#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfn s ARG 2 N 0.00 0.07 -0.11 0.00 1.70 -1.26 -5.15 118.95 114.21 1jfn s ARG 2 Ca 0.00 0.06 -0.09 0.00 -0.47 0.00 0.00 55.73 55.23 1jfn s ARG 2 Cb 0.00 -0.20 0.04 0.00 -0.57 0.00 0.00 34.95 34.22 1jfn s ARG 2 CO 0.00 -0.07 0.29 -1.50 -1.08 0.00 0.00 175.30 172.94 1jfn s ILE 3 N 0.52 -0.01 0.64 4.99 1.10 -1.26 -5.15 121.20 122.02 1jfn s ILE 3 Ca -0.04 0.05 -0.15 0.00 -0.51 0.00 0.00 60.65 59.99 1jfn s ILE 3 Cb -0.07 -0.43 -0.01 0.00 0.15 0.00 0.00 42.46 42.11 1jfn s ILE 3 CO -0.01 0.02 1.10 -1.00 -2.11 0.00 0.00 174.94 172.94 1jfn s HIS 4 N 0.59 2.68 0.38 3.50 3.76 -1.26 -4.92 115.29 120.02 1jfn s HIS 4 Ca -0.04 1.54 -0.22 0.00 -0.15 0.00 0.00 55.06 56.20 1jfn s HIS 4 Cb -0.05 -3.16 -0.16 0.00 1.11 0.00 0.00 32.58 30.33 1jfn s HIS 4 CO -0.03 -1.60 0.18 -2.39 -0.85 0.00 0.00 174.74 170.04 1jfn n HIS 5 N -2.27 -1.77 -1.40 1.40 1.44 -1.26 -4.89 115.22 106.47 1jfn n HIS 5 Ca 0.10 0.66 0.07 0.00 -2.01 0.00 0.00 57.72 56.54 1jfn n HIS 5 Cb 0.52 -1.82 0.10 0.00 0.12 0.00 0.00 29.99 28.92 1jfn n HIS 5 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1jfn n HIS 6 N -0.89 0.00 0.00 -1.40 -0.00 -1.26 -4.91 115.22 106.76 1jfn n HIS 6 Ca 0.12 -0.76 0.00 0.00 -0.00 0.00 0.00 57.72 57.08 1jfn n HIS 6 Cb 0.38 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 1jfn n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1jfn n HIS 7 N -0.97 0.00 -3.47 -1.40 8.25 -1.26 -5.06 115.22 111.31 1jfn n HIS 7 Ca 0.12 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.36 1jfn n HIS 7 Cb 0.68 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.78 1jfn n HIS 7 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jfn s HIS 8 N 0.00 3.36 -0.13 4.41 3.76 -1.26 -5.03 115.29 120.40 1jfn s HIS 8 Ca 0.00 0.12 0.09 0.00 -0.15 0.00 0.00 55.06 55.13 1jfn s HIS 8 Cb 0.00 -1.91 -0.14 0.00 1.11 0.00 0.00 32.58 31.63 1jfn s HIS 8 CO 0.00 0.08 0.01 1.58 -0.85 0.00 0.00 174.74 175.56 1jfn n HIS 9 N -1.72 0.00 -2.75 1.40 -0.00 -1.26 -4.66 115.22 106.23 1jfn n HIS 9 Ca -0.04 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.79 1jfn n HIS 9 Cb 0.57 -0.61 -0.00 0.00 -0.12 0.00 0.00 29.99 29.82 1jfn n HIS 9 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1jfn n ILE 10 N -2.56 4.93 -1.15 3.57 2.08 -1.26 -4.95 119.36 120.02 1jfn n ILE 10 Ca -0.22 -5.82 -0.34 0.00 0.56 0.00 0.00 62.75 56.93 1jfn n ILE 10 Cb 0.88 -1.49 -0.10 0.00 -0.75 0.00 0.00 39.64 38.19 1jfn n ILE 10 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1jfn n GLU 11 N -0.14 0.59 0.00 0.38 4.71 -1.26 -3.97 120.64 120.95 1jfn n GLU 11 Ca 0.41 -1.59 0.00 0.00 -0.01 0.00 0.00 57.16 55.97 1jfn n GLU 11 Cb 0.31 -3.15 0.00 0.00 -1.01 0.00 0.00 31.44 27.60 1jfn n GLU 11 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jfn n GLY 12 N 5.31 -0.99 2.94 0.62 0.00 -1.26 -5.09 105.19 106.72 1jfn n GLY 12 Ca 0.46 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.33 0.93 0.04 1.61 5.12 -1.25 -4.96 116.66 116.81 1jfn n ARG 13 Ca 0.00 -2.81 -0.06 0.00 -1.93 0.00 0.00 57.85 53.05 1jfn n ARG 13 Cb 0.00 0.52 -0.04 0.00 -1.16 0.00 0.00 32.46 31.78 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfn h ALA 14 N 0.93 -0.20 0.36 7.54 0.00 -2.02 -3.40 119.26 122.46 1jfn h ALA 14 Ca -0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1jfn h ALA 14 Cb 1.01 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jfn