#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 -0.39 0.65 3.04 0.00 -2.05 -2.11 119.26 118.40 1jfj h ALA 2 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1jfj h ALA 2 Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jfj h ALA 2 CO 0.00 -0.56 -0.39 0.93 0.00 0.00 0.00 179.25 179.23 1jfj h GLU 3 N -0.71 -0.95 -1.35 0.00 4.39 -1.99 -0.09 114.58 113.88 1jfj h GLU 3 Ca -0.04 0.06 0.40 0.00 0.34 0.00 0.00 59.36 60.12 1jfj h GLU 3 Cb 0.49 0.22 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 1jfj h GLU 3 CO 0.07 -0.63 0.93 0.00 -1.16 0.00 0.00 179.01 178.22 1jfj h ALA 4 N -0.71 3.01 0.37 3.43 0.00 -1.99 0.33 119.26 123.70 1jfj h ALA 4 Ca -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1jfj h ALA 4 Cb 0.79 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jfj h ALA 4 CO 0.09 -1.47 -0.18 -0.07 0.00 0.00 0.00 179.25 177.61 1jfj h LEU 5 N 0.10 -0.43 -1.30 0.00 4.07 -0.54 0.15 115.31 117.36 1jfj h LEU 5 Ca 0.71 -0.07 0.24 0.00 0.08 0.00 0.00 57.88 58.84 1jfj h LEU 5 Cb 2.50 0.11 -0.09 0.00 1.08 0.00 0.00 40.66 44.25 1jfj h LEU 5 CO -0.17 0.02 0.64 0.15 -1.08 0.00 0.00 178.44 178.01 1jfj h PHE 6 N -1.07 0.74 -0.05 1.13 3.04 0.13 0.28 116.94 121.14 1jfj h PHE 6 Ca -0.05 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.70 1jfj h PHE 6 Cb 0.47 -0.22 0.02 0.00 2.56 0.00 0.00 35.95 38.78 1jfj h PHE 6 CO 0.02 0.11 -0.84 -0.22 -2.02 0.00 0.00 178.31 175.35 1jfj h LYS 7 N 0.48 0.65 -0.01 1.11 3.11 -0.55 -3.03 116.57 118.33 1jfj h LYS 7 Ca 0.58 -0.64 0.03 0.00 -2.81 0.00 0.00 60.65 57.81 1jfj h LYS 7 Cb 1.32 0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 32.66 1jfj h LYS 7 CO -0.31 1.24 -0.40 1.49 -2.81 0.00 0.00 179.45 178.67 1jfj h GLU 8 N 0.31 -0.53 -0.98 1.90 4.81 0.24 -0.10 114.58 120.23 1jfj h GLU 8 Ca -0.09 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.34 1jfj h GLU 8 Cb 1.50 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.90 1jfj h GLU 8 CO 0.17 -0.35 0.59 0.97 -0.73 0.00 0.00 179.01 179.65 1jfj h ILE 9 N -0.55 0.76 -0.03 2.32 -0.00 -1.25 -3.17 117.51 115.59 1jfj h ILE 9 Ca 0.05 -0.27 -0.61 0.00 -0.00 0.00 0.00 64.86 64.03 1jfj h ILE 9 Cb 0.63 -0.11 0.07 0.00 -0.00 0.00 0.00 36.82 37.41 1jfj h ILE 9 CO -0.31 0.15 1.98 -0.67 -0.00 0.00 0.00 178.15 179.29 1jfj n ASP 10 N -4.75 2.20 -0.03 2.19 2.03 -0.05 -4.65 116.55 113.49 1jfj n ASP 10 Ca 0.21 -2.64 -0.08 0.00 0.52 0.00 0.00 54.79 52.80 1jfj n ASP 10 Cb 0.50 -1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 39.85 1jfj n ASP 10 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jfj h VAL 11 N 4.74 0.55 -0.51 5.18 2.07 -1.72 -1.65 116.25 124.92 1jfj h VAL 11 Ca 0.37 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.99 1jfj h VAL 11 Cb 0.70 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 30.91 1jfj h VAL 11 CO 1.92 0.00 -0.26 -0.55 0.02 0.00 0.00 177.57 178.70 1jfj h ASN 12 N -0.18 -0.88 -0.55 0.57 -1.07 -1.92 -3.46 115.58 108.09 1jfj h ASN 12 Ca 0.12 0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.68 1jfj h ASN 12 Cb 0.35 0.46 0.00 0.00 -2.07 0.00 0.00 38.32 37.06 1jfj h ASN 12 CO -0.30 -0.27 0.00 0.61 0.07 0.00 0.00 177.43 177.54 1jfj n GLY 13 N -1.42 0.59 0.00 9.14 0.00 -0.62 -5.01 105.19 107.87 1jfj n GLY 13 Ca 0.04 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.28 0.81 -0.03 1.61 5.75 -1.26 -4.97 116.55 118.19 1jfj n ASP 14 Ca 0.00 -0.73 -0.00 0.00 -0.01 0.00 0.00 54.79 54.04 1jfj n ASP 14 Cb 0.12 1.20 -0.00 0.00 -1.03 0.00 0.00 41.12 41.41 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 15 N 1.43 0.42 3.15 6.12 0.00 -1.26 -5.02 105.19 110.04 1jfj n GLY 15 Ca 0.02 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.01 0.03 0.00 4.61 0.00 -1.26 -3.92 121.76 119.21 1jfj s ALA 16 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1jfj s ALA 16 Cb 0.00 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1jfj s ALA 16 CO 0.00 -0.43 0.00 1.33 0.00 0.00 0.00 175.76 176.66 1jfj n VAL 17 N 0.13 0.00 -4.02 0.00 0.24 0.16 -4.84 118.33 110.00 1jfj n VAL 17 Ca -0.15 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.05 1jfj n VAL 17 Cb 0.61 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.91 1jfj n VAL 17 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jfj s SER 18 N -0.97 0.06 0.21 -1.34 1.04 -1.26 -1.03 113.70 110.41 1jfj s SER 18 Ca 0.00 -0.98 -0.09 0.00 0.48 0.00 0.00 55.95 55.35 1jfj s SER 18 Cb 0.00 0.44 0.31 0.00 0.10 0.00 0.00 66.02 66.87 1jfj s SER 18 CO 0.00 -0.91 1.70 0.22 0.98 0.00 