#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfn n ARG 2 N 0.00 0.00 -3.18 0.00 0.00 -1.26 -5.08 116.66 107.14 1jfn n ARG 2 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 1jfn n ARG 2 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.48 1jfn n ARG 2 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1jfn n ILE 3 N -0.63 -7.47 -1.39 5.15 5.41 -1.26 -4.93 119.36 114.24 1jfn n ILE 3 Ca 0.00 0.51 -0.29 0.00 1.00 0.00 0.00 62.75 63.97 1jfn n ILE 3 Cb 0.00 -5.39 0.13 0.00 -0.71 0.00 0.00 39.64 33.67 1jfn n ILE 3 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1jfn s HIS 4 N -2.00 2.47 0.09 1.39 2.46 -1.26 -4.95 115.29 113.49 1jfn s HIS 4 Ca 0.31 1.06 -0.28 0.00 0.47 0.00 0.00 55.06 56.62 1jfn s HIS 4 Cb -0.05 -3.23 -0.11 0.00 -0.13 0.00 0.00 32.58 29.05 1jfn s HIS 4 CO 0.81 -2.31 1.45 1.25 -2.47 0.00 0.00 174.74 173.46 1jfn h HIS 5 N -1.47 -1.28 -4.32 3.88 2.76 -2.09 -3.42 115.15 109.22 1jfn h HIS 5 Ca -0.50 0.04 -0.70 0.00 -2.20 0.00 0.00 60.37 57.01 1jfn h HIS 5 Cb 1.30 0.56 -0.27 0.00 1.55 0.00 0.00 27.41 30.55 1jfn h HIS 5 CO 0.37 -0.47 -0.88 -1.01 -1.30 0.00 0.00 177.93 174.65 1jfn s HIS 6 N -5.21 2.34 -0.77 5.26 3.76 -1.26 -5.08 115.29 114.33 1jfn s HIS 6 Ca -0.13 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.27 1jfn s HIS 6 Cb 0.05 -1.41 0.20 0.00 1.11 0.00 0.00 32.58 32.53 1jfn s HIS 6 CO 0.49 0.11 0.68 -3.38 -0.85 0.00 0.00 174.74 171.79 1jfn s HIS 7 N -0.79 3.66 -0.03 1.40 -0.00 -1.26 -4.77 115.29 113.51 1jfn s HIS 7 Ca 0.12 -2.18 0.06 0.00 -0.00 0.00 0.00 55.06 53.06 1jfn s HIS 7 Cb -0.10 -3.65 -0.10 0.00 -0.00 0.00 0.00 32.58 28.73 1jfn s HIS 7 CO 0.02 -0.95 0.11 1.58 -0.00 0.00 0.00 174.74 175.50 1jfn n HIS 8 N 3.85 0.00 1.37 0.38 -0.00 -1.26 -4.52 115.22 115.05 1jfn n HIS 8 Ca 0.12 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.43 1jfn n HIS 8 Cb 0.44 -0.20 0.45 0.00 -0.12 0.00 0.00 29.99 30.56 1jfn n HIS 8 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1jfn n HIS 9 N -1.89 0.00 -1.48 1.57 -0.00 -1.26 -4.13 115.22 108.03 1jfn n HIS 9 Ca -0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.34 1jfn n HIS 9 Cb 0.34 -0.05 0.05 0.00 -0.00 0.00 0.00 29.99 30.33 1jfn n HIS 9 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1jfn n ILE 10 N -0.15 3.52 -3.52 1.59 2.08 -1.26 -4.93 119.36 116.69 1jfn n ILE 10 Ca 0.16 -3.23 -0.06 0.00 0.56 0.00 0.00 62.75 60.18 1jfn n ILE 10 Cb 0.36 -1.23 0.01 0.00 -0.75 0.00 0.00 39.64 38.02 1jfn n ILE 10 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1jfn n GLU 11 N -0.55 0.56 0.00 0.38 0.00 -1.26 -5.08 120.64 114.70 1jfn n GLU 11 Ca 0.56 -1.28 0.00 0.00 0.00 0.00 0.00 57.16 56.44 1jfn n GLU 11 Cb 0.51 1.49 0.00 0.00 0.00 0.00 0.00 31.44 33.44 1jfn n GLU 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jfn n GLY 12 N -0.29 0.00 0.00 8.31 0.00 -1.26 -5.13 105.19 106.81 1jfn n GLY 12 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jfn n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfn n ARG 13 N 0.00 2.49 -3.42 1.61 1.74 -1.26 -5.08 116.66 112.74 1jfn n ARG 13 Ca 0.00 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.81 1jfn n ARG 13 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1jfn s ALA 14 N -2.76 1.53 -0.63 7.54 0.00 -1.26 -5.07 121.76 121.11 1jfn s ALA 14 Ca 0.00 -2.52 -0.27 0.00 0.00 0.00 0.00 51.96 49.17 1jfn s ALA 14 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1jfn s ALA 14 CO 0.00 -1.98 1.56 -1.25 0.00 0.00 0.00 175.76 174.09 1jfn s PRO 15 N -0.00 3.00 -0.72 0.00 0.04 -1.26 -4.93 135.00 131.13 1jfn s PRO 15 Ca 0.32 0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 1jfn s PRO 15 Cb 0.03 -4.