeb h ASP 21 N -0.25 0.63 -0.41 0.00 3.45 -1.93 -0.33 116.42 117.59 1jeb h ASP 21 Ca 0.14 0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.55 1jeb h ASP 21 Cb 0.55 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.30 1jeb h ASP 21 CO -0.71 0.18 -0.29 -0.33 -1.57 0.00 0.00 179.24 176.51 1jeb h GLU 22 N 0.59 0.92 0.20 3.56 5.08 -1.75 -2.76 114.58 120.41 1jeb h GLU 22 Ca 0.58 -0.44 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1jeb h GLU 22 Cb 1.16 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1jeb h GLU 22 CO -0.35 1.10 -0.34 0.28 -1.00 0.00 0.00 179.01 178.69 1jeb h VAL 23 N 0.74 0.29 -0.53 3.13 2.07 -0.70 -0.34 116.25 120.90 1jeb h VAL 23 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 1jeb h VAL 23 Cb 0.88 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1jeb h VAL 23 CO 0.08 0.00 0.18 1.23 0.02 0.00 0.00 177.57 179.08 1jeb h GLY 24 N -0.62 0.71 1.36 2.17 0.00 -1.39 0.53 103.07 105.83 1jeb h GLY 24 Ca 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1jeb h GLY 24 CO -0.15 -0.01 -0.09 -1.33 0.00 0.00 0.00 176.54 174.96 1jeb h GLY 25 N 0.35 0.82 1.85 4.60 0.00 -1.27 -1.07 103.07 108.35 1jeb h GLY 25 Ca 0.26 -0.60 -0.21 0.00 0.00 0.00 0.00 47.33 46.78 1jeb h GLY 25 CO -0.28 0.56 -0.97 0.83 0.00 0.00 0.00 176.54 176.68 1jeb h GLU 26 N 0.69 0.12 -0.22 4.80 5.08 -0.46 -1.94 114.58 122.65 1jeb h GLU 26 Ca 0.12 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1jeb h GLU 26 Cb 0.56 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1jeb h GLU 26 CO 0.03 0.99 -0.18 0.00 -1.00 0.00 0.00 179.01 178.86 1jeb h ALA 27 N 0.94 0.32 -0.30 3.43 0.00 0.17 -1.33 119.26 122.49 1jeb h ALA 27 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1jeb h ALA 27 Cb 1.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1jeb h ALA 27 CO 0.14 0.24 0.11 1.25 0.00 0.00 0.00 179.25 180.99 1jeb h LEU 28 N 0.21 0.43 -0.39 0.00 6.46 -1.23 -1.78 115.31 119.01 1jeb h LEU 28 Ca 0.04 -0.18 0.03 0.00 -0.12 0.00 0.00 57.88 57.65 1jeb h LEU 28 Cb 0.71 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1jeb h LEU 28 CO 0.05 0.50 0.19 1.23 -0.62 0.00 0.00 178.44 179.78 1jeb h GLY 29 N 0.33 0.53 1.33 3.75 0.00 -1.32 -1.30 103.07 106.39 1jeb h GLY 29 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1jeb h GLY 29 CO -0.01 0.09 0.41 3.21 0.00 0.00 0.00 176.54 180.25 1jeb h ARG 30 N 0.38 0.89 -0.11 4.80 3.08 -1.09 -0.60 114.38 121.72 1jeb h ARG 30 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1jeb h ARG 30 Cb 0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1jeb h ARG 30 CO -0.13 0.61 0.07 1.25 -1.07 0.00 0.00 179.97 180.71 1jeb h LEU 31 N 0.91 0.13 -1.21 3.04 5.85 -0.39 0.21 115.31 123.84 1jeb h LEU 31 Ca 0.24 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 1jeb h LEU 31 Cb -0.06 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1jeb h LEU 31 CO -0.05 0.09 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.75 1jeb h LEU 32 N 0.15 0.11 0.00 2.25 3.38 -0.67 -1.27 115.31 119.27 1jeb h LEU 32 Ca 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jeb h LEU 32 Cb -0.02 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1jeb h LEU 32 CO -0.01 0.44 -0.17 0.58 0.09 0.00 0.00 178.44 179.37 1jeb h VAL 33 N 0.10 1.68 0.00 1.22 2.07 -0.80 -3.18 116.25 117.35 1jeb h VAL 33 Ca 0.01 -2.33 -0.09 0.00 0.82 0.00 0.00 66.70 65.12 1jeb h VAL 33 Cb 0.63 3.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.63 1jeb h VAL 33 CO 0.05 0.57 -0.42 0.58 0.02 0.00 0.00 177.57 178.37 1jeb h VAL 34 N -0.99 1.21 -2.31 2.57 2.07 -0.63 -3.32 116.25 114.84 1jeb h VAL 34 Ca -0.05 -1.47 -0.59 0.00 0.82 0.00 0.00 66.70 65.42 1jeb h VAL 34 Cb 1.05 1.81 -0.41 0.00 -1.52 0.00 0.00 31.29 32.22 1jeb h VAL 34 CO -0.03 0.41 -0.79 -1.22 0.02 0.00 0.00 177.57 175.97 1jeb n TYR 35 N -3.92 1.85 -0.32 1.57 4.01 -0.48 -4.99 117.16 114.88 1jeb n TYR 35 Ca -0.01 -3.91 0.34 0.00 -0.16 0.00 0.00 57.90 54.16 1jeb n TYR 35 Cb 0.46 -0.41 0.58 0.00 -0.31 0.00 0.00 39.34 39.66 1jeb n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1jeb h PRO 36 N 4.52 0.00 0.00 -0.72 0.13 -1.66 0.06 132.00 134.32 1jeb h PRO 36 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1jeb h PRO 36 