#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfj h ALA 2 N 0.00 2.77 -0.36 -5.12 0.00 -2.07 1.07 119.26 115.55 1jfj h ALA 2 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jfj h ALA 2 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1jfj h ALA 2 CO 0.00 -1.09 0.25 1.49 0.00 0.00 0.00 179.25 179.90 1jfj h GLU 3 N 0.12 0.24 -0.22 0.00 4.22 -2.00 0.14 114.58 117.07 1jfj h GLU 3 Ca 0.52 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.87 1jfj h GLU 3 Cb 1.83 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1jfj h GLU 3 CO -0.08 0.16 -0.19 0.00 -2.18 0.00 0.00 179.01 176.72 1jfj h ALA 4 N 1.81 1.27 0.84 2.92 0.00 0.75 -3.00 119.26 123.85 1jfj h ALA 4 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1jfj h ALA 4 Cb 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jfj h ALA 4 CO -0.03 0.48 -0.40 -0.07 0.00 0.00 0.00 179.25 179.23 1jfj h LEU 5 N 0.35 -0.96 -1.57 0.00 -0.00 -0.71 -0.75 115.31 111.67 1jfj h LEU 5 Ca 0.06 0.03 0.48 0.00 -0.00 0.00 0.00 57.88 58.45 1jfj h LEU 5 Cb 0.54 0.25 -0.12 0.00 -0.00 0.00 0.00 40.66 41.33 1jfj h LEU 5 CO 0.04 -0.60 1.00 0.15 -0.00 0.00 0.00 178.44 179.03 1jfj h PHE 6 N -1.30 0.37 0.22 1.13 3.04 -1.40 0.47 116.94 119.47 1jfj h PHE 6 Ca -0.12 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1jfj h PHE 6 Cb 0.87 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.29 1jfj h PHE 6 CO 0.00 -0.17 -0.11 -0.22 -2.02 0.00 0.00 178.31 175.80 1jfj h LYS 7 N 0.04 -0.29 -0.18 1.11 1.63 -1.34 -3.04 116.57 114.51 1jfj h LYS 7 Ca 0.85 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.72 1jfj h LYS 7 Cb 2.92 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 34.55 1jfj h LYS 7 CO -0.31 -0.00 -0.45 1.49 -3.45 0.00 0.00 179.45 176.73 1jfj h GLU 8 N -1.00 -0.46 -1.32 1.90 4.81 0.13 0.51 114.58 119.14 1jfj h GLU 8 Ca -0.03 0.03 0.38 0.00 -0.13 0.00 0.00 59.36 59.61 1jfj h GLU 8 Cb 0.41 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.84 1jfj h GLU 8 CO 0.05 -0.31 0.94 0.82 -0.73 0.00 0.00 179.01 179.78 1jfj h ILE 9 N -0.48 0.34 0.00 2.32 2.04 -0.60 -3.08 117.51 118.04 1jfj h ILE 9 Ca 0.08 -0.01 -0.61 0.00 1.00 0.00 0.00 64.86 65.32 1jfj h ILE 9 Cb 0.63 0.31 0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1jfj h ILE 9 CO -0.44 0.00 2.22 -0.67 0.00 0.00 0.00 178.15 179.27 1jfj n ASP 10 N -4.18 2.55 0.02 1.72 -0.08 0.18 -4.60 116.55 112.16 1jfj n ASP 10 Ca 0.29 -2.62 0.21 0.00 -1.51 0.00 0.00 54.79 51.17 1jfj n ASP 10 Cb 1.36 -1.04 0.73 0.00 2.34 0.00 0.00 41.12 44.51 1jfj n ASP 10 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1jfj h VAL 11 N 4.42 0.54 -0.91 5.18 2.07 -1.75 -0.03 116.25 125.77 1jfj h VAL 11 Ca 0.41 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.18 1jfj h VAL 11 Cb 0.61 0.67 -0.15 0.00 -1.52 0.00 0.00 31.29 30.91 1jfj h VAL 11 CO 1.91 0.00 0.25 0.78 0.02 0.00 0.00 177.57 180.53 1jfj h ASN 12 N 0.00 -0.00 -0.09 0.57 -0.26 -1.89 -3.45 115.58 110.46 1jfj h ASN 12 Ca 0.25 0.21 0.00 0.00 -0.56 0.00 0.00 56.30 56.20 1jfj h ASN 12 Cb 1.12 0.28 0.00 0.00 -1.06 0.00 0.00 38.32 38.66 1jfj h ASN 12 CO -0.00 -0.19 0.00 0.61 -1.06 0.00 0.00 177.43 176.79 1jfj n GLY 13 N -1.38 1.17 0.03 2.83 0.00 -0.03 -4.98 105.19 102.84 1jfj n GLY 13 Ca 0.23 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1jfj n GLY 13 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 14 N 0.92 3.57 -1.45 1.61 5.68 -1.26 -5.07 116.55 120.55 1jfj n ASP 14 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1jfj n ASP 14 Cb 0.24 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 15 N 3.13 0.69 3.24 6.12 0.00 -1.26 -5.09 105.19 112.02 1jfj n GLY 15 Ca -0.10 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1jfj n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfj s ALA 16 N -2.96 0.73 0.37 4.61 0.00 -1.26 -4.04 121.76 119.21 1jfj s ALA 16 Ca 0.00 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 50.63 1jfj s ALA 16 Cb 0.00 1.09 -0.07 0.00 0.00 0.00 0.00 23.12 24.14 1jfj s ALA 16 CO 0.00 -0.59 -0.04 0.08 0.00 0.00 0.00 175.76 175.21 1jfj s VAL 17 N -4.08 2.08 0.35 0.00 1.01 0.93 -4.90 120.40 115.79 1jfj s VAL 17 Ca 0.29 -2.