h ALA 14 CO 0.49 -0.20 -0.17 -1.00 0.00 0.00 0.00 179.25 178.36 1jfn h PRO 15 N -1.02 -0.46 -3.19 0.00 0.13 -1.97 -3.48 132.00 122.00 1jfn h PRO 15 Ca -0.02 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1jfn h PRO 15 Cb 0.32 0.11 -0.15 0.00 0.13 0.00 0.00 31.00 31.40 1jfn h PRO 15 CO 0.03 -0.31 -0.11 -0.08 -0.23 0.00 0.00 178.00 177.31 1jfn s THR 16 N -3.16 0.06 -0.08 1.56 -1.32 -1.26 -5.11 115.64 106.34 1jfn s THR 16 Ca -0.07 -0.53 -0.29 0.00 -1.21 0.00 0.00 61.69 59.58 1jfn s THR 16 Cb 0.01 -1.04 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 1jfn s THR 16 CO 0.21 -0.29 2.05 -0.70 -2.21 0.00 0.00 174.62 173.67 1jfn s GLU 17 N -2.98 3.72 0.00 7.08 2.12 -1.26 -4.11 118.70 123.27 1jfn s GLU 17 Ca -0.02 2.33 -0.01 0.00 0.36 0.00 0.00 54.97 57.62 1jfn s GLU 17 Cb 0.00 -4.24 -0.01 0.00 0.26 0.00 0.00 34.13 30.15 1jfn s GLU 17 CO -0.06 -1.43 1.02 0.37 -0.54 0.00 0.00 175.26 174.61 1jfn h GLN 18 N 12.39 -0.03 -6.77 4.30 -0.00 -1.95 -3.43 115.11 119.62 1jfn h GLN 18 Ca -0.45 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 57.69 1jfn h GLN 18 Cb 1.23 0.01 0.22 0.00 0.00 0.00 0.00 27.48 28.94 1jfn h GLN 18 CO 0.95 -0.02 -0.71 0.45 0.00 0.00 0.00 178.83 179.50 1jfn n SER 19 N -2.31 -2.14 -4.78 -0.69 2.88 -1.26 -4.92 113.62 100.40 1jfn n SER 19 Ca -0.00 0.18 -0.36 0.00 -1.33 0.00 0.00 58.87 57.35 1jfn n SER 19 Cb 0.01 -1.13 -0.04 0.00 -0.75 0.00 0.00 64.21 62.31 1jfn n SER 19 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jfn s PRO 20 N -3.61 4.09 0.00 -1.46 0.04 -1.26 -5.05 135.00 127.75 1jfn s PRO 20 Ca 0.57 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1jfn s PRO 20 Cb -0.18 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1jfn s PRO 20 CO 0.67 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.91 1jfn n GLY 21 N 0.32 0.71 3.75 0.56 0.00 -1.26 -5.02 105.19 104.25 1jfn n GLY 21 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1jfn n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfn s VAL 22 N 3.85 2.94 -0.50 1.61 1.01 -1.26 -4.96 120.40 123.09 1jfn s VAL 22 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1jfn s VAL 22 Cb 0.00 -3.53 0.22 0.00 0.00 0.00 0.00 36.38 33.07 1jfn s VAL 22 CO 0.00 0.16 0.84 1.67 0.00 0.00 0.00 175.10 177.76 1jfn n GLN 23 N 1.87 0.67 0.00 2.72 -0.06 -1.26 -5.07 117.38 116.25 1jfn n GLN 23 Ca 0.04 -1.82 0.00 0.00 -2.00 0.00 0.00 57.00 53.22 1jfn n GLN 23 Cb 0.42 -1.44 0.00 0.00 -4.06 0.00 0.00 30.24 25.16 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1jfn n ASP 24 N 2.14 -0.57 -3.36 1.69 9.92 -0.96 -5.00 116.55 120.41 1jfn n ASP 24 Ca 0.12 -0.16 -0.08 0.00 -0.53 0.00 0.00 54.79 54.14 1jfn n ASP 24 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jfn s TYR 26 N -3.04 -0.24 -0.21 0.00 -0.85 0.87 -4.38 117.35 109.50 1jfn s TYR 26 Ca 0.13 0.15 -0.05 0.00 -0.52 0.00 0.00 57.07 56.79 1jfn s TYR 26 Cb -0.05 0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.47 1jfn s TYR 26 CO 0.09 -0.57 0.00 -1.01 -1.52 0.00 0.00 175.55 172.54 1jfn s HIS 27 N -2.62 3.03 0.00 -3.49 3.76 -1.26 -1.16 115.29 113.56 1jfn s HIS 27 Ca -0.04 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 1jfn s HIS 27 Cb -0.01 -2.12 0.00 0.00 1.11 0.00 0.00 32.58 31.57 1jfn s HIS 27 CO -0.03 -0.32 0.00 0.41 -0.85 0.00 0.00 174.74 173.94 1jfn n GLY 28 N 4.48 1.36 2.51 -2.22 0.00 -1.26 -2.64 105.19 107.42 