#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 -0.32 -1.36 3.04 0.00 -2.07 -3.21 119.26 115.34 1jfj h ALA 2 Ca 0.00 -0.10 0.39 0.00 0.00 0.00 0.00 54.91 55.20 1jfj h ALA 2 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1jfj h ALA 2 CO 0.00 -0.31 0.98 1.49 0.00 0.00 0.00 179.25 181.41 1jfj h GLU 3 N -1.06 0.00 -0.70 0.00 4.81 -2.00 1.45 114.58 117.08 1jfj h GLU 3 Ca -0.03 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1jfj h GLU 3 Cb 0.31 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1jfj h GLU 3 CO 0.05 0.00 0.46 0.00 -0.73 0.00 0.00 179.01 178.80 1jfj h ALA 4 N 1.32 1.66 0.62 2.92 0.00 -1.98 0.83 119.26 124.64 1jfj h ALA 4 Ca 0.65 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 1jfj h ALA 4 Cb 2.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 20.18 1jfj h ALA 4 CO -0.01 0.24 -0.30 -0.07 0.00 0.00 0.00 179.25 179.12 1jfj h LEU 5 N 0.78 -0.71 -1.44 0.00 3.38 0.19 0.24 115.31 117.75 1jfj h LEU 5 Ca 0.29 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.54 1jfj h LEU 5 Cb 0.17 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 1jfj h LEU 5 CO -0.09 -0.32 0.67 0.15 0.09 0.00 0.00 178.44 178.95 1jfj h PHE 6 N -1.21 0.58 -0.03 1.13 3.04 -1.35 0.55 116.94 119.65 1jfj h PHE 6 Ca -0.09 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 61.64 1jfj h PHE 6 Cb 0.65 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 39.01 1jfj h PHE 6 CO 0.00 0.07 -0.96 -0.22 -2.02 0.00 0.00 178.31 175.18 1jfj h LYS 7 N 0.36 0.65 0.75 1.11 1.63 -0.74 -3.09 116.57 117.24 1jfj h LYS 7 Ca 0.57 -0.65 -0.04 0.00 -0.85 0.00 0.00 60.65 59.68 1jfj h LYS 7 Cb 1.52 0.17 0.01 0.00 -0.60 0.00 0.00 32.23 33.33 1jfj h LYS 7 CO -0.25 1.25 -0.36 1.49 -3.45 0.00 0.00 179.45 178.13 1jfj h GLU 8 N 0.39 -0.97 -1.13 1.90 4.81 0.34 -2.35 114.58 117.57 1jfj h GLU 8 Ca -0.10 0.07 0.33 0.00 -0.13 0.00 0.00 59.36 59.53 1jfj h GLU 8 Cb 1.60 0.22 -0.11 0.00 0.63 0.00 0.00 28.75 31.09 1jfj h GLU 8 CO 0.18 -0.63 0.72 0.97 -0.73 0.00 0.00 179.01 179.52 1jfj h ILE 9 N -1.05 0.36 -0.21 2.32 6.09 -0.74 -3.04 117.51 121.23 1jfj h ILE 9 Ca -0.10 -0.10 -0.57 0.00 -1.37 0.00 0.00 64.86 62.73 1jfj h ILE 9 Cb 0.78 0.06 0.00 0.00 0.47 0.00 0.00 36.82 38.14 1jfj h ILE 9 CO 0.17 0.05 2.02 -0.67 -3.07 0.00 0.00 178.15 176.64 1jfj n ASP 10 N -4.69 3.03 -0.30 2.19 2.03 -0.88 -4.69 116.55 113.24 1jfj n ASP 10 Ca 0.30 -2.72 0.09 0.00 0.52 0.00 0.00 54.79 52.98 1jfj n ASP 10 Cb 1.08 -1.41 0.25 0.00 -0.72 0.00 0.00 41.12 40.32 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 5.02 0.67 -1.01 5.18 2.07 -1.75 0.44 116.25 126.87 1jfj h VAL 11 Ca 0.38 -0.20 0.24 0.00 0.82 0.00 0.00 66.70 67.94 1jfj h VAL 11 Cb 0.76 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1jfj h VAL 11 CO 1.69 0.11 0.62 0.78 0.02 0.00 0.00 177.57 180.79 1jfj h ASN 12 N 0.59 0.63 -3.51 0.57 4.21 -1.90 -3.46 115.58 112.71 1jfj h ASN 12 Ca 0.49 0.11 -0.10 0.00 1.21 0.00 0.00 56.30 58.02 1jfj h ASN 12 Cb 0.76 0.01 0.06 0.00 -1.12 0.00 0.00 38.32 38.03 1jfj h ASN 12 CO -0.40 0.13 -0.27 0.61 -1.29 0.00 0.00 177.43 176.22 1jfj n GLY 13 N -1.36 0.20 0.03 2.83 0.00 0.15 -4.98 105.19 102.07 1jfj n GLY 13 Ca 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.89 2.49 0.00 1.61 5.68 -1.26 -5.00 116.55 118.18 1jfj n ASP 14 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1jfj n ASP 14 Cb 0.55 1.03 0.00 0.00 -1.14 0.00 0.00 41.12 41.55 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 15 N 2.19 0.95 3.20 6.12 0.00 -1.26 -5.08 105.19 111.31 1jfj n GLY 15 Ca -0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 1.23 0.43 4.61 0.00 -1.26 -3.63 121.76 121.14 1jfj s ALA 16 Ca 0.00 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.70 1jfj s ALA 16 Cb 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1jfj s ALA 16 CO 0.00 -0.08 0.02 0.54 0.00 0.00 0.00 175.76 176.24 1jfj s VAL 17 N -2.91 1.86 0.28 0.00 0.11 0.18 -4.85 120.40 115.07 1jfj s VAL 17 Ca 0.10 -1.98 0.04 0.00 -2.93 0.00 0.00 61.98 57.21 1jfj s VAL 17 Cb 0.00 -2.85 -0.01 0.00 -1.53 0.00 0.00 36.38 31.99 1jfj s VAL 17 CO -0.00 0.00 0.13 -1.54 -3.33 0.00 0.00 175.10 170.35 1jfj n SER 18 N -1.04 0.78 0.04 3.54 3.41 -1.26 -0.54 113.62 118.54 1jfj n SER 18 Ca -0.07 -2.58 -0.07 0.00 -0.26 0.00 0.00 58.87 55.89 1jfj n SER 18 Cb 0.67 0.85 0.10 0.00 -0.26 0.00 0.00 64.21 65.57 1jfj n SER 18 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1jfj h TYR 19 N 1.55 0.53 -0.06 7.33 3.20 -1.81 0.20 116.97 127.91 1jfj h TYR 