#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 3.16 0.69 3.04 0.00 -2.02 1.23 119.26 125.36 1jfj h ALA 2 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jfj h ALA 2 Cb 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1jfj h ALA 2 CO 0.00 -1.80 -0.51 0.93 0.00 0.00 0.00 179.25 177.87 1jfj h GLU 3 N 0.01 -1.10 0.03 0.00 4.39 -1.99 0.11 114.58 116.03 1jfj h GLU 3 Ca 0.89 0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.66 1jfj h GLU 3 Cb 3.10 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 32.00 1jfj h GLU 3 CO -0.31 -0.73 -0.02 0.00 -1.16 0.00 0.00 179.01 176.79 1jfj h ALA 4 N -1.06 -0.04 -0.99 3.43 0.00 -0.34 -3.28 119.26 116.97 1jfj h ALA 4 Ca -0.09 -0.34 0.10 0.00 0.00 0.00 0.00 54.91 54.59 1jfj h ALA 4 Cb 0.94 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 1jfj h ALA 4 CO 0.04 -0.15 -0.55 -0.07 0.00 0.00 0.00 179.25 178.52 1jfj h LEU 5 N -0.79 -2.01 -1.13 0.00 -0.00 0.11 1.54 115.31 113.03 1jfj h LEU 5 Ca -0.00 0.33 0.35 0.00 -0.00 0.00 0.00 57.88 58.55 1jfj h LEU 5 Cb 0.69 0.92 -0.14 0.00 -0.00 0.00 0.00 40.66 42.12 1jfj h LEU 5 CO 0.01 -0.24 0.64 0.15 -0.00 0.00 0.00 178.44 178.99 1jfj h PHE 6 N -0.00 0.81 -0.09 1.13 3.04 -0.88 0.78 116.94 121.72 1jfj h PHE 6 Ca 0.20 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 62.04 1jfj h PHE 6 Cb 0.45 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 38.76 1jfj h PHE 6 CO -1.00 -0.18 -0.49 -0.22 -2.02 0.00 0.00 178.31 174.40 1jfj h LYS 7 N 0.25 0.50 -0.19 1.11 3.11 0.19 -2.87 116.57 118.67 1jfj h LYS 7 Ca 0.75 -0.41 0.05 0.00 -2.81 0.00 0.00 60.65 58.23 1jfj h LYS 7 Cb 1.90 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 33.15 1jfj h LYS 7 CO -0.55 1.04 -0.31 1.49 -2.81 0.00 0.00 179.45 178.31 1jfj h GLU 8 N 0.08 -0.34 -0.25 1.90 4.81 0.43 0.35 114.58 121.57 1jfj h GLU 8 Ca -0.03 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1jfj h GLU 8 Cb 1.14 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1jfj h GLU 8 CO 0.10 -0.22 0.19 0.97 -0.73 0.00 0.00 179.01 179.31 1jfj h ILE 9 N -0.35 0.80 -0.34 2.32 -0.00 -1.06 -2.09 117.51 116.79 1jfj h ILE 9 Ca 0.11 0.00 -0.28 0.00 -0.00 0.00 0.00 64.86 64.69 1jfj h ILE 9 Cb 0.53 0.87 -0.10 0.00 -0.00 0.00 0.00 36.82 38.12 1jfj h ILE 9 CO -0.39 0.00 -0.13 -0.67 -0.00 0.00 0.00 178.15 176.96 1jfj n ASP 10 N -4.35 5.64 -0.30 2.19 2.03 0.12 -4.67 116.55 117.22 1jfj n ASP 10 Ca 0.03 -2.71 -0.10 0.00 0.52 0.00 0.00 54.79 52.53 1jfj n ASP 10 Cb 0.34 -1.35 -0.08 0.00 -0.72 0.00 0.00 41.12 39.30 1jfj n ASP 10 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1jfj h VAL 11 N 1.96 0.00 -0.77 5.18 -1.51 -1.42 0.75 116.25 120.44 1jfj h VAL 11 Ca 0.25 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.92 1jfj h VAL 11 Cb 1.25 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 30.27 1jfj h VAL 11 CO 0.43 0.00 -0.04 -0.46 -1.23 0.00 0.00 177.57 176.28 1jfj n ASN 12 N -4.88 -0.14 -0.56 4.19 0.23 -1.26 -4.85 115.26 107.99 1jfj n ASN 12 Ca 0.01 1.31 0.00 0.00 -0.53 0.00 0.00 54.58 55.37 1jfj n ASN 12 Cb 0.23 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1jfj n ASN 12 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 13 N -1.41 -0.99 1.08 4.83 0.00 0.26 -5.08 105.19 103.87 1jfj n GLY 13 Ca 0.17 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1jfj n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfj n ASP 14 N 0.00 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 119.85 1jfj n ASP 14 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1jfj n ASP 14 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfj n GLY 15 N -0.60 1.86 3.29 0.44 0.00 -1.26 -5.12 105.19 103.80 1jfj n GLY 15 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 -0.38 0.24 4.61 0.00 -1.26 -4.03 121.76 118.94 1jfj s ALA 16 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 51.96 51.55 1jfj s ALA 16 Cb 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.74 1jfj s ALA 16 CO 0.00 -0.60 -0.21 0.08 0.00 0.00 0.00 175.76 175.03 1jfj s VAL 17 N -3.88 2.49 0.25 0.00 1.01 0.17 -4.85 120.40 115.60 1jfj s VAL 17 Ca 0.08 -2.20 0.08 0.00 0.00 0.00 0.00 61.98 59.94 1jfj s VAL 17 Cb 0.03 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1jfj s VAL 17 CO -0.08 -0.26 -0.11 -0.94 0.00 0.00 0.00 175.10 173.72 1jfj s SER 18 N -3.12 2.81 0.45 3.32 1.04 -1.26 0.12 113.70 117.06 1jfj s SER 18 Ca 0.26 -1.11 0.23 0.00 0.48 0.00 0.00 55.95 55.80 1jfj s SER 18 Cb -0.06 -0.18 1.22 0.00 0.10 0.00 0.00 66.02 67.10 1jfj s SER 18 CO 0.13 -0.23 1.84 0.10 0.98 0.00 0.00 173.24 176.06 1jfj h TYR 19 N 2.37 0.39 -0.01 5.02 -0.00 -1.90 1.75 116.97 124.59 1jfj h TYR 19 Ca -0.39 0.01 -0.08 0.00 0.00 0.00 0.00 58.73 58.27 1jfj h TYR 19 Cb 1.23 -0.12 0.01 0.00 0.00 0.00 0.00 36.73 37.85 1jfj h TYR 19 CO 0.71 0.08 -0.31 1.49 -0.00 0.00 0.00 178.16 180.13 1jfj h GLU 20 N 0.27 0.23 -0.14 0.10 4.81 -1.95 -1.15 114.58 116.75 1jfj h GLU 20 Ca 0.49 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1jfj h GLU 20 Cb 1.45 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1jfj h GLU 20 CO -0.15 0.94 -0.38 0.93 -0.73 0.00 0.00 179.01 179.63 1jfj h GLU 21 N -0.39 0.30 -0.29 1.92 5.08 -1.37 0.52 114.58 120.35 1jfj h GLU 21 Ca -0.04 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 1jfj h GLU 21 Cb 1.04 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1jfj h GLU 21 CO 0.06 0.64 -0.39 -0.24 -1.00 0.00 0.00 179.01 178.08 1jfj h VAL 22 N 0.26 1.29 0.00 3.13 3.04 0.25 0.23 116.25 124.45 1jfj h VAL 22 Ca 0.03 -1.58 -0.10 0.00 -1.01 0.00 0.00 66.70 64.04 1jfj h VAL 22 Cb 0.79 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1jfj h VAL 22 CO 0.06 0.51 -0.49 0.07 -1.01 0.00 0.00 177.57 176.71 1jfj h LYS 23 N 0.53 0.00 -0.02 4.17 5.09 -0.98 -1.49 116.57 123.87 1jfj h LYS 23 Ca 0.03 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.52 1jfj h LYS 23 Cb 0.98 0.00 0.02 0.00 0.10 0.00 0.00 32.23 33.33 1jfj h LYS 23 CO 0.09 0.49 -0.97 0.00 -2.09 0.00 0.00 179.45 176.98 1jfj h ALA 24 N 1.51 0.14 0.22 0.07 0.00 -0.67 -0.87 119.26 119.65 1jfj h ALA 24 Ca -0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1jfj h ALA 24 Cb 0.88 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jfj h ALA 24 CO 0.06 0.65 -0.10 0.35 0.00 0.00 0.00 179.25 180.21 1jfj h PHE 25 N 0.37 -0.27 -0.37 0.00 3.04 -0.32 -0.02 116.94 119.37 1jfj h PHE 25 Ca -0.12 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.80 1jfj h PHE 25 Cb 1.63 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 40.21 1jfj h PHE 25 CO 0.11 -0.10 0.14 -0.24 -2.02 0.00 0.00 178.31 176.20 1jfj h VAL 26 N -0.38 1.20 -0.55 1.41 3.04 -1.36 -2.77 116.25 116.83 1jfj h VAL 26 Ca -0.03 -0.62 0.10 0.00 -1.01 0.00 0.00 66.70 65.14 1jfj h VAL 26 Cb 0.29 0.91 -0.08 0.00 -2.01 0.00 0.00 31.29 30.40 1jfj h VAL 26 CO 0.05 0.22 0.07 -1.28 -1.01 0.00 0.00 177.57 175.62 1jfj h SER 27 N 0.45 -0.09 -1.79 3.17 0.87 -1.02 0.25 113.55 115.40 1jfj h SER 27 Ca 0.12 0.11 0.54 0.00 -1.23 0.00 0.00 61.79 61.33 1jfj h SER 27 Cb 0.21 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.25 1jfj h SER 27 CO -0.01 -0.03 1.26 0.11 -0.53 0.00 0.00 176.83 177.63 1jfj h LYS 28 N 0.19 0.01 0.00 2.24 1.57 -0.69 -0.69 116.57 119.20 1jfj h LYS 28 Ca 0.28 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1jfj h LYS 28 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1jfj h LYS 28 CO -0.40 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.65 1jfj n LYS 29 N -4.17 0.00 -1.66 3.15 3.00 0.87 -5.03 118.16 114.32 1jfj n LYS 29 Ca 0.43 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 1jfj n LYS 29 Cb 1.86 -0.94 0.00 0.00 0.00 0.00 0.00 35.03 35.96 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1jfj n ARG 30 N -1.45 1.13 -2.72 1.64 5.12 -0.27 -5.09 116.66 115.02 1jfj n ARG 30 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1jfj n ARG 30 Cb 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.35 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj n ALA 31 N -3.00 2.65 -2.11 7.54 0.00 -1.26 -4.16 120.51 120.17 1jfj n ALA 31 Ca 0.00 -2.70 -0.38 0.00 0.00 0.00 0.00 53.44 50.36 1jfj n ALA 31 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1jfj n ALA 31 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1jfj n ILE 32 N -0.13 4.97 -2.86 0.00 0.13 -1.26 -4.62 119.36 115.58 1jfj n ILE 32 Ca 0.08 -4.64 -0.16 0.00 -1.10 0.00 0.00 62.75 56.93 1jfj n ILE 32 Cb 0.81 -1.70 0.03 0.00 -0.84 0.00 0.00 39.64 37.94 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1jfj n LYS 33 N 0.66 -3.77 0.25 9.51 4.76 -1.26 -4.88 118.16 123.44 1jfj n LYS 33 Ca 0.54 0.62 0.08 0.00 -2.87 0.00 0.00 58.31 56.68 1jfj n LYS 33 Cb 0.30 -4.90 0.60 0.00 -1.84 0.00 0.00 35.03 29.19 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 -1.37 0.00 0.00 177.40 173.08 1jfj h ASN 34 N -1.12 0.00 0.24 4.39 7.08 -1.90 0.16 115.58 124.43 1jfj h ASN 34 Ca -0.37 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.85 1jfj h ASN 34 Cb 1.25 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.45 1jfj