0.00 173.24 175.24 1jfj h TYR 19 N 2.54 0.22 -0.24 5.02 3.20 -1.91 1.37 116.97 127.16 1jfj h TYR 19 Ca -0.32 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.56 1jfj h TYR 19 Cb 1.23 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 1jfj h TYR 19 CO 0.40 -0.03 0.03 1.49 -1.64 0.00 0.00 178.16 178.41 1jfj h GLU 20 N 0.27 0.40 -0.69 1.82 4.81 -1.97 -1.54 114.58 117.68 1jfj h GLU 20 Ca 0.32 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1jfj h GLU 20 Cb 0.49 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1jfj h GLU 20 CO -0.41 0.54 0.25 0.93 -0.73 0.00 0.00 179.01 179.59 1jfj h GLU 21 N 0.20 1.04 0.67 1.92 5.08 -1.65 0.98 114.58 122.82 1jfj h GLU 21 Ca 0.07 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1jfj h GLU 21 Cb 0.34 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1jfj h GLU 21 CO 0.01 0.87 -0.38 0.28 -1.00 0.00 0.00 179.01 178.79 1jfj h VAL 22 N 1.01 0.23 -0.02 3.13 2.07 0.20 0.68 116.25 123.55 1jfj h VAL 22 Ca 0.23 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.76 1jfj h VAL 22 Cb 0.24 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1jfj h VAL 22 CO -0.01 0.00 0.02 0.07 0.02 0.00 0.00 177.57 177.66 1jfj h LYS 23 N -0.98 0.00 -0.46 1.57 2.10 -1.14 0.68 116.57 118.34 1jfj h LYS 23 Ca -0.09 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.48 1jfj h LYS 23 Cb 0.77 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.08 1jfj h LYS 23 CO 0.11 0.00 -0.04 0.00 -2.00 0.00 0.00 179.45 177.52 1jfj h ALA 24 N 1.99 1.05 -0.07 0.07 0.00 0.12 0.24 119.26 122.66 1jfj h ALA 24 Ca 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1jfj h ALA 24 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jfj h ALA 24 CO -0.00 0.59 -0.35 0.35 0.00 0.00 0.00 179.25 179.83 1jfj h PHE 25 N 0.73 0.49 0.73 0.00 3.57 0.13 -2.87 116.94 119.73 1jfj h PHE 25 Ca 0.14 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1jfj h PHE 25 Cb 0.51 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.18 1jfj h PHE 25 CO 0.03 0.96 -0.35 0.28 -2.23 0.00 0.00 178.31 177.00 1jfj h VAL 26 N -0.12 0.21 -0.91 1.41 2.07 -1.03 -2.92 116.25 114.96 1jfj h VAL 26 Ca -0.02 -0.14 0.22 0.00 0.82 0.00 0.00 66.70 67.57 1jfj h VAL 26 Cb 1.00 0.24 -0.17 0.00 -1.52 0.00 0.00 31.29 30.85 1jfj h VAL 26 CO 0.07 0.01 -0.07 -1.28 0.02 0.00 0.00 177.57 176.33 1jfj h SER 27 N -1.10 -0.58 -1.92 0.57 0.87 -0.64 1.62 113.55 112.37 1jfj h SER 27 Ca -0.10 0.26 0.56 0.00 -1.23 0.00 0.00 61.79 61.28 1jfj h SER 27 Cb 0.78 0.49 -0.08 0.00 -0.44 0.00 0.00 62.40 63.14 1jfj h SER 27 CO 0.17 -0.30 1.37 0.50 -0.53 0.00 0.00 176.83 178.04 1jfj h LYS 28 N 0.03 0.00 0.00 2.24 1.63 -1.29 -2.90 116.57 116.27 1jfj h LYS 28 Ca 0.50 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1jfj h LYS 28 Cb 0.92 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1jfj h LYS 28 CO -0.88 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 176.76 1jfj n LYS 29 N -4.00 0.00 0.00 1.90 5.02 0.55 -5.08 118.16 116.56 1jfj n LYS 29 Ca 0.44 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 1jfj n LYS 29 Cb 1.97 -0.04 0.00 0.00 -0.02 0.00 0.00 35.03 36.94 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 -0.12 3.64 -2.70 1.97 1.74 -1.10 -5.09 116.66 115.00 1jfj n ARG 30 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 1jfj n ARG 30 Cb 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfj n ALA 31 N -3.00 1.50 -2.02 7.54 0.00 -1.26 -4.00 120.51 119.27 1jfj n ALA 31 Ca 0.00 -1.59 -0.42 0.00 0.00 0.00 0.00 53.44 51.43 1jfj n ALA 31 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1jfj n ALA 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jfj n ILE 32 N -0.48 3.99 -2.37 0.00 5.41 -1.26 -4.50 119.36 120.16 1jfj n ILE 32 Ca -0.01 -3.73 -0.06 0.00 1.00 0.00 0.00 62.75 59.95 1jfj n ILE 32 Cb 0.84 -2.46 -0.00 0.00 -0.71 0.00 0.00 39.64 37.30 1jfj n ILE 32 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1jfj n LYS 33 N 4.73 -2.51 -0.01 0.38 2.85 -1.26 -4.70 118.16 117.63 1jfj n LYS 33 Ca 0.47 0.28 0.23 0.00 -1.05 0.00 0.00 58.31 58.24 1jfj n LYS 33 Cb 0.37 -4.79 0.72 0.00 -0.65 0.00 0.00 35.03 30.67 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 1jfj h ASN 34 N 0.00 0.00 -0.09 -5.58 -1.07 -1.94 -1.64 115.58 105.26 1jfj h ASN 34 Ca -0.14 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.26 1jfj h ASN 34 Cb 1.04 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.24 1jfj h ASN 34 CO 0.16 0.00 -0.50 -0.08 0.07 0.00 0.00 177.43 177.09 1jfj h GLU 35 N 