19 Ca -0.22 -0.19 -0.22 0.00 3.14 0.00 0.00 58.73 61.25 1jfj h TYR 19 Cb 0.88 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1jfj h TYR 19 CO 0.00 0.87 -0.85 0.93 -1.64 0.00 0.00 178.16 177.47 1jfj h GLU 20 N 0.33 0.53 -0.07 1.82 5.08 -1.97 -1.32 114.58 118.99 1jfj h GLU 20 Ca 0.01 -0.49 -0.11 0.00 -1.00 0.00 0.00 59.36 57.76 1jfj h GLU 20 Cb 1.05 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.43 1jfj h GLU 20 CO 0.09 1.13 -0.39 0.93 -1.00 0.00 0.00 179.01 179.77 1jfj h GLU 21 N 0.34 0.38 -0.31 2.33 5.08 -1.94 -0.26 114.58 120.20 1jfj h GLU 21 Ca -0.06 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1jfj h GLU 21 Cb 1.47 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1jfj h GLU 21 CO 0.16 0.97 0.18 -0.24 -1.00 0.00 0.00 179.01 179.08 1jfj h VAL 22 N -0.10 1.11 -0.63 3.13 3.04 -0.66 0.46 116.25 122.60 1jfj h VAL 22 Ca -0.03 -0.27 -0.06 0.00 -1.01 0.00 0.00 66.70 65.33 1jfj h VAL 22 Cb 1.06 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 1jfj h VAL 22 CO 0.08 0.11 0.16 0.07 -1.01 0.00 0.00 177.57 176.98 1jfj h LYS 23 N 0.40 0.98 -0.54 4.17 2.10 -1.28 -0.66 116.57 121.73 1jfj h LYS 23 Ca 0.11 -0.21 -0.09 0.00 -2.00 0.00 0.00 60.65 58.46 1jfj h LYS 23 Cb 0.02 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.19 1jfj h LYS 23 CO -0.02 0.86 -0.01 0.00 -2.00 0.00 0.00 179.45 178.29 1jfj h ALA 24 N 1.23 0.97 0.80 0.07 0.00 -0.37 -0.38 119.26 121.59 1jfj h ALA 24 Ca 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jfj h ALA 24 Cb 0.33 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jfj h ALA 24 CO -0.00 0.62 -0.38 0.35 0.00 0.00 0.00 179.25 179.84 1jfj h PHE 25 N 0.85 -0.99 -0.83 0.00 3.04 0.56 0.19 116.94 119.76 1jfj h PHE 25 Ca 0.16 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.22 1jfj h PHE 25 Cb 0.51 0.33 -0.09 0.00 2.56 0.00 0.00 35.95 39.26 1jfj h PHE 25 CO 0.03 -0.62 0.41 -0.24 -2.02 0.00 0.00 178.31 175.88 1jfj h VAL 26 N -1.26 0.73 -0.25 1.41 3.04 -1.14 0.40 116.25 119.18 1jfj h VAL 26 Ca -0.11 -0.21 -0.05 0.00 -1.01 0.00 0.00 66.70 65.32 1jfj h VAL 26 Cb 0.82 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 1jfj h VAL 26 CO 0.18 0.11 -0.06 0.77 -1.01 0.00 0.00 177.57 177.56 1jfj h SER 27 N 0.60 0.36 -1.31 3.17 4.64 -0.97 -2.09 113.55 117.96 1jfj h SER 27 Ca 0.45 -0.07 0.38 0.00 -0.47 0.00 0.00 61.79 62.08 1jfj h SER 27 Cb 0.62 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 62.53 1jfj h SER 27 CO -0.36 0.47 0.91 0.50 -0.87 0.00 0.00 176.83 177.49 1jfj h LYS 28 N 0.37 0.10 0.02 4.77 3.64 0.30 -1.62 116.57 124.15 1jfj h LYS 28 Ca 0.08 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1jfj h LYS 28 Cb 0.35 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1jfj h LYS 28 CO 0.02 0.07 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.03 1jfj h LYS 29 N 0.10 -0.03 0.00 1.90 1.63 -1.37 -3.50 116.57 115.31 1jfj h LYS 29 Ca 0.68 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.49 1jfj h LYS 29 Cb 2.42 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 34.05 1jfj h LYS 29 CO -0.15 -0.02 0.00 0.54 -3.45 0.00 0.00 179.45 176.37 1jfj n ARG 30 N -2.30 0.00 -3.16 1.90 1.74 -0.61 -5.11 116.66 109.13 1jfj n ARG 30 Ca -0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 1jfj n ARG 30 Cb 0.01 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.40 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 2.11 -1.49 7.54 0.00 -1.26 -4.11 120.51 120.30 1jfj n ALA 31 Ca 0.00 -3.27 -0.33 0.00 0.00 0.00 0.00 53.44 49.84 1jfj n ALA 31 Cb 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 18.65 1jfj n ALA 31 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1jfj n ILE 32 N 1.20 3.41 -2.38 0.00 -5.35 -1.26 -4.78 119.36 110.20 1jfj n ILE 32 Ca 0.21 -3.23 -0.01 0.00 -0.27 0.00 0.00 62.75 59.45 1jfj n ILE 32 Cb 0.56 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 37.31 1jfj n ILE 32 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1jfj n LYS 33 N -0.87 -0.26 0.25 6.28 4.81 -1.26 -4.93 118.16 122.18 1jfj n LYS 33 Ca 0.59 0.04 0.08 0.00 -0.87 0.00 0.00 58.31 58.15 1jfj n LYS 33 Cb 0.71 -2.96 0.62 0.00 0.02 0.00 0.00 35.03 33.43 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1jfj h ASN 34 N -0.08 0.00 0.51 3.14 7.08 -1.89 -1.00 115.58 123.34 1jfj h ASN 34 Ca -0.02 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.18 1jfj h ASN 34 Cb 1.02 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.25 1jfj h ASN 34 CO 0.03 0.09 -0.35 -0.33 -2.08 0.00 0.00 