#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 -0.76 -0.09 3.04 0.00 -2.06 1.46 119.26 120.85 1jfj h ALA 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1jfj h ALA 2 Cb 0.00 1.12 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1jfj h ALA 2 CO 0.00 -1.04 -0.81 1.05 0.00 0.00 0.00 179.25 178.45 1jfj h GLU 3 N -0.39 0.60 -0.08 0.00 4.11 -2.00 -3.26 114.58 113.57 1jfj h GLU 3 Ca 0.08 -0.53 0.04 0.00 0.07 0.00 0.00 59.36 59.02 1jfj h GLU 3 Cb 0.60 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1jfj h GLU 3 CO -0.60 1.15 -0.26 0.00 0.07 0.00 0.00 179.01 179.36 1jfj h ALA 4 N 0.69 -0.30 -0.77 1.06 0.00 -1.71 -2.19 119.26 116.04 1jfj h ALA 4 Ca -0.06 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1jfj h ALA 4 Cb 1.43 0.49 -0.11 0.00 0.00 0.00 0.00 17.79 19.60 1jfj h ALA 4 CO 0.15 -0.75 -0.58 -0.07 0.00 0.00 0.00 179.25 178.01 1jfj h LEU 5 N -0.36 -2.06 -1.76 0.00 4.07 0.19 1.53 115.31 116.92 1jfj h LEU 5 Ca 0.08 0.30 0.35 0.00 0.08 0.00 0.00 57.88 58.69 1jfj h LEU 5 Cb 0.49 0.89 -0.07 0.00 1.08 0.00 0.00 40.66 43.04 1jfj h LEU 5 CO -0.28 -0.30 0.85 0.15 -1.08 0.00 0.00 178.44 177.78 1jfj h PHE 6 N -0.15 0.24 0.06 1.13 3.57 -1.47 0.22 116.94 120.53 1jfj h PHE 6 Ca 0.13 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1jfj h PHE 6 Cb 0.48 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1jfj h PHE 6 CO -0.91 -0.01 -0.03 -0.22 -2.23 0.00 0.00 178.31 174.91 1jfj h LYS 7 N 0.12 -0.07 -0.56 1.11 3.11 0.25 -3.03 116.57 117.49 1jfj h LYS 7 Ca 0.63 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.58 1jfj h LYS 7 Cb 2.22 0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 33.36 1jfj h LYS 7 CO -0.13 0.53 -0.34 1.49 -2.81 0.00 0.00 179.45 178.19 1jfj h GLU 8 N -0.83 -0.17 -0.85 1.90 4.81 0.28 0.85 114.58 120.56 1jfj h GLU 8 Ca -0.01 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1jfj h GLU 8 Cb 0.64 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.00 1jfj h GLU 8 CO 0.01 -0.11 0.56 0.82 -0.73 0.00 0.00 179.01 179.56 1jfj h ILE 9 N -0.18 0.74 0.00 2.32 5.03 -1.25 -2.88 117.51 121.29 1jfj h ILE 9 Ca 0.22 -0.16 -0.42 0.00 -0.12 0.00 0.00 64.86 64.38 1jfj h ILE 9 Cb 0.55 0.24 0.02 0.00 -3.03 0.00 0.00 36.82 34.60 1jfj h ILE 9 CO -0.65 0.08 2.76 -0.67 -0.68 0.00 0.00 178.15 178.99 1jfj n ASP 10 N -4.51 5.32 -0.42 1.72 -0.08 0.29 -4.58 116.55 114.29 1jfj n ASP 10 Ca 0.17 -2.36 0.36 0.00 -1.51 0.00 0.00 54.79 51.45 1jfj n ASP 10 Cb 0.60 -1.15 0.68 0.00 2.34 0.00 0.00 41.12 43.59 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 3.42 0.30 0.21 5.18 2.07 -1.65 0.30 116.25 126.08 1jfj h VAL 11 Ca 0.54 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 68.03 1jfj h VAL 11 Cb 0.19 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1jfj h VAL 11 CO 1.50 0.02 -0.44 0.78 0.02 0.00 0.00 177.57 179.45 1jfj h ASN 12 N 0.11 -1.28 -0.15 0.57 4.21 -1.89 -3.47 115.58 113.67 1jfj h ASN 12 Ca 0.70 0.13 0.00 0.00 1.21 0.00 0.00 56.30 58.34 1jfj h ASN 12 Cb 2.43 0.46 0.00 0.00 -1.12 0.00 0.00 38.32 40.09 1jfj h ASN 12 CO -0.18 -0.53 0.00 0.61 -1.29 0.00 0.00 177.43 176.04 1jfj n GLY 13 N -1.49 0.69 0.06 2.83 0.00 0.11 -5.03 105.19 102.36 1jfj n GLY 13 Ca -0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 2.57 -0.12 1.61 5.68 -1.26 -5.03 116.55 119.99 1jfj n ASP 14 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1jfj n ASP 14 Cb 0.05 0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 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 2.49 1.13 3.23 6.12 0.00 -1.26 -5.10 105.19 111.81 1jfj n GLY 15 Ca -0.19 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.24 0.10 0.23 4.61 0.00 -1.26 -3.83 121.76 119.38 1jfj s ALA 16 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1jfj s ALA 16 Cb 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 1jfj s ALA 16 CO 0.00 -0.54 -0.06 0.08 0.00 0.00 0.00 175.76 175.24 1jfj s VAL 17 N -3.94 1.41 0.18 0.00 1.01 0.96 -4.89 120.40 115.13 1jfj s VAL 17 Ca 0.13 -2.10 0.03 0.00 0.00 0.00 0.00 61.98 60.03 1jfj s VAL 17 Cb 0.05 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1jfj s VAL 17 CO -0.05 -0.41 -0.04 -0.94 0.00 0.00 0.00 175.10 173.66 1jfj s SER 18 N -3.34 1.57 0.29 3.32 1.04 -1.26 0.24 113.70 115.56 1jfj s SER 18 Ca 0.26 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.61 1jfj s SER 18 Cb 0.03 0.04 0.71 0.00 0.10 0.00 0.00 66.02 66.91 1jfj s SER 18 CO 0.09 -0.47 1.73 0.10 0.98 0.00 0.00 173.24 175.67 1jfj h TYR 19 N 2.68 0.82 -0.05 5.02 -0.00 -1.73 