0.00 -0.53 0.41 4.14 4.81 -1.94 1.16 114.58 122.63 1jfj h GLU 35 Ca 0.28 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1jfj h GLU 35 Cb 1.26 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1jfj h GLU 35 CO -0.00 -0.36 -0.20 0.37 -0.73 0.00 0.00 179.01 178.09 1jfj h GLN 36 N -0.56 -0.53 -0.87 1.92 4.15 -1.69 -1.12 115.11 116.41 1jfj h GLN 36 Ca 0.02 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.56 1jfj h GLN 36 Cb 0.63 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 28.33 1jfj h GLN 36 CO -0.38 -0.35 -0.54 1.25 -1.93 0.00 0.00 178.83 176.87 1jfj h LEU 37 N -0.85 -1.98 -0.87 -2.39 7.12 -1.41 1.29 115.31 116.23 1jfj h LEU 37 Ca -0.06 0.30 0.16 0.00 0.13 0.00 0.00 57.88 58.41 1jfj h LEU 37 Cb 0.42 0.87 -0.10 0.00 -0.53 0.00 0.00 40.66 41.32 1jfj h LEU 37 CO 0.09 -0.23 0.45 0.25 -0.13 0.00 0.00 178.44 178.87 1jfj h LEU 38 N -0.03 0.53 -1.32 2.25 6.46 0.13 0.46 115.31 123.78 1jfj h LEU 38 Ca 0.14 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1jfj h LEU 38 Cb 0.39 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1jfj h LEU 38 CO -0.84 0.20 0.39 -0.61 -0.62 0.00 0.00 178.44 176.96 1jfj h GLN 39 N 0.61 0.84 0.43 1.25 -0.00 0.26 0.59 115.11 119.09 1jfj h GLN 39 Ca 0.48 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 59.05 1jfj h GLN 39 Cb 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1jfj h GLN 39 CO -0.38 0.58 -0.21 1.25 0.00 0.00 0.00 178.83 180.08 1jfj h LEU 40 N 0.86 -0.49 0.21 -2.39 5.85 0.48 -1.45 115.31 118.38 1jfj h LEU 40 Ca 0.23 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.97 1jfj h LEU 40 Cb -0.05 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1jfj h LEU 40 CO -0.04 -0.16 -0.51 -0.29 -0.34 0.00 0.00 178.44 177.09 1jfj h ILE 41 N -0.95 0.02 -0.60 4.05 6.09 -0.70 0.16 117.51 125.58 1jfj h ILE 41 Ca -0.06 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.49 1jfj h ILE 41 Cb 0.44 0.02 -0.09 0.00 0.47 0.00 0.00 36.82 37.66 1jfj h ILE 41 CO 0.10 0.00 -0.55 0.15 -3.07 0.00 0.00 178.15 174.77 1jfj h PHE 42 N -0.81 -1.72 -0.47 2.19 3.04 0.07 0.52 116.94 119.77 1jfj h PHE 42 Ca -0.02 0.10 0.10 0.00 3.98 0.00 0.00 57.97 62.13 1jfj h PHE 42 Cb 0.78 0.83 -0.09 0.00 2.56 0.00 0.00 35.95 40.03 1jfj h PHE 42 CO -0.40 -0.43 -0.17 -0.22 -2.02 0.00 0.00 178.31 175.06 1jfj h LYS 43 N -0.25 -0.07 -0.96 1.11 1.63 -0.92 1.31 116.57 118.43 1jfj h LYS 43 Ca 0.10 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 60.04 1jfj h LYS 43 Cb 0.51 0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 32.08 1jfj h LYS 43 CO -0.70 -0.04 0.61 0.77 -3.45 0.00 0.00 179.45 176.64 1jfj h SER 44 N -0.07 0.80 0.35 4.20 0.02 0.18 -2.66 113.55 116.36 1jfj h SER 44 Ca 0.22 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1jfj h SER 44 Cb 0.41 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1jfj h SER 44 CO -0.52 0.40 -0.17 0.40 -1.14 0.00 0.00 176.83 175.81 1jfj h ILE 45 N 0.84 0.00 -0.32 3.27 1.08 0.40 -3.40 117.51 119.39 1jfj h ILE 45 Ca 0.49 -0.63 -0.15 0.00 -0.39 0.00 0.00 64.86 64.18 1jfj h ILE 45 Cb 0.64 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 1jfj h ILE 45 CO -0.26 0.00 0.77 -0.67 -0.69 0.00 0.00 178.15 177.30 1jfj n ASP 46 N -4.99 0.84 0.03 1.72 -0.08 0.41 -4.67 116.55 109.82 1jfj n ASP 46 Ca -0.06 -1.10 -0.20 0.00 -1.51 0.00 0.00 54.79 51.92 1jfj n ASP 46 Cb 0.18 -1.31 -0.14 0.00 2.34 0.00 0.00 41.12 42.19 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jfj h ALA 47 N 12.67 -0.02 -0.37 -1.67 0.00 -1.79 -3.33 119.26 124.75 1jfj h ALA 47 Ca -0.01 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 1jfj h ALA 47 Cb 1.07 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jfj h ALA 47 CO 1.21 0.49 -0.04 0.38 0.00 0.00 0.00 179.25 181.30 1jfj h ASP 48 N -0.37 0.68 0.00 0.00 3.04 -1.95 -3.47 116.42 114.34 1jfj h ASP 48 Ca -0.19 -0.33 0.00 0.00 -3.24 0.00 0.00 57.03 53.27 1jfj h ASP 48 Cb 1.66 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 1jfj h ASP 48 CO 0.12 0.85 0.00 0.61 -2.04 0.00 0.00 179.24 178.78 1jfj n GLY 49 N -0.28 0.96 0.12 7.15 0.00 -1.25 -4.94 105.19 106.95 1jfj n GLY 49 Ca -0.01 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 1.02 0.58 0.00 1.61 0.23 -1.26 -4.83 115.26 112.61 1jfj n ASN 50 Ca 0.00 0.66 0.00 0.00 -0.53 0.00 0.00 54.58 54.71 1jfj n ASN 50 Cb 0.15 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 51 N -0.23 2.43 3.31 4.83 0.00 -1.26 -4.98 105.19 109.29 1jfj n GLY 51 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.09 1.21 