177.43 174.79 1jfj h GLU 35 N 0.00 -0.80 0.64 4.14 5.08 -1.91 0.52 114.58 122.25 1jfj h GLU 35 Ca -0.00 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1jfj h GLU 35 Cb 0.18 0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1jfj h GLU 35 CO 0.01 -0.53 -0.31 0.37 -1.00 0.00 0.00 179.01 177.55 1jfj h GLN 36 N -0.83 -0.83 -0.75 2.33 4.15 -1.88 0.20 115.11 117.50 1jfj h GLN 36 Ca -0.06 0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.55 1jfj h GLN 36 Cb 0.69 0.19 -0.14 0.00 0.21 0.00 0.00 27.48 28.44 1jfj h GLN 36 CO 0.03 -0.55 -0.32 1.25 -1.93 0.00 0.00 178.83 177.31 1jfj h LEU 37 N -1.14 -1.14 -1.27 -2.39 7.12 -1.24 1.33 115.31 116.58 1jfj h LEU 37 Ca -0.09 0.25 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 1jfj h LEU 37 Cb 0.66 0.61 -0.03 0.00 -0.53 0.00 0.00 40.66 41.37 1jfj h LEU 37 CO 0.15 -0.29 0.33 0.25 -0.13 0.00 0.00 178.44 178.75 1jfj h LEU 38 N -0.08 0.74 -1.46 2.25 6.46 0.06 -0.75 115.31 122.52 1jfj h LEU 38 Ca 0.30 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 1jfj h LEU 38 Cb 0.57 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1jfj h LEU 38 CO -0.80 0.60 0.15 -0.61 -0.62 0.00 0.00 178.44 177.16 1jfj h GLN 39 N 0.84 0.51 0.42 1.25 4.15 0.48 0.85 115.11 123.61 1jfj h GLN 39 Ca 0.22 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1jfj h GLN 39 Cb 0.02 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1jfj h GLN 39 CO -0.04 0.42 -0.20 -0.07 -1.93 0.00 0.00 178.83 177.01 1jfj h LEU 40 N 0.51 -0.48 0.67 -2.39 3.38 0.11 -0.73 115.31 116.38 1jfj h LEU 40 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1jfj h LEU 40 Cb 0.09 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jfj h LEU 40 CO -0.01 -0.09 -0.49 -0.29 0.09 0.00 0.00 178.44 177.65 1jfj h ILE 41 N -1.07 0.00 -0.63 1.22 6.09 -1.19 0.35 117.51 122.28 1jfj h ILE 41 Ca -0.06 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.55 1jfj h ILE 41 Cb 0.43 0.00 -0.12 0.00 0.47 0.00 0.00 36.82 37.60 1jfj h ILE 41 CO 0.09 0.00 -0.24 0.15 -3.07 0.00 0.00 178.15 175.08 1jfj h PHE 42 N -1.10 -0.60 -0.67 2.19 3.57 0.59 0.94 116.94 121.86 1jfj h PHE 42 Ca -0.09 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.58 1jfj h PHE 42 Cb 0.91 0.36 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 1jfj h PHE 42 CO -0.16 -0.33 0.44 -0.22 -2.23 0.00 0.00 178.31 175.81 1jfj h LYS 43 N -0.08 0.49 0.40 1.11 3.64 -0.85 1.89 116.57 123.18 1jfj h LYS 43 Ca 0.28 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1jfj h LYS 43 Cb 0.52 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1jfj h LYS 43 CO -0.68 0.33 -0.19 0.77 -2.27 0.00 0.00 179.45 177.41 1jfj h SER 44 N 0.51 -0.45 -0.58 4.20 0.02 0.28 -2.96 113.55 114.57 1jfj h SER 44 Ca 0.31 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.32 1jfj h SER 44 Cb 0.53 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.14 1jfj h SER 44 CO -0.10 -0.10 0.32 0.16 -1.14 0.00 0.00 176.83 175.98 1jfj h ILE 45 N -0.98 0.99 -3.54 3.27 -0.00 0.26 -3.34 117.51 114.17 1jfj h ILE 45 Ca -0.05 -0.21 -0.69 0.00 -0.00 0.00 0.00 64.86 63.91 1jfj h ILE 45 Cb 0.41 0.32 -0.35 0.00 -0.00 0.00 0.00 36.82 37.19 1jfj h ILE 45 CO 0.09 0.11 -0.59 -0.62 -0.00 0.00 0.00 178.15 177.14 1jfj s ASP 46 N -5.57 5.16 0.00 2.16 -1.08 0.64 -4.85 116.67 113.13 1jfj s ASP 46 Ca -0.13 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 49.90 1jfj s ASP 46 Cb 0.15 -1.79 0.00 0.00 -1.46 0.00 0.00 42.92 39.82 1jfj s ASP 46 CO 0.75 -0.50 0.72 0.00 0.52 0.00 0.00 175.17 176.66 1jfj n ALA 47 N 4.54 2.16 -0.57 3.66 0.00 -1.12 -3.88 120.51 125.29 1jfj n ALA 47 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 1jfj n ALA 47 Cb 0.42 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.23 5.31 -3.77 0.00 5.68 -1.26 -4.83 116.55 117.45 1jfj n ASP 48 Ca 0.00 -2.94 -0.30 0.00 -0.50 0.00 0.00 54.79 51.06 1jfj n ASP 48 Cb 0.14 -0.91 -0.06 0.00 -1.14 0.00 0.00 41.12 39.14 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 0.14 -0.25 0.11 6.12 0.00 -1.26 -4.72 105.19 105.33 1jfj n GLY 49 Ca 0.29 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.70 0.84 -1.51 1.61 4.05 -1.26 -4.95 115.26 112.34 1jfj n ASN 50 Ca 0.01 0.07 -0.08 0.00 0.45 0.00 0.00 54.58 55.03 1jfj n ASN 50 Cb 0.37 0.28 -0.03 0.00 1.23 0.00 0.00 39.78 41.64 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 1.86 0.49 2.90 8.20 0.00 -1.26 -4.86 105.19 112.52 1jfj n GLY 51 Ca -0.33 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.21 0.08 0.53 1.61 2.02 -1.26 -2.08 118.70 116.38 1jfj s GLU 52 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.60 1jfj s GLU 52 Cb 0.00 -0.19 -0.00 0.00 0.10 0.00 0.00 34.13 34.04 1jfj s GLU 52 CO 0.00 -0.29 0.00 0.96 0.02 0.00 0.00 175.26 175.96 1jfj s ILE 53 N 2.23 1.04 0.31 -1.63 -4.36 0.30 -4.98 121.20 114.11 1jfj s ILE 53 Ca 0.01 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1jfj s ILE 53 Cb -0.12 -2.