#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 -0.10 0.00 3.04 0.00 -2.07 -3.26 119.26 116.87 1jfj h ALA 2 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1jfj h ALA 2 Cb 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jfj h ALA 2 CO 0.00 -0.17 -0.27 0.93 0.00 0.00 0.00 179.25 179.73 1jfj h GLU 3 N -0.86 0.00 -1.89 0.00 5.08 -2.02 -2.76 114.58 112.13 1jfj h GLU 3 Ca -0.01 0.00 0.56 0.00 -1.00 0.00 0.00 59.36 58.91 1jfj h GLU 3 Cb 0.61 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.78 1jfj h GLU 3 CO 0.02 0.27 1.35 0.00 -1.00 0.00 0.00 179.01 179.65 1jfj n ALA 4 N -2.43 1.82 0.41 3.43 0.00 -1.23 0.14 120.51 122.65 1jfj n ALA 4 Ca -0.02 0.67 -0.18 0.00 0.00 0.00 0.00 53.44 53.91 1jfj n ALA 4 Cb 0.34 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1jfj n ALA 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jfj h LEU 5 N 0.00 -0.88 -0.97 0.00 7.12 -1.66 0.57 115.31 119.50 1jfj h LEU 5 Ca 0.92 0.02 0.29 0.00 0.13 0.00 0.00 57.88 59.24 1jfj h LEU 5 Cb 3.63 0.23 -0.17 0.00 -0.53 0.00 0.00 40.66 43.81 1jfj h LEU 5 CO -0.06 -0.59 0.15 0.15 -0.13 0.00 0.00 178.44 177.96 1jfj h PHE 6 N -1.11 0.17 -0.01 1.25 3.04 0.11 1.51 116.94 121.90 1jfj h PHE 6 Ca -0.11 0.06 -0.21 0.00 3.98 0.00 0.00 57.97 61.69 1jfj h PHE 6 Cb 0.81 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.40 1jfj h PHE 6 CO -0.01 -0.40 -0.90 -0.22 -2.02 0.00 0.00 178.31 174.76 1jfj h LYS 7 N 0.04 0.36 -0.38 1.11 3.11 -1.34 -3.10 116.57 116.37 1jfj h LYS 7 Ca 0.63 -0.37 0.08 0.00 -2.81 0.00 0.00 60.65 58.18 1jfj h LYS 7 Cb 1.37 0.10 -0.09 0.00 -1.00 0.00 0.00 32.23 32.62 1jfj h LYS 7 CO -0.85 1.05 -0.21 1.49 -2.81 0.00 0.00 179.45 178.13 1jfj h GLU 8 N 0.21 -0.14 0.00 1.90 4.81 0.76 0.41 114.58 122.52 1jfj h GLU 8 Ca -0.06 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1jfj h GLU 8 Cb 1.52 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.93 1jfj h GLU 8 CO 0.15 -0.09 -0.16 0.82 -0.73 0.00 0.00 179.01 179.00 1jfj h ILE 9 N -0.14 1.05 0.00 2.32 1.08 -1.17 -3.09 117.51 117.56 1jfj h ILE 9 Ca 0.19 -0.55 -0.43 0.00 -0.39 0.00 0.00 64.86 63.68 1jfj h ILE 9 Cb 0.44 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 1jfj h ILE 9 CO -0.47 0.15 2.03 -0.67 -0.69 0.00 0.00 178.15 178.50 1jfj n ASP 10 N -4.27 6.67 0.15 1.72 2.03 0.14 -4.47 116.55 118.53 1jfj n ASP 10 Ca -0.02 -2.46 0.04 0.00 0.52 0.00 0.00 54.79 52.87 1jfj n ASP 10 Cb 0.23 -1.39 0.47 0.00 -0.72 0.00 0.00 41.12 39.71 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 2.69 1.12 -1.11 5.18 2.07 -1.63 -1.68 116.25 122.89 1jfj h VAL 11 Ca 0.55 -0.48 0.32 0.00 0.82 0.00 0.00 66.70 67.91 1jfj h VAL 11 Cb 0.70 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1jfj h VAL 11 CO 1.13 0.15 1.02 -0.55 0.02 0.00 0.00 177.57 179.35 1jfj h ASN 12 N 0.18 0.00 -3.00 0.57 7.08 -1.91 -3.46 115.58 115.04 1jfj h ASN 12 Ca 0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.26 1jfj h ASN 12 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.45 1jfj h ASN 12 CO 0.01 0.00 -0.00 0.61 -2.08 0.00 0.00 177.43 175.97 1jfj n GLY 13 N -1.72 -3.27 0.00 9.14 0.00 -0.63 -5.06 105.19 103.66 1jfj n GLY 13 Ca 0.24 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1jfj n GLY 13 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 14 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.99 116.55 111.84 1jfj n ASP 14 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1jfj n ASP 14 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jfj n GLY 15 N -0.53 1.61 3.50 0.27 0.00 -1.26 -5.02 105.19 103.76 1jfj n GLY 15 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.43 2.83 0.14 4.61 0.00 -1.26 -3.55 121.76 122.09 1jfj s ALA 16 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1jfj s ALA 16 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1jfj s ALA 16 CO 0.00 0.20 0.00 1.55 0.00 0.00 0.00 175.76 177.52 1jfj n VAL 17 N -0.69 0.00 -3.64 0.00 3.14 0.15 -4.95 118.33 112.34 1jfj n VAL 17 Ca -0.05 -0.66 -0.03 0.00 -2.96 0.00 0.00 64.34 60.64 1jfj n VAL 17 Cb 0.61 0.14 -0.01 0.00 -1.06 0.00 0.00 33.84 33.53 1jfj n VAL 17 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1jfj n SER 18 N -1.15 -0.36 0.05 6.55 3.41 -1.26 -1.50 113.62 119.36 1jfj n SER 18 Ca -0.05 -1.46 -0.10 0.00 -0.26 0.00 0.00 58.87 57.00 1jfj n SER 18 Cb 0.18 0.66 0.03 0.00 -0.26 0.00 0.00 64.21 64.82 1jfj n SER 18 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1jfj