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1jeb h PRO 36 CO 0.65 0.00 -0.31 0.11 -0.23 0.00 0.00 178.00 178.22 1jeb h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.66 115.95 113.02 1jeb h TRP 37 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.56 1jeb h TRP 37 Cb 2.94 0.00 0.00 0.00 0.08 0.00 0.00 29.16 32.18 1jeb h TRP 37 CO 0.00 0.31 0.00 0.25 0.09 0.00 0.00 178.44 179.09 1jeb n THR 38 N -3.41 1.33 0.23 0.12 -2.24 0.01 -1.59 114.28 108.74 1jeb n THR 38 Ca 0.00 0.38 0.10 0.00 -2.27 0.00 0.00 64.05 62.26 1jeb n THR 38 Cb 0.50 -1.26 0.54 0.00 -2.10 0.00 0.00 70.33 68.01 1jeb n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1jeb h GLN 39 N 0.00 0.00 -0.54 -0.78 4.20 -1.65 -3.12 115.11 113.22 1jeb h GLN 39 Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1jeb h GLN 39 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1jeb h GLN 39 CO 0.00 0.22 0.55 -0.09 -0.67 0.00 0.00 178.83 178.84 1jeb h ARG 40 N 0.00 0.00 -0.53 1.46 2.43 -1.50 0.24 114.38 116.48 1jeb h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jeb h ARG 40 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1jeb h ARG 40 CO 0.03 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 1jeb n TYR 41 N -3.73 0.77 -2.70 2.20 4.02 -1.18 -4.35 117.16 112.19 1jeb n TYR 41 Ca 0.11 -0.35 -0.07 0.00 -0.01 0.00 0.00 57.90 57.57 1jeb n TYR 41 Cb 0.76 -0.05 0.04 0.00 -0.02 0.00 0.00 39.34 40.06 1jeb n TYR 41 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1jeb n PHE 42 N 0.88 1.40 0.15 -0.72 3.72 0.85 -4.85 117.46 118.88 1jeb n PHE 42 Ca 0.17 -2.49 0.03 0.00 -0.05 0.00 0.00 57.45 55.11 1jeb n PHE 42 Cb 0.49 -0.30 0.42 0.00 -0.94 0.00 0.00 39.48 39.15 1jeb n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1jeb h ASP 43 N 2.76 0.16 -0.42 4.37 5.19 -1.76 -3.05 116.42 123.67 1jeb h ASP 43 Ca -0.07 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1jeb h ASP 43 Cb 1.22 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1jeb h ASP 43 CO 0.39 0.33 0.28 0.28 -3.12 0.00 0.00 179.24 177.40 1jeb h SER 44 N 0.16 0.49 0.00 6.45 0.02 -1.94 -2.98 113.55 115.76 1jeb h SER 44 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jeb h SER 44 Cb 0.36 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1jeb h SER 44 CO 0.02 0.35 0.17 0.49 -1.14 0.00 0.00 176.83 176.73 1jeb n PHE 45 N -4.79 0.00 -0.38 3.45 3.01 -1.15 -4.91 117.46 112.68 1jeb n PHE 45 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1jeb n PHE 45 Cb 0.02 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1jeb n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jeb n GLY 46 N -1.24 0.76 3.60 1.37 0.00 -1.13 -4.72 105.19 103.84 1jeb n GLY 46 Ca 0.00 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1jeb n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jeb s ASP 47 N -4.00 6.33 -0.13 1.61 2.15 -1.26 -4.82 116.67 116.56 1jeb s ASP 47 Ca 0.00 0.79 0.15 0.00 0.43 0.00 0.00 52.55 53.93 1jeb s ASP 47 Cb 0.00 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.45 1jeb s ASP 47 CO 0.00 -1.44 1.18 0.18 -0.17 0.00 0.00 175.17 174.92 1jeb n LEU 48 N 8.83 2.02 0.16 -1.34 4.77 -1.26 -4.46 117.00 125.71 1jeb n LEU 48 Ca 0.16 -3.09 0.12 0.00 -0.03 0.00 0.00 56.01 53.18 1jeb n LEU 48 Cb 0.48 -0.34 0.56 0.00 -2.33 0.00 0.00 43.42 41.79 1jeb n LEU 48 CO 0.71 0.99 0.87 0.77 -1.33 0.00 0.00 177.39 179.39 1jeb h SER 49 N 0.78 0.00 -5.09 -1.43 4.64 -1.95 -3.46 113.55 107.05 1jeb h SER 49 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1jeb h SER 49 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 1jeb h SER 49 CO 0.03 0.00 0.06 -0.94 -0.87 0.00 0.00 176.83 175.10 1jeb s SER 50 N -4.31 -0.25 0.06 4.97 1.04 -1.26 -5.05 113.70 108.89 1jeb s SER 50 Ca 0.02 -0.55 -0.31 0.00 0.48 0.00 0.00 55.95 55.58 1jeb s SER 50 Cb 0.08 0.61 -0.17 0.00 0.10 0.00 0.00 66.02 66.65 1jeb s SER 50 CO 0.34 -1.12 1.48 0.00 0.98 0.00 0.00 173.24 174.92 1jeb h ALA 51 N 2.16 -1.23 -0.81 5.32 0.00 -1.97 0.56 119.26 123.28 1jeb h ALA 51 Ca -0.27 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.56 1jeb h ALA 51 Cb 1.26 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 19.49 1jeb h ALA 51 CO 0.34 -1.19 0.41 0.66 0.00 0.00 0.00 179.25 179.47 1jeb h SER 52 N -1.05 0.50 -0.09 0.00 4.64 -1.98 0.44 113.55 116.02 1jeb h SER 52 Ca -0.09 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jeb h SER 52 Cb 0.83 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1jeb h SER 52 CO 0.10 0.23 0.05 0.00 -0.87 0.00 0.00 176.83 176.34 1jeb h ALA 53 N 1.53 0.11 -0.36 5.18 0.00 -1.87 -1.35 119.26 122.50 1jeb h ALA 53 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1jeb h ALA 53 Cb 0.58 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1jeb h ALA 53 CO -0.34 -0.36 0.24 0.82 0.00 0.00 0.00 179.25 179.60 1jeb h ILE 54 N 0.06 1.09 0.00 0.00 2.04 0.19 -0.20 117.51 120.68 1jeb h ILE 54 Ca 0.03 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jeb h ILE 54 Cb 0.06 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1jeb h ILE 54 CO -0.01 0.09 0.00 0.24 0.00 0.00 0.00 178.15 178.47 1jeb h MET 55 N 0.48 0.00 -0.20 2.37 2.86 -0.06 -2.53 114.93 117.86 1jeb h MET 55 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1jeb h MET 55 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1jeb h MET 55 CO -0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.35 1jeb n GLY 56 N -0.24 1.18 3.66 8.32 0.00 -0.52 -4.95 105.19 112.64 1jeb n GLY 56 Ca 0.01 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1jeb n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jeb s ASN 57 N -1.06 6.86 0.16 1.61 3.84 -0.16 -4.93 114.94 121.26 1jeb s ASN 57 Ca 0.21 1.77 -0.16 0.00 0.21 0.00 0.00 52.86 54.90 1jeb s ASN 57 Cb 0.13 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.37 1jeb s ASN 57 CO 0.18 -0.82 1.75 0.00 -2.79 0.00 0.00 177.10 175.42 1jeb h ALA 58 N 8.58 0.45 0.00 1.71 0.00 -1.90 -1.99 119.26 126.11 1jeb h ALA 58 Ca -0.29 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jeb h ALA 58 Cb 1.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1jeb h ALA 58 CO 0.97 -0.25 -0.17 0.87 0.00 0.00 0.00 179.25 180.67 1jeb h LYS 59 N 0.30 0.00 -0.11 0.00 1.57 -1.92 -0.42 116.57 115.99 1jeb h LYS 59 Ca 0.17 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 1jeb h LYS 59 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1jeb h LYS 59 CO -0.18 0.17 -0.40 0.28 -0.57 0.00 0.00 179.45 178.75 1jeb h VAL 60 N 0.00 1.38 -0.50 0.50 2.07 -1.71 -2.40 116.25 115.58 1jeb h VAL 60 Ca -0.00 -1.73 -0.10 0.00 0.82 0.00 0.00 66.70 65.70 1jeb h VAL 60 Cb 0.32 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1jeb h VAL 60 CO 0.02 0.51 -0.08 0.11 0.02 0.00 0.00 177.57 178.16 1jeb h LYS 61 N 0.05 0.90 -0.71 1.57 1.57 -1.08 -2.10 116.57 116.76 1jeb h LYS 61 Ca -0.02 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 1jeb h LYS 61 Cb 1.03 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 1jeb h LYS 61 CO 0.08 0.94 0.26 0.00 -0.57 0.00 0.00 179.45 180.17 1jeb h ALA 62 N 1.09 0.93 -0.12 3.86 0.00 -1.10 -2.71 119.26 121.21 1jeb h ALA 62 Ca 0.14 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1jeb h ALA 62 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jeb h ALA 62 CO 0.04 0.58 -0.53 1.25 0.00 0.00 0.00 179.25 180.59 1jeb h HIS 63 N 1.03 0.43 -0.35 0.00 -0.00 -1.28 -2.70 115.15 112.29 1jeb h HIS 63 Ca 0.24 -0.15 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1jeb h HIS 63 Cb 0.25 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1jeb h HIS 63 CO 0.02 0.80 0.23 0.78 -0.00 0.00 0.00 177.93 179.77 1jeb h GLY 64 N 1.27 0.38 0.96 5.26 0.00 -1.07 -1.02 103.07 108.85 1jeb h GLY 64 Ca 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1jeb h GLY 64 CO 0.09 0.12 0.28 1.70 0.00 0.00 0.00 176.54 178.72 1jeb h LYS 65 N 0.34 0.55 -0.30 4.80 3.64 -1.22 0.31 116.57 124.69 1jeb h LYS 65 Ca 0.14 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 1jeb h LYS 65 Cb 0.15 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1jeb h LYS 65 CO -0.03 0.37 -0.39 0.87 -2.27 0.00 0.00 179.45 177.99 1jeb h LYS 66 N 0.57 0.71 -0.49 1.90 1.57 -1.28 0.10 116.57 119.64 1jeb h LYS 66 Ca 0.17 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1jeb h LYS 66 Cb -0.