1jfn n GLY 28 Ca -0.17 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 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 4.57 2.22 0.00 1.61 9.92 -1.26 -4.86 116.55 128.75 1jfn n ASP 29 Ca 0.00 -3.13 0.00 0.00 -0.53 0.00 0.00 54.79 51.13 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 -0.03 0.57 0.11 0.44 0.00 -1.25 -3.96 105.19 101.08 1jfn n GLY 30 Ca 0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 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 1.70 0.31 -0.74 1.61 4.20 -1.87 -3.23 115.11 117.08 1jfn h GLN 31 Ca 0.00 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 1jfn h GLN 31 Cb 0.02 0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1jfn h GLN 31 CO 0.00 1.24 0.00 0.45 -0.67 0.00 0.00 178.83 179.85 1jfn n SER 32 N -3.55 2.74 0.31 1.46 2.88 -1.08 -4.42 113.62 111.95 1jfn n SER 32 Ca -0.11 -2.32 -0.17 0.00 -1.33 0.00 0.00 58.87 54.94 1jfn n SER 32 Cb 1.04 -0.52 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1jfn n SER 32 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1jfn h TYR 33 N 1.66 -1.22 -3.06 0.66 3.20 -1.80 -3.41 116.97 113.01 1jfn h TYR 33 Ca 0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 1jfn h TYR 33 Cb 1.00 0.46 -0.04 0.00 1.54 0.00 0.00 36.73 39.69 1jfn h TYR 33 CO 0.41 -0.62 -0.36 0.54 -1.64 0.00 0.00 178.16 176.49 1jfn n ARG 34 N -5.18 -1.89 -3.93 1.82 1.74 -1.26 -4.93 116.66 103.02 1jfn n ARG 34 Ca -0.12 0.77 -0.10 0.00 -0.77 0.00 0.00 57.85 57.63 1jfn n ARG 34 Cb 0.43 -5.32 -0.11 0.00 -1.02 0.00 0.00 32.46 26.44 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 -2.09 0.16 -1.23 -0.13 0.00 -1.26 -5.05 107.32 97.71 1jfn s GLY 35 Ca 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 44.72 44.28 1jfn s GLY 35 CO 0.00 -0.49 2.24 -1.14 0.00 0.00 0.00 173.10 173.71 1jfn n SER 36 N 1.55 7.85 -3.63 1.64 3.41 -1.26 -4.66 113.62 118.52 1jfn n SER 36 Ca -0.23 -3.29 -0.41 0.00 -0.26 0.00 0.00 58.87 54.67 1jfn n SER 36 Cb 0.55 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 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 1.22 2.77 -0.13 7.33 7.35 -1.26 -4.55 117.46 130.19 1jfn n PHE 37 Ca 0.58 -2.53 -0.01 0.00 -0.76 0.00 0.00 57.45 54.73 1jfn n PHE 37 Cb 0.25 -2.22 -0.01 0.00 0.35 0.00 0.00 39.48 37.86 1jfn n PHE 37 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jfn n SER 38 N 6.29 1.12 -4.26 -2.13 3.41 -1.26 -4.21 113.62 112.58 1jfn n SER 38 Ca 0.53 -1.40 -0.34 0.00 -0.26 0.00 0.00 58.87 57.40 1jfn n SER 38 Cb 0.37 -0.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.92 1jfn n SER 38 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1jfn s THR 39 N 1.83 2.77 0.64 6.66 2.01 -1.26 -0.11 115.64 128.18 1jfn s THR 39 Ca 0.04 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 1jfn s THR 39 Cb 0.02 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.33 1jfn s THR 39 CO 0.00 0.50 1.02 0.42 -0.69 0.00 0.00 174.62 175.87 1jfn s THR 40 N 0.98 3.96 0.60 -0.82 -4.23 -0.80 -2.68 115.64 112.65 1jfn s THR 40 Ca -0.02 0.47 0.30 0.00 -1.18 0.00 0.00 61.69 61.26 1jfn s THR 40 Cb -0.15 -3.61 0.36 0.00 1.34 0.00 0.00 72.50 70.45 1jfn s THR 40 CO -0.02 -0.75 2.06 0.58 -0.54 0.00 0.00 174.62 175.95 1jfn h VAL 41 N -0.40 0.39 -0.21 2.29 2.07 0.29 0.45 116.25 121.13 1jfn h VAL 41 Ca -0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1jfn h VAL 41 Cb 1.23 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1jfn