0.34 1.61 8.01 -1.26 -2.73 118.70 125.80 1jfj s GLU 52 Ca 0.00 -1.44 0.05 0.00 0.01 0.00 0.00 54.97 53.59 1jfj s GLU 52 Cb 0.00 -1.08 -0.03 0.00 -4.31 0.00 0.00 34.13 28.71 1jfj s GLU 52 CO 0.00 0.20 0.21 0.96 0.01 0.00 0.00 175.26 176.64 1jfj s ILE 53 N -2.54 0.21 0.28 -1.63 -4.36 -0.20 -4.95 121.20 108.01 1jfj s ILE 53 Ca 0.17 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1jfj s ILE 53 Cb -0.03 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.23 1jfj s ILE 53 CO 0.05 0.00 0.00 -0.90 0.24 0.00 0.00 174.94 174.33 1jfj n ASP 54 N -1.34 2.72 0.16 4.36 5.75 -1.26 0.37 116.55 127.31 1jfj n ASP 54 Ca 0.02 -2.23 0.05 0.00 -0.01 0.00 0.00 54.79 52.62 1jfj n ASP 54 Cb 0.64 0.21 0.48 0.00 -1.03 0.00 0.00 41.12 41.41 1jfj n ASP 54 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1jfj h GLN 55 N 0.00 0.17 0.55 0.11 -0.00 -1.97 0.14 115.11 114.11 1jfj h GLN 55 Ca -0.23 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.37 1jfj h GLN 55 Cb 0.70 -0.03 0.01 0.00 -0.00 0.00 0.00 27.48 28.16 1jfj h GLN 55 CO 0.38 0.24 -0.27 -0.97 -0.00 0.00 0.00 178.83 178.22 1jfj h ASN 56 N 0.17 -0.63 -0.31 0.06 -1.24 -1.95 -0.58 115.58 111.09 1jfj h ASN 56 Ca 0.04 0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.15 1jfj h ASN 56 Cb 0.22 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1jfj h ASN 56 CO 0.01 -0.22 0.23 -0.33 -1.29 0.00 0.00 177.43 175.83 1jfj h GLU 57 N -1.19 0.00 -0.21 6.67 5.08 -1.91 -0.62 114.58 122.40 1jfj h GLU 57 Ca -0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1jfj h GLU 57 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1jfj h GLU 57 CO 0.12 0.00 -0.29 0.35 -1.00 0.00 0.00 179.01 178.19 1jfj h PHE 58 N 0.00 0.71 -0.12 4.33 3.57 -0.65 0.41 116.94 125.19 1jfj h PHE 58 Ca 0.15 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1jfj h PHE 58 Cb 0.61 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1jfj h PHE 58 CO 0.00 0.95 0.06 0.00 -2.23 0.00 0.00 178.31 177.10 1jfj h ALA 59 N 0.63 0.15 -0.09 2.41 0.00 0.36 0.95 119.26 123.68 1jfj h ALA 59 Ca 0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1jfj h ALA 59 Cb 0.87 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1jfj h ALA 59 CO 0.07 -0.30 -0.39 -0.22 0.00 0.00 0.00 179.25 178.40 1jfj h LYS 60 N 0.09 0.18 -0.49 0.00 3.11 -1.25 -2.74 116.57 115.47 1jfj h LYS 60 Ca 0.04 -0.08 -0.08 0.00 -2.81 0.00 0.00 60.65 57.72 1jfj h LYS 60 Cb 0.09 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.29 1jfj h LYS 60 CO -0.01 0.55 -0.01 0.35 -2.81 0.00 0.00 179.45 177.53 1jfj h PHE 61 N 0.15 0.88 -0.42 1.91 3.04 0.44 -3.16 116.94 119.79 1jfj h PHE 61 Ca 0.02 -0.13 0.05 0.00 3.98 0.00 0.00 57.97 61.89 1jfj h PHE 61 Cb 0.77 -0.24 -0.08 0.00 2.56 0.00 0.00 35.95 38.95 1jfj h PHE 61 CO 0.01 0.81 -0.54 -0.92 -2.02 0.00 0.00 178.31 175.66 1jfj h TYR 62 N 0.77 -1.63 -6.44 0.41 5.03 -0.50 -3.47 116.97 111.14 1jfj h TYR 62 Ca 0.15 0.08 -0.19 0.00 2.58 0.00 0.00 58.73 61.35 1jfj h TYR 62 Cb 0.47 0.77 0.01 0.00 1.55 0.00 0.00 36.73 39.53 1jfj h TYR 62 CO 0.03 -0.48 -1.10 0.41 -1.32 0.00 0.00 178.16 175.69 1jfj n GLY 63 N -1.38 0.02 2.72 1.82 0.00 -1.20 -4.88 105.19 102.29 1jfj n GLY 63 Ca -0.03 0.58 -0.31 0.00 0.00 0.00 0.00 46.02 46.26 1jfj n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jfj n SER 64 N 0.56 5.48 0.11 1.61 7.64 -1.26 -4.75 113.62 123.01 1jfj n SER 64 Ca -0.04 -3.73 -0.01 0.00 1.01 0.00 0.00 58.87 56.10 1jfj n SER 64 Cb 0.58 -0.69 0.26 0.00 -1.01 0.00 0.00 64.21 63.35 1jfj n SER 64 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1jfj h ILE 65 N 2.56 1.29 -1.03 0.44 3.07 -2.02 -3.47 117.51 118.35 1jfj h ILE 65 Ca 0.32 -1.39 0.00 0.00 1.55 0.00 0.00 64.86 65.35 1jfj h ILE 65 Cb 0.55 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1jfj h ILE 65 CO 0.98 0.41 0.00 0.00 -1.05 0.00 0.00 178.15 178.50 1jfj n GLN 66 N -4.07 0.00 -3.59 0.16 6.02 -1.26 -5.18 117.38 109.46 1jfj n GLN 66 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.86 1jfj n GLN 66 Cb 0.44 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.64 1jfj n GLN 66 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1jfj s GLY 67 N -2.02 -0.32 0.65 1.08 0.00 -1.26 -5.15 107.32 100.29 1jfj s GLY 67 Ca 0.00 2.06 -0.05 0.00 0.00 0.00 0.00 44.72 46.74 1jfj s GLY 67 CO 0.00 1.30 0.94 -0.86 0.00 0.00 0.00 173.10 174.48 1jfj s GLN 68 N -0.63 2.41 -0.31 2.90 -2.07 -1.26 -5.09 119.66 115.62 1jfj s GLN 68 Ca -0.02 -0.32 -0.00 0.00 -1.82 0.00 0.00 55.36 53.20 1jfj s GLN 68 Cb -0.02 -2.26 0.14 0.00 -1.09 0.00 0.00 33.01 29.78 1jfj s GLN 68 CO 0.01 -1.02 0.29 0.34 -1.32 0.00 0.00 175.29 173.59 1jfj s ASP 69 N -4.46 1.82 0.08 12.60 -1.08 -1.26 -4.93 116.67 119.44 1jfj s ASP 69 Ca 0.58 -1.01 0.00 0.00 -0.52 0.00 0.00 52.55 51.60 1jfj s ASP 69 Cb -0.11 0.40 0.00 0.00 -1.46 0.00 0.00 42.92 41.75 1jfj s ASP 69 CO 0.43 -0.37 0.00 -0.11 0.52 0.00 0.00 175.17 175.65 1jfj n LEU 70 N 5.06 -0.71 -0.23 -1.34 -0.00 -1.26 -4.95 117.00 113.58 1jfj n LEU 70 Ca 0.01 0.17 -0.07 0.00 -0.00 0.00 0.00 56.01 56.12 1jfj n LEU 70 Cb 0.45 0.99 0.04 0.00 -0.00 0.00 0.00 43.42 44.90 1jfj n LEU 70 CO 0.03 -0.26 1.04 0.28 -0.00 0.00 0.00 177.39 178.48 1jfj h SER 71 N 0.00 0.82 -1.19 1.96 0.02 -2.01 -1.49 113.55 111.67 1jfj h SER 71 Ca 0.00 -0.12 0.35 0.00 -0.84 0.00 0.00 61.79 61.17 1jfj h SER 71 Cb 0.00 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 1jfj h SER 71 CO 0.00 0.71 0.87 -0.78 -1.14 0.00 0.00 176.83 176.50 1jfj h ASP 72 N 0.87 0.00 -0.53 3.07 3.58 -1.92 1.31 116.42 122.79 1jfj h ASP 72 Ca 0.22 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 1jfj h ASP 72 Cb 0.10 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1jfj h ASP 72 CO -0.03 0.00 0.15 -0.78 -2.88 0.00 0.00 179.24 175.70 1jfj h ASP 73 N 0.00 0.79 -0.04 2.28 3.58 -1.64 0.46 116.42 121.85 1jfj h ASP 73 Ca 0.57 -0.22 -0.22 0.00 0.42 0.00 0.00 57.03 57.57 1jfj h ASP 73 Cb 2.31 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 43.17 1jfj h ASP 73 CO -0.01 0.80 -0.85 0.11 -2.88 0.00 0.00 179.24 176.41 1jfj h LYS 74 N 0.74 0.64 0.00 0.28 1.79 0.14 -3.07 116.57 117.09 1jfj h LYS 74 Ca 0.17 -0.64 -0.03 0.00 -2.18 0.00 0.00 60.65 57.97 1jfj h LYS 74 Cb 0.31 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1jfj h LYS 74 CO -0.00 1.24 -0.14 0.82 -1.08 0.00 0.00 179.45 180.29 1jfj h ILE 75 N 0.29 1.07 0.57 1.86 2.04 -0.21 -1.07 117.51 122.06 1jfj h ILE 75 Ca -0.10 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1jfj h ILE 75 Cb 1.51 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1jfj h ILE 75 CO 0.17 0.14 -0.34 1.23 0.00 0.00 0.00 178.15 179.34 1jfj h GLY 76 N 0.43 -0.93 1.30 5.37 0.00 0.02 0.22 103.07 109.49 1jfj h GLY 76 Ca -0.00 0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 1jfj h GLY 76 CO 0.02 -0.33 0.11 -2.00 0.00 0.00 0.00 176.54 174.33 1jfj h LEU 77 N -0.86 0.81 -0.11 3.11 5.85 -1.50 -1.41 115.31 121.20 1jfj h LEU 77 Ca -0.07 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1jfj h LEU 77 Cb 0.70 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1jfj h LEU 77 CO 0.08 0.81 -0.08 0.50 -0.34 0.00 0.00 178.44 179.41 1jfj h LYS 78 N 0.83 -0.09 0.75 1.25 3.64 -0.85 0.10 116.57 122.20 1jfj h LYS 78 Ca 0.18 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1jfj h LYS 78 Cb 0.34 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1jfj h LYS 78 CO 0.00 -0.06 -0.43 0.28 -2.27 0.00 0.00 179.45 176.98 1jfj h VAL 79 N -0.09 0.13 -0.86 2.00 2.07 -0.23 0.71 116.25 119.98 1jfj h VAL 79 Ca 0.07 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.76 1jfj h VAL 79 Cb 0.19 0.13 -0.16 0.00 -1.52 0.00 0.00 31.29 29.93 1jfj h VAL 79 CO -0.17 0.00 -0.22 -0.07 0.02 0.00 0.00 177.57 177.13 1jfj h LEU 80 N -1.10 -0.82 -1.33 2.57 3.38 -1.02 1.50 115.31 118.49 1jfj h LEU 80 Ca -0.10 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1jfj h LEU 80 Cb 0.87 0.54 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 1jfj h LEU 80 CO 0.12 -0.29 0.25 1.88 0.09 0.00 0.00 178.44 180.50 1jfj h TYR 81 N -0.00 0.70 -0.51 1.13 0.05 -0.40 0.13 116.97 118.06 1jfj h TYR 81 Ca 0.41 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 59.09 1jfj h TYR 81 Cb 0.63 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1jfj h TYR 81 CO -0.68 0.51 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.71 1jfj h LYS 82 N 0.71 0.91 0.11 4.88 3.11 0.43 -2.09 116.57 124.64 1jfj h LYS 82 Ca 0.18 -0.29 -0.01 0.00 -2.81 0.00 0.00 60.65 57.72 1jfj h LYS 82 Cb 0.06 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1jfj h LYS 82 CO -0.03 0.94 -0.05 -0.07 -2.81 0.00 0.00 179.45 177.43 1jfj h LEU 83 N 0.77 -0.13 -0.61 5.20 -0.00 0.46 -3.15 115.31 117.85 1jfj h LEU 83 Ca 0.14 -0.25 0.12 0.00 -0.00 0.00 0.00 57.88 57.89 1jfj h LEU 83 Cb 0.53 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.11 1jfj h LEU 83 CO 0.03 0.18 -0.26 0.24 -0.00 0.00 0.00 178.44 178.63 1jfj h MET 84 N -0.45 -0.10 -5.84 1.13 2.86 -0.69 -3.30 114.93 108.54 1jfj h MET 84 Ca -0.02 0.01 -0.39 0.00 -2.06 0.00 