h TYR 19 N 1.25 0.56 0.02 7.33 -0.00 -1.93 0.10 116.97 124.30 1jfj h TYR 19 Ca -0.07 -0.24 -0.21 0.00 0.00 0.00 0.00 58.73 58.21 1jfj h TYR 19 Cb 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 36.73 36.95 1jfj h TYR 19 CO 0.00 0.99 -0.85 1.49 -0.00 0.00 0.00 178.16 179.79 1jfj h GLU 20 N 0.29 0.53 -0.24 0.10 4.81 -1.97 -1.29 114.58 116.81 1jfj h GLU 20 Ca -0.03 -0.60 -0.08 0.00 -0.13 0.00 0.00 59.36 58.52 1jfj h GLU 20 Cb 1.28 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1jfj h GLU 20 CO 0.12 1.23 -0.14 0.93 -0.73 0.00 0.00 179.01 180.41 1jfj h GLU 21 N 0.10 0.52 0.19 1.92 5.08 -1.95 0.15 114.58 120.59 1jfj h GLU 21 Ca -0.11 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1jfj h GLU 21 Cb 1.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1jfj h GLU 21 CO 0.17 0.80 -0.09 -0.24 -1.00 0.00 0.00 179.01 178.65 1jfj h VAL 22 N 0.24 0.87 -0.03 3.13 3.04 -0.88 0.52 116.25 123.14 1jfj h VAL 22 Ca 0.05 -0.25 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 1jfj h VAL 22 Cb 0.66 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1jfj h VAL 22 CO 0.04 0.06 -0.03 0.07 -1.01 0.00 0.00 177.57 176.70 1jfj h LYS 23 N -0.37 0.04 -0.18 4.17 2.10 -1.24 -0.97 116.57 120.12 1jfj h LYS 23 Ca -0.03 -0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.42 1jfj h LYS 23 Cb 0.29 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1jfj h LYS 23 CO 0.04 0.07 -0.65 0.00 -2.00 0.00 0.00 179.45 176.91 1jfj h ALA 24 N 1.93 0.32 0.01 0.07 0.00 -0.02 0.14 119.26 121.72 1jfj h ALA 24 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1jfj h ALA 24 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jfj h ALA 24 CO 0.00 0.61 -0.03 0.35 0.00 0.00 0.00 179.25 180.19 1jfj h PHE 25 N 0.48 -0.07 -0.12 0.00 3.04 0.13 0.43 116.94 120.83 1jfj h PHE 25 Ca -0.03 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.79 1jfj h PHE 25 Cb 1.28 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.81 1jfj h PHE 25 CO 0.09 -0.04 -0.51 -0.24 -2.02 0.00 0.00 178.31 175.58 1jfj h VAL 26 N -0.05 1.34 -0.56 1.41 3.04 -1.31 -2.99 116.25 117.13 1jfj h VAL 26 Ca 0.01 -1.77 -0.04 0.00 -1.01 0.00 0.00 66.70 63.89 1jfj h VAL 26 Cb 0.06 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 1jfj h VAL 26 CO -0.02 0.53 0.20 -1.28 -1.01 0.00 0.00 177.57 175.98 1jfj h SER 27 N 0.25 0.80 -1.97 3.17 0.87 -0.21 -2.19 113.55 114.27 1jfj h SER 27 Ca 0.01 -0.19 0.57 0.00 -1.23 0.00 0.00 61.79 60.95 1jfj h SER 27 Cb 0.99 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.66 1jfj h SER 27 CO 0.08 0.78 1.43 0.11 -0.53 0.00 0.00 176.83 178.70 1jfj h LYS 28 N 0.78 0.00 0.00 2.24 1.57 -0.00 0.31 116.57 121.46 1jfj h LYS 28 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1jfj h LYS 28 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1jfj h LYS 28 CO -0.01 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 180.04 1jfj n LYS 29 N -3.93 0.00 -2.97 3.15 3.00 -0.83 -5.03 118.16 111.56 1jfj n LYS 29 Ca 0.44 0.43 -0.09 0.00 -0.00 0.00 0.00 58.31 59.10 1jfj n LYS 29 Cb 2.02 -1.03 -0.03 0.00 0.00 0.00 0.00 35.03 35.98 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 -1.80 0.25 -3.21 1.64 1.74 0.10 -5.10 116.66 110.27 1jfj n ARG 30 Ca 0.00 -1.44 -0.23 0.00 -0.77 0.00 0.00 57.85 55.41 1jfj n ARG 30 Cb 0.00 1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 32.51 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 -2.03 2.71 -1.53 7.54 0.00 -1.26 -4.19 120.51 121.74 1jfj n ALA 31 Ca -0.05 -3.68 -0.34 0.00 0.00 0.00 0.00 53.44 49.36 1jfj n ALA 31 Cb 0.26 -0.85 0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 0.98 3.52 -3.42 0.00 0.13 -1.26 -4.77 119.36 114.54 1jfj n ILE 32 Ca 0.24 -3.34 -0.24 0.00 -1.10 0.00 0.00 62.75 58.31 1jfj n ILE 32 Cb 0.53 -1.25 0.06 0.00 -0.84 0.00 0.00 39.64 38.15 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 -0.50 -6.59 -0.21 9.51 5.02 -1.26 -4.88 118.16 119.26 1jfj n LYS 33 Ca 0.55 0.83 -0.08 0.00 -2.02 0.00 0.00 58.31 57.59 1jfj n LYS 33 Cb 0.48 -5.80 0.03 0.00 -0.02 0.00 0.00 35.03 29.72 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1jfj h ASN 34 N -2.15 0.90 -0.94 4.39 7.08 -1.91 -2.73 115.58 120.22 1jfj h ASN 34 Ca -0.55 -0.23 0.34 0.00 -3.08 0.00 0.00 56.30 52.77 1jfj h ASN 34 Cb 1.37 -0.24 -0.17 0.00 -2.08 0.00 0.00 38.32 37.20 1jfj h ASN 34 CO 0.57 0.90 0.30 1.21 -2.08 0.00 0.00 177.43 178.33 1jfj n GLU 35 N -4.36 -0.06 0.23 4.14 