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.25 1jfn s PRO 15 CO -0.19 -2.32 2.13 0.95 0.04 0.00 0.00 177.00 177.61 1jfn s THR 16 N 7.19 3.23 -0.97 1.26 -4.23 -1.26 -4.82 115.64 116.05 1jfn s THR 16 Ca 0.54 -0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.76 1jfn s THR 16 Cb -0.11 -3.56 -0.25 0.00 1.34 0.00 0.00 72.50 69.91 1jfn s THR 16 CO 0.20 -0.53 2.47 1.21 -0.54 0.00 0.00 174.62 177.43 1jfn n GLU 17 N 8.97 0.07 0.24 3.99 4.07 -1.26 -4.68 120.64 132.03 1jfn n GLU 17 Ca 0.36 -0.03 0.16 0.00 -0.06 0.00 0.00 57.16 57.59 1jfn n GLU 17 Cb 0.49 -1.49 0.70 0.00 -0.06 0.00 0.00 31.44 31.09 1jfn n GLU 17 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1jfn h GLN 18 N 12.04 0.00 0.73 5.31 4.15 -2.03 -3.22 115.11 132.09 1jfn h GLN 18 Ca -0.02 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1jfn h GLN 18 Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1jfn h GLN 18 CO 1.45 0.00 -0.38 0.77 -1.93 0.00 0.00 178.83 178.74 1jfn h SER 19 N 0.00 -0.92 -4.25 -0.69 0.02 -2.01 -3.43 113.55 102.28 1jfn h SER 19 Ca 0.00 0.04 -0.50 0.00 -0.84 0.00 0.00 61.79 60.48 1jfn h SER 19 Cb 0.36 0.25 0.09 0.00 0.14 0.00 0.00 62.40 63.24 1jfn h SER 19 CO 0.00 -0.62 0.37 -2.16 -1.14 0.00 0.00 176.83 173.27 1jfn s PRO 20 N -5.29 2.94 -0.19 3.45 0.04 -1.22 -5.04 135.00 129.69 1jfn s PRO 20 Ca -0.15 1.19 -0.03 0.00 0.04 0.00 0.00 61.00 62.05 1jfn s PRO 20 Cb 0.02 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1jfn s PRO 20 CO 0.46 -1.11 -0.08 0.20 0.04 0.00 0.00 177.00 176.51 1jfn s GLY 21 N -3.05 1.59 0.22 0.56 0.00 -1.26 -4.96 107.32 100.42 1jfn s GLY 21 Ca 0.63 -1.06 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 1jfn s GLY 21 CO 0.45 0.21 0.86 -1.34 0.00 0.00 0.00 173.10 173.27 1jfn s VAL 22 N 1.06 4.25 0.00 1.40 -7.23 -1.26 -5.00 120.40 113.62 1jfn s VAL 22 Ca 0.00 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 62.01 1jfn s VAL 22 Cb -0.15 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.62 1jfn s VAL 22 CO -0.01 0.44 0.00 1.67 -0.31 0.00 0.00 175.10 176.89 1jfn n GLN 23 N 1.35 0.00 -2.55 4.82 7.27 -1.26 -5.08 117.38 121.94 1jfn n GLN 23 Ca -0.03 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.62 1jfn n GLN 23 Cb 0.48 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.12 1jfn n GLN 23 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1jfn s ASP 24 N 0.00 6.64 -0.27 1.69 -4.77 -1.26 -4.88 116.67 113.82 1jfn s ASP 24 Ca 0.00 -2.02 -0.25 0.00 -3.30 0.00 0.00 52.55 46.98 1jfn s ASP 24 Cb 0.00 -2.58 0.07 0.00 -1.09 0.00 0.00 42.92 39.33 1jfn s ASP 24 CO 0.00 -1.37 0.73 0.00 0.70 0.00 0.00 175.17 175.23 1jfn s TYR 26 N 0.38 0.22 -0.12 0.00 -0.85 0.73 -4.62 117.35 113.09 1jfn s TYR 26 Ca 0.00 -0.46 -0.07 0.00 -0.52 0.00 0.00 57.07 56.02 1jfn s TYR 26 Cb -0.05 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1jfn s TYR 26 CO 0.01 -0.21 0.12 -1.58 -1.52 0.00 0.00 175.55 172.37 1jfn s HIS 27 N -1.44 3.53 0.00 -3.49 5.65 -1.26 0.23 115.29 118.50 1jfn s HIS 27 Ca -0.16 0.47 0.00 0.00 0.25 0.00 0.00 55.06 55.62 1jfn s HIS 27 Cb -0.10 -1.94 0.00 0.00 -1.18 0.00 0.00 32.58 29.37 1jfn s HIS 27 CO -0.01 0.67 0.00 0.41 -0.65 0.00 0.00 174.74 175.16 1jfn n GLY 28 N 2.13 2.16 2.52 1.59 0.00 -1.26 -3.52 105.19 108.81 1jfn n GLY 28 Ca -0.20 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 1jfn n GLY 28 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfn n ASP 29 N 9.84 2.40 0.00 1.61 9.92 -1.26 -4.85 116.55 134.20 1jfn n ASP 29 Ca 0.00 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 51.07 1jfn n ASP 29 Cb 0.00 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1jfn n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jfn n GLY 30 N -0.04 0.24 0.18 0.44 0.00 -1.18 -3.91 105.19 100.91 1jfn n GLY 30 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1jfn n GLY 30 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1jfn h GLN 31 N 0.62 0.61 -1.12 1.61 1.08 -1.84 -3.24 115.11 112.83 1jfn h GLN 31 Ca 0.00 -0.75 -0.17 