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1jeb h LYS 66 CO -0.05 0.98 -0.10 0.28 -0.57 0.00 0.00 179.45 179.98 1jeb h VAL 67 N 0.58 1.27 0.00 0.50 2.07 -0.83 -0.71 116.25 119.13 1jeb h VAL 67 Ca 0.05 -1.24 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 1jeb h VAL 67 Cb 0.93 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1jeb h VAL 67 CO 0.08 0.43 -0.51 -0.29 0.02 0.00 0.00 177.57 177.30 1jeb h ILE 68 N 0.79 1.10 -0.04 4.57 6.09 -0.30 -0.22 117.51 129.51 1jeb h ILE 68 Ca 0.13 -1.95 -0.02 0.00 -1.37 0.00 0.00 64.86 61.66 1jeb h ILE 68 Cb 0.66 2.14 -0.00 0.00 0.47 0.00 0.00 36.82 40.08 1jeb h ILE 68 CO 0.05 0.50 -0.04 0.74 -3.07 0.00 0.00 178.15 176.33 1jeb h THR 69 N 0.00 1.38 -0.38 2.19 2.02 -0.70 -0.15 112.91 117.27 1jeb h THR 69 Ca -0.01 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1jeb h THR 69 Cb 1.09 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 1jeb h THR 69 CO 0.07 0.32 0.25 0.00 0.37 0.00 0.00 175.52 176.52 1jeb h ALA 70 N 0.54 0.48 -0.97 6.16 0.00 -1.05 -0.56 119.26 123.86 1jeb h ALA 70 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1jeb h ALA 70 Cb 0.53 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 1jeb h ALA 70 CO 0.01 -0.06 0.60 0.35 0.00 0.00 0.00 179.25 180.16 1jeb h PHE 71 N 0.51 1.10 -0.62 0.00 3.04 -0.97 -0.32 116.94 119.68 1jeb h PHE 71 Ca 0.14 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.06 1jeb h PHE 71 Cb -0.05 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 38.08 1jeb h PHE 71 CO -0.05 0.46 0.15 -0.97 -2.02 0.00 0.00 178.31 175.89 1jeb h ASN 72 N 0.99 0.91 0.09 0.41 -1.24 0.15 -0.98 115.58 115.91 1jeb h ASN 72 Ca 0.47 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 1jeb h ASN 72 Cb 0.40 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1jeb h ASN 72 CO -0.24 0.88 -0.04 -0.78 -1.29 0.00 0.00 177.43 175.95 1jeb h ASP 73 N 0.93 -0.10 0.21 1.15 3.58 0.40 -0.87 116.42 121.71 1jeb h ASP 73 Ca 0.20 -0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1jeb h ASP 73 Cb 0.33 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1jeb h ASP 73 CO -0.00 0.03 -0.01 1.23 -2.88 0.00 0.00 179.24 177.61 1jeb h GLY 74 N -0.22 0.00 2.00 -0.78 0.00 -1.06 0.59 103.07 103.61 1jeb h GLY 74 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1jeb h GLY 74 CO 0.02 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 174.25 1jeb h LEU 75 N 0.00 0.00 -0.30 3.11 5.85 0.18 -2.75 115.31 121.39 1jeb h LEU 75 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jeb h LEU 75 Cb 0.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1jeb h LEU 75 CO 0.00 0.31 -0.44 0.59 -0.34 0.00 0.00 178.44 178.56 1jeb n ASN 76 N -3.26 0.92 -2.85 1.25 3.02 0.16 -4.30 115.26 110.19 1jeb n ASN 76 Ca 0.02 -0.72 -0.16 0.00 -0.03 0.00 0.00 54.58 53.69 1jeb n ASN 76 Cb 0.58 0.30 -0.00 0.00 -0.61 0.00 0.00 39.78 40.05 1jeb n ASN 76 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jeb n HIS 77 N -1.00 1.43 0.60 3.10 8.25 -0.94 -4.91 115.22 121.74 1jeb n HIS 77 Ca 0.09 -3.31 0.03 0.00 -0.26 0.00 0.00 57.72 54.26 1jeb n HIS 77 Cb 0.35 -0.37 0.18 0.00 1.12 0.00 0.00 29.99 31.28 1jeb n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jeb n LEU 78 N -0.02 0.00 -0.00 2.41 4.77 -1.06 -1.70 117.00 121.39 1jeb n LEU 78 Ca 0.21 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.24 1jeb n LEU 78 Cb 0.70 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.71 1jeb n LEU 78 CO 0.26 0.00 -0.27 0.47 -1.33 0.00 0.00 177.39 176.53 1jeb n ASP 79 N -0.82 1.24 -2.57 -1.43 8.00 -1.26 -4.64 116.55 115.06 1jeb n ASP 79 Ca 0.05 -0.47 -0.10 0.00 0.71 0.00 0.00 54.79 54.98 1jeb n ASP 79 Cb 0.02 1.21 0.03 0.00 -0.02 0.00 0.00 41.12 42.36 1jeb n ASP 79 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1jeb n SER 80 N -1.51 2.65 0.06 -2.24 3.41 -0.69 -4.85 113.62 110.44 1jeb n SER 80 Ca 0.00 -2.72 0.13 0.00 -0.26 0.00 0.00 58.87 56.02 1jeb n SER 80 Cb 0.23 -0.45 0.60 0.00 -0.26 0.00 0.00 64.21 64.32 1jeb n SER 80 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1jeb h LEU 81 N 2.57 0.14 -0.23 1.04 -0.00 -1.81 -2.34 115.31 114.68 1jeb h LEU 81 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1jeb h LEU 81 Cb 1.29 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.88 1jeb h LEU 81 CO 0.44 0.09 -0.31 0.11 -0.00 0.00 0.00 178.44 178.77 1jeb h LYS 82 N 0.16 -0.20 0.04 1.13 1.79 -1.91 -2.00 116.57 115.58 1jeb h LYS 82 Ca 0.17 