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1jfj s ILE 53 CO -0.07 0.00 0.11 -0.90 0.24 0.00 0.00 174.94 174.32 1jfj n ASP 54 N -1.31 1.20 -0.13 4.36 5.68 -1.26 0.50 116.55 125.59 1jfj n ASP 54 Ca -0.21 -2.62 -0.04 0.00 -0.50 0.00 0.00 54.79 51.42 1jfj n ASP 54 Cb 0.67 0.76 0.03 0.00 -1.14 0.00 0.00 41.12 41.44 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 0.06 0.65 0.11 -0.00 -1.94 1.56 115.11 115.55 1jfj h GLN 55 Ca -0.24 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.38 1jfj h GLN 55 Cb 0.91 -0.01 0.01 0.00 -0.00 0.00 0.00 27.48 28.38 1jfj h GLN 55 CO 0.38 0.04 -0.31 -0.97 -0.00 0.00 0.00 178.83 177.97 1jfj h ASN 56 N 0.06 -0.74 -0.97 0.06 -1.24 -1.96 0.31 115.58 111.10 1jfj h ASN 56 Ca 0.21 0.01 0.25 0.00 0.71 0.00 0.00 56.30 57.48 1jfj h ASN 56 Cb 0.31 0.19 -0.07 0.00 0.73 0.00 0.00 38.32 39.49 1jfj h ASN 56 CO -0.39 -0.35 0.65 -0.08 -1.29 0.00 0.00 177.43 175.97 1jfj h GLU 57 N -1.20 0.27 -0.03 6.67 4.81 -1.88 0.10 114.58 123.33 1jfj h GLU 57 Ca -0.09 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 1jfj h GLU 57 Cb 0.68 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1jfj h GLU 57 CO 0.15 0.18 -0.47 0.35 -0.73 0.00 0.00 179.01 178.48 1jfj h PHE 58 N 0.28 0.54 -0.85 0.92 3.04 0.24 -1.24 116.94 119.87 1jfj h PHE 58 Ca 0.51 -0.27 0.14 0.00 3.98 0.00 0.00 57.97 62.33 1jfj h PHE 58 Cb 1.49 -0.07 -0.09 0.00 2.56 0.00 0.00 35.95 39.84 1jfj h PHE 58 CO -0.00 1.06 0.45 0.00 -2.02 0.00 0.00 178.31 177.79 1jfj h ALA 59 N 0.36 1.29 -0.06 2.41 0.00 0.21 0.36 119.26 123.82 1jfj h ALA 59 Ca -0.05 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1jfj h ALA 59 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1jfj h ALA 59 CO 0.09 -0.08 -0.11 -0.22 0.00 0.00 0.00 179.25 178.94 1jfj h LYS 60 N 0.64 0.18 -0.82 0.00 1.63 -1.25 -2.43 116.57 114.51 1jfj h LYS 60 Ca 0.46 -0.11 0.19 0.00 -0.85 0.00 0.00 60.65 60.34 1jfj h LYS 60 Cb 0.64 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.23 1jfj h LYS 60 CO -0.36 0.69 0.55 0.35 -3.45 0.00 0.00 179.45 177.24 1jfj h PHE 61 N -0.30 0.43 -0.16 1.91 3.57 0.07 0.35 116.94 122.81 1jfj h PHE 61 Ca 0.00 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 1jfj h PHE 61 Cb 0.68 -0.13 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1jfj h PHE 61 CO 0.11 0.13 -0.64 -0.92 -2.23 0.00 0.00 178.31 174.77 1jfj h TYR 62 N 0.34 0.95 -2.40 0.41 3.20 -0.25 -3.34 116.97 115.87 1jfj h TYR 62 Ca 0.41 -0.40 -0.69 0.00 3.14 0.00 0.00 58.73 61.20 1jfj h TYR 62 Cb 1.10 -0.15 -0.36 0.00 1.54 0.00 0.00 36.73 38.86 1jfj h TYR 62 CO -0.00 1.21 0.02 0.41 -1.64 0.00 0.00 178.16 178.16 1jfj n GLY 63 N 0.64 5.32 3.26 1.82 0.00 0.04 -4.96 105.19 111.31 1jfj n GLY 63 Ca -0.07 -2.72 -0.41 0.00 0.00 0.00 0.00 46.02 42.81 1jfj n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfj n SER 64 N 0.56 2.17 0.16 1.61 2.88 -0.77 -4.62 113.62 115.62 1jfj n SER 64 Ca 0.32 -2.63 0.19 0.00 -1.33 0.00 0.00 58.87 55.42 1jfj n SER 64 Cb 0.36 -1.05 0.78 0.00 -0.75 0.00 0.00 64.21 63.55 1jfj n SER 64 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1jfj h ILE 65 N 4.84 0.31 0.67 2.46 3.07 -1.93 -1.02 117.51 125.91 1jfj h ILE 65 Ca 0.35 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.73 1jfj h ILE 65 Cb 0.71 0.68 0.01 0.00 -0.27 0.00 0.00 36.82 37.95 1jfj h ILE 65 CO 1.88 0.00 -0.32 1.56 -1.05 0.00 0.00 178.15 180.22 1jfj h GLN 66 N 0.00 -0.87 0.00 0.16 4.20 -1.96 -3.49 115.11 113.15 1jfj h GLN 66 Ca 0.14 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1jfj h GLN 66 Cb 0.90 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1jfj h GLN 66 CO -0.00 -0.54 0.00 0.41 -0.67 0.00 0.00 178.83 178.03 1jfj n GLY 67 N -1.03 2.63 2.87 3.46 0.00 -0.39 -5.12 105.19 107.62 1jfj n GLY 67 Ca -0.13 -1.83 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1jfj n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jfj s GLN 68 N -1.76 0.05 0.50 1.61 -2.07 -1.26 -4.99 119.66 111.73 1jfj s GLN 68 Ca 0.00 0.36 -0.06 0.00 -1.82 0.00 0.00 55.36 53.84 1jfj s GLN 68 Cb 0.00 -0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.66 