h ASN 34 CO 0.39 0.09 -0.53 -0.33 -2.08 0.00 0.00 177.43 174.97 1jfj h GLU 35 N 0.00 -0.81 0.29 4.14 5.08 -1.89 0.46 114.58 121.85 1jfj h GLU 35 Ca -0.00 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1jfj h GLU 35 Cb 0.16 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1jfj h GLU 35 CO 0.01 -0.54 -0.14 0.37 -1.00 0.00 0.00 179.01 177.71 1jfj h GLN 36 N -0.84 -0.38 -0.96 2.33 5.75 -1.90 -1.07 115.11 118.04 1jfj h GLN 36 Ca -0.02 0.03 0.28 0.00 -0.15 0.00 0.00 58.65 58.78 1jfj h GLN 36 Cb 0.80 0.09 -0.18 0.00 1.07 0.00 0.00 27.48 29.26 1jfj h GLN 36 CO -0.22 -0.18 0.06 -0.11 -2.65 0.00 0.00 178.83 175.73 1jfj n LEU 37 N -5.04 -0.08 0.23 -2.39 0.00 0.02 0.23 117.00 109.97 1jfj n LEU 37 Ca -0.06 1.63 -0.13 0.00 0.00 0.00 0.00 56.01 57.45 1jfj n LEU 37 Cb 0.19 -0.61 -0.07 0.00 0.00 0.00 0.00 43.42 42.93 1jfj n LEU 37 CO 0.16 -1.67 0.42 0.25 0.00 0.00 0.00 177.39 176.55 1jfj h LEU 38 N 0.00 -0.53 -0.99 -1.96 7.12 -0.13 -0.79 115.31 118.03 1jfj h LEU 38 Ca 0.60 -0.08 0.14 0.00 0.13 0.00 0.00 57.88 58.68 1jfj h LEU 38 Cb 1.28 0.14 -0.15 0.00 -0.53 0.00 0.00 40.66 41.39 1jfj h LEU 38 CO -0.89 -0.14 -0.41 1.67 -0.13 0.00 0.00 178.44 178.53 1jfj n GLN 39 N -5.23 -0.26 0.49 1.25 0.00 0.13 0.33 117.38 114.11 1jfj n GLN 39 Ca -0.10 1.52 -0.20 0.00 -0.00 0.00 0.00 57.00 58.22 1jfj n GLN 39 Cb 0.30 -2.25 -0.10 0.00 0.00 0.00 0.00 30.24 28.19 1jfj n GLN 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1jfj h LEU 40 N 0.00 -1.11 -0.93 1.69 6.46 -0.58 -1.04 115.31 119.81 1jfj h LEU 40 Ca 0.32 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.20 1jfj h LEU 40 Cb 0.56 0.29 -0.11 0.00 -0.73 0.00 0.00 40.66 40.68 1jfj h LEU 40 CO -0.97 -0.77 -0.55 -0.38 -0.62 0.00 0.00 178.44 175.15 1jfj n ILE 41 N -5.64 -0.63 -0.01 4.05 2.08 0.14 -0.23 119.36 119.12 1jfj n ILE 41 Ca -0.16 2.34 -0.14 0.00 0.56 0.00 0.00 62.75 65.34 1jfj n ILE 41 Cb 0.51 -2.90 -0.09 0.00 -0.75 0.00 0.00 39.64 36.41 1jfj n ILE 41 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1jfj h PHE 42 N 0.00 -1.53 -1.36 1.39 3.57 -0.01 0.52 116.94 119.53 1jfj h PHE 42 Ca 0.15 0.06 0.39 0.00 3.53 0.00 0.00 57.97 62.10 1jfj h PHE 42 Cb 0.38 0.68 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1jfj h PHE 42 CO -1.01 -0.51 0.97 1.57 -2.23 0.00 0.00 178.31 177.10 1jfj h LYS 43 N -0.55 0.01 0.00 1.11 5.09 0.38 1.85 116.57 124.46 1jfj h LYS 43 Ca 0.03 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.77 1jfj h LYS 43 Cb 0.64 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.97 1jfj h LYS 43 CO -0.41 0.01 -0.00 1.03 -2.09 0.00 0.00 179.45 177.98 1jfj h SER 44 N 0.01 -0.00 0.51 7.07 0.87 0.31 -3.38 113.55 118.94 1jfj h SER 44 Ca 0.65 -0.77 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 1jfj h SER 44 Cb 2.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.54 1jfj h SER 44 CO -0.02 0.77 -0.24 0.40 -0.53 0.00 0.00 176.83 177.21 1jfj h ILE 45 N -0.79 0.00 -1.22 2.23 1.08 0.36 -3.38 117.51 115.79 1jfj h ILE 45 Ca -0.00 -0.44 -0.43 0.00 -0.39 0.00 0.00 64.86 63.60 1jfj h ILE 45 Cb 0.77 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.46 1jfj h ILE 45 CO 0.00 0.00 1.08 -0.62 -0.69 0.00 0.00 178.15 177.92 1jfj s ASP 46 N -4.57 5.61 0.00 1.72 -1.08 0.57 -4.64 116.67 114.29 1jfj s ASP 46 Ca -0.10 -0.66 0.13 0.00 -0.52 0.00 0.00 52.55 51.40 1jfj s ASP 46 Cb 0.01 -2.56 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 1jfj s ASP 46 CO 0.30 -2.27 0.80 0.00 0.52 0.00 0.00 175.17 174.52 1jfj n ALA 47 N 11.99 2.76 0.95 3.66 0.00 -1.26 -4.27 120.51 134.35 1jfj n ALA 47 Ca 0.31 -0.53 0.13 0.00 0.00 0.00 0.00 53.44 53.35 1jfj n ALA 47 Cb 0.49 -0.44 0.36 0.00 0.00 0.00 0.00 19.45 19.87 1jfj n ALA 47 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1jfj n ASP 48 N 0.20 0.37 -2.25 0.00 5.68 -1.26 -4.95 116.55 114.33 1jfj n ASP 48 Ca 0.06 0.04 -0.08 0.00 -0.50 0.00 0.00 54.79 54.31 1jfj n ASP 48 Cb 0.29 -0.02 0.04 0.00 -1.14 0.00 0.00 41.12 40.29 1jfj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 49 N 1.48 0.00 0.12 6.12 0.00 -1.26 -4.97 105.19 106.68 1jfj n GLY 49 Ca 0.06 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1jfj n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jfj n ASN 50 N -2.13 1.59 0.00 1.61 4.05 -1.26 -4.98 115.26 114.14 1jfj n ASN 50 Ca -0.12 -0.01 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1jfj n ASN 50 Cb 0.58 -0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1jfj n GLY 51 N 2.08 3.09 1.51 8.20 0.00 -1.26 -4.95 105.19 113.85 