0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 58.43 1jeb h LYS 82 Cb 0.48 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1jeb h LYS 82 CO -0.03 -0.14 -1.03 0.78 -1.08 0.00 0.00 179.45 177.96 1jeb h GLY 83 N -0.21 0.16 0.18 3.86 0.00 -1.94 -2.42 103.07 102.70 1jeb h GLY 83 Ca 0.04 -0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.14 1jeb h GLY 83 CO -0.33 0.31 0.18 -0.84 0.00 0.00 0.00 176.54 175.86 1jeb h THR 84 N 0.05 0.65 -0.02 4.70 2.02 -1.24 -2.47 112.91 116.61 1jeb h THR 84 Ca -0.06 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1jeb h THR 84 Cb 1.74 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1jeb h THR 84 CO 0.15 0.06 -0.43 0.49 0.37 0.00 0.00 175.52 176.16 1jeb n PHE 85 N -5.08 0.00 -0.26 3.16 3.72 -0.77 -4.55 117.46 113.67 1jeb n PHE 85 Ca 0.10 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.54 1jeb n PHE 85 Cb 0.35 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.02 1jeb n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1jeb h ALA 86 N 3.83 0.66 -0.29 4.37 0.00 -0.93 0.29 119.26 127.19 1jeb h ALA 86 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jeb h ALA 86 Cb 0.75 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1jeb h ALA 86 CO 0.00 -0.43 0.11 1.03 0.00 0.00 0.00 179.25 179.97 1jeb h SER 87 N 0.05 0.14 -0.51 0.00 0.87 -1.80 -2.63 113.55 109.67 1jeb h SER 87 Ca 0.40 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.94 1jeb h SER 87 Cb 0.66 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1jeb h SER 87 CO -0.73 0.12 0.17 -0.07 -0.53 0.00 0.00 176.83 175.78 1jeb h LEU 88 N 0.25 0.73 -0.37 2.23 3.38 -1.30 -3.00 115.31 117.23 1jeb h LEU 88 Ca 0.13 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1jeb h LEU 88 Cb 0.08 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1jeb h LEU 88 CO -0.12 0.74 -0.45 -1.28 0.09 0.00 0.00 178.44 177.42 1jeb h SER 89 N 0.68 -1.49 0.30 -0.43 0.87 -0.16 0.29 113.55 113.61 1jeb h SER 89 Ca 0.16 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 1jeb h SER 89 Cb 0.26 0.64 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 1jeb h SER 89 CO -0.01 -0.38 -0.08 -0.08 -0.53 0.00 0.00 176.83 175.75 1jeb h GLU 90 N -0.36 0.00 -0.12 2.24 4.81 -1.53 0.32 114.58 119.94 1jeb h GLU 90 Ca 0.12 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.19 1jeb h GLU 90 Cb 0.60 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1jeb h GLU 90 CO -0.56 0.08 -0.55 1.25 -0.73 0.00 0.00 179.01 178.51 1jeb h LEU 91 N 0.00 0.68 -0.22 1.64 5.85 -0.53 -0.21 115.31 122.52 1jeb h LEU 91 Ca -0.00 -0.64 -0.09 0.00 0.84 0.00 0.00 57.88 57.99 1jeb h LEU 91 Cb 0.26 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1jeb h LEU 91 CO 0.01 1.21 -0.42 0.45 -0.34 0.00 0.00 178.44 179.35 1jeb h HIS 92 N 0.20 0.00 0.00 1.25 3.86 0.09 -0.02 115.15 120.53 1jeb h HIS 92 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jeb h HIS 92 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 1jeb h HIS 92 CO 0.11 0.42 0.00 0.00 0.86 0.00 0.00 177.93 179.32 1jeb h ASP 94 N 0.00 0.00 0.00 0.00 3.45 -1.24 -2.80 116.42 115.83 1jeb h ASP 94 Ca 0.00 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.20 1jeb h ASP 94 Cb 0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.72 1jeb h ASP 94 CO 0.00 0.34 -1.97 1.17 -1.57 0.00 0.00 179.24 177.21 1jeb n LYS 95 N -3.56 0.68 0.03 3.56 4.81 -1.15 -4.67 118.16 117.86 1jeb n LYS 95 Ca -0.00 0.08 0.11 0.00 -0.87 0.00 0.00 58.31 57.63 1jeb n LYS 95 Cb 0.47 -1.34 -0.10 0.00 0.02 0.00 0.00 35.03 34.08 1jeb n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1jeb n LEU 96 N -2.91 0.36 -3.60 3.14 4.77 -0.03 -5.01 117.00 113.72 1jeb n LEU 96 Ca -0.29 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.59 1jeb n LEU 96 Cb 0.85 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.96 1jeb n LEU 96 CO 0.19 -0.06 -0.03 1.41 -1.33 0.00 0.00 177.39 177.57 1jeb n HIS 97 N -2.38 -2.03 -3.59 -1.77 8.25 -0.92 -4.97 115.22 107.81 1jeb n HIS 97 Ca -0.02 0.81 -0.37 0.00 -0.26 0.00 0.00 57.72 57.87 1jeb n HIS 97 Cb 0.55 -4.33 -0.09 0.00 1.12 0.00 0.00 29.99 27.24 1jeb n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jeb s VAL 98 N -3.56 5.31 0.15 1.59 1.01 -0.05 -5.03 120.40 119.82 1jeb s VAL 98 Ca 