1jfj s GLN 68 CO 0.00 -0.20 0.82 0.34 -1.32 0.00 0.00 175.29 174.93 1jfj s ASP 69 N 1.38 6.28 -0.44 12.60 2.15 -1.26 -5.03 116.67 132.35 1jfj s ASP 69 Ca -0.07 1.01 0.09 0.00 0.43 0.00 0.00 52.55 54.02 1jfj s ASP 69 Cb -0.12 -2.28 0.39 0.00 -0.30 0.00 0.00 42.92 40.60 1jfj s ASP 69 CO -0.05 -0.61 0.94 0.18 -0.17 0.00 0.00 175.17 175.46 1jfj n LEU 70 N -2.26 3.10 0.10 -1.34 4.32 -1.26 -4.83 117.00 114.83 1jfj n LEU 70 Ca 0.01 -5.02 -0.06 0.00 -0.02 0.00 0.00 56.01 50.93 1jfj n LEU 70 Cb 0.55 -0.04 0.06 0.00 -1.62 0.00 0.00 43.42 42.37 1jfj n LEU 70 CO 0.53 2.15 0.36 0.77 -1.22 0.00 0.00 177.39 179.99 1jfj h SER 71 N 2.88 0.16 0.14 -1.43 4.64 -2.01 -2.93 113.55 115.01 1jfj h SER 71 Ca 0.12 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1jfj h SER 71 Cb 0.85 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1jfj h SER 71 CO 0.69 0.85 -0.14 0.44 -0.87 0.00 0.00 176.83 177.80 1jfj h ASP 72 N 0.08 0.00 -0.77 4.97 3.32 -1.98 -0.49 116.42 121.55 1jfj h ASP 72 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1jfj h ASP 72 Cb 1.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1jfj h ASP 72 CO 0.11 0.14 0.39 -0.78 -1.72 0.00 0.00 179.24 177.38 1jfj h ASP 73 N 0.00 1.00 0.05 6.45 3.58 -1.91 0.55 116.42 126.15 1jfj h ASP 73 Ca -0.00 -0.11 -0.24 0.00 0.42 0.00 0.00 57.03 57.10 1jfj h ASP 73 Cb 0.25 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.06 1jfj h ASP 73 CO 0.02 0.84 -0.94 0.11 -2.88 0.00 0.00 179.24 176.39 1jfj h LYS 74 N 1.10 0.65 -0.21 0.28 1.57 -1.31 -3.02 116.57 115.63 1jfj h LYS 74 Ca 0.27 -0.64 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1jfj h LYS 74 Cb 0.09 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1jfj h LYS 74 CO -0.04 1.24 0.12 0.82 -0.57 0.00 0.00 179.45 181.03 1jfj h ILE 75 N 0.39 1.07 0.53 1.86 2.04 -0.57 -0.59 117.51 122.23 1jfj h ILE 75 Ca -0.09 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1jfj h ILE 75 Cb 1.58 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1jfj h ILE 75 CO 0.18 0.07 -0.25 1.23 0.00 0.00 0.00 178.15 179.38 1jfj h GLY 76 N 0.33 -0.74 0.97 5.37 0.00 -0.80 0.43 103.07 108.64 1jfj h GLY 76 Ca 0.08 0.27 0.09 0.00 0.00 0.00 0.00 47.33 47.77 1jfj h GLY 76 CO -0.01 -0.27 0.45 -2.00 0.00 0.00 0.00 176.54 174.71 1jfj h LEU 77 N -0.97 0.49 0.05 3.11 6.46 -1.37 -0.92 115.31 122.17 1jfj h LEU 77 Ca -0.07 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1jfj h LEU 77 Cb 0.62 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1jfj h LEU 77 CO 0.12 0.30 -0.02 0.50 -0.62 0.00 0.00 178.44 178.72 1jfj h LYS 78 N 0.55 -0.06 -0.03 1.25 3.64 -0.94 -0.04 116.57 120.94 1jfj h LYS 78 Ca 0.31 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1jfj h LYS 78 Cb 0.48 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1jfj h LYS 78 CO -0.10 0.18 -0.39 0.28 -2.27 0.00 0.00 179.45 177.14 1jfj h VAL 79 N -0.29 0.19 0.15 2.00 2.07 0.36 0.70 116.25 121.42 1jfj h VAL 79 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1jfj h VAL 79 Cb 0.27 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1jfj h VAL 79 CO 0.01 0.00 -0.53 -0.07 0.02 0.00 0.00 177.57 177.00 1jfj h LEU 80 N -0.53 -1.58 -1.55 2.57 3.38 -1.18 0.28 115.31 116.70 1jfj h LEU 80 Ca 0.06 0.16 0.39 0.00 0.09 0.00 0.00 57.88 58.58 1jfj h LEU 80 Cb 0.62 0.58 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 1jfj h LEU 80 CO -0.32 -0.56 0.87 1.88 0.09 0.00 0.00 178.44 180.39 1jfj h TYR 81 N -0.77 0.42 -0.00 1.13 -1.99 -0.51 0.59 116.97 115.83 1jfj h TYR 81 Ca -0.01 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 1jfj h TYR 81 Cb 0.76 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.38 1jfj h TYR 81 CO -0.44 -0.08 -0.02 -0.22 -0.00 0.00 0.00 178.16 177.39 1jfj h LYS 82 N 0.14 0.02 0.01 4.88 3.11 0.15 -3.02 116.57 121.86 1jfj h LYS 82 Ca 0.73 -0.02 0.03 0.00 -2.81 0.00 0.00 60.65 58.59 1jfj h LYS 82 Cb 2.38 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 33.57 1jfj h LYS 82 CO -0.28 0.70 -0.33 1.25 -2.81 0.00 0.00 179.45 177.98 1jfj h LEU 83 N -0.65 -0.98 -0.77 5.20 5.85 0.34 -2.24 115.31 122.06 1jfj h LEU 83 Ca -0.00 0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1jfj h LEU 83 Cb 0.70 0.39 -0.13 0.00 0.37 0.00 0.00 40.66 41.99 1jfj h LEU 83 CO 0.00 -0.39 -0.38 0.24 -0.34 0.00 0.00 178.44 177.57 1jfj h MET 84 N -0.49 -0.10 -5.42 1.25 2.86 -0.69 -3.32 114.93 109.03 1jfj h MET 84 Ca 0.06 0.01 -0.21 0.00 -2.06 0.00 0.00 59.70 57.50 1jfj h MET 84 Cb 0.57 