1jfj n GLY 51 Ca -0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1jfj n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jfj n GLU 52 N -1.59 0.90 -3.96 1.61 1.02 -1.26 -2.73 120.64 114.64 1jfj n GLU 52 Ca 0.00 -1.55 -0.12 0.00 -0.02 0.00 0.00 57.16 55.46 1jfj n GLU 52 Cb 0.00 0.76 -0.01 0.00 -0.02 0.00 0.00 31.44 32.18 1jfj n GLU 52 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1jfj s ILE 53 N -2.15 0.00 0.20 -3.67 -4.36 0.33 -4.90 121.20 106.64 1jfj s ILE 53 Ca 0.08 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 1jfj s ILE 53 Cb 0.00 -2.80 -0.00 0.00 1.25 0.00 0.00 42.46 40.91 1jfj s ILE 53 CO 0.05 0.00 0.02 -0.90 0.24 0.00 0.00 174.94 174.35 1jfj n ASP 54 N -1.53 2.11 0.04 4.36 5.68 -1.26 0.45 116.55 126.40 1jfj n ASP 54 Ca -0.03 -1.91 0.03 0.00 -0.50 0.00 0.00 54.79 52.38 1jfj n ASP 54 Cb 0.61 0.23 0.39 0.00 -1.14 0.00 0.00 41.12 41.21 1jfj n ASP 54 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1jfj h GLN 55 N 0.00 0.45 0.63 0.11 3.07 -1.97 0.36 115.11 117.76 1jfj h GLN 55 Ca -0.16 -0.06 -0.03 0.00 0.09 0.00 0.00 58.65 58.49 1jfj h GLN 55 Cb 0.52 -0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.00 1jfj h GLN 55 CO 0.26 0.40 -0.30 -0.91 0.09 0.00 0.00 178.83 178.37 1jfj h ASN 56 N 0.45 -0.71 -0.97 0.06 2.35 -1.95 0.34 115.58 115.15 1jfj h ASN 56 Ca 0.11 0.02 0.18 0.00 -0.55 0.00 0.00 56.30 56.06 1jfj h ASN 56 Cb 0.13 0.18 -0.09 0.00 0.05 0.00 0.00 38.32 38.59 1jfj h ASN 56 CO -0.01 -0.39 0.61 -0.33 -1.65 0.00 0.00 177.43 175.67 1jfj h GLU 57 N -1.09 0.68 -0.25 0.81 5.08 -1.92 -0.09 114.58 117.80 1jfj h GLU 57 Ca -0.09 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1jfj h GLU 57 Cb 0.64 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1jfj h GLU 57 CO 0.14 0.45 -0.10 0.35 -1.00 0.00 0.00 179.01 178.85 1jfj h PHE 58 N 0.70 0.59 -0.78 4.33 3.57 -0.83 0.13 116.94 124.66 1jfj h PHE 58 Ca 0.53 -0.14 0.13 0.00 3.53 0.00 0.00 57.97 62.01 1jfj h PHE 58 Cb 0.89 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 1jfj h PHE 58 CO -0.00 0.76 0.37 0.00 -2.23 0.00 0.00 178.31 177.21 1jfj h ALA 59 N 0.74 1.11 -0.01 2.41 0.00 0.15 0.25 119.26 123.91 1jfj h ALA 59 Ca 0.06 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1jfj h ALA 59 Cb 0.60 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1jfj h ALA 59 CO 0.03 -0.10 -0.75 0.87 0.00 0.00 0.00 179.25 179.30 1jfj h LYS 60 N 0.57 0.12 -0.76 0.00 1.57 -1.15 -3.16 116.57 113.76 1jfj h LYS 60 Ca 0.41 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1jfj h LYS 60 Cb 0.54 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1jfj h LYS 60 CO -0.34 0.82 0.48 0.35 -0.57 0.00 0.00 179.45 180.19 1jfj h PHE 61 N 0.08 0.90 -0.02 -1.35 3.57 0.22 -0.89 116.94 119.44 1jfj h PHE 61 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1jfj h PHE 61 Cb 1.32 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1jfj h PHE 61 CO 0.01 0.51 0.02 -0.92 -2.23 0.00 0.00 178.31 175.71 1jfj h TYR 62 N 0.93 0.00 0.00 0.41 3.20 -0.97 -3.14 116.97 117.40 1jfj h TYR 62 Ca 0.31 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1jfj h TYR 62 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1jfj h TYR 62 CO -0.03 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.90 1jfj n GLY 63 N -1.49 -1.58 2.12 1.82 0.00 -0.34 -4.53 105.19 101.19 1jfj n GLY 63 Ca -0.02 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.30 1jfj n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jfj n SER 64 N -1.51 -0.59 -0.24 1.61 3.41 -1.24 -5.00 113.62 110.06 1jfj n SER 64 Ca 0.00 -1.33 0.21 0.00 -0.26 0.00 0.00 58.87 57.49 1jfj n SER 64 Cb 0.00 0.53 0.54 0.00 -0.26 0.00 0.00 64.21 65.02 1jfj n SER 64 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1jfj h ILE 65 N 0.21 0.64 -3.03 -1.33 -0.00 -1.78 -3.36 117.51 108.87 1jfj h ILE 65 Ca -0.33 -0.12 -0.56 0.00 -0.00 0.00 0.00 64.86 63.85 1jfj h ILE 65 Cb 1.13 0.26 -0.05 0.00 -0.00 0.00 0.00 36.82 38.16 1jfj h ILE 65 CO -0.12 0.06 1.12 -1.10 -0.00 0.00 0.00 178.15 178.12 1jfj s GLN 66 N -5.38 3.43 -0.44 0.16 -0.21 -1.26 -4.90 119.66 111.07 1jfj s GLN 66 Ca -0.08 0.90 0.05 0.00 0.02 0.00 0.00 55.36 56.25 1jfj s GLN 66 Cb 0.23 -4.09 0.17 0.00 1.00 0.00 0.00 33.01 30.32 1jfj s GLN 66 CO 0.78 -1.75 0.48 0.20 -2.12 0.00 0.00 175.29 172.89 1jfj s GLY 67 N 4.59 0.06 -0.27 3.09 0.00 -1.26 -5.11 107.32 108.42 1jfj s GLY 67 Ca 0.63 -1.40 -0.20 0.00 0.00 0.00 0.00 44.72 43.74 1jfj s GLY 67 CO 0.31 2.80 0.69 1.62 0.00 0.00 0.00 173.10 178.52 1jfj s