0.00 -1.26 0.12 120.64 119.44 1jfj n GLU 35 Ca 0.03 1.35 -0.10 0.00 0.00 0.00 0.00 57.16 58.44 1jfj n GLU 35 Cb 0.24 -2.30 -0.05 0.00 0.00 0.00 0.00 31.44 29.33 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1jfj h GLN 36 N 0.00 -0.61 -0.07 5.31 4.15 -1.87 -0.13 115.11 121.89 1jfj h GLN 36 Ca 0.70 0.04 0.02 0.00 0.77 0.00 0.00 58.65 60.19 1jfj h GLN 36 Cb 1.72 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 29.49 1jfj h GLN 36 CO -0.79 -0.40 -0.52 -0.07 -1.93 0.00 0.00 178.83 175.11 1jfj h LEU 37 N -0.96 -1.63 -0.93 -2.39 -0.00 -0.71 0.19 115.31 108.88 1jfj h LEU 37 Ca -0.06 0.19 0.21 0.00 -0.00 0.00 0.00 57.88 58.22 1jfj h LEU 37 Cb 0.48 0.63 -0.12 0.00 -0.00 0.00 0.00 40.66 41.65 1jfj h LEU 37 CO 0.11 -0.48 0.48 0.25 -0.00 0.00 0.00 178.44 178.80 1jfj h LEU 38 N -0.60 0.52 -1.59 1.67 6.46 0.78 0.93 115.31 123.48 1jfj h LEU 38 Ca 0.02 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 1jfj h LEU 38 Cb 0.67 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.64 1jfj h LEU 38 CO -0.39 0.10 0.29 1.56 -0.62 0.00 0.00 178.44 179.38 1jfj h GLN 39 N 0.53 0.54 0.49 1.25 4.20 0.12 0.80 115.11 123.05 1jfj h GLN 39 Ca 0.57 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.22 1jfj h GLN 39 Cb 1.02 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.69 1jfj h GLN 39 CO -0.47 0.36 -0.24 -0.07 -0.67 0.00 0.00 178.83 177.75 1jfj h LEU 40 N 0.56 -0.56 0.63 1.46 3.38 0.35 -1.21 115.31 119.93 1jfj h LEU 40 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1jfj h LEU 40 Cb -0.03 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jfj h LEU 40 CO -0.04 -0.19 -0.48 -0.29 0.09 0.00 0.00 178.44 177.53 1jfj h ILE 41 N -1.08 0.00 -0.73 1.22 2.10 -0.99 0.27 117.51 118.31 1jfj h ILE 41 Ca -0.07 0.00 0.09 0.00 1.08 0.00 0.00 64.86 65.96 1jfj h ILE 41 Cb 0.51 0.00 -0.11 0.00 -1.09 0.00 0.00 36.82 36.12 1jfj h ILE 41 CO 0.11 0.00 -0.51 0.15 -1.08 0.00 0.00 178.15 176.82 1jfj h PHE 42 N -1.08 -1.57 -0.77 2.19 3.04 0.50 0.56 116.94 119.82 1jfj h PHE 42 Ca -0.08 0.10 0.09 0.00 3.98 0.00 0.00 57.97 62.06 1jfj h PHE 42 Cb 0.89 0.78 -0.07 0.00 2.56 0.00 0.00 35.95 40.11 1jfj h PHE 42 CO -0.17 -0.42 0.42 -0.22 -2.02 0.00 0.00 178.31 175.90 1jfj h LYS 43 N -0.17 0.69 0.47 1.11 3.64 -1.04 0.81 116.57 122.08 1jfj h LYS 43 Ca 0.17 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1jfj h LYS 43 Cb 0.53 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1jfj h LYS 43 CO -0.79 0.46 -0.50 1.03 -2.27 0.00 0.00 179.45 177.37 1jfj h SER 44 N 0.71 -1.39 -0.21 4.20 0.87 0.36 -2.73 113.55 115.36 1jfj h SER 44 Ca 0.37 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 61.07 1jfj h SER 44 Cb 0.36 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1jfj h SER 44 CO -0.25 -0.65 0.08 0.40 -0.53 0.00 0.00 176.83 175.87 1jfj h ILE 45 N -0.98 0.96 -1.44 2.23 5.03 0.12 -3.30 117.51 120.13 1jfj h ILE 45 Ca -0.06 -0.06 -0.65 0.00 -0.12 0.00 0.00 64.86 63.98 1jfj h ILE 45 Cb 0.86 0.77 -0.12 0.00 -3.03 0.00 0.00 36.82 35.29 1jfj h ILE 45 CO -0.08 0.03 1.46 -0.62 -0.68 0.00 0.00 178.15 178.27 1jfj s ASP 46 N -5.31 6.63 -0.03 1.72 -1.08 0.28 -4.62 116.67 114.27 1jfj s ASP 46 Ca -0.13 -1.88 0.16 0.00 -0.52 0.00 0.00 52.55 50.18 1jfj s ASP 46 Cb 0.09 -2.52 -0.25 0.00 -1.46 0.00 0.00 42.92 38.78 1jfj s ASP 46 CO 0.69 -1.29 0.34 0.00 0.52 0.00 0.00 175.17 175.43 1jfj n ALA 47 N 8.02 2.56 0.34 3.66 0.00 -1.23 -4.26 120.51 129.59 1jfj n ALA 47 Ca 0.34 -0.42 0.23 0.00 0.00 0.00 0.00 53.44 53.59 1jfj n ALA 47 Cb 0.49 -0.54 1.22 0.00 0.00 0.00 0.00 19.45 20.62 1jfj n ALA 47 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1jfj h ASP 48 N 0.00 0.00 -1.68 0.00 3.04 -1.91 -3.45 116.42 112.42 1jfj h ASP 48 Ca -0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.77 1jfj h ASP 48 Cb 0.81 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.10 1jfj h ASP 48 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1jfj n GLY 49 N -1.06 0.47 0.11 7.15 0.00 -1.26 -5.01 105.19 105.60 1jfj n GLY 49 Ca -0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.75 1.70 0.00 1.61 4.05 -1.26 -4.98 115.26 115.63 1jfj n ASN 50 Ca 0.00 -0.10 0.00 0.00 0.45 0.00 0.00 54.58 54.93 1jfj n ASN 50 Cb 0.43 -0.05 0.00 0.00 1.23 0.00 0.00 39.78 41.39 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 2.23 2.41 3.45 8.20 0.00 -1.26 -4.97 105.19 115.25 1jfj n GLY 51 Ca -0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.06 1.70 0.33 1.61 2.02 -1.26 -3.15 118.70 119.89 1jfj s GLU 52 Ca 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 54.97 53.00 1jfj s GLU 52 Cb 0.00 -0.72 -0.00 0.00 0.10 0.00 0.00 34.13 33.51 1jfj s GLU 52 CO 0.00 -0.29 0.44 0.96 0.02 0.00 0.00 175.26 176.39 1jfj s ILE 53 N -3.33 0.00 0.24 -1.63 -4.36 -0.56 -4.95 121.20 106.61 1jfj s ILE 53 Ca 0.33 -1.