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.04 1jfj s VAL 17 Cb 0.06 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1jfj s VAL 17 CO 0.06 -0.11 0.67 -0.94 0.00 0.00 0.00 175.10 174.79 1jfj s SER 18 N -3.65 0.18 0.21 3.32 1.04 -1.26 -0.59 113.70 112.95 1jfj s SER 18 Ca 0.34 -1.14 -0.10 0.00 0.48 0.00 0.00 55.95 55.53 1jfj s SER 18 Cb 0.06 0.77 0.20 0.00 0.10 0.00 0.00 66.02 67.15 1jfj s SER 18 CO 0.17 -1.50 1.83 1.88 0.98 0.00 0.00 173.24 176.61 1jfj h TYR 19 N 2.05 0.77 0.00 5.02 0.05 -1.94 0.93 116.97 123.85 1jfj h TYR 19 Ca -0.29 0.02 -0.19 0.00 0.05 0.00 0.00 58.73 58.33 1jfj h TYR 19 Cb 1.25 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 1jfj h TYR 19 CO 1.18 0.42 -0.85 1.05 -1.05 0.00 0.00 178.16 178.91 1jfj h GLU 20 N 0.79 0.11 -0.20 4.88 -0.00 -1.96 -0.54 114.58 117.65 1jfj h GLU 20 Ca 0.28 -0.12 -0.12 0.00 -0.00 0.00 0.00 59.36 59.40 1jfj h GLU 20 Cb 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 28.75 28.85 1jfj h GLU 20 CO -0.13 0.89 -0.35 0.93 -0.00 0.00 0.00 179.01 180.35 1jfj h GLU 21 N 0.06 0.60 -0.09 1.06 5.08 -1.72 0.40 114.58 119.95 1jfj h GLU 21 Ca -0.03 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 1jfj h GLU 21 Cb 1.47 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.76 1jfj h GLU 21 CO 0.12 0.98 -0.12 -0.24 -1.00 0.00 0.00 179.01 178.75 1jfj h VAL 22 N 0.28 1.37 -0.06 3.13 3.04 0.85 -0.78 116.25 124.08 1jfj h VAL 22 Ca 0.01 -1.32 -0.06 0.00 -1.01 0.00 0.00 66.70 64.33 1jfj h VAL 22 Cb 0.94 2.03 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 1jfj h VAL 22 CO 0.08 0.37 -0.23 0.07 -1.01 0.00 0.00 177.57 176.85 1jfj h LYS 23 N -0.18 0.09 0.32 4.17 5.09 -1.13 -1.51 116.57 123.42 1jfj h LYS 23 Ca 0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 60.71 1jfj h LYS 23 Cb 0.66 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.98 1jfj h LYS 23 CO 0.03 0.32 -0.15 0.00 -2.09 0.00 0.00 179.45 177.56 1jfj h ALA 24 N 1.68 -0.43 0.10 0.07 0.00 -0.04 0.21 119.26 120.85 1jfj h ALA 24 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jfj h ALA 24 Cb 0.46 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1jfj h ALA 24 CO 0.03 -0.57 -0.38 0.35 0.00 0.00 0.00 179.25 178.68 1jfj h PHE 25 N -0.79 -1.06 0.16 0.00 3.04 -0.93 0.49 116.94 117.85 1jfj h PHE 25 Ca -0.04 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.94 1jfj h PHE 25 Cb 0.51 0.45 -0.03 0.00 2.56 0.00 0.00 35.95 39.45 1jfj h PHE 25 CO 0.02 -0.48 -0.24 -0.39 -2.02 0.00 0.00 178.31 175.20 1jfj h VAL 26 N -0.60 0.48 -0.71 1.41 -1.51 -1.34 -0.03 116.25 113.95 1jfj h VAL 26 Ca 0.03 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.71 1jfj h VAL 26 Cb 0.64 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 30.25 1jfj h VAL 26 CO -0.24 0.00 0.51 0.77 -1.23 0.00 0.00 177.57 177.39 1jfj h SER 27 N -0.47 0.00 -0.72 4.19 4.64 -0.20 1.24 113.55 122.23 1jfj h SER 27 Ca 0.02 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1jfj h SER 27 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1jfj h SER 27 CO -0.10 0.00 0.45 0.50 -0.87 0.00 0.00 176.83 176.81 1jfj h LYS 28 N 0.00 0.85 -0.17 4.77 3.64 0.20 -2.37 116.57 123.49 1jfj h LYS 28 Ca 0.34 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1jfj h LYS 28 Cb 1.36 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1jfj h LYS 28 CO -0.00 0.56 -0.17 1.63 -2.27 0.00 0.00 179.45 179.20 1jfj n LYS 29 N -4.66 1.83 -2.31 1.90 4.76 0.10 -5.01 118.16 114.78 1jfj n LYS 29 Ca 0.08 -3.05 -0.03 0.00 -2.87 0.00 0.00 58.31 52.45 1jfj n LYS 29 Cb 0.09 -1.70 -0.01 0.00 -1.84 0.00 0.00 35.03 31.57 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jfj n ARG 30 N -1.09 0.06 -3.19 1.97 5.12 0.39 -5.03 116.66 114.89 1jfj n ARG 30 Ca 0.24 -0.47 -0.44 0.00 -1.93 0.00 0.00 57.85 55.25 1jfj n ARG 30 Cb 0.84 0.39 -0.07 0.00 -1.16 0.00 0.00 32.46 32.46 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj s ALA 31 N -2.18 3.40 -0.81 7.54 0.00 -1.26 -4.71 121.76 123.75 1jfj s ALA 31 Ca 0.06 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.14 1jfj s ALA 31 Cb 0.00 -3.29 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 1jfj s ALA 31 CO 0.04 -1.92 1.96 -0.89 0.00 0.00 0.00 175.76 174.95 1jfj n ILE 32 N 5.58 0.00 0.00 0.00 5.41 -1.26 -2.17 119.36 126.92 1jfj n ILE 32 Ca -0.07 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1jfj n ILE 32 Cb 0.46 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.18 1jfj n ILE 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1jfj n LYS 33 N 5.66 0.00 -0.38 0.38 4.81 -1.26 -4.96 118.16 122.41 1jfj n LYS 33 Ca 0.54 0.00 0.38 0.00 -0.87 0.00 0.00 58.31 58.36 1jfj n LYS 33 Cb 0.07 0.00 0.72 0.00 0.02 0.00 0.00 35.03 35.84 1jfj n LYS 33 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1jfj h ASN 34 N 0.00 0.00 -1.78 3.14 -0.73 -1.81 0.20 115.58 114.60 1jfj h ASN 34 Ca 0.00 0.00 0.52 0.00 1.87 0.00 0.00 56.30 58.69 1jfj h ASN 34 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 38.51 1jfj h ASN 34 CO 0.00 0.00 1.27 -1.84 -0.37 0.00 0.00 177.43 