GLN 68 N 0.67 0.76 -0.08 2.90 0.74 -1.26 -5.15 119.66 118.23 1jfj s GLN 68 Ca 0.28 1.08 0.02 0.00 0.05 0.00 0.00 55.36 56.78 1jfj s GLN 68 Cb -0.02 0.28 0.02 0.00 1.10 0.00 0.00 33.01 34.38 1jfj s GLN 68 CO -0.11 -0.12 -0.11 0.16 -0.55 0.00 0.00 175.29 174.56 1jfj s ASP 69 N 0.94 1.91 0.01 6.67 1.47 -1.26 -4.91 116.67 121.50 1jfj s ASP 69 Ca -0.05 -0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.38 1jfj s ASP 69 Cb -0.05 -0.85 0.00 0.00 -0.34 0.00 0.00 42.92 41.68 1jfj s ASP 69 CO -0.08 -0.00 0.00 -0.11 0.68 0.00 0.00 175.17 175.65 1jfj n LEU 70 N 4.09 -0.06 -0.31 2.11 0.00 -1.26 -4.96 117.00 116.62 1jfj n LEU 70 Ca -0.20 0.42 0.14 0.00 0.00 0.00 0.00 56.01 56.37 1jfj n LEU 70 Cb 0.51 0.47 0.33 0.00 0.00 0.00 0.00 43.42 44.72 1jfj n LEU 70 CO 0.23 0.00 1.05 0.77 0.00 0.00 0.00 177.39 179.45 1jfj h SER 71 N 0.00 0.34 -1.58 1.96 4.64 -2.00 0.84 113.55 117.76 1jfj h SER 71 Ca 0.00 0.16 0.46 0.00 -0.47 0.00 0.00 61.79 61.94 1jfj h SER 71 Cb 0.00 0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 1jfj h SER 71 CO 0.00 -0.02 1.17 -0.78 -0.87 0.00 0.00 176.83 176.33 1jfj h ASP 72 N 0.39 0.00 -0.07 4.97 3.58 -1.94 1.84 116.42 125.19 1jfj h ASP 72 Ca 0.58 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 58.00 1jfj h ASP 72 Cb 1.13 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1jfj h ASP 72 CO -0.54 0.00 -0.08 -0.78 -2.88 0.00 0.00 179.24 174.96 1jfj h ASP 73 N 0.00 0.19 0.45 2.28 3.58 0.32 -2.37 116.42 120.87 1jfj h ASP 73 Ca 0.75 -0.50 -0.15 0.00 0.42 0.00 0.00 57.03 57.55 1jfj h ASP 73 Cb 3.07 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 44.05 1jfj h ASP 73 CO -0.01 0.66 -0.65 0.11 -2.88 0.00 0.00 179.24 176.47 1jfj h LYS 74 N -0.26 0.18 0.00 0.28 1.79 0.21 -2.73 116.57 116.04 1jfj h LYS 74 Ca 0.01 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1jfj h LYS 74 Cb 0.61 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1jfj h LYS 74 CO 0.02 0.76 -0.03 0.82 -1.08 0.00 0.00 179.45 179.95 1jfj h ILE 75 N 0.13 0.99 0.52 1.86 2.04 0.18 0.27 117.51 123.49 1jfj h ILE 75 Ca -0.01 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1jfj h ILE 75 Cb 1.16 1.05 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1jfj h ILE 75 CO 0.10 0.03 -0.25 1.23 0.00 0.00 0.00 178.15 179.25 1jfj h GLY 76 N 0.08 -0.73 2.00 5.37 0.00 -1.10 0.21 103.07 108.91 1jfj h GLY 76 Ca -0.00 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1jfj h GLY 76 CO 0.00 -0.26 -0.04 -2.00 0.00 0.00 0.00 176.54 174.24 1jfj h LEU 77 N -1.01 0.00 -0.26 3.11 6.46 -1.49 -0.09 115.31 122.03 1jfj h LEU 77 Ca -0.07 0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.55 1jfj h LEU 77 Cb 0.61 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1jfj h LEU 77 CO 0.12 0.04 -0.39 0.50 -0.62 0.00 0.00 178.44 178.08 1jfj h LYS 78 N 0.00 0.72 -0.70 1.25 1.63 -0.79 0.23 116.57 118.91 1jfj h LYS 78 Ca -0.00 -0.43 -0.05 0.00 -0.85 0.00 0.00 60.65 59.32 1jfj h LYS 78 Cb 0.06 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1jfj h LYS 78 CO 0.00 1.05 0.23 0.28 -3.45 0.00 0.00 179.45 177.56 1jfj h VAL 79 N 0.45 1.25 0.45 2.00 2.07 0.73 0.28 116.25 123.48 1jfj h VAL 79 Ca 0.02 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1jfj h VAL 79 Cb 0.98 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1jfj h VAL 79 CO 0.09 0.34 -0.22 -0.07 0.02 0.00 0.00 177.57 177.73 1jfj h LEU 80 N 1.04 -0.52 -0.56 2.57 4.07 -0.95 0.29 115.31 121.25 1jfj h LEU 80 Ca 0.23 -0.09 0.11 0.00 0.08 0.00 0.00 57.88 58.21 1jfj h LEU 80 Cb 0.28 0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.06 1jfj h LEU 80 CO -0.01 -0.16 -0.01 1.88 -1.08 0.00 0.00 178.44 179.06 1jfj h TYR 81 N -0.92 -0.05 -0.40 1.13 -1.99 -0.83 0.24 116.97 114.15 1jfj h TYR 81 Ca -0.06 0.04 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 1jfj h TYR 81 Cb 0.58 0.11 -0.02 0.00 2.00 0.00 0.00 36.73 39.40 1jfj h TYR 81 CO 0.01 -0.15 -0.08 1.57 -0.00 0.00 0.00 178.16 179.51 1jfj h LYS 82 N 0.11 0.68 -0.50 4.88 5.09 -0.92 -2.01 116.57 123.90 1jfj h LYS 82 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 60.65 60.82 1jfj h LYS 82 Cb 0.45 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.69 1jfj h LYS 82 CO -0.48 0.76 0.29 1.25 -2.09 0.00 0.00 179.45 179.17 1jfj h LEU 83 N 0.63 0.60 0.33 7.07 6.46 0.26 -2.75 115.31 127.91 1jfj h LEU 83 Ca 0.12 -0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1jfj h LEU 83 Cb 0.51 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1jfj h LEU 83 CO 0.03 0.48 -0.16 