1.78 116.97 125.48 1jfj h TYR 19 Ca -0.37 0.04 -0.17 0.00 0.00 0.00 0.00 58.73 58.23 1jfj h TYR 19 Cb 1.20 -0.22 -0.01 0.00 0.00 0.00 0.00 36.73 37.70 1jfj h TYR 19 CO 0.59 0.08 -0.70 1.49 -0.00 0.00 0.00 178.16 179.61 1jfj h GLU 20 N 0.55 0.27 -0.02 0.10 4.81 -1.96 -1.64 114.58 116.69 1jfj h GLU 20 Ca 0.56 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1jfj h GLU 20 Cb 0.97 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1jfj h GLU 20 CO -0.45 0.87 -0.13 1.49 -0.73 0.00 0.00 179.01 180.05 1jfj h GLU 21 N 0.19 0.12 -0.03 1.92 4.81 -0.71 -0.55 114.58 120.33 1jfj h GLU 21 Ca -0.02 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1jfj h GLU 21 Cb 1.26 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1jfj h GLU 21 CO 0.11 0.79 -0.06 -0.24 -0.73 0.00 0.00 179.01 178.88 1jfj h VAL 22 N -0.50 0.83 -0.55 0.32 3.04 0.24 0.48 116.25 120.11 1jfj h VAL 22 Ca -0.01 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.69 1jfj h VAL 22 Cb 0.82 0.83 -0.03 0.00 -2.01 0.00 0.00 31.29 30.90 1jfj h VAL 22 CO 0.03 0.00 0.35 0.07 -1.01 0.00 0.00 177.57 177.00 1jfj h LYS 23 N -0.10 0.68 -0.81 4.17 2.10 -1.37 0.49 116.57 121.72 1jfj h LYS 23 Ca 0.04 -0.04 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1jfj h LYS 23 Cb 0.15 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 31.28 1jfj h LYS 23 CO -0.09 0.45 0.54 0.00 -2.00 0.00 0.00 179.45 178.35 1jfj h ALA 24 N 1.22 1.44 0.73 0.07 0.00 -0.46 0.34 119.26 122.61 1jfj h ALA 24 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1jfj h ALA 24 Cb -0.03 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1jfj h ALA 24 CO -0.07 0.51 -0.35 0.35 0.00 0.00 0.00 179.25 179.69 1jfj h PHE 25 N 1.08 -0.91 -0.88 0.00 3.04 0.12 -1.92 116.94 117.46 1jfj h PHE 25 Ca 0.30 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.33 1jfj h PHE 25 Cb -0.09 0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 1jfj h PHE 25 CO -0.00 -0.55 0.57 -0.24 -2.02 0.00 0.00 178.31 176.07 1jfj h VAL 26 N -1.21 0.97 -0.18 1.41 3.04 -0.77 0.26 116.25 119.76 1jfj h VAL 26 Ca -0.10 -0.30 0.02 0.00 -1.01 0.00 0.00 66.70 65.31 1jfj h VAL 26 Cb 0.77 0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 1jfj h VAL 26 CO 0.17 0.16 0.12 0.28 -1.01 0.00 0.00 177.57 177.29 1jfj h SER 27 N 0.88 0.15 0.10 3.17 0.02 -0.20 0.76 113.55 118.43 1jfj h SER 27 Ca 0.41 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 1jfj h SER 27 Cb 0.40 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1jfj h SER 27 CO -0.17 0.11 -0.10 0.50 -1.14 0.00 0.00 176.83 176.02 1jfj h LYS 28 N 0.18 0.00 -0.05 3.45 1.63 0.34 -1.59 116.57 120.52 1jfj h LYS 28 Ca 0.07 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1jfj h LYS 28 Cb 0.08 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1jfj h LYS 28 CO -0.01 0.11 -0.01 1.63 -3.45 0.00 0.00 179.45 177.72 1jfj n LYS 29 N -4.42 1.58 -2.07 1.90 5.02 0.39 -5.03 118.16 115.53 1jfj n LYS 29 Ca -0.03 -2.64 -0.03 0.00 -2.02 0.00 0.00 58.31 53.59 1jfj n LYS 29 Cb 0.18 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jfj n ARG 30 N -1.27 0.13 -3.30 1.97 5.12 0.24 -5.04 116.66 114.51 1jfj n ARG 30 Ca 0.17 -0.56 -0.44 0.00 -1.93 0.00 0.00 57.85 55.10 1jfj n ARG 30 Cb 0.69 0.53 -0.08 0.00 -1.16 0.00 0.00 32.46 32.44 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 -1.84 3.46 -0.68 7.54 0.00 -1.26 -4.66 121.76 124.32 1jfj s ALA 31 Ca 0.06 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.12 1jfj s ALA 31 Cb -0.00 -3.14 -0.21 0.00 0.00 0.00 0.00 23.12 19.77 1jfj s ALA 31 CO 0.04 -1.76 1.57 0.44 0.00 0.00 0.00 175.76 176.06 1jfj n ILE 32 N 5.40 0.00 0.00 0.00 -6.64 -1.26 -2.88 119.36 113.97 1jfj n ILE 32 Ca -0.09 -0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.65 1jfj n ILE 32 Cb 0.45 -0.10 0.00 0.00 -1.44 0.00 0.00 39.64 38.56 1jfj n ILE 32 CO 0.00 0.00 0.00 2.29 -1.77 0.00 0.00 176.55 177.07 1jfj n LYS 33 N 4.32 0.00 -0.21 6.28 -0.00 -1.26 -4.94 118.16 122.35 1jfj n LYS 33 Ca 0.46 0.00 0.31 0.00 -0.00 0.00 0.00 58.31 59.08 1jfj n LYS 33 Cb 0.07 0.00 0.71 0.00 -0.00 0.00 0.00 35.03 35.81 1jfj n LYS 33 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.40 176.43 1jfj h ASN 34 N 0.00 0.00 -1.56 -5.58 -1.24 -1.90 0.49 115.58 105.79 1jfj h ASN 34 Ca 0.00 0.00 0.48 0.00 0.71 0.00 0.00 56.30 57.49 1jfj h ASN 34 Cb 0.00 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.95 1jfj h ASN 34 CO 0.00 0.00 1.08 -1.84 -1.29 0.00 0.00 177.43 175.38 1jfj n GLU 35 N -3.94 -0.01 0.27 6.67 0.28 -1.26 