0.00 59.70 57.24 1jfj h MET 84 Cb 0.37 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 1jfj h MET 84 CO 0.03 -0.07 1.02 0.34 1.06 0.00 0.00 176.91 179.29 1jfj s ASP 85 N -5.19 5.21 -0.56 1.22 -1.08 -0.79 -4.90 116.67 110.58 1jfj s ASP 85 Ca -0.14 -0.22 -0.11 0.00 -0.52 0.00 0.00 52.55 51.56 1jfj s ASP 85 Cb 0.17 -2.55 0.14 0.00 -1.46 0.00 0.00 42.92 39.23 1jfj s ASP 85 CO 0.71 -2.57 0.46 -0.69 0.52 0.00 0.00 175.17 173.60 1jfj s VAL 86 N 9.58 4.62 0.00 1.11 1.01 -1.24 -4.49 120.40 130.99 1jfj s VAL 86 Ca 0.68 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.74 1jfj s VAL 86 Cb -0.09 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1jfj s VAL 86 CO 0.09 -0.85 0.00 -0.90 0.00 0.00 0.00 175.10 173.44 1jfj n ASP 87 N 4.73 0.00 0.00 3.32 5.68 -1.26 -5.05 116.55 123.97 1jfj n ASP 87 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1jfj n ASP 87 Cb 0.41 0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 -1.06 0.64 1.13 6.12 0.00 -1.26 -5.08 105.19 105.69 1jfj n GLY 88 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.17 0.00 1.61 8.00 -1.26 -5.03 116.55 120.04 1jfj n ASP 89 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1jfj n ASP 89 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 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 2.89 0.73 3.36 0.44 0.00 -1.26 -5.04 105.19 106.32 1jfj n GLY 90 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1jfj n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfj s LYS 91 N -0.55 1.34 0.34 1.61 3.01 -1.26 -2.78 119.74 121.46 1jfj s LYS 91 Ca 0.00 -1.36 0.05 0.00 -1.01 0.00 0.00 55.97 53.64 1jfj s LYS 91 Cb 0.00 -1.67 -0.07 0.00 -1.01 0.00 0.00 37.83 35.09 1jfj s LYS 91 CO 0.00 0.38 0.04 -0.51 0.51 0.00 0.00 175.35 175.76 1jfj s LEU 92 N -2.29 2.37 0.34 3.17 2.01 0.89 -4.98 118.68 120.18 1jfj s LEU 92 Ca 0.14 -1.36 0.04 0.00 0.01 0.00 0.00 54.13 52.96 1jfj s LEU 92 Cb -0.09 -0.52 -0.04 0.00 0.01 0.00 0.00 46.19 45.56 1jfj s LEU 92 CO 0.07 -0.55 0.15 0.42 1.01 0.00 0.00 176.35 177.45 1jfj s THR 93 N -3.14 0.45 0.12 5.49 -4.23 -1.26 0.30 115.64 113.38 1jfj s THR 93 Ca 0.36 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.78 1jfj s THR 93 Cb 0.09 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.28 1jfj s THR 93 CO 0.16 0.00 1.32 0.50 -0.54 0.00 0.00 174.62 176.06 1jfj h LYS 94 N 2.08 0.62 -0.02 3.99 3.11 -1.94 0.20 116.57 124.61 1jfj h LYS 94 Ca -0.34 -0.55 -0.21 0.00 -2.81 0.00 0.00 60.65 56.73 1jfj h LYS 94 Cb 1.25 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.61 1jfj h LYS 94 CO 0.54 1.17 -0.88 1.05 -2.81 0.00 0.00 179.45 178.52 1jfj h GLU 95 N 0.41 0.40 -0.19 1.90 -0.00 -1.97 0.59 114.58 115.72 1jfj h GLU 95 Ca -0.06 -0.40 -0.18 0.00 -0.00 0.00 0.00 59.36 58.71 1jfj h GLU 95 Cb 1.45 0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 30.31 1jfj h GLU 95 CO 0.16 1.07 -0.62 1.49 -0.00 0.00 0.00 179.01 181.10 1jfj h GLU 96 N 0.24 0.66 0.16 1.06 4.81 -1.94 0.81 114.58 120.38 1jfj h GLU 96 Ca -0.06 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1jfj h GLU 96 Cb 1.50 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1jfj h GLU 96 CO 0.15 1.08 -0.08 0.28 -0.73 0.00 0.00 179.01 179.71 1jfj h VAL 97 N 0.49 0.82 -0.46 0.32 2.07 -0.95 -1.43 116.25 117.10 1jfj h VAL 97 Ca -0.01 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1jfj h VAL 97 Cb 1.20 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 1jfj h VAL 97 CO 0.12 0.22 0.31 0.00 0.02 0.00 0.00 177.57 178.24 1jfj h THR 98 N -0.88 1.00 0.57 2.57 1.03 -0.95 0.10 112.91 116.36 1jfj h THR 98 Ca -0.02 -0.15 -0.03 0.00 -0.01 0.00 0.00 66.41 66.20 1jfj h THR 98 Cb 0.52 0.52 0.01 0.00 -1.07 0.00 0.00 68.15 68.13 1jfj h THR 98 CO 0.04 0.08 -0.28 -1.28 -0.01 0.00 0.00 175.52 174.07 1jfj h SER 99 N 0.44 -0.65 -0.70 0.00 0.87 -0.84 0.33 113.55 112.99 1jfj h SER 99 Ca 0.20 -0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.84 1jfj h SER 99 Cb 0.23 0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 62.28 1jfj h SER 99 CO -0.05 -0.26 0.32 -0.26 -0.53 0.00 0.00 176.83 176.05 1jfj h PHE 100 N -1.14 0.57 -0.00 2.24 -1.00 -0.92 0.21 116.94 116.90 1jfj h PHE 100 Ca -0.08 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.63 1jfj h PHE 100 Cb 0.63 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 1jfj h PHE 100 CO 0.01 0.17 -0.49 0.74 -1.61 0.00 0.00 178.31 177.13 1jfj h PHE 101 N 0.54 0.01 -1.92 -0.55 -1.00 -0.81 -2.98 116.94 110.23 1jfj h PHE 101 Ca 0.36 -0.00 0.56 0.00 2.81 