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.09 1jfj s ILE 53 Cb 0.07 -2.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.18 1jfj s ILE 53 CO 0.15 0.00 0.08 -0.90 0.24 0.00 0.00 174.94 174.51 1jfj n ASP 54 N -1.30 1.19 -0.02 4.36 5.68 -1.26 0.34 116.55 125.54 1jfj n ASP 54 Ca 0.02 -2.27 -0.09 0.00 -0.50 0.00 0.00 54.79 51.95 1jfj n ASP 54 Cb 0.62 0.58 -0.02 0.00 -1.14 0.00 0.00 41.12 41.16 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 -0.22 0.65 0.11 4.20 -1.94 1.42 115.11 119.32 1jfj h GLN 55 Ca -0.19 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1jfj h GLN 55 Cb 0.71 0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.55 1jfj h GLN 55 CO 0.30 -0.15 -0.31 -0.97 -0.67 0.00 0.00 178.83 177.03 1jfj h ASN 56 N -0.23 -0.74 -1.04 1.46 -1.24 -1.97 -0.50 115.58 111.32 1jfj h ASN 56 Ca 0.11 0.01 0.30 0.00 0.71 0.00 0.00 56.30 57.43 1jfj h ASN 56 Cb 0.40 0.19 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 1jfj h ASN 56 CO -0.31 -0.36 0.75 -0.08 -1.29 0.00 0.00 177.43 176.14 1jfj h GLU 57 N -1.20 0.01 -0.06 6.67 4.81 -1.91 0.27 114.58 123.17 1jfj h GLU 57 Ca -0.09 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1jfj h GLU 57 Cb 0.69 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.07 1jfj h GLU 57 CO 0.15 0.01 -0.36 0.35 -0.73 0.00 0.00 179.01 178.42 1jfj h PHE 58 N 0.01 0.47 -0.67 0.92 3.04 0.22 0.10 116.94 121.03 1jfj h PHE 58 Ca 0.50 -0.22 0.06 0.00 3.98 0.00 0.00 57.97 62.29 1jfj h PHE 58 Cb 1.97 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 40.36 1jfj h PHE 58 CO -0.00 0.97 0.38 0.00 -2.02 0.00 0.00 178.31 177.64 1jfj h ALA 59 N 0.40 0.90 -0.18 2.41 0.00 0.12 0.18 119.26 123.09 1jfj h ALA 59 Ca -0.03 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1jfj h ALA 59 Cb 1.03 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1jfj h ALA 59 CO 0.07 0.06 -0.24 0.87 0.00 0.00 0.00 179.25 180.02 1jfj h LYS 60 N 0.70 0.47 -0.79 0.00 1.57 -1.20 -3.02 116.57 114.31 1jfj h LYS 60 Ca 0.30 -0.27 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1jfj h LYS 60 Cb 0.18 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1jfj h LYS 60 CO -0.18 0.86 0.52 0.35 -0.57 0.00 0.00 179.45 180.43 1jfj h PHE 61 N 0.12 0.60 -0.90 -1.35 3.04 -0.06 -2.57 116.94 115.82 1jfj h PHE 61 Ca 0.02 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.08 1jfj h PHE 61 Cb 0.80 -0.19 -0.12 0.00 2.56 0.00 0.00 35.95 39.01 1jfj h PHE 61 CO 0.09 0.23 -0.57 -0.92 -2.02 0.00 0.00 178.31 175.13 1jfj h TYR 62 N 0.52 -1.79 -5.72 0.41 3.20 -0.53 -3.46 116.97 109.59 1jfj h TYR 62 Ca 0.39 0.12 -0.29 0.00 3.14 0.00 0.00 58.73 62.09 1jfj h TYR 62 Cb 0.77 0.90 0.01 0.00 1.54 0.00 0.00 36.73 39.95 1jfj h TYR 62 CO -0.00 -0.39 -0.99 0.41 -1.64 0.00 0.00 178.16 175.55 1jfj n GLY 63 N -1.29 0.15 3.25 1.82 0.00 -0.97 -4.58 105.19 103.56 1jfj n GLY 63 Ca 0.02 0.85 -0.43 0.00 0.00 0.00 0.00 46.02 46.46 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 0.18 2.07 -2.74 1.61 3.41 -1.26 -4.37 113.62 112.52 1jfj n SER 64 Ca -0.07 -2.62 -0.06 0.00 -0.26 0.00 0.00 58.87 55.87 1jfj n SER 64 Cb 0.55 -0.97 0.03 0.00 -0.26 0.00 0.00 64.21 63.56 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfj n ILE 65 N 6.44 0.00 1.05 -1.33 3.06 -1.26 -4.97 119.36 122.35 1jfj n ILE 65 Ca 0.48 -1.11 0.12 0.00 -2.50 0.00 0.00 62.75 59.74 1jfj n ILE 65 Cb 0.41 1.17 0.21 0.00 0.54 0.00 0.00 39.64 41.97 1jfj n ILE 65 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1jfj n GLN 66 N 2.33 0.22 0.00 9.51 10.64 -1.26 -5.01 117.38 133.81 1jfj n GLN 66 Ca 0.13 -0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1jfj n GLN 66 Cb 0.60 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1jfj n GLY 67 N 1.46 1.40 1.58 2.61 0.00 -1.26 -4.75 105.19 106.24 1jfj n GLY 67 Ca 0.07 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1jfj n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfj n GLN 68 N 0.00 1.25 0.00 1.61 10.64 -1.26 -5.15 117.38 124.47 1jfj n GLN 68 Ca 0.00 -1.62 0.00 0.00 -1.83 0.00 0.00 57.00 53.55 1jfj n GLN 68 Cb 0.00 0.56 0.00 0.00 -0.86 0.00 0.00 30.24 29.94 1jfj n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1jfj n ASP 69 N -1.34 -0.61 -4.27 2.61 -0.08 -1.26 -4.92 116.55 106.67 1jfj n ASP 69 Ca -0.07 -0.04 -0.44 0.00 -1.51 0.00 0.00 54.79 52.73 1jfj n ASP 69 Cb 0.28 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.69 1jfj n ASP 69 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1jfj s LEU 70 N 0.00 6.10 0.48 -2.67 0.20 -1.26 -4.90 118.68 116.63 1jfj s LEU 70 Ca 0.00 -2.08 0.15 0.00 0.69 0.00 0.00 54.13 52.89 1jfj s LEU 70 Cb 0.00 -2.13 1.10 0.00 -0.43 0.00 0.00 46.19 44.74 1jfj s LEU 70 CO 0.00 -0.72 2.06 0.77 -0.29 0.00 0.00 176.35 178.17 1jfj h SER 71 N 8.42 0.02 -0.81 3.68 4.64 -2.01 -1.11 113.55 126.38 1jfj h SER 71 Ca -0.17 -0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.38 1jfj h SER 71 Cb 1.07 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 1jfj h SER 71 CO 0.91 0.12 0.60 -0.78 -0.87 0.00 0.00 176.83 176.80 1jfj h ASP 72 N 0.02 0.00 -0.52 4.97 3.58 -1.97 0.88 116.42 123.38 1jfj h ASP 72 Ca 0.01 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1jfj h ASP 72 Cb 0.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1jfj h ASP 72 CO 0.01 0.00 -0.08 -0.78 -2.88 0.00 0.00 179.24 175.51 1jfj h ASP 73 N 0.00 0.99 -0.05 2.28 3.58 -1.62 0.43 116.42 122.04 1jfj h ASP 73 Ca 0.38 -0.31 -0.25 0.00 0.42 0.00 0.00 57.03 57.27 1jfj h ASP 73 Cb 1.58 -0.27 0.02 0.00 1.72 0.00 0.00 39.33 42.38 1jfj h ASP 73 CO -0.00 1.09 -0.95 0.11 -2.88 0.00 0.00 179.24 176.61 1jfj h LYS 74 N 0.90 0.73 -0.12 0.28 1.57 0.47 -1.84 116.57 118.55 1jfj h LYS 74 Ca 0.15 -0.72 -0.07 0.00 -1.87 0.00 0.00 60.65 58.14 1jfj h LYS 74 Cb 0.63 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1jfj h LYS 74 CO 0.04 1.30 -0.23 0.82 -0.57 0.00 0.00 179.45 180.81 1jfj h ILE 75 N 0.42 1.22 0.19 1.86 2.04 -0.28 0.16 117.51 123.13 1jfj h ILE 75 Ca -0.11 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 1jfj h ILE 75 Cb 1.60 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1jfj h ILE 75 CO 0.19 0.32 -0.09 1.23 0.00 0.00 0.00 178.15 179.79 1jfj h GLY 76 N 0.92 -0.27 1.90 5.37 0.00 -0.06 0.46 103.07 111.38 1jfj h GLY 76 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1jfj h GLY 76 CO 0.04 -0.10 0.07 -2.00 0.00 0.00 0.00 176.54 174.55 1jfj h LEU 77 N -0.80 0.11 -0.23 3.11 5.85 -1.24 -0.35 115.31 121.76 1jfj h LEU 77 Ca -0.03 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.48 1jfj h LEU 77 Cb 0.52 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.52 1jfj h LEU 77 CO 0.04 0.08 -0.73 0.11 -0.34 0.00 0.00 178.44 177.61 1jfj h LYS 78 N 0.14 0.75 -0.44 1.25 1.57 -0.91 -1.15 116.57 117.78 1jfj h LYS 78 Ca 0.04 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1jfj h LYS 78 Cb -0.01 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1jfj h LYS 78 CO -0.01 1.20 0.28 0.28 -0.57 0.00 0.00 179.45 180.63 1jfj h VAL 79 N 0.53 1.13 0.50 0.50 2.07 0.70 -1.09 116.25 120.58 1jfj h VAL 79 Ca -0.04 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1jfj h VAL 79 Cb 1.34 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1jfj h VAL 79 CO 0.15 0.13 -0.24 -0.07 0.02 0.00 0.00 177.57 177.56 1jfj h LEU 80 N 0.59 -0.57 -0.89 2.57 4.07 -1.16 0.20 115.31 120.12 1jfj h LEU 80 Ca 0.16 -0.05 0.24 0.00 0.08 0.00 0.00 57.88 58.31 1jfj h LEU 80 Cb -0.03 0.15 -0.15 0.00 1.08 0.00 0.00 40.66 41.70 1jfj h LEU 80 CO -0.03 -0.28 0.14 0.22 -1.08 0.00 0.00 178.44 177.41 1jfj h TYR 81 N -0.85 0.17 -0.00 1.13 3.20 -1.04 1.57 116.97 121.15 1jfj h TYR 81 Ca -0.07 0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 1jfj h TYR 81 Cb 0.59 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1jfj h TYR 81 CO -0.01 -0.29 -0.67 1.57 -1.64 0.00 0.00 178.16 177.12 1jfj h LYS 82 N 0.12 0.01 -0.12 1.82 5.09 -1.03 -2.77 116.57 119.69 1jfj h LYS 82 Ca 0.55 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 61.23 1jfj h LYS 82 Cb 1.11 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.43 1jfj h LYS 82 CO -0.74 0.67 -0.15 1.25 -2.09 0.00 0.00 179.45 178.40 1jfj h LEU 83 N 0.01 0.18 -0.10 7.07 5.85 0.53 -2.77 115.31 126.07 1jfj h LEU 83 Ca -0.01 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1jfj h LEU 83 Cb 1.18 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1jfj h LEU 83 CO 0.09 0.35 -0.10 0.24 -0.34 0.00 0.00 178.44 178.68 1jfj h MET 84 N 0.18 0.26 -6.06 1.25 2.86 -0.27 -3.38 114.93 109.77 1jfj h MET 84 Ca 