0.80 120.64 123.44 1jfj n GLU 35 Ca 0.21 1.05 -0.11 0.00 -0.16 0.00 0.00 57.16 58.15 1jfj n GLU 35 Cb 1.14 -2.26 -0.05 0.00 1.43 0.00 0.00 31.44 31.70 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1jfj h GLN 36 N 0.00 -0.70 0.77 3.44 4.15 -1.32 -0.58 115.11 120.86 1jfj h GLN 36 Ca 0.83 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 60.26 1jfj h GLN 36 Cb 3.05 0.16 0.01 0.00 0.21 0.00 0.00 27.48 30.91 1jfj h GLN 36 CO -0.19 -0.47 -0.37 -0.07 -1.93 0.00 0.00 178.83 175.80 1jfj h LEU 37 N -1.07 -0.87 -0.70 -2.39 4.07 0.01 -1.76 115.31 112.60 1jfj h LEU 37 Ca -0.07 0.01 0.08 0.00 0.08 0.00 0.00 57.88 57.97 1jfj h LEU 37 Cb 0.56 0.23 -0.10 0.00 1.08 0.00 0.00 40.66 42.42 1jfj h LEU 37 CO 0.12 -0.53 -0.55 0.25 -1.08 0.00 0.00 178.44 176.65 1jfj h LEU 38 N -1.20 -1.93 -0.52 1.67 6.46 0.25 0.64 115.31 120.69 1jfj h LEU 38 Ca -0.11 0.28 0.08 0.00 -0.12 0.00 0.00 57.88 58.02 1jfj h LEU 38 Cb 0.80 0.84 -0.10 0.00 -0.73 0.00 0.00 40.66 41.47 1jfj h LEU 38 CO 0.17 -0.32 -0.44 -0.61 -0.62 0.00 0.00 178.44 176.62 1jfj h GLN 39 N -0.19 -0.26 -0.90 1.25 4.15 -1.08 0.54 115.11 118.62 1jfj h GLN 39 Ca 0.13 0.02 0.20 0.00 0.77 0.00 0.00 58.65 59.77 1jfj h GLN 39 Cb 0.52 0.06 -0.17 0.00 0.21 0.00 0.00 27.48 28.09 1jfj h GLN 39 CO -0.77 -0.17 -0.14 1.25 -1.93 0.00 0.00 178.83 177.07 1jfj h LEU 40 N -0.27 -0.69 0.53 -2.39 6.46 0.02 0.25 115.31 119.21 1jfj h LEU 40 Ca 0.16 0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 58.15 1jfj h LEU 40 Cb 0.57 0.51 0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1jfj h LEU 40 CO -0.65 -0.30 -0.25 0.40 -0.62 0.00 0.00 178.44 177.02 1jfj h ILE 41 N 0.02 0.36 -0.98 4.05 2.04 0.59 -1.29 117.51 122.30 1jfj h ILE 41 Ca 0.47 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 66.06 1jfj h ILE 41 Cb 0.80 0.49 -0.12 0.00 -0.74 0.00 0.00 36.82 37.24 1jfj h ILE 41 CO -0.89 0.05 -0.54 0.33 0.00 0.00 0.00 178.15 177.09 1jfj n PHE 42 N -5.30 -0.35 -0.01 1.37 7.35 0.16 0.07 117.46 120.74 1jfj n PHE 42 Ca -0.11 1.22 -0.09 0.00 -0.76 0.00 0.00 57.45 57.71 1jfj n PHE 42 Cb 0.32 -0.63 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 1jfj n PHE 42 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1jfj h LYS 43 N 0.00 -0.08 -0.76 -4.13 1.57 -0.67 1.59 116.57 114.09 1jfj h LYS 43 Ca 0.19 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.15 1jfj h LYS 43 Cb 0.43 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.63 1jfj h LYS 43 CO -0.93 -0.05 0.00 0.77 -0.57 0.00 0.00 179.45 178.67 1jfj h SER 44 N -0.08 -0.36 0.22 0.86 0.02 0.87 -2.34 113.55 112.74 1jfj h SER 44 Ca 0.08 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1jfj h SER 44 Cb 0.21 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1jfj h SER 44 CO -0.19 -0.18 -0.10 0.40 -1.14 0.00 0.00 176.83 175.61 1jfj h ILE 45 N 0.10 0.16 -0.00 3.27 1.08 0.48 -3.43 117.51 119.17 1jfj h ILE 45 Ca 0.42 -0.87 -0.47 0.00 -0.39 0.00 0.00 64.86 63.55 1jfj h ILE 45 Cb 0.74 0.27 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 1jfj h ILE 45 CO -0.68 0.04 1.82 -0.67 -0.69 0.00 0.00 178.15 177.98 1jfj n ASP 46 N -4.97 -0.09 0.09 1.72 2.03 0.54 -4.66 116.55 111.21 1jfj n ASP 46 Ca -0.04 0.02 0.12 0.00 0.52 0.00 0.00 54.79 55.40 1jfj n ASP 46 Cb 0.15 -0.84 0.04 0.00 -0.72 0.00 0.00 41.12 39.76 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj h ALA 47 N 11.79 0.51 -0.07 -1.67 0.00 -1.83 -3.33 119.26 124.66 1jfj h ALA 47 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1jfj h ALA 47 Cb 1.27 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1jfj h ALA 47 CO 1.44 0.00 -0.84 0.22 0.00 0.00 0.00 179.25 180.07 1jfj h ASP 48 N 0.00 0.86 0.00 0.00 3.58 -1.94 -3.47 116.42 115.45 1jfj h ASP 48 Ca 0.00 -0.69 0.00 0.00 0.42 0.00 0.00 57.03 56.76 1jfj h ASP 48 Cb 0.92 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1jfj h ASP 48 CO 0.00 1.43 0.00 0.61 -2.88 0.00 0.00 179.24 178.40 1jfj n GLY 49 N 0.90 0.50 0.05 -0.78 0.00 -1.25 -4.90 105.19 99.69 1jfj n GLY 49 Ca -0.09 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.49 1jfj n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jfj n ASN 50 N 1.03 0.38 0.00 1.61 6.94 -1.26 -4.88 115.26 119.08 1jfj n ASN 50 Ca 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 54.58 55.05 1jfj n ASN 50 Cb 0.00 -0.57 0.00 0.00 -2.36 0.00 0.00 39.78 36.85 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jfj n GLY 51 N 1.42 1.50 3.52 4.83 0.00 -1.26 -4.97 105.19 110.22 1jfj n GLY 51 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.05 