0.00 0.00 57.97 61.69 1jfj h PHE 101 Cb 0.43 -0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.91 1jfj h PHE 101 CO -0.13 0.49 1.38 -0.22 -1.61 0.00 0.00 178.31 178.22 1jfj h LYS 102 N 0.00 0.00 -1.53 1.51 3.64 0.18 0.94 116.57 121.32 1jfj h LYS 102 Ca -0.00 -0.00 0.48 0.00 -1.27 0.00 0.00 60.65 59.86 1jfj h LYS 102 Cb 0.87 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.58 1jfj h LYS 102 CO 0.06 0.00 1.04 0.87 -2.27 0.00 0.00 179.45 179.15 1jfj h LYS 103 N 0.00 0.04 0.00 1.90 1.57 -1.60 0.24 116.57 118.72 1jfj h LYS 103 Ca 0.92 -0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 59.33 1jfj h LYS 103 Cb 3.67 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 35.90 1jfj h LYS 103 CO -0.02 0.02 -2.39 0.72 -0.57 0.00 0.00 179.45 177.22 1jfj n HIS 104 N -4.43 0.00 -0.23 -1.35 8.25 0.32 -5.02 115.22 112.76 1jfj n HIS 104 Ca 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1jfj n HIS 104 Cb 1.63 -0.94 0.00 0.00 1.12 0.00 0.00 29.99 31.80 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 2.31 0.86 2.87 -1.41 0.00 0.84 -4.97 105.19 105.69 1jfj n GLY 105 Ca -0.43 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.23 2.10 -0.68 -0.61 -0.00 -1.26 -4.64 119.36 112.03 1jfj n ILE 106 Ca 0.00 -1.53 0.52 0.00 -0.00 0.00 0.00 62.75 61.74 1jfj n ILE 106 Cb 0.00 -2.23 0.80 0.00 -0.00 0.00 0.00 39.64 38.21 1jfj n ILE 106 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1jfj n GLU 107 N 5.70 0.00 -0.24 6.28 2.13 -1.26 0.10 120.64 133.35 1jfj n GLU 107 Ca 0.47 1.08 0.03 0.00 0.66 0.00 0.00 57.16 59.39 1jfj n GLU 107 Cb 0.27 -2.50 0.12 0.00 0.27 0.00 0.00 31.44 29.60 1jfj n GLU 107 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1jfj h LYS 108 N 0.00 0.06 -0.92 5.31 1.63 -2.01 1.45 116.57 122.09 1jfj h LYS 108 Ca 0.91 -0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.95 1jfj h LYS 108 Cb 3.73 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 35.30 1jfj h LYS 108 CO -0.01 0.04 0.63 -0.24 -3.45 0.00 0.00 179.45 176.42 1jfj h VAL 109 N 0.06 0.60 -0.35 2.00 3.04 0.26 0.47 116.25 122.33 1jfj h VAL 109 Ca 0.37 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.98 1jfj h VAL 109 Cb 0.61 0.37 -0.02 0.00 -2.01 0.00 0.00 31.29 30.25 1jfj h VAL 109 CO -0.67 0.04 0.18 0.00 -1.01 0.00 0.00 177.57 176.11 1jfj h ALA 110 N 1.58 0.44 -0.32 3.17 0.00 0.19 0.18 119.26 124.51 1jfj h ALA 110 Ca 0.46 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 1jfj h ALA 110 Cb 1.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1jfj h ALA 110 CO -0.11 -0.02 -0.10 1.49 0.00 0.00 0.00 179.25 180.51 1jfj h GLU 111 N 0.43 0.63 -0.56 0.00 4.81 0.11 -1.28 114.58 118.72 1jfj h GLU 111 Ca 0.12 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1jfj h GLU 111 Cb 0.08 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1jfj h GLU 111 CO -0.02 0.82 0.37 1.96 -0.73 0.00 0.00 179.01 181.42 1jfj h GLN 112 N 0.40 0.70 0.01 1.92 1.08 -0.54 -0.83 115.11 117.84 1jfj h GLN 112 Ca 0.08 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1jfj h GLN 112 Cb 0.60 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1jfj h GLN 112 CO 0.04 0.46 -0.01 0.28 -0.95 0.00 0.00 178.83 178.65 1jfj h VAL 113 N 0.72 1.35 -0.94 -0.54 2.07 -0.42 0.11 116.25 118.61 1jfj h VAL 113 Ca 0.22 -1.11 0.15 0.00 0.82 0.00 0.00 66.70 66.78 1jfj h VAL 113 Cb -0.01 2.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.76 1jfj h VAL 113 CO -0.05 0.29 0.54 0.24 0.02 0.00 0.00 177.57 178.61 1jfj h MET 114 N -0.50 0.74 -0.01 1.57 2.86 -0.69 0.55 114.93 119.46 1jfj h MET 114 Ca -0.00 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1jfj h MET 114 Cb 0.48 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1jfj h MET 114 CO 0.00 0.49 -0.81 0.87 1.06 0.00 0.00 176.91 178.52 1jfj h LYS 115 N 0.77 0.17 0.24 1.72 1.79 -1.11 -3.01 116.57 117.13 1jfj h LYS 115 Ca 0.51 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1jfj h LYS 115 Cb 0.68 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1jfj h LYS 115 CO -0.34 0.89 -0.12 0.00 -1.08 0.00 0.00 179.45 178.80 1jfj h ALA 116 N 1.05 -0.32 -0.33 3.86 0.00 0.21 -3.16 119.26 120.56 1jfj h ALA 116 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1jfj h ALA 116 Cb 1.41 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 19.25 1jfj h ALA 116 CO 0.12 -0.56 -0.47 0.22 0.00 0.00 0.00 179.25 178.56 1jfj h ASP 117 N -0.57 -1.53 0.00 0.00 3.58 -0.10 -3.43 116.42 114.37 1jfj h ASP 117 Ca -0.03 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1jfj