0.04 -0.14 -0.60 0.00 -2.06 0.00 0.00 59.70 56.94 1jfj h MET 84 Cb 0.38 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.94 1jfj h MET 84 CO 0.02 0.67 1.37 0.34 1.06 0.00 0.00 176.91 180.37 1jfj s ASP 85 N -6.01 6.45 -0.07 1.22 2.15 -1.05 -4.72 116.67 114.65 1jfj s ASP 85 Ca -0.15 -1.33 0.16 0.00 0.43 0.00 0.00 52.55 51.67 1jfj s ASP 85 Cb 0.04 -2.55 0.55 0.00 -0.30 0.00 0.00 42.92 40.66 1jfj s ASP 85 CO 0.73 -1.53 1.47 0.55 -0.17 0.00 0.00 175.17 176.22 1jfj n VAL 86 N 6.70 1.50 -0.02 1.11 3.14 -1.26 -4.28 118.33 125.22 1jfj n VAL 86 Ca 0.27 -1.20 -0.16 0.00 -2.96 0.00 0.00 64.34 60.29 1jfj n VAL 86 Cb 0.50 0.25 -0.14 0.00 -1.06 0.00 0.00 33.84 33.40 1jfj n VAL 86 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1jfj n ASP 87 N 0.79 1.57 0.00 6.55 5.68 -1.26 -5.02 116.55 124.85 1jfj n ASP 87 Ca 0.21 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 1jfj n ASP 87 Cb 0.70 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 1.85 0.85 0.45 6.12 0.00 -1.26 -5.07 105.19 108.12 1jfj n GLY 88 Ca -0.28 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1jfj n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 89 N 0.00 1.53 0.00 1.61 -0.08 -1.26 -5.04 116.55 113.31 1jfj n ASP 89 Ca 0.00 0.25 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 1jfj n ASP 89 Cb 0.00 -0.57 0.00 0.00 2.34 0.00 0.00 41.12 42.89 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jfj n GLY 90 N 2.14 1.54 3.45 0.27 0.00 -1.26 -5.06 105.19 106.27 1jfj n GLY 90 Ca -0.15 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 1.62 0.31 1.61 -2.85 -1.26 -3.52 119.74 115.64 1jfj s LYS 91 Ca 0.00 -1.67 0.07 0.00 -1.00 0.00 0.00 55.97 53.37 1jfj s LYS 91 Cb 0.00 -1.80 -0.06 0.00 -2.06 0.00 0.00 37.83 33.90 1jfj s LYS 91 CO 0.00 0.36 -0.05 -0.51 0.10 0.00 0.00 175.35 175.25 1jfj s LEU 92 N -3.18 2.53 0.46 2.77 2.01 0.10 -4.97 118.68 118.40 1jfj s LEU 92 Ca 0.26 -1.23 0.03 0.00 0.01 0.00 0.00 54.13 53.21 1jfj s LEU 92 Cb -0.06 -0.70 -0.01 0.00 0.01 0.00 0.00 46.19 45.43 1jfj s LEU 92 CO 0.13 -0.35 0.09 0.42 1.01 0.00 0.00 176.35 177.65 1jfj s THR 93 N -2.94 0.70 0.14 5.49 -4.23 -1.26 0.23 115.64 113.76 1jfj s THR 93 Ca 0.31 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1jfj s THR 93 Cb 0.04 -2.20 -0.16 0.00 1.34 0.00 0.00 72.50 71.52 1jfj s THR 93 CO 0.14 0.00 1.34 0.50 -0.54 0.00 0.00 174.62 176.05 1jfj h LYS 94 N 1.57 0.44 -0.13 3.99 3.11 -1.38 0.89 116.57 125.06 1jfj h LYS 94 Ca -0.38 -0.43 -0.21 0.00 -2.81 0.00 0.00 60.65 56.82 1jfj h LYS 94 Cb 1.29 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.64 1jfj h LYS 94 CO 0.61 1.08 -0.76 0.93 -2.81 0.00 0.00 179.45 178.50 1jfj h GLU 95 N 0.27 0.66 0.04 1.90 5.08 -1.97 -1.13 114.58 119.43 1jfj h GLU 95 Ca -0.07 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1jfj h GLU 95 Cb 1.50 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1jfj h GLU 95 CO 0.15 1.16 -0.02 1.49 -1.00 0.00 0.00 179.01 180.79 1jfj h GLU 96 N 0.45 -0.05 -0.36 2.33 4.81 -1.94 0.30 114.58 120.12 1jfj h GLU 96 Ca -0.04 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1jfj h GLU 96 Cb 1.37 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.72 1jfj h GLU 96 CO 0.15 0.52 0.11 -0.24 -0.73 0.00 0.00 179.01 178.81 1jfj h VAL 97 N -0.66 0.87 -0.00 0.32 3.04 -0.89 0.43 116.25 119.35 1jfj h VAL 97 Ca -0.01 -0.08 -0.10 0.00 -1.01 0.00 0.00 66.70 65.50 1jfj h VAL 97 Cb 0.59 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 1jfj h VAL 97 CO 0.01 0.04 -0.46 0.00 -1.01 0.00 0.00 177.57 176.15 1jfj h THR 98 N 0.24 1.33 -0.40 3.17 1.03 -1.25 0.35 112.91 117.39 1jfj h THR 98 Ca 0.16 -1.58 -0.02 0.00 -0.01 0.00 0.00 66.41 64.96 1jfj h THR 98 Cb 0.16 1.85 -0.02 0.00 -1.07 0.00 0.00 68.15 69.07 1jfj h THR 98 CO -0.19 0.45 0.16 0.28 -0.01 0.00 0.00 175.52 176.21 1jfj h SER 99 N 0.00 0.55 -0.01 0.00 0.02 0.11 0.16 113.55 114.37 1jfj h SER 99 Ca -0.00 -0.17 -0.26 0.00 -0.84 0.00 0.00 61.79 60.52 1jfj h SER 99 Cb 0.82 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 63.23 1jfj h SER 99 CO 0.06 0.56 -1.01 0.15 -1.14 0.00 0.00 176.83 175.46 1jfj h PHE 100 N 0.49 1.04 -0.12 3.45 3.57 -0.80 -3.20 116.94 121.37 1jfj h PHE 100 Ca 0.13 -0.56 -0.04 0.00 3.53 0.00 0.00 57.97 61.04 1jfj h PHE 100 Cb 0.