1.78 0.33 1.61 2.02 -1.26 -1.75 118.70 121.38 1jfj s GLU 52 Ca 0.00 -2.00 -0.05 0.00 0.02 0.00 0.00 54.97 52.93 1jfj s GLU 52 Cb 0.00 -1.17 0.02 0.00 0.10 0.00 0.00 34.13 33.08 1jfj s GLU 52 CO 0.00 -0.14 0.53 0.44 0.02 0.00 0.00 175.26 176.11 1jfj n ILE 53 N -0.81 0.00 -4.41 -1.63 -6.64 0.14 -4.92 119.36 101.09 1jfj n ILE 53 Ca -0.04 -1.38 -0.18 0.00 -1.77 0.00 0.00 62.75 59.38 1jfj n ILE 53 Cb 0.67 0.96 -0.04 0.00 -1.44 0.00 0.00 39.64 39.79 1jfj n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 1jfj n ASP 54 N -1.61 2.77 0.20 7.28 5.68 -1.26 -0.03 116.55 129.59 1jfj n ASP 54 Ca -0.02 -2.22 -0.15 0.00 -0.50 0.00 0.00 54.79 51.90 1jfj n ASP 54 Cb 0.53 0.19 -0.07 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.62 0.93 0.11 4.20 -1.95 0.64 115.11 118.41 1jfj h GLN 55 Ca -0.23 0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1jfj h GLN 55 Cb 0.70 0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.63 1jfj h GLN 55 CO 0.38 -0.42 -0.47 -0.91 -0.67 0.00 0.00 178.83 176.74 1jfj h ASN 56 N -0.65 -1.14 -1.08 1.46 4.21 -1.97 0.43 115.58 116.84 1jfj h ASN 56 Ca -0.02 0.05 0.29 0.00 1.21 0.00 0.00 56.30 57.83 1jfj h ASN 56 Cb 0.59 0.31 -0.09 0.00 -1.12 0.00 0.00 38.32 38.00 1jfj h ASN 56 CO -0.05 -0.78 0.70 -0.08 -1.29 0.00 0.00 177.43 175.92 1jfj h GLU 57 N -1.28 0.32 -0.12 0.81 4.81 -1.93 0.32 114.58 117.50 1jfj h GLU 57 Ca -0.13 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 1jfj h GLU 57 Cb 1.00 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.31 1jfj h GLU 57 CO 0.19 0.21 -0.50 0.35 -0.73 0.00 0.00 179.01 178.53 1jfj h PHE 58 N 0.33 0.73 -0.78 0.92 3.57 0.93 -1.06 116.94 121.58 1jfj h PHE 58 Ca 0.61 -0.31 0.11 0.00 3.53 0.00 0.00 57.97 61.91 1jfj h PHE 58 Cb 1.67 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 40.21 1jfj h PHE 58 CO -0.00 1.09 0.40 0.00 -2.23 0.00 0.00 178.31 177.56 1jfj h ALA 59 N 0.49 1.11 0.00 2.41 0.00 0.36 0.42 119.26 124.06 1jfj h ALA 59 Ca -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jfj h ALA 59 Cb 1.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1jfj h ALA 59 CO 0.10 -0.05 -0.00 0.87 0.00 0.00 0.00 179.25 180.18 1jfj h LYS 60 N 0.63 -0.00 -0.70 0.00 1.79 -1.18 -2.98 116.57 114.13 1jfj h LYS 60 Ca 0.40 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 59.05 1jfj h LYS 60 Cb 0.47 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.09 1jfj h LYS 60 CO -0.30 0.48 0.49 0.35 -1.08 0.00 0.00 179.45 179.39 1jfj h PHE 61 N -0.49 0.16 -0.57 -1.35 3.57 -0.28 0.58 116.94 118.56 1jfj h PHE 61 Ca -0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1jfj h PHE 61 Cb 0.49 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1jfj h PHE 61 CO 0.09 0.05 0.30 -0.92 -2.23 0.00 0.00 178.31 175.61 1jfj h TYR 62 N 0.13 0.79 -0.08 0.41 5.03 -0.05 -3.06 116.97 120.13 1jfj h TYR 62 Ca 0.34 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.56 1jfj h TYR 62 Cb 1.16 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1jfj h TYR 62 CO -0.00 0.58 -0.23 0.78 -1.32 0.00 0.00 178.16 177.97 1jfj h GLY 63 N 0.76 0.33 -5.58 1.82 0.00 -0.92 -3.33 103.07 96.16 1jfj h GLY 63 Ca 0.20 -0.41 -0.39 0.00 0.00 0.00 0.00 47.33 46.72 1jfj h GLY 63 CO -0.03 0.37 2.50 -1.14 0.00 0.00 0.00 176.54 178.24 1jfj n SER 64 N -4.51 4.44 -2.54 0.19 3.41 -0.41 -4.44 113.62 109.76 1jfj n SER 64 Ca -0.08 -2.35 -0.29 0.00 -0.26 0.00 0.00 58.87 55.90 1jfj n SER 64 Cb 0.44 -1.07 0.01 0.00 -0.26 0.00 0.00 64.21 63.32 1jfj n SER 64 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1jfj n ILE 65 N 4.44 2.56 -3.72 -1.33 -5.35 -1.25 -4.90 119.36 109.81 1jfj n ILE 65 Ca 0.43 -4.83 -0.37 0.00 -0.27 0.00 0.00 62.75 57.71 1jfj n ILE 65 Cb 0.15 -1.26 -0.12 0.00 -1.74 0.00 0.00 39.64 36.68 1jfj n ILE 65 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1jfj s GLN 66 N -3.62 3.82 0.00 6.28 -0.21 -1.26 -4.88 119.66 119.78 1jfj s GLN 66 Ca 0.49 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.47 1jfj s GLN 66 Cb 0.41 -3.45 0.00 0.00 1.00 0.00 0.00 33.01 30.97 1jfj s GLN 66 CO -0.22 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.23 1jfj n GLY 67 N 4.80 -0.51 2.64 3.09 0.00 -1.26 -5.04 105.19 108.90 1jfj n GLY 67 Ca -0.15 0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1jfj n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jfj s GLN 68 N 0.00 0.35 -0.35 1.61 -0.21 -1.26 -5.04 119.66 114.76 1jfj s GLN 68 Ca 0.00 -0.42 0.02 0.00 0.02 0.00 0.00 55.36 54.98 1jfj s GLN 68 Cb 0.00 -1.76 