0.00 -1.45 0.00 0.00 58.65 56.28 1jfn h GLN 31 Cb 0.38 0.24 -0.09 0.00 -0.05 0.00 0.00 27.48 27.95 1jfn h GLN 31 CO 0.00 1.33 0.22 0.45 -0.95 0.00 0.00 178.83 179.88 1jfn n SER 32 N -3.79 3.74 -4.49 1.46 2.88 -1.24 -4.78 113.62 107.41 1jfn n SER 32 Ca -0.12 -2.56 -0.43 0.00 -1.33 0.00 0.00 58.87 54.43 1jfn n SER 32 Cb 0.94 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 1jfn n SER 32 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1jfn s TYR 33 N -1.05 2.95 -0.49 0.66 5.04 -1.22 -4.75 117.35 118.49 1jfn s TYR 33 Ca 0.18 -1.27 -0.04 0.00 -2.44 0.00 0.00 57.07 53.50 1jfn s TYR 33 Cb 0.15 -4.42 0.03 0.00 0.35 0.00 0.00 41.96 38.08 1jfn s TYR 33 CO 0.03 -1.62 2.82 0.54 -1.34 0.00 0.00 175.55 175.98 1jfn n ARG 34 N 7.24 2.56 -4.03 4.97 1.74 -1.26 -4.88 116.66 122.99 1jfn n ARG 34 Ca 0.28 -2.31 -0.12 0.00 -0.77 0.00 0.00 57.85 54.93 1jfn n ARG 34 Cb 0.49 -2.18 -0.04 0.00 -1.02 0.00 0.00 32.46 29.71 1jfn n ARG 34 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1jfn s GLY 35 N 0.52 1.00 -0.83 -0.13 0.00 -1.26 -5.09 107.32 101.54 1jfn s GLY 35 Ca 0.59 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 44.13 1jfn s GLY 35 CO -0.19 -0.80 1.07 -1.14 0.00 0.00 0.00 173.10 172.03 1jfn n SER 36 N -0.94 4.93 -3.84 1.64 3.41 -1.26 -4.84 113.62 112.72 1jfn n SER 36 Ca -0.01 -3.44 -0.41 0.00 -0.26 0.00 0.00 58.87 54.75 1jfn n SER 36 Cb 0.62 -0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 1jfn n SER 36 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1jfn n PHE 37 N 1.02 2.31 -0.26 7.33 7.35 -1.26 -4.72 117.46 129.23 1jfn n PHE 37 Ca 0.28 -1.92 -0.02 0.00 -0.76 0.00 0.00 57.45 55.04 1jfn n PHE 37 Cb 0.38 -1.99 -0.02 0.00 0.35 0.00 0.00 39.48 38.19 1jfn n PHE 37 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1jfn n SER 38 N 8.55 2.07 -4.17 -2.13 7.64 -1.26 -3.25 113.62 121.08 1jfn n SER 38 Ca 0.49 -1.66 -0.19 0.00 1.01 0.00 0.00 58.87 58.53 1jfn n SER 38 Cb 0.42 -0.48 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 1jfn n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jfn s THR 39 N 1.55 1.12 0.65 0.44 2.01 -1.26 -4.01 115.64 116.13 1jfn s THR 39 Ca 0.08 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.88 1jfn s THR 39 Cb 0.04 -1.06 0.11 0.00 0.01 0.00 0.00 72.50 71.59 1jfn s THR 39 CO 0.00 -0.18 0.89 0.42 -0.69 0.00 0.00 174.62 175.07 1jfn s THR 40 N -1.18 2.14 0.05 -0.82 -4.23 -1.16 -3.95 115.64 106.49 1jfn s THR 40 Ca -0.01 -0.80 -0.18 0.00 -1.18 0.00 0.00 61.69 59.52 1jfn s THR 40 Cb -0.10 -2.34 -0.14 0.00 1.34 0.00 0.00 72.50 71.26 1jfn s THR 40 CO 0.02 0.00 1.32 0.58 -0.54 0.00 0.00 174.62 176.00 1jfn h VAL 41 N -0.17 1.35 0.00 2.29 2.07 0.34 -2.79 116.25 119.33 1jfn h VAL 41 Ca -0.33 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1jfn h VAL 41 Cb 1.28 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1jfn h VAL 41 CO 0.40 0.46 0.00 0.41 0.02 0.00 0.00 177.57 178.86 1jfn n THR 42 N -4.38 1.56 -0.30 2.57 -1.04 -1.26 -4.66 114.28 106.77 1jfn n THR 42 Ca -0.06 0.51 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 1jfn n THR 42 Cb 0.47 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1jfn n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jfn n GLY 43 N -1.17 0.83 0.00 3.41 0.00 -1.07 -5.07 105.19 102.13 1jfn n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jfn n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jfn n ARG 44 N -2.26 1.02 -3.91 1.61 0.63 -1.26 -4.82 116.66 107.67 1jfn n ARG 44 Ca 0.00 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.58 1jfn n ARG 44 Cb 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 32.46 32.77 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1jfn s THR 45 N 0.13 3.09 0.67 5.15 2.01 -1.26 -3.01 115.64 122.42 1jfn s THR 45 Ca 0.00 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 