176.49 1jfj n GLU 35 N -3.90 -0.00 0.33 6.67 -0.00 -1.26 0.71 120.64 123.19 1jfj n GLU 35 Ca 0.29 1.02 -0.13 0.00 -0.00 0.00 0.00 57.16 58.33 1jfj n GLU 35 Cb 1.47 -2.31 -0.06 0.00 -0.00 0.00 0.00 31.44 30.54 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1jfj h GLN 36 N 0.00 -0.84 0.32 3.44 4.15 -1.03 -1.02 115.11 120.14 1jfj h GLN 36 Ca 0.87 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 60.33 1jfj h GLN 36 Cb 3.42 0.19 0.00 0.00 0.21 0.00 0.00 27.48 31.30 1jfj h GLN 36 CO -0.05 -0.56 -0.16 -0.07 -1.93 0.00 0.00 178.83 176.07 1jfj h LEU 37 N -1.14 -0.37 -0.73 -2.39 -0.00 0.08 -1.61 115.31 109.15 1jfj h LEU 37 Ca -0.09 -0.14 0.07 0.00 -0.00 0.00 0.00 57.88 57.72 1jfj h LEU 37 Cb 0.66 0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 41.32 1jfj h LEU 37 CO 0.15 -0.05 -0.54 0.25 -0.00 0.00 0.00 178.44 178.24 1jfj h LEU 38 N -0.70 -1.92 -0.52 1.67 7.12 -0.10 0.33 115.31 121.19 1jfj h LEU 38 Ca -0.04 0.28 0.10 0.00 0.13 0.00 0.00 57.88 58.35 1jfj h LEU 38 Cb 0.48 0.83 -0.09 0.00 -0.53 0.00 0.00 40.66 41.35 1jfj h LEU 38 CO 0.07 -0.28 -0.02 1.56 -0.13 0.00 0.00 178.44 179.64 1jfj h GLN 39 N -0.14 0.09 -0.39 1.25 4.20 -1.17 0.35 115.11 119.29 1jfj h GLN 39 Ca 0.12 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.87 1jfj h GLN 39 Cb 0.45 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 1jfj h GLN 39 CO -0.76 0.06 -0.55 -0.07 -0.67 0.00 0.00 178.83 176.84 1jfj h LEU 40 N 0.09 -1.84 0.39 1.46 -0.00 0.60 0.31 115.31 116.31 1jfj h LEU 40 Ca 0.26 0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 58.37 1jfj h LEU 40 Cb 0.40 0.75 -0.01 0.00 -0.00 0.00 0.00 40.66 41.80 1jfj h LEU 40 CO -0.46 -0.40 -0.29 0.40 -0.00 0.00 0.00 178.44 177.69 1jfj h ILE 41 N -0.40 0.39 -0.91 1.22 2.04 -0.15 -1.45 117.51 118.26 1jfj h ILE 41 Ca 0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1jfj h ILE 41 Cb 0.59 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 36.95 1jfj h ILE 41 CO -0.58 0.00 -0.53 0.33 0.00 0.00 0.00 178.15 177.36 1jfj n PHE 42 N -5.42 -0.40 -0.20 1.37 -0.00 0.12 0.79 117.46 113.72 1jfj n PHE 42 Ca -0.10 1.13 0.00 0.00 -0.00 0.00 0.00 57.45 58.49 1jfj n PHE 42 Cb 0.32 -0.57 0.11 0.00 -0.00 0.00 0.00 39.48 39.34 1jfj n PHE 42 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1jfj h LYS 43 N 0.00 0.34 0.27 -4.13 3.64 -0.26 1.65 116.57 118.08 1jfj h LYS 43 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1jfj h LYS 43 Cb 0.37 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1jfj h LYS 43 CO -0.85 0.23 -0.51 1.03 -2.27 0.00 0.00 179.45 177.07 1jfj h SER 44 N 0.35 -1.50 -0.26 4.20 0.87 0.15 -2.56 113.55 114.80 1jfj h SER 44 Ca 0.31 0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 61.01 1jfj h SER 44 Cb 0.42 0.53 -0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1jfj h SER 44 CO -0.34 -0.60 0.15 -0.29 -0.53 0.00 0.00 176.83 175.22 1jfj h ILE 45 N -0.85 1.12 -0.33 2.23 2.10 0.33 -3.40 117.51 118.71 1jfj h ILE 45 Ca -0.03 -0.31 -0.37 0.00 1.08 0.00 0.00 64.86 65.23 1jfj h ILE 45 Cb 0.80 0.84 -0.07 0.00 -1.09 0.00 0.00 36.82 37.30 1jfj h ILE 45 CO -0.20 0.12 1.56 -0.67 -1.08 0.00 0.00 178.15 177.88 1jfj n ASP 46 N -4.85 0.32 0.01 2.19 2.03 0.56 -4.65 116.55 112.16 1jfj n ASP 46 Ca -0.02 -0.43 0.12 0.00 0.52 0.00 0.00 54.79 54.98 1jfj n ASP 46 Cb 0.07 -1.03 0.33 0.00 -0.72 0.00 0.00 41.12 39.77 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj n ALA 47 N 11.16 3.11 -0.05 -1.67 0.00 -1.26 -3.85 120.51 127.94 1jfj n ALA 47 Ca 0.59 -0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 1jfj n ALA 47 Cb 0.22 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 1jfj n ALA 47 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1jfj h ASP 48 N 0.00 0.10 0.00 0.00 1.82 -1.93 -3.48 116.42 112.92 1jfj h ASP 48 Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 57.03 55.72 1jfj h ASP 48 Cb 0.55 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1jfj h ASP 48 CO 0.00 1.16 0.00 0.61 -1.61 0.00 0.00 179.24 179.40 1jfj n GLY 49 N 1.60 0.70 0.10 -0.78 0.00 -1.25 -4.96 105.19 100.61 1jfj n GLY 49 Ca -0.14 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 1jfj n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1jfj h ASN 50 N 0.00 0.33 0.00 1.61 -1.07 -1.93 -3.48 115.58 111.04 1jfj h ASN 50 Ca 0.00 -0.40 0.00 0.00 0.07 0.00 0.00 56.30 55.97 1jfj h ASN 50 Cb 0.00 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.14 1jfj h ASN 50 CO 0.00 1.32 0.00 0.61 0.07 0.00 0.00 177.43 179.43 1jfj n GLY 51 N 1.55 1.07 3.67 9.14 0.00 -1.26 -5.06 105.19 114.30 1jfj n GLY 51 