0.19 0.00 1.00 0.00 0.00 33.01 32.44 1jfj s GLN 68 CO 0.00 -0.79 0.74 0.34 -2.12 0.00 0.00 175.29 173.46 1jfj s ASP 69 N 1.98 -1.22 0.05 5.90 2.15 -1.26 -4.96 116.67 119.31 1jfj s ASP 69 Ca 0.04 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 52.73 1jfj s ASP 69 Cb -0.16 1.64 0.00 0.00 -0.30 0.00 0.00 42.92 44.09 1jfj s ASP 69 CO -0.18 -0.17 0.00 -0.11 -0.17 0.00 0.00 175.17 174.54 1jfj n LEU 70 N 4.68 -0.44 0.01 -1.34 0.00 -1.26 -4.96 117.00 113.68 1jfj n LEU 70 Ca 0.08 0.21 -0.18 0.00 0.00 0.00 0.00 56.01 56.12 1jfj n LEU 70 Cb 0.57 0.63 -0.10 0.00 0.00 0.00 0.00 43.42 44.52 1jfj n LEU 70 CO -0.05 -0.06 0.23 0.28 0.00 0.00 0.00 177.39 177.78 1jfj h SER 71 N 0.00 0.70 -0.56 1.96 0.02 -2.00 -3.08 113.55 110.60 1jfj h SER 71 Ca 0.00 -0.72 0.16 0.00 -0.84 0.00 0.00 61.79 60.39 1jfj h SER 71 Cb 0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1jfj h SER 71 CO 0.00 1.32 0.40 -0.78 -1.14 0.00 0.00 176.83 176.63 1jfj h ASP 72 N 0.14 0.03 -0.50 3.07 1.82 -1.93 0.57 116.42 119.62 1jfj h ASP 72 Ca -0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.50 1jfj h ASP 72 Cb 1.40 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.39 1jfj h ASP 72 CO 0.14 0.01 0.09 -0.78 -1.61 0.00 0.00 179.24 177.09 1jfj h ASP 73 N 0.03 0.79 0.36 2.28 3.58 -1.91 0.84 116.42 122.39 1jfj h ASP 73 Ca 0.27 -0.26 -0.21 0.00 0.42 0.00 0.00 57.03 57.25 1jfj h ASP 73 Cb 1.02 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 1jfj h ASP 73 CO -0.01 0.85 -0.86 0.50 -2.88 0.00 0.00 179.24 176.84 1jfj h LYS 74 N 0.70 0.36 -0.10 0.28 3.11 -0.52 -2.19 116.57 118.22 1jfj h LYS 74 Ca 0.15 -0.36 -0.02 0.00 -2.81 0.00 0.00 60.65 57.61 1jfj h LYS 74 Cb 0.39 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1jfj h LYS 74 CO 0.01 1.03 -0.03 0.82 -2.81 0.00 0.00 179.45 178.47 1jfj h ILE 75 N 0.22 1.30 0.37 2.00 2.04 0.23 -1.28 117.51 122.39 1jfj h ILE 75 Ca -0.06 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1jfj h ILE 75 Cb 1.47 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 1jfj h ILE 75 CO 0.14 0.28 -0.29 1.23 0.00 0.00 0.00 178.15 179.51 1jfj h GLY 76 N -0.14 -0.71 0.18 5.37 0.00 0.67 0.15 103.07 108.59 1jfj h GLY 76 Ca 0.02 0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.75 1jfj h GLY 76 CO 0.01 -0.27 -0.20 -2.00 0.00 0.00 0.00 176.54 174.08 1jfj h LEU 77 N -0.66 -0.65 -0.19 3.11 5.85 -1.43 0.32 115.31 121.66 1jfj h LEU 77 Ca -0.03 0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.88 1jfj h LEU 77 Cb 0.58 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1jfj h LEU 77 CO -0.01 -0.23 -0.25 0.50 -0.34 0.00 0.00 178.44 178.11 1jfj h LYS 78 N -0.18 -0.28 -0.69 1.25 3.11 -0.96 0.23 116.57 119.05 1jfj h LYS 78 Ca 0.15 0.02 0.15 0.00 -2.81 0.00 0.00 60.65 58.16 1jfj h LYS 78 Cb 0.41 0.06 -0.11 0.00 -1.00 0.00 0.00 32.23 31.59 1jfj h LYS 78 CO -0.39 -0.18 0.04 0.28 -2.81 0.00 0.00 179.45 176.39 1jfj h VAL 79 N -0.29 0.44 0.37 2.00 2.07 0.42 0.44 116.25 121.70 1jfj h VAL 79 Ca 0.12 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1jfj h VAL 79 Cb 0.47 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1jfj h VAL 79 CO -0.35 0.03 -0.24 -0.07 0.02 0.00 0.00 177.57 176.96 1jfj h LEU 80 N 0.14 -0.60 -0.84 2.57 4.07 0.76 0.24 115.31 121.66 1jfj h LEU 80 Ca 0.37 0.04 0.21 0.00 0.08 0.00 0.00 57.88 58.58 1jfj h LEU 80 Cb 0.63 0.18 -0.14 0.00 1.08 0.00 0.00 40.66 42.42 1jfj h LEU 80 CO -0.57 -0.38 0.14 1.88 -1.08 0.00 0.00 178.44 178.43 1jfj h TYR 81 N -0.59 0.17 0.00 1.13 -1.99 0.13 1.27 116.97 117.10 1jfj h TYR 81 Ca -0.04 0.05 -0.11 0.00 2.00 0.00 0.00 58.73 60.63 1jfj h TYR 81 Cb 0.49 0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1jfj h TYR 81 CO -0.10 -0.23 -0.55 1.57 -0.00 0.00 0.00 178.16 178.85 1jfj h LYS 82 N 0.16 0.00 -0.44 4.88 5.09 -0.53 -2.09 116.57 123.64 1jfj h LYS 82 Ca 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 61.18 1jfj h LYS 82 Cb 0.96 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.27 1jfj h LYS 82 CO -0.67 0.55 0.04 1.25 -2.09 0.00 0.00 179.45 178.53 1jfj h LEU 83 N 0.00 0.65 -0.09 7.07 6.46 0.49 -2.70 115.31 127.19 1jfj h LEU 83 Ca -0.01 -0.13 -0.25 0.00 -0.12 0.00 0.00 57.88 57.38 1jfj h LEU 83 Cb 0.98 -0.17 0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1jfj h LEU 83 CO 0.07 0.69 -0.93 -0.03 -0.62 0.00 0.00 178.44 177.62 1jfj h MET 84 N 0.66 0.70 -5.78 1.25 4.05 -0.41 -3.40 114.93 111.99 1jfj h MET 84 Ca 0.14 -0.68 -0.35 0.00 -0.28 0.00 0.00 59.70 58.54 1jfj h MET 84 Cb 0.35 