60.72 1jfn s THR 45 Cb 0.00 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.86 1jfn s THR 45 CO 0.00 0.07 1.26 0.00 -0.69 0.00 0.00 174.62 175.25 1jfn s GLN 47 N -3.53 3.82 0.55 0.00 2.00 0.22 -3.80 119.66 118.91 1jfn s GLN 47 Ca 0.79 0.28 -0.20 0.00 -2.00 0.00 0.00 55.36 54.24 1jfn s GLN 47 Cb -0.34 -2.72 -0.07 0.00 0.80 0.00 0.00 33.01 30.67 1jfn s GLN 47 CO 0.40 0.37 0.86 0.43 -0.50 0.00 0.00 175.29 176.85 1jfn n SER 48 N 0.09 0.44 -0.06 6.67 7.64 -1.26 -4.20 113.62 122.93 1jfn n SER 48 Ca -0.01 0.85 -0.06 0.00 1.01 0.00 0.00 58.87 60.65 1jfn n SER 48 Cb 0.52 -1.33 0.12 0.00 -1.01 0.00 0.00 64.21 62.52 1jfn n SER 48 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1jfn h TRP 49 N 0.69 0.79 0.00 1.43 4.06 -1.80 -2.33 115.95 118.79 1jfn h TRP 49 Ca -0.47 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.31 1jfn h TRP 49 Cb 1.37 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1jfn h TRP 49 CO 0.37 0.86 0.00 0.45 -3.56 0.00 0.00 178.44 176.56 1jfn n SER 50 N -4.12 1.23 -4.74 -3.49 2.88 -1.26 -4.47 113.62 99.65 1jfn n SER 50 Ca 0.00 -1.82 -0.41 0.00 -1.33 0.00 0.00 58.87 55.31 1jfn n SER 50 Cb 0.42 -0.46 -0.03 0.00 -0.75 0.00 0.00 64.21 63.40 1jfn n SER 50 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jfn s SER 51 N 0.10 6.84 0.00 -3.46 0.15 -0.88 -4.89 113.70 111.56 1jfn s SER 51 Ca 0.00 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.14 1jfn s SER 51 Cb 0.00 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1jfn s SER 51 CO 0.00 -0.56 0.33 0.23 1.20 0.00 0.00 173.24 174.44 1jfn n MET 52 N 2.37 -0.21 -0.04 5.44 2.81 -1.26 -3.20 117.12 123.04 1jfn n MET 52 Ca 0.06 -0.33 -0.02 0.00 -1.81 0.00 0.00 57.70 55.59 1jfn n MET 52 Cb 0.42 -0.82 -0.01 0.00 -0.71 0.00 0.00 33.22 32.11 1jfn n MET 52 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1jfn n THR 53 N -0.06 0.74 0.00 2.03 -2.24 -1.26 -4.47 114.28 109.02 1jfn n THR 53 Ca 0.00 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1jfn n THR 53 Cb 0.06 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.33 1jfn n THR 53 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1jfn n PRO 54 N -3.49 0.00 -3.38 -0.78 -0.04 -1.26 -4.61 135.00 121.44 1jfn n PRO 54 Ca -0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 1jfn n PRO 54 Cb 0.14 -0.20 -0.01 0.00 -0.04 0.00 0.00 33.50 33.39 1jfn n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jfn n HIS 55 N -0.02 4.90 -1.62 0.54 8.25 -1.26 -5.04 115.22 120.97 1jfn n HIS 55 Ca 0.00 -3.88 -0.46 0.00 -0.26 0.00 0.00 57.72 53.11 1jfn n HIS 55 Cb 0.00 -1.57 -0.03 0.00 1.12 0.00 0.00 29.99 29.51 1jfn n HIS 55 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 1jfn n TRP 56 N 2.50 1.71 -3.29 4.41 -0.00 -1.25 -4.75 117.44 116.77 1jfn n TRP 56 Ca 0.24 0.57 0.00 0.00 -0.00 0.00 0.00 57.50 58.31 1jfn n TRP 56 Cb 0.38 -2.36 0.00 0.00 -0.00 0.00 0.00 31.31 29.33 1jfn n TRP 56 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 1jfn n HIS 57 N 1.46 0.00 -2.28 5.87 1.44 -1.19 -5.00 115.22 115.51 1jfn n HIS 57 Ca 0.12 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.84 1jfn n HIS 57 Cb 0.29 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.39 1jfn n HIS 57 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1jfn n GLN 58 N 0.00 0.00 -1.32 -1.40 6.02 -1.26 -4.88 117.38 114.53 1jfn n GLN 58 Ca 0.00 -1.50 -0.01 0.00 -0.01 0.00 0.00 57.00 55.48 1jfn n GLN 58 Cb 0.00 0.05 0.11 0.00 1.02 0.00 0.00 30.24 31.42 1jfn n GLN 58 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1jfn n ARG 59 N 0.28 1.62 -0.52 -1.09 1.74 -1.26 -4.94 116.66 112.49 1jfn n ARG 59 Ca -0.03 -3.18 -0.12 0.00 -0.77 0.00 0.00 57.85 53.74 1jfn n ARG 59 Cb 0.94 -1.36 0.12 0.00 -1.02 0.00 0.00 32.46 31.14 1jfn n ARG 59 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1jfn n THR 60 N -0.60 