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1jfj h MET 84 CO -0.26 -0.07 0.78 -3.47 1.06 0.00 0.00 176.91 174.95 1jfj n ASP 85 N -5.44 1.80 0.04 1.22 2.03 -0.84 -4.66 116.55 110.70 1jfj n ASP 85 Ca 0.06 -1.03 0.01 0.00 0.52 0.00 0.00 54.79 54.35 1jfj n ASP 85 Cb 0.37 -1.56 -0.07 0.00 -0.72 0.00 0.00 41.12 39.14 1jfj n ASP 85 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1jfj h VAL 86 N 7.68 0.47 -0.96 5.18 2.07 -1.81 -3.33 116.25 125.55 1jfj h VAL 86 Ca -0.09 -1.92 0.12 0.00 0.82 0.00 0.00 66.70 65.64 1jfj h VAL 86 Cb 1.12 2.00 -0.09 0.00 -1.52 0.00 0.00 31.29 32.81 1jfj h VAL 86 CO 1.10 0.27 0.58 0.44 0.02 0.00 0.00 177.57 179.98 1jfj h ASP 87 N 0.00 0.83 -1.94 0.57 5.19 -1.93 -3.47 116.42 115.66 1jfj h ASP 87 Ca -0.14 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1jfj h ASP 87 Cb 1.53 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.93 1jfj h ASP 87 CO 0.04 0.43 0.00 0.61 -3.12 0.00 0.00 179.24 177.20 1jfj n GLY 88 N -1.34 -1.91 1.64 2.75 0.00 -1.25 -5.06 105.19 100.02 1jfj n GLY 88 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1jfj n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jfj n ASP 89 N 0.00 0.00 0.00 1.61 5.68 -1.26 -5.05 116.55 117.53 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 0.00 0.40 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 -1.46 1.81 3.27 6.12 0.00 -1.26 -5.11 105.19 108.56 1jfj n GLY 90 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.74 0.98 0.15 1.61 -2.85 -1.26 -3.27 119.74 114.36 1jfj s LYS 91 Ca 0.00 -0.94 -0.01 0.00 -1.00 0.00 0.00 55.97 54.02 1jfj s LYS 91 Cb 0.00 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1jfj s LYS 91 CO 0.00 -0.34 0.07 -0.51 0.10 0.00 0.00 175.35 174.66 1jfj s LEU 92 N -2.87 1.68 0.48 2.77 1.02 0.44 -4.96 118.68 117.24 1jfj s LEU 92 Ca 0.07 -1.24 0.02 0.00 0.02 0.00 0.00 54.13 53.00 1jfj s LEU 92 Cb 0.04 0.28 -0.02 0.00 0.02 0.00 0.00 46.19 46.51 1jfj s LEU 92 CO -0.09 -0.74 0.04 0.42 0.02 0.00 0.00 176.35 176.01 1jfj s THR 93 N -4.03 0.98 0.24 5.49 -4.23 -1.26 0.27 115.64 113.09 1jfj s THR 93 Ca 0.27 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 1jfj s THR 93 Cb 0.07 -2.23 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 1jfj s THR 93 CO 0.04 0.00 1.58 0.07 -0.54 0.00 0.00 174.62 175.77 1jfj h LYS 94 N 1.49 0.31 -0.00 3.99 2.10 -1.90 -1.94 116.57 120.63 1jfj h LYS 94 Ca -0.41 -0.19 -0.17 0.00 -2.00 0.00 0.00 60.65 57.88 1jfj h LYS 94 Cb 1.30 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 1jfj h LYS 94 CO 0.68 0.77 -0.78 0.93 -2.00 0.00 0.00 179.45 179.06 1jfj h GLU 95 N 0.24 0.05 -0.16 0.07 5.08 -1.96 0.32 114.58 118.22 1jfj h GLU 95 Ca 0.00 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1jfj h GLU 95 Cb 1.03 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1jfj h GLU 95 CO 0.09 0.80 -0.12 1.49 -1.00 0.00 0.00 179.01 180.27 1jfj h GLU 96 N 0.03 0.37 -0.18 2.33 4.81 -1.90 0.16 114.58 120.20 1jfj h GLU 96 Ca -0.01 -0.18 -0.19 0.00 -0.13 0.00 0.00 59.36 58.85 1jfj h GLU 96 Cb 1.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1jfj h GLU 96 CO 0.11 0.72 -0.64 0.28 -0.73 0.00 0.00 179.01 178.74 1jfj h VAL 97 N 0.02 1.31 0.01 0.32 2.07 -1.38 0.24 116.25 118.84 1jfj h VAL 97 Ca 0.03 -1.90 -0.00 0.00 0.82 0.00 0.00 66.70 65.65 1jfj h VAL 97 Cb 0.64 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1jfj h VAL 97 CO 0.03 0.60 -0.00 0.74 0.02 0.00 0.00 177.57 178.95 1jfj h THR 98 N 0.48 1.14 0.16 2.57 2.02 -0.89 -1.31 112.91 117.08 1jfj h THR 98 Ca -0.01 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1jfj h THR 98 Cb 1.23 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1jfj h THR 98 CO 0.13 0.11 -0.08 -1.28 0.37 0.00 0.00 175.52 174.77 1jfj h SER 99 N -0.19 -0.19 -0.78 4.18 0.87 -0.69 0.15 113.55 116.90 1jfj h SER 99 Ca -0.00 -0.29 0.17 0.00 -1.23 0.00 0.00 61.79 60.43 1jfj h SER 99 Cb 0.19 0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 62.05 1jfj h SER 99 CO 0.00 0.22 -0.13 0.15 -0.53 0.00 0.00 176.83 176.54 1jfj h PHE 100 N -0.63 -0.30 0.00 2.24 3.57 -0.53 0.50 116.94 121.79 1jfj h PHE 100 Ca -0.02 0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.39 1jfj h PHE 100 Cb 0.47 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 1jfj h PHE 100 CO 0.05 -0.32 -0.74 0.74 -2.23 0.00 0.00 178.31 175.82 1jfj h PHE 101 N 0.03 0.00 -1.01 0.41 0.04 -1.22 -3.09 116.94 112.09 1jfj h PHE 101 Ca 0.40 0.00 0.27 0.00 2.80 0.00 0.00 57.97 61.44 1jfj h PHE 101 Cb 