0.13 0.28 -0.32 0.00 0.00 0.00 0.00 61.98 62.07 1jeb s VAL 98 Cb -0.03 -3.55 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 1jeb s VAL 98 CO 0.80 0.30 1.79 -0.67 0.00 0.00 0.00 175.10 177.32 1jeb n ASP 99 N 4.53 3.99 0.24 3.32 2.03 -1.26 -4.72 116.55 124.68 1jeb n ASP 99 Ca -0.13 1.01 0.16 0.00 0.52 0.00 0.00 54.79 56.35 1jeb n ASP 99 Cb 0.52 -1.55 0.70 0.00 -0.72 0.00 0.00 41.12 40.07 1jeb n ASP 99 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jeb h PRO 100 N 7.90 0.00 -0.20 -0.67 0.13 -1.96 -0.52 132.00 136.68 1jeb h PRO 100 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1jeb h PRO 100 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1jeb h PRO 100 CO 0.95 0.00 0.04 1.49 -0.23 0.00 0.00 178.00 180.24 1jeb h GLU 101 N 0.00 0.28 -0.26 0.86 4.57 -2.00 -2.54 114.58 115.49 1jeb h GLU 101 Ca 0.08 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1jeb h GLU 101 Cb 1.03 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.55 1jeb h GLU 101 CO -0.00 0.28 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.11 1jeb h ASN 102 N 0.28 0.39 -0.75 1.04 2.35 -1.45 -2.50 115.58 114.94 1jeb h ASN 102 Ca 0.07 -0.08 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1jeb h ASN 102 Cb 0.13 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.34 1jeb h ASN 102 CO -0.00 0.52 0.44 -0.26 -1.65 0.00 0.00 177.43 176.48 1jeb h PHE 103 N 0.39 0.81 -0.42 1.19 0.04 -1.62 0.06 116.94 117.39 1jeb h PHE 103 Ca 0.08 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 1jeb h PHE 103 Cb 0.39 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1jeb h PHE 103 CO 0.01 0.40 0.22 -0.09 -0.60 0.00 0.00 178.31 178.25 1jeb h ARG 104 N 0.80 0.57 0.01 1.51 2.43 -1.53 -1.87 114.38 116.30 1jeb h ARG 104 Ca 0.33 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1jeb h ARG 104 Cb 0.18 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1jeb h ARG 104 CO -0.18 0.43 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.63 1jeb h LEU 105 N 0.58 -0.01 -1.44 3.80 3.38 -0.88 -2.32 115.31 118.42 1jeb h LEU 105 Ca 0.15 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1jeb h LEU 105 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1jeb h LEU 105 CO -0.02 0.33 0.41 0.25 0.09 0.00 0.00 178.44 179.50 1jeb h LEU 106 N -0.36 0.63 -1.20 1.67 5.85 -1.10 0.72 115.31 121.52 1jeb h LEU 106 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1jeb h LEU 106 Cb 0.35 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1jeb h LEU 106 CO 0.00 0.43 0.17 1.23 -0.34 0.00 0.00 178.44 179.94 1jeb h GLY 107 N 0.73 0.78 1.40 3.75 0.00 -1.17 0.29 103.07 108.85 1jeb h GLY 107 Ca 0.25 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 1jeb h GLY 107 CO -0.07 0.38 -0.51 3.43 0.00 0.00 0.00 176.54 179.77 1jeb h ASN 108 N 0.72 0.70 -0.62 0.19 -0.26 -0.37 -2.07 115.58 113.87 1jeb h ASN 108 Ca 0.17 -0.36 -0.02 0.00 -0.56 0.00 0.00 56.30 55.53 1jeb h ASN 108 Cb 0.19 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 1jeb h ASN 108 CO -0.01 1.08 0.31 0.24 -1.06 0.00 0.00 177.43 178.00 1jeb h MET 109 N 0.50 0.88 -0.43 0.81 2.86 -0.08 -0.74 114.93 118.73 1jeb h MET 109 Ca 0.02 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1jeb h MET 109 Cb 1.06 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1jeb h MET 109 CO 0.10 0.70 0.25 0.82 1.06 0.00 0.00 176.91 179.84 1jeb h ILE 110 N 0.85 1.14 -0.50 -1.22 2.04 -0.84 -0.49 117.51 118.48 1jeb h ILE 110 Ca 0.21 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1jeb h ILE 110 Cb 0.09 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 1jeb h ILE 110 CO -0.03 0.14 0.33 0.58 0.00 0.00 0.00 178.15 179.17 1jeb h VAL 111 N 0.56 1.12 -0.42 1.67 2.07 -1.00 -1.33 116.25 118.93 1jeb h VAL 111 Ca 0.15 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1jeb h VAL 111 Cb 0.01 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1jeb h VAL 111 CO -0.03 0.12 0.18 0.40 0.02 0.00 0.00 177.57 178.27 1jeb h ILE 112 N 0.67 1.19 -0.35 4.57 2.04 -0.85 -2.25 117.51 122.54 1jeb h ILE 112 Ca 0.18 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1jeb h ILE 112 Cb -0.07 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1jeb h ILE 112 CO -0.04 0.21 0.23 0.58 0.00 0.00 