0.00 0.33 0.55 5.66 -1.26 -4.59 114.28 114.36 1jfn n THR 60 Ca 0.20 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.27 1jfn n THR 60 Cb 0.87 -0.39 0.32 0.00 -1.55 0.00 0.00 70.33 69.58 1jfn n THR 60 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jfn n THR 61 N -4.11 1.18 0.23 1.09 -2.24 -1.26 -1.34 114.28 107.83 1jfn n THR 61 Ca 0.05 0.36 0.07 0.00 -2.27 0.00 0.00 64.05 62.26 1jfn n THR 61 Cb 0.24 -1.23 0.54 0.00 -2.10 0.00 0.00 70.33 67.78 1jfn n THR 61 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1jfn h GLU 62 N 0.00 0.00 -0.01 -0.78 4.57 -1.98 0.25 114.58 116.63 1jfn h GLU 62 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jfn h GLU 62 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1jfn h GLU 62 CO 0.00 0.18 -0.18 0.66 -1.18 0.00 0.00 179.01 178.49 1jfn n TYR 63 N -4.17 0.00 -3.65 0.92 4.01 -0.45 -4.60 117.16 109.22 1jfn n TYR 63 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.42 1jfn n TYR 63 Cb 0.25 -0.08 -0.14 0.00 -0.31 0.00 0.00 39.34 39.06 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jfn s TYR 64 N -2.35 1.35 -0.11 -0.72 2.02 0.88 -4.96 117.35 113.45 1jfn s TYR 64 Ca 0.28 -1.71 0.30 0.00 -0.37 0.00 0.00 57.07 55.57 1jfn s TYR 64 Cb 0.20 -1.47 1.11 0.00 -0.40 0.00 0.00 41.96 41.40 1jfn s TYR 64 CO 0.47 -0.84 1.87 -1.00 -1.57 0.00 0.00 175.55 174.48 1jfn h PRO 65 N 7.66 0.00 -0.78 -1.71 0.13 -1.81 -3.37 132.00 132.12 1jfn h PRO 65 Ca -0.09 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.70 1jfn h PRO 65 Cb 0.99 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.88 1jfn h PRO 65 CO 0.43 0.00 -0.73 -1.71 -0.23 0.00 0.00 178.00 175.76 1jfn n ASN 66 N -2.93 -1.49 0.00 1.44 2.85 -1.26 -4.93 115.26 108.94 1jfn n ASN 66 Ca 0.02 -3.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.28 1jfn n ASN 66 Cb 0.34 0.90 0.00 0.00 1.24 0.00 0.00 39.78 42.26 1jfn n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jfn n GLY 67 N 1.11 0.00 1.59 8.20 0.00 -1.26 -5.00 105.19 109.83 1jfn n GLY 67 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1jfn n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfn n GLY 68 N 2.40 0.56 2.51 -0.02 0.00 -1.26 -4.92 105.19 104.46 1jfn n GLY 68 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 1jfn n GLY 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jfn n LEU 69 N 0.00 5.50 -4.82 0.99 4.77 -1.26 -4.85 117.00 117.33 1jfn n LEU 69 Ca 0.00 -3.10 -0.35 0.00 -0.03 0.00 0.00 56.01 52.53 1jfn n LEU 69 Cb 0.00 -1.17 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 1jfn n LEU 69 CO 0.00 0.93 0.47 -0.89 -1.33 0.00 0.00 177.39 176.58 1jfn s THR 70 N 2.98 4.53 0.00 -5.08 2.01 -1.26 -4.65 115.64 114.17 1jfn s THR 70 Ca 0.46 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.75 1jfn s THR 70 Cb 0.13 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1jfn s THR 70 CO -0.03 0.05 0.00 -1.14 -0.69 0.00 0.00 174.62 172.81 1jfn n ARG 71 N 0.31 0.00 -0.25 4.92 0.63 -1.26 0.07 116.66 121.08 1jfn n ARG 71 Ca 0.01 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.96 1jfn n ARG 71 Cb 0.52 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.54 1jfn n ARG 71 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1jfn n ASN 72 N -2.51 2.30 -3.55 6.15 6.94 -1.26 -2.54 115.26 120.79 1jfn n ASN 72 Ca 0.00 -2.25 -0.33 0.00 -0.02 0.00 0.00 54.58 51.98 1jfn n ASN 72 Cb 0.00 -0.54 0.01 0.00 -2.36 0.00 0.00 39.78 36.89 1jfn n ASN 72 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1jfn n TYR 73 N 0.17 -2.56 -3.30 -2.53 4.02 0.11 -4.66 117.16 108.41 1jfn n TYR 73 Ca 0.08 0.36 -0.40 0.00 -0.01 0.00 0.00 57.90 57.92 1jfn n TYR 73 Cb 0.51 -1.40 -0.08 0.00 -0.02 0.00 0.00 39.34 38.34 1jfn n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jfn s ARG 75 N 2.24 1.38 -0.56 0.00 3.00 -1.26 -4.57 118.95 119.18 1jfn s ARG 