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1jfj h PHE 100 CO -0.00 1.39 -0.09 0.74 -2.23 0.00 0.00 178.31 178.13 1jfj h PHE 101 N 0.39 0.19 -0.91 0.41 0.04 -0.82 -2.42 116.94 113.82 1jfj h PHE 101 Ca -0.12 -0.01 0.24 0.00 2.80 0.00 0.00 57.97 60.87 1jfj h PHE 101 Cb 1.66 -0.06 -0.13 0.00 2.20 0.00 0.00 35.95 39.62 1jfj h PHE 101 CO 0.10 0.28 0.38 -0.22 -0.60 0.00 0.00 178.31 178.25 1jfj h LYS 102 N 0.18 0.34 -0.79 1.51 3.64 -0.68 1.51 116.57 122.28 1jfj h LYS 102 Ca 0.04 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.56 1jfj h LYS 102 Cb 0.27 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1jfj h LYS 102 CO 0.01 0.22 0.53 0.87 -2.27 0.00 0.00 179.45 178.82 1jfj h LYS 103 N 0.35 0.42 0.22 1.90 1.57 -1.58 -2.11 116.57 117.33 1jfj h LYS 103 Ca 0.58 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.33 1jfj h LYS 103 Cb 1.15 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1jfj h LYS 103 CO -0.57 0.28 -0.11 1.25 -0.57 0.00 0.00 179.45 179.73 1jfj h HIS 104 N 0.43 -0.28 0.00 -1.35 2.76 0.19 -3.49 115.15 113.42 1jfj h HIS 104 Ca 0.39 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1jfj h HIS 104 Cb 0.90 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1jfj h HIS 104 CO -0.00 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 177.04 1jfj n GLY 105 N 0.79 2.68 3.47 5.26 0.00 -0.35 -5.03 105.19 112.02 1jfj n GLY 105 Ca -0.06 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1jfj n GLY 105 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jfj n ILE 106 N 0.00 1.56 0.11 -0.61 3.06 -1.26 -4.62 119.36 117.61 1jfj n ILE 106 Ca 0.00 -1.56 -0.03 0.00 -2.50 0.00 0.00 62.75 58.67 1jfj n ILE 106 Cb 0.00 -2.17 0.18 0.00 0.54 0.00 0.00 39.64 38.18 1jfj n ILE 106 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 1jfj h GLU 107 N 9.57 0.13 -1.55 9.51 4.11 -1.93 -2.92 114.58 131.49 1jfj h GLU 107 Ca 0.24 -0.08 0.45 0.00 0.07 0.00 0.00 59.36 60.04 1jfj h GLU 107 Cb 0.87 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 1jfj h GLU 107 CO 1.40 0.65 1.12 1.57 0.07 0.00 0.00 179.01 183.83 1jfj h LYS 108 N 0.10 0.00 -1.09 1.06 2.10 -2.00 1.27 116.57 118.00 1jfj h LYS 108 Ca -0.00 0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.94 1jfj h LYS 108 Cb 1.02 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.27 1jfj h LYS 108 CO 0.08 0.00 0.73 -0.24 -2.00 0.00 0.00 179.45 178.02 1jfj h VAL 109 N 0.00 0.47 -0.50 0.07 3.04 -1.90 1.51 116.25 118.94 1jfj h VAL 109 Ca 0.74 -0.09 -0.05 0.00 -1.01 0.00 0.00 66.70 66.29 1jfj h VAL 109 Cb 2.97 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 32.42 1jfj h VAL 109 CO -0.01 0.05 0.11 0.00 -1.01 0.00 0.00 177.57 176.71 1jfj h ALA 110 N 1.56 1.27 -0.07 3.17 0.00 0.14 0.51 119.26 125.83 1jfj h ALA 110 Ca 0.59 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 55.12 1jfj h ALA 110 Cb 1.78 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1jfj h ALA 110 CO -0.21 0.51 -0.76 1.49 0.00 0.00 0.00 179.25 180.28 1jfj h GLU 111 N 0.73 0.42 0.21 0.00 4.57 0.19 0.46 114.58 121.16 1jfj h GLU 111 Ca 0.16 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1jfj h GLU 111 Cb 0.28 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1jfj h GLU 111 CO -0.00 1.00 -0.10 0.37 -1.18 0.00 0.00 179.01 179.09 1jfj h GLN 112 N 0.28 -0.27 -0.28 1.92 5.75 -0.39 -0.15 115.11 121.96 1jfj h GLN 112 Ca -0.04 0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 1jfj h GLN 112 Cb 1.34 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.94 1jfj h GLN 112 CO 0.13 0.03 -0.16 -0.24 -2.65 0.00 0.00 178.83 175.94 1jfj h VAL 113 N -0.59 1.24 -0.74 2.39 3.04 -0.98 0.04 116.25 120.65 1jfj h VAL 113 Ca -0.03 -1.09 -0.03 0.00 -1.01 0.00 0.00 66.70 64.54 1jfj h VAL 113 Cb 0.43 1.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.88 1jfj h VAL 113 CO 0.05 0.35 0.34 -0.03 -1.01 0.00 0.00 177.57 177.27 1jfj h MET 114 N 0.45 1.08 -0.01 4.17 1.85 -0.77 0.98 114.93 122.68 1jfj h MET 114 Ca 0.08 -0.17 -0.18 0.00 -0.61 0.00 0.00 59.70 58.82 1jfj h MET 114 Cb 0.54 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 1jfj h MET 114 CO 0.03 0.86 -0.79 0.87 -0.40 0.00 0.00 176.91 177.49 1jfj h LYS 115 N 1.05 0.16 -0.25 0.39 1.57 -0.65 -3.19 116.57 115.66 1jfj h LYS 115 Ca 0.25 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1jfj h LYS 115 Cb 0.15 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1jfj h LYS 115 CO -0.03 0.87 0.05 0.00 -0.57 0.00 0.00 179.45 179.77 1jfj h ALA 116 N 1.08 0.33 -0.16 3.86 0.00 -0.45 -3.22 119.26 120.70 1jfj h ALA 116 Ca -0.03 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1jfj