0.65 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.74 1jfj h PHE 101 CO -0.56 0.74 0.70 -0.22 -0.60 0.00 0.00 178.31 178.36 1jfj h LYS 102 N 0.00 0.15 -0.16 1.51 1.63 0.30 1.79 116.57 121.78 1jfj h LYS 102 Ca -0.01 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 1jfj h LYS 102 Cb 1.33 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.91 1jfj h LYS 102 CO 0.10 0.10 -0.18 -0.22 -3.45 0.00 0.00 179.45 175.80 1jfj h LYS 103 N 0.15 0.27 0.00 1.90 3.11 -1.36 -3.17 116.57 117.48 1jfj h LYS 103 Ca 0.51 -0.07 -0.18 0.00 -2.81 0.00 0.00 60.65 58.09 1jfj h LYS 103 Cb 1.72 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 32.90 1jfj h LYS 103 CO -0.10 0.45 -1.00 0.45 -2.81 0.00 0.00 179.45 176.44 1jfj h HIS 104 N 0.25 0.00 0.00 1.91 3.86 0.21 -3.49 115.15 117.89 1jfj h HIS 104 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1jfj h HIS 104 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 1jfj h HIS 104 CO 0.01 1.32 0.00 0.41 0.86 0.00 0.00 177.93 180.52 1jfj n GLY 105 N 1.48 1.53 3.29 2.45 0.00 0.32 -5.03 105.19 109.23 1jfj n GLY 105 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 2.32 0.11 -0.61 3.06 -1.23 -4.59 119.36 118.41 1jfj n ILE 106 Ca 0.00 -2.23 -0.03 0.00 -2.50 0.00 0.00 62.75 57.99 1jfj n ILE 106 Cb 0.00 -2.30 0.07 0.00 0.54 0.00 0.00 39.64 37.94 1jfj n ILE 106 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1jfj h GLU 107 N 8.29 0.01 -0.79 9.51 4.81 -1.93 -3.30 114.58 131.18 1jfj h GLU 107 Ca 0.37 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.67 1jfj h GLU 107 Cb 0.79 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.06 1jfj h GLU 107 CO 1.62 0.76 -0.57 0.87 -0.73 0.00 0.00 179.01 180.97 1jfj h LYS 108 N 0.00 -0.13 -0.75 1.92 1.57 -1.99 1.57 116.57 118.76 1jfj h LYS 108 Ca -0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1jfj h LYS 108 Cb 1.34 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 1jfj h LYS 108 CO 0.10 -0.09 0.39 -0.24 -0.57 0.00 0.00 179.45 179.04 1jfj h VAL 109 N -0.14 0.86 -0.24 0.50 3.04 -1.97 0.35 116.25 118.65 1jfj h VAL 109 Ca 0.14 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1jfj h VAL 109 Cb 0.48 0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 1jfj h VAL 109 CO -0.82 0.12 0.11 0.00 -1.01 0.00 0.00 177.57 175.97 1jfj h ALA 110 N 1.44 1.73 -0.25 3.17 0.00 0.28 0.37 119.26 125.99 1jfj h ALA 110 Ca 0.37 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 1jfj h ALA 110 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jfj h ALA 110 CO -0.26 0.22 -0.61 1.49 0.00 0.00 0.00 179.25 180.09 1jfj h GLU 111 N 0.34 0.86 -0.02 0.00 4.81 0.56 -0.37 114.58 120.76 1jfj h GLU 111 Ca 0.09 -0.59 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 1jfj h GLU 111 Cb 0.06 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1jfj h GLU 111 CO -0.01 1.21 -0.62 0.37 -0.73 0.00 0.00 179.01 179.23 1jfj h GLN 112 N 0.64 0.08 -0.14 1.92 5.75 0.17 -0.70 115.11 122.84 1jfj h GLN 112 Ca -0.00 -0.06 -0.22 0.00 -0.15 0.00 0.00 58.65 58.22 1jfj h GLN 112 Cb 1.23 0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.79 1jfj h GLN 112 CO 0.13 0.68 -0.78 0.28 -2.65 0.00 0.00 178.83 176.49 1jfj h VAL 113 N 0.06 1.29 -0.34 2.39 2.07 -0.22 0.11 116.25 121.62 1jfj h VAL 113 Ca -0.01 -2.01 -0.16 0.00 0.82 0.00 0.00 66.70 65.35 1jfj h VAL 113 Cb 1.11 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1jfj h VAL 113 CO 0.09 0.63 -0.41 -0.03 0.02 0.00 0.00 177.57 177.87 1jfj h MET 114 N 0.49 0.83 -0.00 1.57 1.85 -0.94 -1.90 114.93 116.83 1jfj h MET 114 Ca -0.05 -0.44 -0.16 0.00 -0.61 0.00 0.00 59.70 58.43 1jfj h MET 114 Cb 1.40 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.43 1jfj h MET 114 CO 0.16 1.08 -0.76 0.87 -0.40 0.00 0.00 176.91 177.86 1jfj h LYS 115 N 0.67 0.00 0.20 0.39 1.57 -1.12 -3.23 116.57 115.05 1jfj h LYS 115 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1jfj h LYS 115 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1jfj h LYS 115 CO 0.09 0.76 -0.10 0.00 -0.57 0.00 0.00 179.45 179.64 1jfj h ALA 116 N 1.24 -0.27 -0.50 3.86 0.00 -0.59 -3.33 119.26 119.67 1jfj h ALA 116 Ca -0.01 -0.14 -0.36 0.00 0.00 0.00 0.00 54.91 54.40 1jfj h ALA 116 Cb 1.35 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1jfj h ALA 116 CO 0.10 -0.55 1.18 -3.47 0.00 0.00 0.00 179.25 176.52 1jfj n ASP 117 N -5.11 3.25 -0.54 0.00 -0.08 -0.73 -4.44 116.55 108.90 1jfj n ASP 117 Ca -0.09 -2.72 0.06 0.00 -1.51 0.00 0.00 54.79 50.53 1jfj n ASP 117 Cb 0.20 -1.74 0.12 0.00 2.34 0.00 0.00 41.12 42.04 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jfj n ALA 118 N 13.84 2.66 -0.76 -1.67 0.00 -1.25 -4.63 120.51 128.70 1jfj n ALA 118 Ca 0.45 -2.49 -0.20 0.00 0.00 0.00 0.00 53.44 51.20 1jfj n ALA 118 Cb 0.46 -0.45 0.11 0.00 0.00 0.00 0.00 19.45 19.57 1jfj n ALA 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jfj n ASN 119 N -0.77 4.66 -3.82 0.00 6.94 -1.26 -4.86 115.26 116.16 1jfj n ASN 119 Ca 0.12 -3.23 -0.25 0.00 -0.02 0.00 0.00 54.58 51.20 1jfj n ASN 119 Cb 0.75 -0.83 0.01 0.00 -2.36 0.00 0.00 39.78 37.34 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jfj n GLY 120 N -0.54 -0.37 1.26 4.83 0.00 -1.26 -4.88 105.19 104.23 1jfj n GLY 120 Ca 0.44 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1jfj n GLY 120 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 121 N -2.97 0.49 0.00 1.61 -0.08 -1.26 -5.05 116.55 109.29 1jfj n ASP 121 Ca -0.27 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1jfj n ASP 121 Cb 0.67 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jfj n GLY 122 N 3.03 1.58 3.16 0.27 0.00 -1.26 -5.05 105.19 106.91 1jfj n GLY 122 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 1jfj n GLY 122 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfj s TYR 123 N -1.85 1.00 0.38 1.61 1.13 -1.26 -3.19 117.35 115.16 1jfj s TYR 123 Ca 0.00 -0.65 0.06 0.00 -1.41 0.00 0.00 57.07 55.07 1jfj s TYR 123 Cb 0.00 -0.55 -0.07 0.00 -1.10 0.00 0.00 41.96 40.23 1jfj s TYR 123 CO 0.00 -0.02 0.03 0.96 -2.51 0.00 0.00 175.55 174.00 1jfj s ILE 124 N -2.35 1.69 0.27 -3.49 -5.25 0.14 -4.97 121.20 107.23 1jfj s ILE 124 Ca 0.03 -2.00 0.10 0.00 -0.99 0.00 0.00 60.65 57.80 1jfj s ILE 124 Cb -0.03 -2.91 -0.05 0.00 2.95 0.00 0.00 42.46 42.41 1jfj s ILE 124 CO -0.00 0.00 -0.16 0.42 -1.79 0.00 0.00 174.94 173.41 1jfj s THR 125 N -2.93 2.19 0.28 8.37 -4.23 -1.26 -0.42 115.64 117.63 1jfj s THR 125 Ca 0.35 -2.31 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 1jfj s THR 125 Cb 0.09 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.91 1jfj s THR 125 CO 0.17 -0.42 1.94 0.17 -0.54 0.00 0.00 174.62 175.94 1jfj h LEU 126 N 2.32 1.02 -0.20 4.79 8.10 -1.92 0.71 115.31 130.12 1jfj h LEU 126 Ca -0.40 -0.02 -0.04 0.00 0.11 0.00 0.00 57.88 57.54 1jfj h LEU 126 Cb 1.25 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 41.22 1jfj h LEU 126 CO 0.62 0.72 -0.02 -0.33 -4.11 0.00 0.00 178.44 175.32 1jfj h GLU 127 N 1.19 0.37 -0.57 0.17 4.39 -1.96 0.04 114.58 118.21 1jfj h GLU 127 Ca 0.35 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 1jfj h GLU 127 Cb -0.05 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1jfj h GLU 127 CO -0.09 0.60 0.02 1.49 -1.16 0.00 0.00 179.01 179.87 1jfj h GLU 128 N 0.11 0.97 -0.46 2.33 4.81 -1.80 -1.42 114.58 119.12 1jfj h GLU 128 Ca 0.05 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1jfj h GLU 128 Cb 0.45 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1jfj h GLU 128 CO 0.02 0.94 0.09 0.35 -0.73 0.00 0.00 179.01 179.67 1jfj h PHE 129 N 0.90 0.80 0.15 0.92 3.57 0.53 0.78 116.94 124.59 1jfj h PHE 129 Ca 0.17 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1jfj h PHE 129 Cb 0.49 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1jfj h PHE 129 CO 0.03 0.74 -0.07 1.25 -2.23 0.00 0.00 178.31 178.03 1jfj h LEU 130 N 0.63 -0.17 -1.80 0.59 6.46 -0.78 -2.07 115.31 118.17 1jfj h LEU 130 Ca 0.14 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1jfj h LEU 130 Cb 0.37 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 1jfj h LEU 130 CO 0.01 -0.06 0.09 -0.33 -0.62 0.00 0.00 178.44 177.53 1jfj h GLU 131 N -0.27 0.22 -0.47 1.25 5.08 -1.17 -1.01 114.58 118.22 1jfj h GLU 131 Ca -0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1jfj h GLU 131 Cb 0.21 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1jfj h GLU 131 CO 0.03 0.17 0.24 0.35 -1.00 0.00 0.00 179.01 178.81 1jfj h PHE 132 N 0.23 0.45 0.00 4.33 3.04 -0.15 -1.87 116.94 122.97 1jfj h PHE 132 Ca 0.06 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.87 1jfj h PHE 132 Cb 0.01 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 1jfj h PHE 132 CO 0.00 0.23 -0.75 0.77 -2.02 0.00 0.00 178.31 176.55 1jfj h SER 133 N 0.49 0.00 0.00 0.41 0.02 -0.98 -3.51 113.55 109.98 1jfj h SER 133 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jfj h SER 133 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1jfj h SER 133 CO -0.13 0.75 0.00 -0.11 -1.14 0.00 0.00 176.83 176.20