75 Ca 0.17 -1.61 0.06 0.00 0.00 0.00 0.00 55.73 54.36 1jfn s ARG 75 Cb -0.16 -1.22 0.22 0.00 0.00 0.00 0.00 34.95 33.80 1jfn s ARG 75 CO 0.11 0.21 0.59 -1.71 0.00 0.00 0.00 175.30 174.50 1jfn n ASN 76 N -0.39 2.19 -0.80 0.23 5.15 -1.26 -1.26 115.26 119.11 1jfn n ASN 76 Ca -0.08 -3.08 0.00 0.00 -0.60 0.00 0.00 54.58 50.83 1jfn n ASN 76 Cb 0.60 -0.67 0.05 0.00 -0.53 0.00 0.00 39.78 39.24 1jfn n ASN 76 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1jfn n PRO 77 N 1.45 1.48 0.00 1.20 -0.04 -1.26 -3.43 135.00 134.40 1jfn n PRO 77 Ca 0.26 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1jfn n PRO 77 Cb 0.44 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1jfn n PRO 77 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jfn n ASP 78 N 0.13 1.05 -2.94 3.54 8.00 -1.26 -4.99 116.55 120.08 1jfn n ASP 78 Ca 0.05 -1.50 -0.21 0.00 0.71 0.00 0.00 54.79 53.83 1jfn n ASP 78 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jfn n ALA 79 N -0.25 -0.92 -1.97 2.24 0.00 -1.22 -4.97 120.51 113.42 1jfn n ALA 79 Ca 0.00 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.41 1jfn n ALA 79 Cb 0.34 -3.20 0.09 0.00 0.00 0.00 0.00 19.45 16.69 1jfn n ALA 79 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jfn s GLU 80 N -5.60 1.85 0.41 0.00 8.01 -1.25 -4.89 118.70 117.23 1jfn s GLU 80 Ca 0.25 -0.81 0.25 0.00 0.01 0.00 0.00 54.97 54.66 1jfn s GLU 80 Cb -0.12 -2.28 1.30 0.00 -4.31 0.00 0.00 34.13 28.72 1jfn s GLU 80 CO 0.31 -1.35 1.66 -0.84 0.01 0.00 0.00 175.26 175.04 1jfn h ILE 81 N -0.53 0.22 -2.87 -1.63 -0.00 -1.91 -3.33 117.51 107.46 1jfn h ILE 81 Ca -0.40 -0.06 0.03 0.00 -0.00 0.00 0.00 64.86 64.43 1jfn h ILE 81 Cb 1.28 0.03 -0.00 0.00 -0.00 0.00 0.00 36.82 38.12 1jfn h ILE 81 CO 0.46 0.03 0.37 -0.55 -0.00 0.00 0.00 178.15 178.46 1jfn s SER 82 N -4.71 0.02 0.28 2.16 0.15 -1.26 -3.09 113.70 107.25 1jfn s SER 82 Ca -0.08 -1.05 -0.29 0.00 0.70 0.00 0.00 55.95 55.23 1jfn s SER 82 Cb 0.29 0.76 -0.10 0.00 -1.71 0.00 0.00 66.02 65.27 1jfn s SER 82 CO 0.81 -1.51 1.16 -2.16 1.20 0.00 0.00 173.24 172.74 1jfn s PRO 83 N -2.16 4.55 0.36 5.44 0.04 -1.26 -4.73 135.00 137.24 1jfn s PRO 83 Ca 0.18 1.92 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1jfn s PRO 83 Cb -0.04 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1jfn s PRO 83 CO 0.10 0.07 0.16 1.67 0.04 0.00 0.00 177.00 179.04 1jfn s TRP 84 N -0.98 1.73 0.00 0.56 1.48 -0.39 -1.37 118.94 119.97 1jfn s TRP 84 Ca 0.47 -1.37 0.00 0.00 -1.06 0.00 0.00 56.10 54.14 1jfn s TRP 84 Cb -0.34 -1.00 0.00 0.00 -1.16 0.00 0.00 33.47 30.97 1jfn s TRP 84 CO 0.43 -0.45 0.00 0.00 -4.06 0.00 0.00 176.95 172.87 1jfn s TYR 86 N -2.29 2.58 -0.06 0.00 2.02 -1.26 -0.68 117.35 117.65 1jfn s TYR 86 Ca 0.00 0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 1jfn s TYR 86 Cb 0.00 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.39 1jfn s TYR 86 CO 0.00 -1.44 0.02 0.95 -1.57 0.00 0.00 175.55 173.51 1jfn s THR 87 N -3.17 4.43 -2.00 -0.71 -4.23 -1.08 0.72 115.64 109.60 1jfn s THR 87 Ca 0.62 -0.30 0.08 0.00 -1.18 0.00 0.00 61.69 60.91 1jfn s THR 87 Cb -0.09 -2.91 0.22 0.00 1.34 0.00 0.00 72.50 71.06 1jfn s THR 87 CO 0.44 0.53 0.93 0.80 -0.54 0.00 0.00 174.62 176.79 1jfn n MET 88 N 1.87 0.53 -4.87 3.99 1.56 0.35 -3.88 117.12 116.68 1jfn n MET 88 Ca -0.17 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 56.96 1jfn n MET 88 Cb 0.53 -1.22 -0.14 0.00 2.15 0.00 0.00 33.22 34.54 1jfn n MET 88 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1jfn s ASP 89 N -1.71 3.25 0.00 6.12 1.11 -1.26 -4.93 116.67 119.25 1jfn s ASP 89 Ca 0.12 -0.57 0.16 0.00 0.18 0.00 0.00 52.55 52.43 1jfn s ASP 89 Cb 0.05 -0.33 0.96 0.00 1.07 0.00 0.00 42.92 44.68 1jfn s ASP 89 CO 0.09 0.26 1.40 -0.81 1.18 0.00 0.00 175.17 177.29 1jfn n PRO 90 N 1.73 0.64 0.00 8.23 -0.04 -1.26 -2.31 135.00 