0.24 -0.62 0.00 0.00 178.44 178.41 1jfj h MET 84 N 0.69 -0.42 -5.38 1.25 2.86 0.01 -3.39 114.93 110.55 1jfj h MET 84 Ca 0.18 0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.68 1jfj h MET 84 Cb -0.00 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1jfj h MET 84 CO -0.03 -0.15 0.66 -3.47 1.06 0.00 0.00 176.91 174.98 1jfj n ASP 85 N -5.18 1.66 -0.03 1.22 2.03 -1.03 -4.67 116.55 110.56 1jfj n ASP 85 Ca -0.10 -1.11 0.13 0.00 0.52 0.00 0.00 54.79 54.24 1jfj n ASP 85 Cb 0.25 -1.54 0.49 0.00 -0.72 0.00 0.00 41.12 39.61 1jfj n ASP 85 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1jfj n VAL 86 N 8.31 0.00 0.14 5.18 3.14 -1.26 -3.32 118.33 130.51 1jfj n VAL 86 Ca 0.46 -0.01 -0.01 0.00 -2.96 0.00 0.00 64.34 61.82 1jfj n VAL 86 Cb 0.43 -0.15 0.21 0.00 -1.06 0.00 0.00 33.84 33.27 1jfj n VAL 86 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1jfj h ASP 87 N 0.13 0.06 -3.26 6.55 5.19 -1.95 -3.48 116.42 119.65 1jfj h ASP 87 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1jfj h ASP 87 Cb 0.47 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1jfj h ASP 87 CO 0.00 0.59 -0.11 0.61 -3.12 0.00 0.00 179.24 177.21 1jfj n GLY 88 N 0.04 -2.49 1.80 2.75 0.00 -1.21 -5.04 105.19 101.04 1jfj n GLY 88 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.04 0.00 0.00 1.61 5.68 -1.26 -5.06 116.55 117.48 1jfj n ASP 89 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1jfj n ASP 89 Cb 0.01 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 90 N -1.25 1.16 3.51 6.12 0.00 -1.26 -5.13 105.19 108.34 1jfj n GLY 90 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.09 1.50 0.09 1.61 -2.85 -1.26 -3.65 119.74 115.08 1jfj s LYS 91 Ca 0.00 -1.34 -0.15 0.00 -1.00 0.00 0.00 55.97 53.48 1jfj s LYS 91 Cb 0.00 0.43 0.03 0.00 -2.06 0.00 0.00 37.83 36.23 1jfj s LYS 91 CO 0.00 -0.60 0.36 -0.51 0.10 0.00 0.00 175.35 174.69 1jfj s LEU 92 N -3.05 0.63 0.43 2.77 1.02 -0.47 -4.78 118.68 115.23 1jfj s LEU 92 Ca 0.26 -0.28 0.05 0.00 0.02 0.00 0.00 54.13 54.18 1jfj s LEU 92 Cb 0.01 1.62 -0.06 0.00 0.02 0.00 0.00 46.19 47.78 1jfj s LEU 92 CO 0.10 -0.76 0.01 0.42 0.02 0.00 0.00 176.35 176.15 1jfj s THR 93 N -3.33 1.73 0.27 5.49 -4.23 -1.26 0.30 115.64 114.60 1jfj s THR 93 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1jfj s THR 93 Cb 0.01 -2.76 0.14 0.00 1.34 0.00 0.00 72.50 71.23 1jfj s THR 93 CO -0.08 0.00 1.80 0.07 -0.54 0.00 0.00 174.62 175.86 1jfj h LYS 94 N 1.67 0.85 -0.11 3.99 5.09 -1.85 0.36 116.57 126.57 1jfj h LYS 94 Ca -0.44 -0.19 -0.15 0.00 0.09 0.00 0.00 60.65 59.96 1jfj h LYS 94 Cb 1.26 -0.12 -0.01 0.00 0.10 0.00 0.00 32.23 33.46 1jfj h LYS 94 CO 0.78 0.79 -0.59 0.93 -2.09 0.00 0.00 179.45 179.27 1jfj h GLU 95 N 0.81 0.37 0.24 0.07 4.39 -1.96 -1.14 114.58 117.36 1jfj h GLU 95 Ca 0.17 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1jfj h GLU 95 Cb 0.35 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1jfj h GLU 95 CO 0.00 0.85 -0.11 1.49 -1.16 0.00 0.00 179.01 180.08 1jfj h GLU 96 N 0.28 -0.31 -0.52 2.33 4.81 -1.80 0.34 114.58 119.70 1jfj h GLU 96 Ca -0.00 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1jfj h GLU 96 Cb 1.11 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 1jfj h GLU 96 CO 0.10 0.03 0.13 -0.24 -0.73 0.00 0.00 179.01 178.31 1jfj h VAL 97 N -0.95 0.74 0.00 0.32 3.04 -0.38 0.16 116.25 119.19 1jfj h VAL 97 Ca -0.03 -0.10 -0.10 0.00 -1.01 0.00 0.00 66.70 65.46 1jfj h VAL 97 Cb 0.48 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.18 1jfj h VAL 97 CO 0.05 0.05 -0.47 0.00 -1.01 0.00 0.00 177.57 176.20 1jfj h THR 98 N 0.28 1.31 -0.08 3.17 1.03 -1.27 0.21 112.91 117.57 1jfj h THR 98 Ca 0.26 -1.62 -0.01 0.00 -0.01 0.00 0.00 66.41 65.03 1jfj h THR 98 Cb 0.34 1.88 -0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1jfj h THR 98 CO -0.32 0.46 0.03 -1.28 -0.01 0.00 0.00 175.52 174.40 1jfj h SER 99 N 0.00 0.11 0.11 0.00 0.87 0.23 0.34 113.55 115.21 1jfj h SER 99 Ca -0.00 -0.18 -0.24 0.00 -1.23 0.00 0.00 61.79 60.13 1jfj h SER 99 Cb 0.84 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1jfj h SER 99 CO 0.06 0.26 -0.95 -0.26 -0.53 0.00 0.00 176.83 175.41 1jfj h PHE 100 N -0.05 0.87 0.00 2.24 0.04 -0.74 -3.17 116.94 116.13 1jfj h PHE 100 Ca 0.03 -0.46 -0.06 0.00 2.80 0.00 0.00 57.97 60.28 1jfj h PHE 100 Cb 0.19 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1jfj h PHE 100 CO -0.01 1.28 -0.31 0.74 -0.60 0.00 0.00 178.31 179.42 1jfj h PHE 101 N 0.35 0.00 -1.02 -0.55 -1.00 -0.52 -2.73 116.94 111.47 1jfj