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1jfj n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jfj s GLU 52 N -0.79 2.05 0.06 1.61 8.01 -1.26 -3.17 118.70 125.20 1jfj s GLU 52 Ca 0.00 -2.22 0.00 0.00 0.01 0.00 0.00 54.97 52.76 1jfj s GLU 52 Cb 0.00 -1.57 0.00 0.00 -4.31 0.00 0.00 34.13 28.25 1jfj s GLU 52 CO 0.00 -0.18 0.08 0.44 0.01 0.00 0.00 175.26 175.62 1jfj n ILE 53 N -1.08 0.00 -4.37 -1.63 -5.35 0.24 -4.93 119.36 102.24 1jfj n ILE 53 Ca -0.11 -0.36 -0.19 0.00 -0.27 0.00 0.00 62.75 61.83 1jfj n ILE 53 Cb 0.67 0.21 -0.05 0.00 -1.74 0.00 0.00 39.64 38.73 1jfj n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jfj n ASP 54 N -2.19 1.20 0.11 7.28 5.68 -1.26 -0.05 116.55 127.32 1jfj n ASP 54 Ca 0.00 -2.59 -0.12 0.00 -0.50 0.00 0.00 54.79 51.58 1jfj n ASP 54 Cb 0.11 0.74 -0.06 0.00 -1.14 0.00 0.00 41.12 40.78 1jfj n ASP 54 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1jfj h GLN 55 N 0.00 -0.38 0.74 0.11 4.20 -1.91 0.72 115.11 118.58 1jfj h GLN 55 Ca -0.23 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 1jfj h GLN 55 Cb 0.89 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1jfj h GLN 55 CO 0.37 -0.25 -0.39 -0.91 -0.67 0.00 0.00 178.83 176.98 1jfj h ASN 56 N -0.40 -0.93 -1.00 1.46 4.21 -1.97 0.95 115.58 117.90 1jfj h ASN 56 Ca 0.02 0.04 0.22 0.00 1.21 0.00 0.00 56.30 57.79 1jfj h ASN 56 Cb 0.41 0.25 -0.11 0.00 -1.12 0.00 0.00 38.32 37.76 1jfj h ASN 56 CO -0.11 -0.64 0.62 -0.08 -1.29 0.00 0.00 177.43 175.93 1jfj h GLU 57 N -1.04 0.60 -0.23 0.81 4.81 -1.92 0.84 114.58 118.46 1jfj h GLU 57 Ca -0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1jfj h GLU 57 Cb 0.81 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1jfj h GLU 57 CO 0.15 0.40 0.04 0.35 -0.73 0.00 0.00 179.01 179.21 1jfj h PHE 58 N 0.62 0.40 -0.34 0.92 3.57 0.10 0.15 116.94 122.37 1jfj h PHE 58 Ca 0.59 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 62.10 1jfj h PHE 58 Cb 1.11 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 1jfj h PHE 58 CO -0.00 0.51 -0.04 0.00 -2.23 0.00 0.00 178.31 176.54 1jfj h ALA 59 N 0.85 0.27 -0.63 2.41 0.00 0.15 0.41 119.26 122.72 1jfj h ALA 59 Ca 0.07 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1jfj h ALA 59 Cb 0.32 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1jfj h ALA 59 CO 0.00 -0.43 0.22 0.87 0.00 0.00 0.00 179.25 179.91 1jfj h LYS 60 N 0.05 0.96 -0.99 0.00 1.57 -1.11 0.13 116.57 117.18 1jfj h LYS 60 Ca 0.16 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1jfj h LYS 60 Cb 0.24 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.34 1jfj h LYS 60 CO -0.31 0.84 0.65 0.35 -0.57 0.00 0.00 179.45 180.40 1jfj h PHE 61 N 0.90 1.21 0.04 -1.35 3.57 0.75 -2.90 116.94 119.15 1jfj h PHE 61 Ca 0.21 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1jfj h PHE 61 Cb 0.26 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1jfj h PHE 61 CO 0.02 0.67 -0.02 -0.92 -2.23 0.00 0.00 178.31 175.83 1jfj h TYR 62 N 1.22 -0.04 0.00 0.41 3.20 0.21 -3.50 116.97 118.46 1jfj h TYR 62 Ca 0.41 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1jfj h TYR 62 Cb 0.07 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1jfj h TYR 62 CO -0.00 0.57 0.00 0.41 -1.64 0.00 0.00 178.16 177.50 1jfj n GLY 63 N 0.71 2.29 0.42 1.82 0.00 0.42 -4.84 105.19 106.00 1jfj n GLY 63 Ca -0.09 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1jfj n GLY 63 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jfj h SER 64 N 0.00 -1.24 -1.28 1.61 0.02 -1.83 -3.29 113.55 107.54 1jfj h SER 64 Ca 0.00 0.13 -0.44 0.00 -0.84 0.00 0.00 61.79 60.65 1jfj h SER 64 Cb 0.00 0.46 -0.41 0.00 0.14 0.00 0.00 62.40 62.59 1jfj h SER 64 CO 0.00 -0.50 -1.07 -0.38 -1.14 0.00 0.00 176.83 173.74 1jfj n ILE 65 N -5.47 1.28 -1.87 3.27 5.41 -1.26 -5.10 119.36 115.62 1jfj n ILE 65 Ca -0.08 -3.76 -0.40 0.00 1.00 0.00 0.00 62.75 59.51 1jfj n ILE 65 Cb 0.38 0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 1jfj n ILE 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1jfj s GLN 66 N -3.16 4.01 0.43 0.38 0.74 -1.24 -4.98 119.66 115.83 1jfj s GLN 66 Ca 0.34 2.44 -0.06 0.00 0.05 0.00 0.00 55.36 58.13 1jfj s GLN 66 Cb 0.43 -2.88 0.10 0.00 1.10 0.00 0.00 33.01 31.76 1jfj s GLN 66 CO -0.03 -0.56 0.22 0.41 -0.55 0.00 0.00 175.29 174.78 1jfj n GLY 67 N 0.56 -2.80 2.65 2.59 0.00 -1.26 -4.97 105.19 101.96 1jfj n GLY 67 Ca 0.02 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 1jfj n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfj n GLN 68 N -2.18 -3.87 -3.74 1.61 10.64 -1.26 -5.08 117.38 113.50 1jfj n GLN 68 Ca 0.04 -1.25 -0.09 0.00 -1.83 0.00 0.00 57.00 53.86 1jfj n GLN 68 Cb 0.16 -1.47 -0.02 0.00 -0.86 0.00 0.00 30.24 28.04 1jfj n GLN 68 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1jfj s ASP 69 N -3.20 -0.32 0.21 2.61 1.11 -1.26 -4.97 116.67 110.84 1jfj s ASP 69 Ca 0.55 -0.46 -0.09 0.00 0.18 0.00 0.00 52.55 52.73 1jfj s ASP 69 Cb -0.08 0.67 0.15 0.00 1.07 0.00 0.00 42.92 44.72 1jfj s ASP 69 CO 0.45 -1.20 1.81 0.17 1.18 0.00 0.00 175.17 177.58 1jfj h LEU 70 N 2.05 0.98 -0.44 1.23 8.10 -2.02 -2.13 115.31 123.08 1jfj h LEU 70 Ca -0.25 -0.12 -0.17 0.00 0.11 0.00 0.00 57.88 57.45 1jfj h LEU 70 Cb 1.27 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 41.22 1jfj h LEU 70 CO 0.30 0.82 -0.78 0.77 -4.11 0.00 0.00 178.44 175.44 1jfj h SER 71 N 1.06 0.13 -0.82 0.17 4.64 -2.01 -3.01 113.55 113.71 1jfj h SER 71 Ca 0.26 -0.10 0.24 0.00 -0.47 0.00 0.00 61.79 61.73 1jfj h SER 71 Cb 0.09 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1jfj h SER 71 CO -0.04 0.85 0.61 -0.78 -0.87 0.00 0.00 176.83 176.60 1jfj h ASP 72 N 0.06 0.00 -0.52 4.97 3.58 -1.76 0.52 116.42 123.27 1jfj h ASP 72 Ca -0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1jfj h ASP 72 Cb 1.37 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.39 1jfj h ASP 72 CO 0.11 0.00 0.32 0.44 -2.88 0.00 0.00 179.24 177.23 1jfj h ASP 73 N 0.00 0.62 0.76 2.28 5.19 -1.40 0.24 116.42 124.11 1jfj h ASP 73 Ca 0.39 -0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.60 1jfj h ASP 73 Cb 1.60 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 1jfj h ASP 73 CO -0.00 0.50 -0.70 0.07 -3.12 0.00 0.00 179.24 175.98 1jfj h LYS 74 N 0.70 0.00 -0.24 3.56 2.10 -0.24 -1.85 116.57 120.60 1jfj h LYS 74 Ca 0.19 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.81 1jfj h LYS 74 Cb -0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1jfj h LYS 74 CO -0.04 0.70 0.05 0.82 -2.00 0.00 0.00 179.45 178.99 1jfj h ILE 75 N 0.00 1.22 -0.37 0.07 1.08 -0.05 -0.90 117.51 118.55 1jfj h ILE 75 Ca -0.01 -0.71 -0.12 0.00 -0.39 0.00 0.00 64.86 63.63 1jfj h ILE 75 Cb 1.26 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 1jfj h ILE 75 CO 0.09 0.23 -0.26 1.23 -0.69 0.00 0.00 178.15 178.75 1jfj h GLY 76 N 0.21 0.83 1.00 5.37 0.00 -0.52 0.20 103.07 110.16 1jfj h GLY 76 Ca 0.07 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.67 1jfj h GLY 76 CO 0.00 0.67 0.38 1.41 0.00 0.00 0.00 176.54 179.00 1jfj h LEU 77 N 0.66 0.67 -0.47 3.11 4.07 -1.14 -0.39 115.31 121.81 1jfj h LEU 77 Ca 0.08 -0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.85 1jfj h LEU 77 Cb 0.78 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1jfj h LEU 77 CO 0.06 0.49 -0.73 0.07 -1.08 0.00 0.00 178.44 177.25 1jfj h LYS 78 N 0.79 0.22 -0.12 1.13 2.10 -0.98 -1.30 116.57 118.40 1jfj h LYS 78 Ca 0.21 -0.19 0.03 0.00 -2.00 0.00 0.00 60.65 58.70 1jfj h LYS 78 Cb -0.09 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.26 1jfj h LYS 78 CO -0.05 0.86 -0.06 0.28 -2.00 0.00 0.00 179.45 178.48 1jfj h VAL 79 N 0.14 0.81 0.21 0.07 2.07 0.23 0.16 116.25 119.95 1jfj h VAL 79 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1jfj h VAL 79 Cb 1.30 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1jfj h VAL 79 CO 0.11 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.53 1jfj h LEU 80 N -0.05 -0.24 -1.31 2.57 4.07 -1.08 -1.01 115.31 118.26 1jfj h LEU 80 Ca 0.07 -0.25 0.34 0.00 0.08 0.00 0.00 57.88 58.12 1jfj h LEU 80 Cb 0.15 0.06 -0.12 0.00 1.08 0.00 0.00 40.66 41.83 1jfj h LEU 80 CO -0.15 0.15 0.72 1.88 -1.08 0.00 0.00 178.44 179.96 1jfj h TYR 81 N -0.68 0.66 -0.01 1.13 -1.99 -1.04 0.36 116.97 115.40 1jfj h TYR 81 Ca -0.03 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1jfj h TYR 81 Cb 0.48 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1jfj h TYR 81 CO 0.04 -0.09 -0.08 -0.22 -0.00 0.00 0.00 178.16 177.82 1jfj h LYS 82 N 0.26 0.06 -0.59 4.88 3.11 -0.54 -3.25 116.57 120.51 1jfj h LYS 82 Ca 0.71 -0.06 0.12 0.00 -2.81 0.00 0.00 60.65 58.60 1jfj h LYS 82 Cb 1.94 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 33.07 1jfj h LYS 82 CO -0.40 0.78 -0.18 -0.07 -2.81 0.00 0.00 179.45 176.77 1jfj h LEU 83 N -0.64 -0.66 -0.74 5.20 4.07 0.97 0.48 115.31 123.99 1jfj h LEU 83 Ca -0.01 0.19 0.14 0.00 0.08 0.00 0.00 57.88 58.28 1jfj h LEU 83 Cb 0.81 0.40 -0.14 0.00 1.08 0.00 0.00 40.66 42.81 1jfj h LEU 83 CO 0.02 -0.22 -0.23 -0.03 -1.08 0.00 0.00 178.44 176.89 1jfj h MET 84 N -0.04 -0.03 -5.42 1.13 4.05 -0.88 -3.28 114.93 110.46 1jfj h MET 84 Ca 0.28 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.59 1jfj h MET 84 Cb 0.46 