141.99 1jfn n PRO 90 Ca -0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.40 1jfn n PRO 90 Cb 0.52 -1.39 0.06 0.00 -0.04 0.00 0.00 33.50 32.65 1jfn n PRO 90 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jfn n ASN 91 N -0.89 1.39 -4.05 3.54 3.02 -1.26 -4.90 115.26 112.11 1jfn n ASN 91 Ca 0.12 -1.12 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 1jfn n ASN 91 Cb 0.06 0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 39.61 1jfn n ASN 91 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jfn s VAL 92 N -2.69 0.84 -0.12 2.41 1.01 -0.98 -5.06 120.40 115.81 1jfn s VAL 92 Ca 0.16 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1jfn s VAL 92 Cb 0.18 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1jfn s VAL 92 CO 0.66 0.24 -0.05 -0.09 0.00 0.00 0.00 175.10 175.86 1jfn h ARG 93 N 5.91 0.00 -3.32 2.72 1.12 -1.90 -3.37 114.38 115.53 1jfn h ARG 93 Ca -0.32 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.52 1jfn h ARG 93 Cb 1.17 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 31.03 1jfn h ARG 93 CO 0.49 0.04 0.01 1.67 -3.11 0.00 0.00 179.97 179.07 1jfn s TRP 94 N -1.84 -0.14 0.01 2.20 1.48 -1.26 -2.63 118.94 116.76 1jfn s TRP 94 Ca -0.07 -0.19 -0.28 0.00 -1.06 0.00 0.00 56.10 54.51 1jfn s TRP 94 Cb 0.01 0.37 0.09 0.00 -1.16 0.00 0.00 33.47 32.78 1jfn s TRP 94 CO 0.11 -0.87 0.79 -1.21 -4.06 0.00 0.00 176.95 171.70 1jfn s GLU 95 N -3.86 0.96 0.83 3.25 2.02 0.14 -4.87 118.70 117.18 1jfn s GLU 95 Ca 0.08 -0.18 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 1jfn s GLU 95 Cb -0.00 0.44 0.09 0.00 0.10 0.00 0.00 34.13 34.76 1jfn s GLU 95 CO -0.05 -0.38 1.13 0.71 0.02 0.00 0.00 175.26 176.69 1jfn s TYR 96 N -2.64 2.80 0.00 1.61 2.02 -1.26 -2.11 117.35 117.77 1jfn s TYR 96 Ca -0.00 0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 57.63 1jfn s TYR 96 Cb -0.01 -3.29 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1jfn s TYR 96 CO -0.05 -1.92 0.18 0.00 -1.57 0.00 0.00 175.55 172.19 1jfn n ASN 98 N 0.84 0.05 -3.80 0.00 3.02 -1.12 -4.46 115.26 109.78 1jfn n ASN 98 Ca -0.10 -1.38 -0.13 0.00 -0.03 0.00 0.00 54.58 52.94 1jfn n ASN 98 Cb 0.52 -1.15 -0.13 0.00 -0.61 0.00 0.00 39.78 38.41 1jfn n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jfn s LEU 99 N 8.26 1.18 0.16 3.41 1.43 -1.26 -4.04 118.68 127.81 1jfn s LEU 99 Ca 0.86 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 1jfn s LEU 99 Cb -0.31 0.50 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 1jfn s LEU 99 CO 0.24 -0.08 -0.12 0.42 0.23 0.00 0.00 176.35 177.03 1jfn s THR 100 N 0.43 1.34 -0.81 5.49 -4.23 -1.16 -4.80 115.64 111.91 1jfn s THR 100 Ca -0.03 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.21 1jfn s THR 100 Cb -0.04 -1.84 -0.19 0.00 1.34 0.00 0.00 72.50 71.77 1jfn s THR 100 CO -0.02 -0.65 2.42 0.00 -0.54 0.00 0.00 174.62 175.83 1jfn n GLN 101 N -0.11 0.43 -1.78 3.99 6.02 -1.25 0.26 117.38 124.93 1jfn n GLN 101 Ca -0.11 -0.24 -0.41 0.00 -0.01 0.00 0.00 57.00 56.24 1jfn n GLN 101 Cb 0.60 -2.50 0.00 0.00 1.02 0.00 0.00 30.24 29.36 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jfn s PRO 103 N -2.21 4.54 -0.00 0.00 0.04 -1.26 -4.65 135.00 131.46 1jfn s PRO 103 Ca 0.55 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 1jfn s PRO 103 Cb -0.46 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.95 1jfn s PRO 103 CO 0.62 0.10 -0.05 0.28 0.04 0.00 0.00 177.00 177.99 1jfn n VAL 104 N 1.01 0.66 0.00 -0.36 0.31 -1.26 -4.85 118.33 113.84 1jfn n VAL 104 Ca -0.00 0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1jfn n VAL 104 Cb 0.45 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1jfn n VAL 104 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1jfn n THR 105 N -3.37 0.00 -1.66 2.52 -1.04 -1.26 -4.72 114.28 104.75 1jfn n THR 105 Ca -0.06 1.46 -0.08 0.00 -2.04 