0.00 178.15 179.13 1jeb h VAL 113 N 0.53 1.10 -0.99 1.67 2.07 -0.81 0.16 116.25 119.99 1jeb h VAL 113 Ca 0.14 -0.18 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1jeb h VAL 113 Cb 0.16 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1jeb h VAL 113 CO -0.01 0.09 0.62 -0.07 0.02 0.00 0.00 177.57 178.22 1jeb h LEU 114 N 0.47 0.90 -0.98 2.57 3.38 -1.07 0.53 115.31 121.11 1jeb h LEU 114 Ca 0.13 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1jeb h LEU 114 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1jeb h LEU 114 CO -0.03 0.48 -0.45 1.23 0.09 0.00 0.00 178.44 179.76 1jeb h GLY 115 N 0.96 0.00 1.76 0.83 0.00 -0.77 0.09 103.07 105.94 1jeb h GLY 115 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.68 1jeb h GLY 115 CO -0.25 0.00 -0.55 0.84 0.00 0.00 0.00 176.54 176.57 1jeb h HIS 116 N 0.00 0.32 0.02 5.60 6.17 0.19 -2.28 115.15 125.17 1jeb h HIS 116 Ca -0.00 -0.11 -0.26 0.00 0.71 0.00 0.00 60.37 60.70 1jeb h HIS 116 Cb 0.90 -0.06 -0.03 0.00 2.52 0.00 0.00 27.41 30.74 1jeb h HIS 116 CO 0.00 0.75 -1.44 0.72 0.71 0.00 0.00 177.93 178.67 1jeb n HIS 117 N -3.91 1.02 0.87 5.26 8.25 0.29 -4.41 115.22 122.59 1jeb n HIS 117 Ca -0.02 0.39 0.13 0.00 -0.26 0.00 0.00 57.72 57.96 1jeb n HIS 117 Cb 0.58 -1.11 0.55 0.00 1.12 0.00 0.00 29.99 31.14 1jeb n HIS 117 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jeb n LEU 118 N -4.26 0.17 0.00 2.41 4.77 -0.00 -4.98 117.00 115.11 1jeb n LEU 118 Ca -0.33 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1jeb n LEU 118 Cb 0.75 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1jeb n LEU 118 CO 0.22 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1jeb n GLY 119 N 1.30 2.24 0.42 -0.72 0.00 -0.86 -1.05 105.19 106.51 1jeb n GLY 119 Ca 0.06 -0.19 0.19 0.00 0.00 0.00 0.00 46.02 46.08 1jeb n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jeb h LYS 120 N 0.00 0.00 0.00 1.61 1.79 -1.94 0.35 116.57 118.39 1jeb h LYS 120 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1jeb h LYS 120 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1jeb h LYS 120 CO 0.00 0.00 -0.46 -0.44 -1.08 0.00 0.00 179.45 177.47 1jeb h ASP 121 N 0.00 0.00 -0.69 0.86 3.32 -1.49 -3.32 116.42 115.10 1jeb h ASP 121 Ca 0.23 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.56 1jeb h ASP 121 Cb 1.70 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 41.16 1jeb h ASP 121 CO -0.00 0.46 2.53 0.33 -1.72 0.00 0.00 179.24 180.83 1jeb n PHE 122 N -3.63 3.81 -1.56 4.55 7.35 0.12 -4.90 117.46 123.21 1jeb n PHE 122 Ca -0.01 -2.94 -0.29 0.00 -0.76 0.00 0.00 57.45 53.45 1jeb n PHE 122 Cb 0.54 -2.42 0.15 0.00 0.35 0.00 0.00 39.48 38.11 1jeb n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jeb s THR 123 N 2.70 1.96 0.10 -2.13 -4.23 -1.25 -4.74 115.64 108.04 1jeb s THR 123 Ca 0.47 0.00 -0.33 0.00 -1.18 0.00 0.00 61.69 60.65 1jeb s THR 123 Cb 0.09 -2.77 -0.13 0.00 1.34 0.00 0.00 72.50 71.04 1jeb s THR 123 CO -0.02 0.00 1.58 -0.65 -0.54 0.00 0.00 174.62 174.98 1jeb h PRO 124 N -1.60 -0.74 -0.99 3.99 0.11 -1.93 0.14 132.00 130.97 1jeb h PRO 124 Ca -0.49 0.05 0.18 0.00 0.11 0.00 0.00 66.00 65.85 1jeb h PRO 124 Cb 1.32 0.17 -0.10 0.00 0.11 0.00 0.00 31.00 32.49 1jeb h PRO 124 CO 0.56 -0.50 0.60 0.00 -0.21 0.00 0.00 178.00 178.46 1jeb h ALA 125 N -0.43 1.61 -0.51 -0.75 0.00 -1.99 0.24 119.26 117.44 1jeb h ALA 125 Ca -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jeb h ALA 125 Cb 0.75 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1jeb h ALA 125 CO -0.20 -0.01 0.03 0.00 0.00 0.00 0.00 179.25 179.07 1jeb h ALA 126 N 1.62 0.68 -0.42 0.00 0.00 -1.70 -2.66 119.26 116.78 1jeb h ALA 126 Ca 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jeb h ALA 126 Cb 0.82 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1jeb h ALA 126 CO -0.37 0.46 0.19 0.37 0.00 0.00 0.00 179.25 179.91 1jeb h GLN 127 N 0.74 0.62 -0.64 0.00 4.15 0.12 -2.07 115.11 118.02 1jeb h GLN 127 Ca 0.15 -0.10 0.10 0.00 0.77 0.00 0.00 58.65 59.57 1jeb h GLN 127 Cb 0.48 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.98 1jeb h GLN 127 CO 0.02 0.55 0.25 0.00 -1.93 0.00 0.00 178.83 177.72 1jeb h ALA 128 N 1.04 0.84 0.45 3.38 0.00 -0.99 0.64 119.26 124.62 1jeb h ALA 128 