0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 1jfj h MET 84 CO 0.01 1.27 0.91 0.34 0.23 0.00 0.00 176.91 179.67 1jfj s ASP 85 N -7.20 5.11 -0.73 1.39 -1.08 -0.82 -4.79 116.67 108.56 1jfj s ASP 85 Ca -0.09 -0.31 -0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1jfj s ASP 85 Cb 0.08 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.36 1jfj s ASP 85 CO 0.91 -2.69 1.80 0.52 0.52 0.00 0.00 175.17 176.23 1jfj n VAL 86 N 7.72 3.29 0.00 1.11 0.31 -1.26 -4.35 118.33 125.15 1jfj n VAL 86 Ca 0.35 -4.36 0.00 0.00 -0.01 0.00 0.00 64.34 60.31 1jfj n VAL 86 Cb 0.48 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1jfj n VAL 86 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1jfj n ASP 87 N -0.55 0.29 0.00 4.52 5.68 -1.26 -5.11 116.55 120.11 1jfj n ASP 87 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.80 1jfj n ASP 87 Cb 0.37 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 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 1.88 0.76 1.41 6.12 0.00 -1.26 -5.08 105.19 109.02 1jfj n GLY 88 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jfj n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 89 N 0.00 0.00 -0.09 1.61 5.75 -1.26 -5.06 116.55 117.50 1jfj n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 89 Cb 0.00 0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 90 N 0.42 1.19 3.60 6.12 0.00 -1.26 -5.08 105.19 110.17 1jfj n GLY 90 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.06 2.06 0.23 1.61 -2.85 -1.26 -3.14 119.74 114.32 1jfj s LYS 91 Ca 0.00 -1.68 -0.22 0.00 -1.00 0.00 0.00 55.97 53.07 1jfj s LYS 91 Cb 0.00 0.51 0.04 0.00 -2.06 0.00 0.00 37.83 36.32 1jfj s LYS 91 CO 0.00 -0.90 0.67 -0.48 0.10 0.00 0.00 175.35 174.74 1jfj s LEU 92 N -3.19 -0.39 0.29 2.77 -0.00 0.12 -4.90 118.68 113.37 1jfj s LEU 92 Ca 0.26 -0.34 0.12 0.00 -0.00 0.00 0.00 54.13 54.16 1jfj s LEU 92 Cb -0.02 2.67 -0.05 0.00 -0.00 0.00 0.00 46.19 48.79 1jfj s LEU 92 CO 0.18 -1.18 -0.19 0.42 -0.00 0.00 0.00 176.35 175.58 1jfj s THR 93 N -3.85 2.47 0.47 5.48 -4.23 -1.26 -0.27 115.64 114.45 1jfj s THR 93 Ca 0.07 -2.39 0.20 0.00 -1.18 0.00 0.00 61.69 58.39 1jfj s THR 93 Cb -0.04 -2.34 0.38 0.00 1.34 0.00 0.00 72.50 71.84 1jfj s THR 93 CO -0.02 -0.38 1.95 0.50 -0.54 0.00 0.00 174.62 176.13 1jfj h LYS 94 N 2.24 0.24 -0.01 3.99 3.64 -1.91 0.41 116.57 125.17 1jfj h LYS 94 Ca -0.40 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 58.77 1jfj h LYS 94 Cb 1.26 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1jfj h LYS 94 CO 0.61 0.16 -0.84 1.49 -2.27 0.00 0.00 179.45 178.60 1jfj h GLU 95 N 0.25 0.24 -0.04 1.90 4.81 -1.95 -0.33 114.58 119.45 1jfj h GLU 95 Ca 0.33 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1jfj h GLU 95 Cb 0.94 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 1jfj h GLU 95 CO -0.07 0.95 -0.02 1.49 -0.73 0.00 0.00 179.01 180.62 1jfj h GLU 96 N 0.14 0.09 -0.34 1.92 4.81 -0.70 -0.00 114.58 120.49 1jfj h GLU 96 Ca -0.04 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1jfj h GLU 96 Cb 1.45 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1jfj h GLU 96 CO 0.13 0.50 -0.02 -0.24 -0.73 0.00 0.00 179.01 178.65 1jfj h VAL 97 N -0.33 1.26 -0.94 0.32 3.04 -0.89 -0.54 116.25 118.18 1jfj h VAL 97 Ca 0.01 -1.01 0.04 0.00 -1.01 0.00 0.00 66.70 64.73 1jfj h VAL 97 Cb 0.48 1.23 -0.06 0.00 -2.01 0.00 0.00 31.29 30.94 1jfj h VAL 97 CO 0.01 0.33 0.62 0.74 -1.01 0.00 0.00 177.57 178.26 1jfj h THR 98 N 0.42 1.15 -0.42 3.17 2.02 -1.06 0.86 112.91 119.05 1jfj h THR 98 Ca 0.10 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 1jfj h THR 98 Cb 0.48 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1jfj h THR 98 CO 0.02 0.21 -0.30 0.77 0.37 0.00 0.00 175.52 176.60 1jfj h SER 99 N 1.17 0.99 -0.32 4.18 4.64 -0.72 0.37 113.55 123.87 1jfj h SER 99 Ca 0.38 -0.43 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1jfj h SER 99 Cb 0.04 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 1jfj h SER 99 CO -0.12 1.21 0.15 0.15 -0.87 0.00 0.00 176.83 177.35 1jfj h PHE 100 N 0.78 0.46 0.00 4.77 3.57 -0.14 -2.77 116.94 123.61 1jfj h PHE 100 Ca 0.08 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 1jfj h PHE 100 Cb 0.89 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 1jfj h PHE 100 CO 0.06 0.41 -0.72 0.74 -2.23 0.00 0.00 178.31 176.57 1jfj h PHE 101 N 0.38 0.00 -1.81 0.41 0.04 -0.82 -3.17 116.94 111.97 1jfj h PHE 101 Ca 0.11 0.00 0.55 0.00 2.80 0.00 0.00 57.97 61.43 1jfj h PHE 101 Cb 0.12 