0.00 0.00 64.05 63.34 1jfn n THR 105 Cb 0.37 -2.21 -0.02 0.00 -1.82 0.00 0.00 70.33 66.64 1jfn n THR 105 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jfn n GLU 106 N -2.37 -1.64 -3.89 -2.82 1.02 -1.26 -4.86 120.64 104.81 1jfn n GLU 106 Ca 0.00 0.43 -0.30 0.00 -0.02 0.00 0.00 57.16 57.27 1jfn n GLU 106 Cb 0.00 -4.72 -0.15 0.00 -0.02 0.00 0.00 31.44 26.55 1jfn n GLU 106 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jfn s SER 107 N -1.79 4.38 0.00 1.62 0.15 -1.26 -4.89 113.70 111.92 1jfn s SER 107 Ca 0.00 -2.13 0.00 0.00 0.70 0.00 0.00 55.95 54.52 1jfn s SER 107 Cb 0.00 -1.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 1jfn s SER 107 CO 0.00 -0.36 0.19 -1.20 1.20 0.00 0.00 173.24 173.06 1jfn n SER 108 N 4.25 0.37 0.00 5.45 7.64 -1.26 -4.64 113.62 125.44 1jfn n SER 108 Ca 0.03 -0.68 0.07 0.00 1.01 0.00 0.00 58.87 59.29 1jfn n SER 108 Cb 0.40 0.44 0.33 0.00 -1.01 0.00 0.00 64.21 64.37 1jfn n SER 108 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1jfn n VAL 109 N -0.44 0.79 -3.39 0.44 3.14 -1.26 -4.17 118.33 113.44 1jfn n VAL 109 Ca 0.00 0.20 -0.45 0.00 -2.96 0.00 0.00 64.34 61.13 1jfn n VAL 109 Cb 0.02 -0.97 -0.02 0.00 -1.06 0.00 0.00 33.84 31.81 1jfn n VAL 109 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1jfn s LEU 110 N -2.73 6.39 -0.16 6.55 1.43 -1.26 -5.00 118.68 123.90 1jfn s LEU 110 Ca 0.11 -3.13 0.00 0.00 -1.03 0.00 0.00 54.13 50.08 1jfn s LEU 110 Cb 0.09 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1jfn s LEU 110 CO 0.22 -0.42 -0.11 0.00 0.23 0.00 0.00 176.35 176.27 1jfn s ALA 111 N -0.52 1.80 1.00 4.21 0.00 -1.26 -5.12 121.76 121.88 1jfn s ALA 111 Ca 0.23 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1jfn s ALA 111 Cb -0.11 -1.12 0.06 0.00 0.00 0.00 0.00 23.12 21.95 1jfn s ALA 111 CO -0.08 -0.56 0.27 0.25 0.00 0.00 0.00 175.76 175.63 1jfn n THR 112 N 4.78 0.00 -1.40 0.00 -2.24 -1.26 -4.65 114.28 109.51 1jfn n THR 112 Ca -0.15 -0.23 -0.53 0.00 -2.27 0.00 0.00 64.05 60.87 1jfn n THR 112 Cb 0.49 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1jfn n THR 112 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jfn n SER 113 N -1.37 1.80 -0.00 3.42 3.41 -1.26 -4.77 113.62 114.84 1jfn n SER 113 Ca 0.05 0.47 0.04 0.00 -0.26 0.00 0.00 58.87 59.16 1jfn n SER 113 Cb 0.56 -1.18 -0.12 0.00 -0.26 0.00 0.00 64.21 63.21 1jfn n SER 113 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jfn n THR 114 N 7.05 0.70 -2.82 6.66 -2.24 -1.26 -4.69 114.28 117.69 1jfn n THR 114 Ca 0.45 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1jfn n THR 114 Cb 0.17 -0.34 0.07 0.00 -2.10 0.00 0.00 70.33 68.12 1jfn n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jfn n ALA 115 N -2.39 0.21 -2.29 6.98 0.00 -1.26 -4.98 120.51 116.77 1jfn n ALA 115 Ca -0.11 -1.90 -0.26 0.00 0.00 0.00 0.00 53.44 51.17 1jfn n ALA 115 Cb 0.77 -1.08 0.01 0.00 0.00 0.00 0.00 19.45 19.14 1jfn n ALA 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jfn n VAL 116 N 0.20 2.46 -3.44 0.00 0.31 -1.26 -5.01 118.33 111.59 1jfn n VAL 116 Ca 0.09 -4.64 -0.40 0.00 -0.01 0.00 0.00 64.34 59.38 1jfn n VAL 116 Cb 0.72 -1.22 -0.10 0.00 -0.91 0.00 0.00 33.84 32.33 1jfn n VAL 116 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1jfn s SER 117 N -3.50 6.16 -0.13 4.52 0.15 -1.26 -4.97 113.70 114.67 1jfn s SER 117 Ca 0.49 -0.08 -0.07 0.00 0.70 0.00 0.00 55.95 57.00 1jfn s SER 117 Cb 0.41 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1jfn s SER 117 CO -0.11 -0.24 -0.14 -0.33 1.20 0.00 0.00 173.24 173.62 1jfn h GLU 118 N 8.38 0.00 -0.02 5.44 4.39 -2.07 -3.56 114.58 127.15 1jfn h GLU 118 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1jfn h GLU 118 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1jfn h GLU 118 CO 0.65 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 179.54