h ASP 117 Cb 0.41 0.64 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1jfj h ASP 117 CO 0.05 -0.40 0.00 0.00 -2.88 0.00 0.00 179.24 176.01 1jfj n ALA 118 N -3.04 0.00 -0.32 -0.78 0.00 -1.14 -4.32 120.51 110.90 1jfj n ALA 118 Ca -0.02 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.62 1jfj n ALA 118 Cb 0.36 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.22 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 0.32 -2.44 0.00 -0.26 -1.90 -3.46 115.58 107.84 1jfj h ASN 119 Ca 0.00 0.20 0.00 0.00 -0.56 0.00 0.00 56.30 55.94 1jfj h ASN 119 Cb 0.00 0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1jfj h ASN 119 CO 0.00 -0.16 0.00 0.61 -1.06 0.00 0.00 177.43 176.82 1jfj n GLY 120 N -1.32 -0.11 1.47 2.83 0.00 -1.26 -5.04 105.19 101.75 1jfj n GLY 120 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1jfj n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 121 N -0.79 0.03 0.00 1.61 5.68 -1.26 -5.07 116.55 116.76 1jfj n ASP 121 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jfj n ASP 121 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 122 N 1.55 0.99 3.65 6.12 0.00 -1.26 -5.05 105.19 111.19 1jfj n GLY 122 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1jfj n GLY 122 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jfj s TYR 123 N -1.97 -1.33 0.34 1.61 6.14 -1.26 -3.26 117.35 117.62 1jfj s TYR 123 Ca 0.00 2.32 0.10 0.00 0.64 0.00 0.00 57.07 60.12 1jfj s TYR 123 Cb 0.00 0.80 -0.06 0.00 0.42 0.00 0.00 41.96 43.12 1jfj s TYR 123 CO 0.00 -0.66 -0.11 -1.50 0.64 0.00 0.00 175.55 173.92 1jfj s ILE 124 N 2.86 2.27 0.19 3.14 2.07 0.15 -4.97 121.20 126.91 1jfj s ILE 124 Ca -0.06 -2.23 0.00 0.00 -1.41 0.00 0.00 60.65 56.95 1jfj s ILE 124 Cb -0.12 -2.61 -0.00 0.00 0.13 0.00 0.00 42.46 39.86 1jfj s ILE 124 CO -0.19 -0.23 0.01 0.35 -1.91 0.00 0.00 174.94 172.98 1jfj n THR 125 N -0.77 0.00 0.07 4.00 -2.24 -1.26 -0.08 114.28 114.00 1jfj n THR 125 Ca -0.05 -0.96 -0.04 0.00 -2.27 0.00 0.00 64.05 60.72 1jfj n THR 125 Cb 0.63 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 1jfj n THR 125 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jfj h LEU 126 N 0.00 -0.24 -1.03 3.22 5.85 -1.91 -2.40 115.31 118.79 1jfj h LEU 126 Ca -0.16 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.73 1jfj h LEU 126 Cb 0.51 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 1jfj h LEU 126 CO 0.26 0.21 0.62 1.05 -0.34 0.00 0.00 178.44 180.25 1jfj h GLU 127 N -1.07 0.84 -0.04 1.25 4.11 -1.98 0.44 114.58 118.14 1jfj h GLU 127 Ca -0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 1jfj h GLU 127 Cb 0.22 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1jfj h GLU 127 CO 0.05 0.56 -0.24 1.49 0.07 0.00 0.00 179.01 180.93 1jfj h GLU 128 N 0.87 0.07 -0.08 1.06 4.81 -1.98 -1.22 114.58 118.10 1jfj h GLU 128 Ca 0.54 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.52 1jfj h GLU 128 Cb 0.71 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.09 1jfj h GLU 128 CO -0.32 0.31 -0.86 0.35 -0.73 0.00 0.00 179.01 177.76 1jfj h PHE 129 N 0.06 0.93 0.35 0.92 3.04 0.33 0.08 116.94 122.66 1jfj h PHE 129 Ca 0.01 -0.45 -0.02 0.00 3.98 0.00 0.00 57.97 61.49 1jfj h PHE 129 Cb 0.47 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1jfj h PHE 129 CO 0.00 1.27 -0.17 1.25 -2.02 0.00 0.00 178.31 178.65 1jfj h LEU 130 N 0.43 -0.40 -1.02 0.59 5.85 -0.63 -2.57 115.31 117.56 1jfj h LEU 130 Ca -0.07 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1jfj h LEU 130 Cb 1.49 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 1jfj h LEU 130 CO 0.17 -0.08 0.39 -0.33 -0.34 0.00 0.00 178.44 178.24 1jfj h GLU 131 N -0.73 1.08 -0.95 1.25 3.07 -1.32 -2.12 114.58 114.87 1jfj h GLU 131 Ca -0.05 -0.14 0.17 0.00 -0.50 0.00 0.00 59.36 58.84 1jfj h GLU 131 Cb 0.50 -0.21 -0.08 0.00 -0.84 0.00 0.00 28.75 28.12 1jfj h GLU 131 CO 0.08 0.81 0.60 0.35 -1.40 0.00 0.00 179.01 179.45 1jfj h PHE 132 N 1.08 0.88 -0.92 4.33 3.57 -0.86 0.24 116.94 125.26 1jfj h PHE 132 Ca 0.27 0.03 0.24 0.00 3.53 0.00 0.00 57.97 62.04 1jfj h PHE 132 Cb 0.07 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1jfj h PHE 132 CO 0.01 0.27 0.64 1.03 -2.23 0.00 0.00 178.31 178.02 1jfj h SER 133 N 0.69 0.19 0.00 0.41 0.87 -0.96 -3.51 113.55 111.25 1jfj h SER 133 Ca 0.50 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 1jfj h SER 133 Cb 0.84 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1jfj h SER 133 CO -0.26 0.07 0.00 -0.11 -0.53 0.00 0.00 176.83 176.00