h ALA 116 Cb 1.38 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1jfj h ALA 116 CO 0.12 -0.01 -0.13 0.22 0.00 0.00 0.00 179.25 179.45 1jfj h ASP 117 N 0.22 -0.46 -4.37 0.00 3.58 -0.80 -3.43 116.42 111.16 1jfj h ASP 117 Ca 0.08 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 1jfj h ASP 117 Cb 0.30 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1jfj h ASP 117 CO 0.00 -0.07 -0.10 0.00 -2.88 0.00 0.00 179.24 176.19 1jfj n ALA 118 N -2.93 -0.85 -0.07 -0.78 0.00 -1.22 -4.68 120.51 109.98 1jfj n ALA 118 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1jfj n ALA 118 Cb 0.07 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.42 2.69 0.00 0.00 5.03 -1.26 -5.08 115.26 115.23 1jfj n ASN 119 Ca -0.05 -0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.35 1jfj n ASN 119 Cb 0.50 -0.25 0.00 0.00 -1.02 0.00 0.00 39.78 39.01 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 2.73 0.78 0.29 7.41 0.00 -1.26 -5.04 105.19 110.10 1jfj n GLY 120 Ca -0.27 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -5.01 116.55 117.64 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 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -1.00 0.64 3.51 6.12 0.00 -1.26 -5.02 105.19 108.18 1jfj n GLY 122 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 2.24 0.15 1.61 2.02 -1.26 -0.91 117.35 119.20 1jfj s TYR 123 Ca 0.00 -0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 55.85 1jfj s TYR 123 Cb 0.00 -1.38 0.05 0.00 -0.40 0.00 0.00 41.96 40.23 1jfj s TYR 123 CO 0.00 0.39 0.50 -1.50 -1.57 0.00 0.00 175.55 173.37 1jfj s ILE 124 N -2.84 0.04 0.26 2.71 2.07 0.14 -4.92 121.20 118.65 1jfj s ILE 124 Ca 0.33 -0.42 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 1jfj s ILE 124 Cb 0.05 -1.20 -0.01 0.00 0.13 0.00 0.00 42.46 41.44 1jfj s ILE 124 CO 0.15 -0.16 0.08 0.35 -1.91 0.00 0.00 174.94 173.45 1jfj n THR 125 N -0.30 0.00 -0.02 4.00 -2.24 -1.26 0.01 114.28 114.46 1jfj n THR 125 Ca -0.15 -1.48 -0.16 0.00 -2.27 0.00 0.00 64.05 59.99 1jfj n THR 125 Cb 0.64 0.50 -0.09 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.48 -0.25 3.22 -0.00 -1.95 -1.60 115.31 115.20 1jfj h LEU 126 Ca -0.21 -0.67 -0.02 0.00 -0.00 0.00 0.00 57.88 56.99 1jfj h LEU 126 Cb 0.76 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 1jfj h LEU 126 CO 0.33 1.08 0.10 -0.08 -0.00 0.00 0.00 178.44 179.86 1jfj h GLU 127 N -0.09 0.37 -0.90 1.13 4.22 -1.97 0.87 114.58 118.21 1jfj h GLU 127 Ca -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1jfj h GLU 127 Cb 1.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 1jfj h GLU 127 CO 0.09 0.42 0.56 1.49 -2.18 0.00 0.00 179.01 179.39 1jfj h GLU 128 N 0.25 1.21 -0.09 1.92 4.81 -1.97 -1.04 114.58 119.67 1jfj h GLU 128 Ca 0.08 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1jfj h GLU 128 Cb 0.19 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1jfj h GLU 128 CO -0.01 0.83 -0.46 0.35 -0.73 0.00 0.00 179.01 179.00 1jfj h PHE 129 N 1.24 0.26 0.20 0.92 3.57 -0.94 0.18 116.94 122.35 1jfj h PHE 129 Ca 0.33 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1jfj h PHE 129 Cb -0.09 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1jfj h PHE 129 CO 0.00 0.64 -0.09 1.25 -2.23 0.00 0.00 178.31 177.87 1jfj h LEU 130 N 0.18 -0.22 -0.45 0.59 6.46 0.13 -1.31 115.31 120.69 1jfj h LEU 130 Ca 0.01 -0.21 -0.06 0.00 -0.12 0.00 0.00 57.88 57.50 1jfj h LEU 130 Cb 0.88 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1jfj h LEU 130 CO 0.07 0.10 0.04 -0.08 -0.62 0.00 0.00 178.44 177.96 1jfj h GLU 131 N -0.57 0.76 -0.03 1.25 4.81 -1.19 -3.02 114.58 116.60 1jfj h GLU 131 Ca -0.03 -0.22 0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1jfj h GLU 131 Cb 0.42 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 1jfj h GLU 131 CO 0.04 0.80 -0.33 0.35 -0.73 0.00 0.00 179.01 179.14 1jfj h PHE 132 N 0.62 -0.92 -0.97 0.92 3.57 -0.62 0.96 116.94 120.50 1jfj h PHE 132 Ca 0.13 0.03 0.27 0.00 3.53 0.00 0.00 57.97 61.94 1jfj h PHE 132 Cb 0.43 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.53 1jfj h PHE 132 CO 0.03 -0.42 0.68 1.03 -2.23 0.00 0.00 178.31 177.41 1jfj h SER 133 N -0.47 0.10 0.00 0.41 0.87 -1.19 -3.51 113.55 109.76 1jfj h SER 133 Ca 0.07 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1jfj h SER 133 Cb 0.57 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1jfj h SER 133 CO -0.29 0.03 0.00 -0.11 -0.53 0.00 0.00 176.83 175.93