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.18 1jfj h PHE 101 CO -0.02 0.72 1.27 1.17 -0.60 0.00 0.00 178.31 180.85 1jfj n LYS 102 N -3.62 -0.01 -0.33 1.51 4.81 0.13 0.96 118.16 121.60 1jfj n LYS 102 Ca -0.01 1.14 0.23 0.00 -0.87 0.00 0.00 58.31 58.81 1jfj n LYS 102 Cb 0.72 -2.51 0.44 0.00 0.02 0.00 0.00 35.03 33.70 1jfj n LYS 102 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1jfj h LYS 103 N 0.00 0.00 0.01 1.64 2.10 -1.65 0.73 116.57 119.40 1jfj h LYS 103 Ca 0.93 -0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 59.26 1jfj h LYS 103 Cb 3.52 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 34.79 1jfj h LYS 103 CO -0.16 0.00 -1.96 0.72 -2.00 0.00 0.00 179.45 176.05 1jfj n HIS 104 N -5.38 0.66 -1.13 0.07 8.25 0.27 -4.99 115.22 112.97 1jfj n HIS 104 Ca 0.31 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1jfj n HIS 104 Cb 1.03 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1jfj n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jfj n GLY 105 N 1.65 0.65 2.73 -1.41 0.00 0.26 -4.95 105.19 104.13 1jfj n GLY 105 Ca -0.23 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 1jfj n GLY 105 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jfj n ILE 106 N -3.00 3.13 -0.65 -0.61 -0.00 -1.26 -4.69 119.36 112.27 1jfj n ILE 106 Ca 0.00 -2.47 0.51 0.00 -0.00 0.00 0.00 62.75 60.79 1jfj n ILE 106 Cb 0.19 -2.50 0.80 0.00 -0.00 0.00 0.00 39.64 38.12 1jfj n ILE 106 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1jfj h GLU 107 N 6.30 0.00 -0.41 6.28 4.81 -1.94 0.44 114.58 130.06 1jfj h GLU 107 Ca 0.58 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.89 1jfj h GLU 107 Cb 0.54 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.83 1jfj h GLU 107 CO 1.85 0.00 -0.39 -0.22 -0.73 0.00 0.00 179.01 179.52 1jfj h LYS 108 N 0.00 -0.29 -0.99 1.92 1.63 -2.00 0.59 116.57 117.43 1jfj h LYS 108 Ca 0.89 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.89 1jfj h LYS 108 Cb 3.63 0.07 -0.10 0.00 -0.60 0.00 0.00 32.23 35.23 1jfj h LYS 108 CO -0.01 -0.19 0.61 -0.24 -3.45 0.00 0.00 179.45 176.17 1jfj h VAL 109 N -0.30 0.72 -0.90 2.00 3.04 -0.51 0.48 116.25 120.78 1jfj h VAL 109 Ca 0.15 -0.24 0.05 0.00 -1.01 0.00 0.00 66.70 65.65 1jfj h VAL 109 Cb 0.57 -0.05 -0.06 0.00 -2.01 0.00 0.00 31.29 29.74 1jfj h VAL 109 CO -0.57 0.13 0.57 0.00 -1.01 0.00 0.00 177.57 176.69 1jfj h ALA 110 N 1.63 1.21 -0.20 3.17 0.00 0.07 0.54 119.26 125.67 1jfj h ALA 110 Ca 0.55 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 1jfj h ALA 110 Cb 0.93 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1jfj h ALA 110 CO -0.33 0.39 -0.41 1.49 0.00 0.00 0.00 179.25 180.39 1jfj h GLU 111 N 1.08 0.46 0.00 0.00 4.57 0.14 -0.25 114.58 120.59 1jfj h GLU 111 Ca 0.37 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1jfj h GLU 111 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1jfj h GLU 111 CO -0.14 0.80 -0.00 1.96 -1.18 0.00 0.00 179.01 180.44 1jfj h GLN 112 N 0.38 -0.00 -0.34 1.92 1.08 0.42 0.22 115.11 118.80 1jfj h GLN 112 Ca 0.03 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1jfj h GLN 112 Cb 0.88 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1jfj h GLN 112 CO 0.07 0.18 -0.13 -0.24 -0.95 0.00 0.00 178.83 177.77 1jfj h VAL 113 N -0.18 1.24 -0.78 -0.54 3.04 -0.90 0.26 116.25 118.38 1jfj h VAL 113 Ca -0.00 -1.09 -0.03 0.00 -1.01 0.00 0.00 66.70 64.57 1jfj h VAL 113 Cb 0.18 1.13 -0.04 0.00 -2.01 0.00 0.00 31.29 30.56 1jfj h VAL 113 CO 0.00 0.36 0.35 -0.03 -1.01 0.00 0.00 177.57 177.24 1jfj h MET 114 N 0.54 1.14 -0.00 4.17 1.85 -0.74 -0.84 114.93 121.04 1jfj h MET 114 Ca 0.10 -0.18 -0.17 0.00 -0.61 0.00 0.00 59.70 58.84 1jfj h MET 114 Cb 0.54 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.35 1jfj h MET 114 CO 0.03 0.90 -0.78 0.87 -0.40 0.00 0.00 176.91 177.53 1jfj h LYS 115 N 1.11 0.04 -0.53 0.39 1.79 -0.58 -3.14 116.57 115.64 1jfj h LYS 115 Ca 0.26 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1jfj h LYS 115 Cb 0.15 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1jfj h LYS 115 CO -0.03 0.80 0.22 0.00 -1.08 0.00 0.00 179.45 179.36 1jfj h ALA 116 N 1.19 0.68 -2.09 3.86 0.00 -0.33 -3.29 119.26 119.28 1jfj h ALA 116 Ca -0.01 -0.15 -0.76 0.00 0.00 0.00 0.00 54.91 53.99 1jfj h ALA 116 Cb 1.37 -0.21 -0.22 0.00 0.00 0.00 0.00 17.79 18.74 1jfj h ALA 116 CO 0.10 0.28 0.91 0.34 0.00 0.00 0.00 179.25 180.88 1jfj s ASP 117 N -5.99 7.10 -0.38 0.00 -1.08 -0.38 -4.77 116.67 111.17 1jfj s ASP 117 Ca -0.13 -3.09 0.07 0.00 -0.52 0.00 0.00 52.55 48.88 