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1jeb h ALA 128 Cb 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jeb h ALA 128 CO -0.02 -0.18 -0.30 0.00 0.00 0.00 0.00 179.25 178.76 1jeb h ALA 129 N 1.44 -0.73 -0.15 0.00 0.00 -1.11 -1.03 119.26 117.67 1jeb h ALA 129 Ca 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jeb h ALA 129 Cb 0.41 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1jeb h ALA 129 CO -0.31 -0.93 0.03 0.74 0.00 0.00 0.00 179.25 178.77 1jeb h PHE 130 N -0.73 0.20 -0.31 0.00 0.04 -0.67 -1.77 116.94 113.70 1jeb h PHE 130 Ca -0.05 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.68 1jeb h PHE 130 Cb 0.61 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1jeb h PHE 130 CO -0.11 0.19 0.03 0.37 -0.60 0.00 0.00 178.31 178.19 1jeb h GLN 131 N 0.21 0.53 -0.97 1.51 5.75 0.71 0.36 115.11 123.21 1jeb h GLN 131 Ca 0.05 -0.15 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1jeb h GLN 131 Cb 0.10 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 1jeb h GLN 131 CO -0.00 0.64 0.63 -0.22 -2.65 0.00 0.00 178.83 177.23 1jeb h LYS 132 N 0.34 1.20 0.26 1.69 3.64 -0.61 0.91 116.57 124.00 1jeb h LYS 132 Ca 0.09 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1jeb h LYS 132 Cb 0.39 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1jeb h LYS 132 CO 0.01 0.79 -0.12 0.28 -2.27 0.00 0.00 179.45 178.14 1jeb h VAL 133 N 1.23 0.79 -0.50 2.00 2.07 -0.83 -0.18 116.25 120.84 1jeb h VAL 133 Ca 0.38 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1jeb h VAL 133 Cb -0.01 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1jeb h VAL 133 CO -0.12 0.08 0.24 0.58 0.02 0.00 0.00 177.57 178.38 1jeb h VAL 134 N -0.55 0.94 -0.82 2.57 2.07 0.29 0.64 116.25 121.40 1jeb h VAL 134 Ca -0.04 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1jeb h VAL 134 Cb 0.40 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1jeb h VAL 134 CO 0.06 0.09 0.53 0.00 0.02 0.00 0.00 177.57 178.27 1jeb h ALA 135 N 1.28 1.06 -0.33 1.67 0.00 0.92 -1.30 119.26 122.55 1jeb h ALA 135 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1jeb h ALA 135 Cb 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jeb h ALA 135 CO -0.16 0.39 0.12 0.78 0.00 0.00 0.00 179.25 180.37 1jeb h GLY 136 N 1.05 0.54 1.00 0.00 0.00 0.07 -1.17 103.07 104.56 1jeb h GLY 136 Ca 0.32 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1jeb h GLY 136 CO -0.09 0.29 0.35 -2.08 0.00 0.00 0.00 176.54 175.01 1jeb h VAL 137 N 0.39 1.17 -0.48 4.60 2.07 -0.50 -0.93 116.25 122.56 1jeb h VAL 137 Ca 0.11 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1jeb h VAL 137 Cb 0.21 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1jeb h VAL 137 CO -0.01 0.18 0.01 0.00 0.02 0.00 0.00 177.57 177.77 1jeb h ALA 138 N 1.18 0.65 -0.21 1.67 0.00 -1.17 -1.82 119.26 119.55 1jeb h ALA 138 Ca 0.21 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jeb h ALA 138 Cb -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1jeb h ALA 138 CO -0.04 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 179.61 1jeb h ALA 139 N 0.93 0.14 -0.49 0.00 0.00 -0.86 -1.40 119.26 117.59 1jeb h ALA 139 Ca 0.14 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1jeb h ALA 139 Cb 0.50 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1jeb h ALA 139 CO 0.02 -0.47 0.29 0.00 0.00 0.00 0.00 179.25 179.09 1jeb h ALA 140 N 1.21 0.63 -0.89 0.00 0.00 -1.01 0.19 119.26 119.38 1jeb h ALA 140 Ca 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jeb h ALA 140 Cb 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1jeb h ALA 140 CO -0.21 -0.01 0.59 -0.07 0.00 0.00 0.00 179.25 179.54 1jeb h LEU 141 N 0.58 1.02 0.03 0.00 3.38 -0.84 -3.12 115.31 116.35 1jeb h LEU 141 Ca 0.20 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1jeb h LEU 141 Cb 0.02 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1jeb h LEU 141 CO -0.09 0.73 -0.15 0.00 0.09 0.00 0.00 178.44 179.02 1jeb h ALA 142 N 1.45 -0.02 0.00 1.53 0.00 -0.97 -3.39 119.26 117.86 1jeb h ALA 142 Ca 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jeb h ALA 142 Cb -0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jeb h ALA 142 CO -0.07 0.07 0.00 1.58 0.00 0.00 0.00 179.25 180.82