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.25 1jfj h MET 84 CO -0.62 -0.02 0.29 -0.51 0.23 0.00 0.00 176.91 176.27 1jfj s ASP 85 N -5.23 4.22 -0.17 1.39 1.11 0.16 -4.68 116.67 113.48 1jfj s ASP 85 Ca -0.14 -0.42 0.07 0.00 0.18 0.00 0.00 52.55 52.24 1jfj s ASP 85 Cb 0.21 -2.56 0.48 0.00 1.07 0.00 0.00 42.92 42.12 1jfj s ASP 85 CO 0.74 -3.67 1.31 0.55 1.18 0.00 0.00 175.17 175.28 1jfj n VAL 86 N 8.52 1.79 -0.04 -1.27 3.14 -1.24 -3.97 118.33 125.27 1jfj n VAL 86 Ca 0.44 -0.90 -0.08 0.00 -2.96 0.00 0.00 64.34 60.84 1jfj n VAL 86 Cb 0.45 -0.42 -0.03 0.00 -1.06 0.00 0.00 33.84 32.78 1jfj n VAL 86 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1jfj n ASP 87 N 0.24 0.59 0.00 6.55 5.68 -1.26 -5.09 116.55 123.26 1jfj n ASP 87 Ca 0.20 0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 1jfj n ASP 87 Cb 0.89 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1jfj n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 88 N 2.51 0.54 1.18 6.12 0.00 -1.25 -5.09 105.19 109.19 1jfj n GLY 88 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1jfj n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfj n ASP 89 N 0.00 0.30 -0.05 1.61 8.00 -1.26 -5.06 116.55 120.09 1jfj n ASP 89 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1jfj n ASP 89 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfj n GLY 90 N 2.90 1.34 3.22 0.44 0.00 -1.26 -5.10 105.19 106.72 1jfj n GLY 90 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 1jfj n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jfj s LYS 91 N -1.37 0.84 0.29 1.61 0.00 -1.26 -3.37 119.74 116.48 1jfj s LYS 91 Ca 0.00 -0.84 0.05 0.00 0.00 0.00 0.00 55.97 55.17 1jfj s LYS 91 Cb 0.00 0.35 -0.06 0.00 0.00 0.00 0.00 37.83 38.12 1jfj s LYS 91 CO 0.00 -0.27 0.01 -0.51 0.00 0.00 0.00 175.35 174.58 1jfj s LEU 92 N -2.67 2.28 0.00 2.77 1.43 0.22 -4.83 118.68 117.88 1jfj s LEU 92 Ca 0.02 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 51.87 1jfj s LEU 92 Cb 0.03 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.80 1jfj s LEU 92 CO -0.09 -0.51 0.28 0.35 0.23 0.00 0.00 176.35 176.61 1jfj n THR 93 N -0.60 0.00 0.11 5.49 -2.24 -1.26 0.22 114.28 116.00 1jfj n THR 93 Ca -0.04 -1.68 -0.04 0.00 -2.27 0.00 0.00 64.05 60.03 1jfj n THR 93 Cb 0.65 0.90 0.08 0.00 -2.10 0.00 0.00 70.33 69.86 1jfj n THR 93 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jfj h LYS 94 N 0.00 0.03 0.16 -0.78 3.64 -1.73 -1.74 116.57 116.15 1jfj h LYS 94 Ca -0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1jfj h LYS 94 Cb 0.92 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1jfj h LYS 94 CO 0.27 0.75 -0.08 1.49 -2.27 0.00 0.00 179.45 179.61 1jfj h GLU 95 N 0.02 -0.21 -0.47 1.90 4.57 -1.97 0.12 114.58 118.55 1jfj h GLU 95 Ca -0.01 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1jfj h GLU 95 Cb 1.30 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.88 1jfj h GLU 95 CO 0.10 0.13 0.11 0.93 -1.18 0.00 0.00 179.01 179.10 1jfj h GLU 96 N -0.97 0.25 -0.47 1.92 5.08 -1.96 -0.58 114.58 117.84 1jfj h GLU 96 Ca -0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1jfj h GLU 96 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1jfj h GLU 96 CO 0.04 0.16 -0.15 -0.24 -1.00 0.00 0.00 179.01 177.82 1jfj h VAL 97 N 0.25 1.27 -0.23 3.13 3.04 -1.42 0.24 116.25 122.54 1jfj h VAL 97 Ca 0.23 -1.28 0.06 0.00 -1.01 0.00 0.00 66.70 64.70 1jfj h VAL 97 Cb 0.28 1.07 -0.07 0.00 -2.01 0.00 0.00 31.29 30.56 1jfj h VAL 97 CO -0.28 0.44 -0.24 0.74 -1.01 0.00 0.00 177.57 177.22 1jfj h THR 98 N 0.80 0.41 0.14 3.17 2.02 0.69 0.17 112.91 120.30 1jfj h THR 98 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1jfj h THR 98 Cb 0.69 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1jfj h THR 98 CO 0.05 0.00 -0.07 0.28 0.37 0.00 0.00 175.52 176.15 1jfj h SER 99 N -0.25 -0.16 -0.99 4.18 0.02 -1.08 -0.11 113.55 115.17 1jfj h SER 99 Ca 0.13 -0.39 0.19 0.00 -0.84 0.00 0.00 61.79 60.88 1jfj h SER 99 Cb 0.45 0.04 -0.18 0.00 0.14 0.00 0.00 62.40 62.85 1jfj h SER 99 CO -0.37 0.40 -0.27 0.15 -1.14 0.00 0.00 176.83 175.60 1jfj h PHE 100 N -0.83 -0.61 -0.04 3.45 3.57 -0.34 0.49 116.94 122.63 1jfj h PHE 100 Ca -0.02 0.09 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 1jfj h PHE 100 Cb 0.54 0.42 0.01 0.00 2.79 0.00 0.00 35.95 39.72 1jfj h PHE 100 CO 0.09 -0.42 -0.94 0.74 -2.23 0.00 0.00 178.31 175.55 1jfj h PHE 101 N -0.00 0.91 -0.96 0.41 0.04 -0.73 -3.20 116.94 113.41 1jfj h PHE 101 Ca 0.46 -0.47 0.27 0.00 2.80 0.00 0.00 57.97 61.03 1jfj h PHE 101 Cb 0.70 -0.11 -0.14 0.00 2.20 0.00 0.00 35.95 38.60 1jfj h PHE 101 CO -0.78 1.29 0.48 -0.22 -0.60 0.00 0.00 178.31 178.49 1jfj h LYS 102 N 0.38 0.37 -1.64 1.51 3.64 0.19 1.13 116.57 122.14 1jfj h LYS 102 Ca -0.09 -0.02 0.48 0.00 -1.27 0.00 0.00 60.65 59.74 1jfj h LYS 102 Cb 1.58 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.24 1jfj h LYS 102 CO 0.18 0.24 1.17 -0.22 -2.27 0.00 0.00 179.45 178.55 1jfj h LYS 103 N 0.38 0.01 0.00 1.90 3.11 -1.08 0.32 116.57 121.21 1jfj h LYS 103 Ca 0.65 -0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 58.24 1jfj h LYS 103 Cb 1.36 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.55 1jfj h LYS 103 CO -0.57 0.01 -1.36 1.58 -2.81 0.00 0.00 179.45 176.29 1jfj n HIS 104 N -4.08 0.96 0.00 1.91 -0.00 0.38 -5.01 115.22 109.37 1jfj n HIS 104 Ca 0.37 0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.96 1jfj n HIS 104 Cb 1.69 -1.10 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 1jfj n HIS 104 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jfj n GLY 105 N 1.43 1.44 3.15 1.57 0.00 0.11 -5.03 105.19 107.86 1jfj n GLY 105 Ca -0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1jfj n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jfj n ILE 106 N 0.00 1.93 0.16 -0.61 3.06 -1.26 -4.57 119.36 118.08 1jfj n ILE 106 Ca 0.00 -1.74 0.01 0.00 -2.50 0.00 0.00 62.75 58.52 1jfj n ILE 106 Cb 0.00 -2.32 0.27 0.00 0.54 0.00 0.00 39.64 38.13 1jfj n ILE 106 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1jfj h GLU 107 N 8.03 0.00 -1.46 9.51 5.08 -1.91 -2.86 114.58 130.97 1jfj h GLU 107 Ca 0.41 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 59.19 1jfj h GLU 107 Cb 0.70 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 1jfj h GLU 107 CO 1.86 0.49 1.03 1.57 -1.00 0.00 0.00 179.01 182.96 1jfj h LYS 108 N 0.00 0.04 -0.85 2.33 2.10 -1.99 1.44 116.57 119.64 1jfj h LYS 108 Ca -0.00 -0.00 0.12 0.00 -2.00 0.00 0.00 60.65 58.76 1jfj h LYS 108 Cb 0.88 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 32.12 1jfj h LYS 108 CO 0.06 0.03 0.48 0.28 -2.00 0.00 0.00 179.45 178.30 1jfj h VAL 109 N 0.05 0.84 -0.65 0.07 2.07 -1.89 0.38 116.25 117.12 1jfj h VAL 109 Ca 0.73 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 68.06 1jfj h VAL 109 Cb 2.76 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.52 1jfj h VAL 109 CO -0.10 0.14 0.43 0.00 0.02 0.00 0.00 177.57 178.06 1jfj h ALA 110 N 1.50 1.77 -0.17 1.67 0.00 0.18 0.27 119.26 124.48 1jfj h ALA 110 Ca 0.43 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 1jfj h ALA 110 Cb 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jfj h ALA 110 CO -0.29 0.12 -0.45 1.49 0.00 0.00 0.00 179.25 180.12 1jfj h GLU 111 N 0.65 0.61 -0.73 0.00 4.81 -0.34 -0.56 114.58 119.02 1jfj h GLU 111 Ca 0.28 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1jfj h GLU 111 Cb 0.27 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1jfj h GLU 111 CO -0.09 1.04 0.29 0.37 -0.73 0.00 0.00 179.01 179.89 1jfj h GLN 112 N 0.27 1.09 -0.33 1.92 -0.00 0.23 -0.73 115.11 117.55 1jfj h GLN 112 Ca -0.01 -0.19 -0.14 0.00 -0.00 0.00 0.00 58.65 58.31 1jfj h GLN 112 Cb 1.07 -0.18 -0.00 0.00 0.00 0.00 0.00 27.48 28.36 1jfj h GLN 112 CO 0.10 0.88 -0.36 0.28 0.00 0.00 0.00 178.83 179.73 1jfj h VAL 113 N 1.06 1.29 -0.76 2.39 2.07 -0.50 0.78 116.25 122.58 1jfj h VAL 113 Ca 0.24 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.26 1jfj h VAL 113 Cb 0.21 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1jfj h VAL 113 CO -0.02 0.50 0.49 -0.03 0.02 0.00 0.00 177.57 178.53 1jfj h MET 114 N 0.60 0.93 -0.00 1.57 1.85 -0.65 0.54 114.93 119.78 1jfj h MET 114 Ca 0.05 -0.06 -0.16 0.00 -0.61 0.00 0.00 59.70 58.92 1jfj h MET 114 Cb 0.94 -0.21 -0.02 0.00 0.43 0.00 0.00 31.60 32.74 1jfj h MET 114 CO 0.09 0.62 -0.77 0.87 -0.40 0.00 0.00 176.91 177.32 1jfj h LYS 115 N 0.96 0.05 -0.22 0.39 1.79 -1.06 -3.18 116.57 115.31 1jfj h LYS 115 Ca 0.30 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.66 1jfj h LYS 115 Cb -0.01 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1jfj h LYS 115 CO -0.10 0.79 -0.09 0.00 -1.08 0.00 0.00 179.45 178.97 1jfj h ALA 116 N 1.19 0.30 -0.89 3.86 0.00 0.20 -3.14 119.26 120.78 1jfj h ALA 116 Ca -0.01 -0.29 0.13 0.00 0.00 0.00 0.00 54.91 54.74 1jfj h ALA 116 Cb 1.35 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 1jfj h ALA 116 CO 0.10 0.13 -0.41 0.22 0.00 0.00 0.00 179.25 179.29 1jfj h ASP 117 N 0.15 -1.49 0.00 0.00 1.82 0.06 -3.43 116.42 113.53 1jfj h ASP 117 Ca 0.05 0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 1jfj h ASP 117 Cb 0.58 0.75 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1jfj