1jfj s ASP 117 Cb 0.12 -2.32 0.71 0.00 -1.46 0.00 0.00 42.92 39.97 1jfj s ASP 117 CO 0.78 -0.61 1.85 0.00 0.52 0.00 0.00 175.17 177.72 1jfj n ALA 118 N 4.60 5.03 -0.10 3.66 0.00 -1.24 -4.33 120.51 128.13 1jfj n ALA 118 Ca 0.29 -2.55 -0.16 0.00 0.00 0.00 0.00 53.44 51.02 1jfj n ALA 118 Cb 0.42 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.46 1jfj n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jfj n ASN 119 N -0.57 1.85 0.00 0.00 5.03 -1.26 -5.03 115.26 115.29 1jfj n ASN 119 Ca 0.49 0.48 0.00 0.00 0.87 0.00 0.00 54.58 56.42 1jfj n ASN 119 Cb 1.51 -0.91 0.00 0.00 -1.02 0.00 0.00 39.78 39.36 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jfj n GLY 120 N 1.48 1.06 0.21 7.41 0.00 -1.26 -5.01 105.19 109.08 1jfj n GLY 120 Ca -0.25 0.00 -0.07 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 1.86 -0.82 0.00 1.61 3.04 -1.95 -3.46 116.42 116.69 1jfj h ASP 121 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1jfj h ASP 121 Cb 0.00 0.33 0.00 0.00 -1.04 0.00 0.00 39.33 38.62 1jfj h ASP 121 CO 0.00 -0.20 0.00 0.61 -2.04 0.00 0.00 179.24 177.61 1jfj n GLY 122 N -1.18 1.76 3.23 7.15 0.00 -1.26 -5.12 105.19 109.78 1jfj n GLY 122 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1jfj n GLY 122 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfj s TYR 123 N -2.00 0.05 0.12 1.61 1.13 -1.26 -3.18 117.35 113.82 1jfj s TYR 123 Ca 0.00 -0.45 -0.08 0.00 -1.41 0.00 0.00 57.07 55.13 1jfj s TYR 123 Cb 0.00 0.03 -0.01 0.00 -1.10 0.00 0.00 41.96 40.88 1jfj s TYR 123 CO 0.00 -0.58 0.21 0.42 -2.51 0.00 0.00 175.55 173.08 1jfj s ILE 124 N -3.82 0.12 0.45 -3.49 1.01 0.63 -4.95 121.20 111.14 1jfj s ILE 124 Ca 0.04 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.39 1jfj s ILE 124 Cb 0.04 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1jfj s ILE 124 CO -0.11 -0.52 0.03 0.42 0.00 0.00 0.00 174.94 174.75 1jfj s THR 125 N -3.92 1.32 0.24 2.92 -4.23 -1.26 -0.70 115.64 110.01 1jfj s THR 125 Ca 0.11 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1jfj s THR 125 Cb 0.05 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.46 1jfj s THR 125 CO -0.06 0.00 1.68 -0.07 -0.54 0.00 0.00 174.62 175.63 1jfj h LEU 126 N 1.60 0.69 -0.13 4.79 4.07 -1.92 0.47 115.31 124.87 1jfj h LEU 126 Ca -0.42 -0.23 -0.04 0.00 0.08 0.00 0.00 57.88 57.27 1jfj h LEU 126 Cb 1.28 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1jfj h LEU 126 CO 0.73 0.88 -0.06 -0.33 -1.08 0.00 0.00 178.44 178.58 1jfj h GLU 127 N 0.61 0.28 -0.22 1.13 4.39 -1.96 0.58 114.58 119.40 1jfj h GLU 127 Ca 0.09 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 1jfj h GLU 127 Cb 0.66 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1jfj h GLU 127 CO 0.05 0.61 -0.35 1.49 -1.16 0.00 0.00 179.01 179.65 1jfj h GLU 128 N -0.06 0.47 -0.13 2.33 4.81 -1.93 0.08 114.58 120.15 1jfj h GLU 128 Ca 0.03 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.92 1jfj h GLU 128 Cb 0.53 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1jfj h GLU 128 CO 0.02 0.76 -0.50 0.35 -0.73 0.00 0.00 179.01 178.91 1jfj h PHE 129 N 0.40 0.43 0.10 0.92 3.57 0.02 0.16 116.94 122.53 1jfj h PHE 129 Ca 0.04 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1jfj h PHE 129 Cb 0.80 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1jfj h PHE 129 CO 0.03 0.78 -0.05 1.25 -2.23 0.00 0.00 178.31 178.08 1jfj h LEU 130 N 0.28 -0.12 -1.88 0.59 6.46 -0.61 -2.99 115.31 117.04 1jfj h LEU 130 Ca 0.01 -0.45 -0.02 0.00 -0.12 0.00 0.00 57.88 57.30 1jfj h LEU 130 Cb 0.97 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1jfj h LEU 130 CO 0.08 0.51 -0.08 -0.33 -0.62 0.00 0.00 178.44 178.01 1jfj h GLU 131 N -0.87 0.00 0.00 1.25 4.39 -1.02 -0.83 114.58 117.50 1jfj h GLU 131 Ca -0.01 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1jfj h GLU 131 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1jfj h GLU 131 CO 0.02 0.08 -0.28 0.35 -1.16 0.00 0.00 179.01 178.02 1jfj h PHE 132 N 0.00 0.00 0.00 4.33 3.57 -0.69 -2.00 116.94 122.15 1jfj h PHE 132 Ca -0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1jfj h PHE 132 Cb 0.14 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1jfj h PHE 132 CO 0.00 0.28 -0.66 0.77 -2.23 0.00 0.00 178.31 176.47 1jfj h SER 133 N 0.00 0.00 0.00 0.41 0.02 -0.99 -3.50 113.55 109.48 1jfj h SER 133 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jfj h SER 133 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1jfj h SER 133 CO 0.04 0.66 0.00 0.18 -1.14 0.00 0.00 176.83 176.57