h PHE 101 Ca -0.10 0.00 0.32 0.00 2.81 0.00 0.00 57.97 61.00 1jfj h PHE 101 Cb 1.59 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 41.01 1jfj h PHE 101 CO 0.08 0.31 0.59 -0.22 -1.61 0.00 0.00 178.31 177.46 1jfj h LYS 102 N 0.00 0.34 -1.01 1.51 3.64 -0.29 1.39 116.57 122.14 1jfj h LYS 102 Ca -0.00 -0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.59 1jfj h LYS 102 Cb 0.55 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 32.18 1jfj h LYS 102 CO 0.04 0.22 0.61 0.87 -2.27 0.00 0.00 179.45 178.93 1jfj h LYS 103 N 0.35 0.57 0.70 1.90 1.57 -1.65 -1.26 116.57 118.74 1jfj h LYS 103 Ca 0.72 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.44 1jfj h LYS 103 Cb 1.66 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.85 1jfj h LYS 103 CO -0.57 0.38 -0.34 1.25 -0.57 0.00 0.00 179.45 179.60 1jfj h HIS 104 N 0.59 -0.87 0.00 -1.35 2.76 0.17 -3.48 115.15 112.96 1jfj h HIS 104 Ca 0.62 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.77 1jfj h HIS 104 Cb 1.20 0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.45 1jfj h HIS 104 CO -0.00 -0.54 0.00 0.41 -1.30 0.00 0.00 177.93 176.49 1jfj n GLY 105 N -0.66 2.99 3.53 5.26 0.00 -0.48 -5.03 105.19 110.80 1jfj n GLY 105 Ca -0.12 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 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 0.88 0.18 -0.61 0.13 -1.26 -4.62 119.36 114.05 1jfj n ILE 106 Ca 0.00 -0.89 0.02 0.00 -1.10 0.00 0.00 62.75 60.79 1jfj n ILE 106 Cb 0.00 -2.09 0.36 0.00 -0.84 0.00 0.00 39.64 37.07 1jfj n ILE 106 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 1jfj h GLU 107 N 10.42 0.03 -1.11 9.51 4.11 -1.92 -2.75 114.58 132.88 1jfj h GLU 107 Ca 0.15 -0.01 0.37 0.00 0.07 0.00 0.00 59.36 59.93 1jfj h GLU 107 Cb 0.91 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.02 1jfj h GLU 107 CO 1.29 0.37 0.66 -0.22 0.07 0.00 0.00 179.01 181.19 1jfj h LYS 108 N 0.03 0.20 -1.03 1.06 1.63 -2.01 1.42 116.57 117.87 1jfj h LYS 108 Ca 0.00 -0.01 0.30 0.00 -0.85 0.00 0.00 60.65 60.09 1jfj h LYS 108 Cb 0.62 -0.05 -0.13 0.00 -0.60 0.00 0.00 32.23 32.07 1jfj h LYS 108 CO 0.05 0.13 0.61 -0.24 -3.45 0.00 0.00 179.45 176.55 1jfj h VAL 109 N 0.21 0.38 -0.91 2.00 3.04 -1.88 1.40 116.25 120.50 1jfj h VAL 109 Ca 0.77 -0.13 0.03 0.00 -1.01 0.00 0.00 66.70 66.35 1jfj h VAL 109 Cb 2.03 -0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 31.22 1jfj h VAL 109 CO -0.54 0.07 0.59 0.00 -1.01 0.00 0.00 177.57 176.68 1jfj h ALA 110 N 1.77 1.18 -0.08 3.17 0.00 0.17 0.35 119.26 125.83 1jfj h ALA 110 Ca 0.70 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.45 1jfj h ALA 110 Cb 1.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1jfj h ALA 110 CO -0.52 0.47 -0.45 1.49 0.00 0.00 0.00 179.25 180.25 1jfj h GLU 111 N 1.16 0.18 -0.11 0.00 4.81 0.18 0.29 114.58 121.09 1jfj h GLU 111 Ca 0.35 -0.09 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1jfj h GLU 111 Cb -0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1jfj h GLU 111 CO -0.11 0.60 -0.71 1.96 -0.73 0.00 0.00 179.01 180.03 1jfj h GLN 112 N 0.15 0.50 -0.01 1.92 4.20 0.51 -0.48 115.11 121.90 1jfj h GLN 112 Ca 0.01 -0.39 -0.18 0.00 0.06 0.00 0.00 58.65 58.15 1jfj h GLN 112 Cb 0.86 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 1jfj h GLN 112 CO 0.07 1.02 -0.79 0.28 -0.67 0.00 0.00 178.83 178.74 1jfj h VAL 113 N 0.35 1.49 -0.16 -0.54 2.07 -0.14 -0.07 116.25 119.26 1jfj h VAL 113 Ca -0.03 -2.50 -0.21 0.00 0.82 0.00 0.00 66.70 64.78 1jfj h VAL 113 Cb 1.29 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1jfj h VAL 113 CO 0.13 0.73 -0.75 -0.03 0.02 0.00 0.00 177.57 177.67 1jfj h MET 114 N 0.09 0.74 -0.01 1.57 4.05 -0.84 -2.17 114.93 118.35 1jfj h MET 114 Ca -0.03 -0.59 -0.20 0.00 -0.28 0.00 0.00 59.70 58.61 1jfj h MET 114 Cb 1.39 0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.30 1jfj h MET 114 CO 0.12 1.20 -0.85 -0.22 0.23 0.00 0.00 176.91 177.39 1jfj h LYS 115 N 0.51 0.28 0.32 0.39 3.64 -1.07 -3.26 116.57 117.38 1jfj h LYS 115 Ca -0.04 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1jfj h LYS 115 Cb 1.37 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 1jfj h LYS 115 CO 0.15 0.97 -0.15 0.00 -2.27 0.00 0.00 179.45 178.15 1jfj h ALA 116 N 0.93 -0.43 -0.30 5.00 0.00 -0.97 -3.30 119.26 120.19 1jfj h ALA 116 Ca -0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 54.91 54.33 1jfj h ALA 116 Cb 1.46 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1jfj h ALA 116 CO 0.14 -0.70 1.37 -3.47 0.00 0.00 0.00 