h ASP 117 CO 0.03 -0.29 0.00 0.00 -1.61 0.00 0.00 179.24 177.37 1jfj n ALA 118 N -3.36 0.00 -0.33 -0.78 0.00 -1.19 -4.44 120.51 110.40 1jfj n ALA 118 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.54 1jfj n ALA 118 Cb 0.37 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.91 1jfj n ALA 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jfj h ASN 119 N 0.00 -1.03 0.00 0.00 -0.26 -1.91 -3.45 115.58 108.92 1jfj h ASN 119 Ca 0.00 0.28 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1jfj h ASN 119 Cb 0.00 0.62 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 1jfj h ASN 119 CO 0.00 -0.30 0.00 0.61 -1.06 0.00 0.00 177.43 176.68 1jfj n GLY 120 N -1.54 1.56 0.40 2.83 0.00 -1.26 -4.96 105.19 102.22 1jfj n GLY 120 Ca 0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1jfj n GLY 120 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1jfj h ASP 121 N 1.71 -1.81 0.00 1.61 3.04 -1.93 -3.45 116.42 115.58 1jfj h ASP 121 Ca 0.00 0.32 0.00 0.00 -3.24 0.00 0.00 57.03 54.11 1jfj h ASP 121 Cb 0.00 0.86 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 1jfj h ASP 121 CO 0.00 -0.26 0.00 0.61 -2.04 0.00 0.00 179.24 177.55 1jfj n GLY 122 N -1.36 1.63 3.26 7.15 0.00 -1.26 -5.04 105.19 109.56 1jfj n GLY 122 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1jfj n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jfj s TYR 123 N -2.00 1.30 0.24 1.61 1.51 -1.26 -1.84 117.35 116.92 1jfj s TYR 123 Ca 0.00 -1.09 -0.20 0.00 -1.01 0.00 0.00 57.07 54.77 1jfj s TYR 123 Cb 0.00 -0.75 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1jfj s TYR 123 CO 0.00 -0.28 0.65 -1.50 -1.11 0.00 0.00 175.55 173.31 1jfj s ILE 124 N -3.72 0.00 0.13 2.71 2.07 0.13 -4.93 121.20 117.59 1jfj s ILE 124 Ca 0.29 -0.83 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 1jfj s ILE 124 Cb 0.07 -1.78 -0.01 0.00 0.13 0.00 0.00 42.46 40.87 1jfj s ILE 124 CO 0.07 -0.02 0.09 0.35 -1.91 0.00 0.00 174.94 173.53 1jfj n THR 125 N -0.42 0.00 0.03 4.00 -2.24 -1.26 -0.61 114.28 113.78 1jfj n THR 125 Ca -0.07 -0.88 -0.16 0.00 -2.27 0.00 0.00 64.05 60.68 1jfj n THR 125 Cb 0.61 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1jfj n THR 125 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jfj h LEU 126 N 0.00 0.75 -0.00 3.22 -0.00 -1.94 -0.89 115.31 116.44 1jfj h LEU 126 Ca -0.09 -0.55 -0.00 0.00 -0.00 0.00 0.00 57.88 57.24 1jfj h LEU 126 Cb 0.44 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1jfj h LEU 126 CO 0.14 1.34 -0.01 -0.33 -0.00 0.00 0.00 178.44 179.58 1jfj h GLU 127 N 0.38 0.01 -0.55 1.13 5.08 -1.97 0.78 114.58 119.44 1jfj h GLU 127 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jfj h GLU 127 Cb 1.51 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.74 1jfj h GLU 127 CO 0.17 0.62 0.30 1.49 -1.00 0.00 0.00 179.01 180.59 1jfj h GLU 128 N -0.59 0.76 -0.02 2.33 4.81 -1.96 0.04 114.58 119.94 1jfj h GLU 128 Ca -0.00 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 1jfj h GLU 128 Cb 0.62 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1jfj h GLU 128 CO 0.00 0.56 -0.84 0.35 -0.73 0.00 0.00 179.01 178.35 1jfj h PHE 129 N 0.77 0.42 0.03 0.92 3.57 -1.15 0.34 116.94 121.84 1jfj h PHE 129 Ca 0.20 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jfj h PHE 129 Cb 0.03 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1jfj h PHE 129 CO 0.00 1.01 -0.02 1.25 -2.23 0.00 0.00 178.31 178.33 1jfj h LEU 130 N 0.18 -0.04 -0.22 0.59 5.85 -0.06 -2.49 115.31 119.13 1jfj h LEU 130 Ca -0.05 -0.30 -0.16 0.00 0.84 0.00 0.00 57.88 58.21 1jfj h LEU 130 Cb 1.45 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1jfj h LEU 130 CO 0.14 0.28 -0.49 -0.08 -0.34 0.00 0.00 178.44 177.95 1jfj h GLU 131 N -0.36 0.72 -0.55 1.25 4.81 -1.07 -3.26 114.58 116.12 1jfj h GLU 131 Ca -0.00 -0.48 0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1jfj h GLU 131 Cb 0.33 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.67 1jfj h GLU 131 CO 0.01 1.10 -0.32 0.35 -0.73 0.00 0.00 179.01 179.42 1jfj h PHE 132 N 0.44 -0.89 -0.97 0.92 3.57 -0.30 0.36 116.94 120.06 1jfj h PHE 132 Ca 0.00 0.07 0.27 0.00 3.53 0.00 0.00 57.97 61.84 1jfj h PHE 132 Cb 1.10 0.47 -0.14 0.00 2.79 0.00 0.00 35.95 40.18 1jfj h PHE 132 CO 0.09 -0.38 0.51 0.77 -2.23 0.00 0.00 178.31 177.07 1jfj h SER 133 N -0.17 0.48 0.00 0.41 0.02 -1.48 -3.50 113.55 109.31 1jfj h SER 133 Ca 0.22 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1jfj h SER 133 Cb 0.54 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1jfj h SER 133 CO -0.65 -0.03 0.00 -0.11 -1.14 0.00 0.00 176.83 174.90