179.25 176.58 1jfj n ASP 117 N -5.24 2.75 -2.46 0.00 2.03 -0.82 -4.70 116.55 108.11 1jfj n ASP 117 Ca -0.10 -2.67 -0.29 0.00 0.52 0.00 0.00 54.79 52.25 1jfj n ASP 117 Cb 0.21 -1.52 -0.00 0.00 -0.72 0.00 0.00 41.12 39.09 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj n ALA 118 N 12.58 6.21 -0.05 -1.67 0.00 -1.25 -4.27 120.51 132.06 1jfj n ALA 118 Ca 0.46 -3.08 -0.09 0.00 0.00 0.00 0.00 53.44 50.74 1jfj n ALA 118 Cb 0.45 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 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 0.26 1.58 0.00 0.00 5.03 -1.26 -5.08 115.26 115.79 1jfj n ASN 119 Ca 0.48 0.26 0.00 0.00 0.87 0.00 0.00 54.58 56.19 1jfj n ASN 119 Cb 0.50 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 38.67 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 2.10 0.46 1.82 7.41 0.00 -1.26 -5.07 105.19 110.65 1jfj n GLY 120 Ca -0.15 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.00 0.00 1.61 5.75 -1.26 -5.04 116.55 117.61 1jfj n ASP 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1jfj n ASP 121 Cb 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jfj n GLY 122 N 0.92 0.82 3.42 6.12 0.00 -1.26 -5.07 105.19 110.13 1jfj n GLY 122 Ca 0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.62 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 1.86 0.34 1.61 1.51 -1.26 -2.67 117.35 116.74 1jfj s TYR 123 Ca 0.00 -0.93 -0.09 0.00 -1.01 0.00 0.00 57.07 55.04 1jfj s TYR 123 Cb 0.00 -1.17 0.02 0.00 -0.11 0.00 0.00 41.96 40.70 1jfj s TYR 123 CO 0.00 0.02 0.59 0.96 -1.11 0.00 0.00 175.55 176.00 1jfj s ILE 124 N -3.31 0.00 0.17 2.71 -4.36 0.15 -4.90 121.20 111.66 1jfj s ILE 124 Ca 0.34 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.40 1jfj s ILE 124 Cb 0.07 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 1jfj s ILE 124 CO 0.14 0.00 0.07 0.35 0.24 0.00 0.00 174.94 175.74 1jfj n THR 125 N -0.52 0.00 0.06 8.37 -2.24 -1.26 -1.37 114.28 117.32 1jfj n THR 125 Ca -0.03 -1.02 -0.08 0.00 -2.27 0.00 0.00 64.05 60.66 1jfj n THR 125 Cb 0.61 0.39 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 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 -0.21 -0.29 3.22 4.07 -1.92 -2.00 115.31 118.18 1jfj h LEU 126 Ca -0.13 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.63 1jfj h LEU 126 Cb 0.52 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 1jfj h LEU 126 CO 0.20 0.34 0.17 -0.08 -1.08 0.00 0.00 178.44 177.99 1jfj h GLU 127 N -0.99 0.35 -1.00 1.13 4.22 -1.98 0.98 114.58 117.29 1jfj h GLU 127 Ca -0.02 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.48 1jfj h GLU 127 Cb 0.41 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1jfj h GLU 127 CO 0.04 0.23 0.64 1.49 -2.18 0.00 0.00 179.01 179.23 1jfj h GLU 128 N 0.36 1.08 -0.03 1.92 4.81 -1.98 0.10 114.58 120.85 1jfj h GLU 128 Ca 0.11 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1jfj h GLU 128 Cb -0.01 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.11 1jfj h GLU 128 CO -0.05 0.72 -0.56 0.35 -0.73 0.00 0.00 179.01 178.74 1jfj h PHE 129 N 1.12 0.12 0.55 0.92 3.57 -0.63 -1.65 116.94 120.93 1jfj h PHE 129 Ca 0.45 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.88 1jfj h PHE 129 Cb 0.26 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.98 1jfj h PHE 129 CO -0.00 0.63 -0.27 1.25 -2.23 0.00 0.00 178.31 177.69 1jfj h LEU 130 N 0.07 -0.63 -0.32 0.59 6.46 0.10 -3.15 115.31 118.44 1jfj h LEU 130 Ca -0.00 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 1jfj h LEU 130 Cb 1.00 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 1jfj h LEU 130 CO 0.08 -0.23 -0.17 1.05 -0.62 0.00 0.00 178.44 178.55 1jfj h GLU 131 N -1.18 -0.12 -1.30 1.25 -0.00 -0.94 0.26 114.58 112.55 1jfj h GLU 131 Ca -0.08 0.01 0.45 0.00 -0.00 0.00 0.00 59.36 59.75 1jfj h GLU 131 Cb 0.57 0.03 -0.14 0.00 -0.00 0.00 0.00 28.75 29.20 1jfj h GLU 131 CO 0.12 -0.08 0.82 0.74 -0.00 0.00 0.00 179.01 180.61 1jfj h PHE 132 N -0.12 0.57 -0.87 2.06 -1.00 -1.36 1.55 116.94 117.76 1jfj h PHE 132 Ca 0.16 0.03 0.13 0.00 2.81 0.00 0.00 57.97 61.10 1jfj h PHE 132 Cb 0.37 -0.13 -0.09 0.00 3.61 0.00 0.00 35.95 39.71 1jfj h PHE 132 CO -0.37 -0.29 0.49 1.03 -1.61 0.00 0.00 178.31 177.56 1jfj h SER 133 N 0.04 0.65 0.00 2.17 0.87 -0.89 -3.51 113.55 112.88 1jfj h SER 133 Ca 0.86 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.49 1jfj h SER 133 Cb 2.65 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 64.56 1jfj h SER 133 CO -0.50 0.32 0.00 -0.11 -0.53 0.00 0.00 176.83 176.00