h VAL 41 CO 0.63 0.00 0.00 0.41 0.02 0.00 0.00 177.57 178.63 1jfn n THR 42 N -3.68 0.27 -0.55 2.57 -1.04 -1.26 -4.84 114.28 105.75 1jfn n THR 42 Ca 0.02 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1jfn n THR 42 Cb 0.37 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 69.31 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 1.16 0.77 0.00 3.41 0.00 0.16 -5.05 105.19 105.64 1jfn n GLY 43 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.07 0.10 -4.74 1.61 3.00 -1.25 -4.62 116.66 108.70 1jfn n ARG 44 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.61 1jfn n ARG 44 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.30 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1jfn s THR 45 N -0.47 1.26 -0.45 5.15 2.01 -1.26 -1.90 115.64 119.99 1jfn s THR 45 Ca 0.00 -0.65 -0.27 0.00 0.31 0.00 0.00 61.69 61.08 1jfn s THR 45 Cb 0.00 -1.07 -0.06 0.00 0.01 0.00 0.00 72.50 71.38 1jfn s THR 45 CO 0.00 0.36 2.26 0.00 -0.69 0.00 0.00 174.62 176.56 1jfn n GLN 47 N 8.96 1.44 -1.61 0.00 7.27 0.76 -4.44 117.38 129.76 1jfn n GLN 47 Ca 0.32 0.53 -0.48 0.00 0.07 0.00 0.00 57.00 57.44 1jfn n GLN 47 Cb 0.52 -2.36 -0.04 0.00 2.41 0.00 0.00 30.24 30.77 1jfn n GLN 47 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1jfn n SER 48 N -0.59 1.88 -0.34 1.69 7.64 -1.26 -4.48 113.62 118.16 1jfn n SER 48 Ca 0.11 1.13 0.03 0.00 1.01 0.00 0.00 58.87 61.15 1jfn n SER 48 Cb 0.44 -1.28 0.17 0.00 -1.01 0.00 0.00 64.21 62.53 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 3.94 1.07 0.00 1.43 4.06 -0.99 0.81 115.95 126.27 1jfn h TRP 49 Ca -0.44 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.54 1jfn h TRP 49 Cb 1.32 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1jfn h TRP 49 CO 0.56 0.51 0.00 0.45 -3.56 0.00 0.00 178.44 176.40 1jfn n SER 50 N -4.60 3.14 -4.42 -3.49 2.88 -1.26 -4.78 113.62 101.10 1jfn n SER 50 Ca 0.15 -1.98 -0.44 0.00 -1.33 0.00 0.00 58.87 55.26 1jfn n SER 50 Cb 0.22 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.09 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 1.10 6.20 -0.43 -3.46 0.15 0.28 -4.88 113.70 112.65 1jfn s SER 51 Ca 0.00 -1.16 0.04 0.00 0.70 0.00 0.00 55.95 55.54 1jfn s SER 51 Cb 0.00 -2.33 0.66 0.00 -1.71 0.00 0.00 66.02 62.65 1jfn s SER 51 CO 0.00 -1.12 1.89 0.23 1.20 0.00 0.00 173.24 175.45 1jfn n MET 52 N 6.59 2.34 -0.03 5.44 2.81 -1.26 -4.53 117.12 128.48 1jfn n MET 52 Ca -0.07 -2.96 -0.03 0.00 -1.81 0.00 0.00 57.70 52.83 1jfn n MET 52 Cb 0.44 -2.16 -0.01 0.00 -0.71 0.00 0.00 33.22 30.78 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 -1.04 0.51 0.00 2.03 -2.24 -1.26 -4.81 114.28 107.46 1jfn n THR 53 Ca 0.57 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.73 1jfn n THR 53 Cb 1.64 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.16 0.00 -3.09 -0.78 -0.04 -1.26 -4.77 135.00 121.89 1jfn n PRO 54 Ca -0.05 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 1jfn n PRO 54 Cb 0.17 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.47 1jfn n PRO 54 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1jfn s HIS 55 N 0.00 3.20 0.16 0.54 3.76 -1.26 -5.05 115.29 116.64 1jfn s HIS 55 Ca 0.00 0.56 -0.14 0.00 -0.15 0.00 0.00 55.06 55.33 1jfn s HIS 55 Cb 0.00 -3.04 -0.07 0.00 1.11 0.00 0.00 32.58 30.58 1jfn s HIS 55 CO 0.00 -0.51 0.56 -0.46 -0.85 0.00 0.00 174.74 173.48 1jfn s TRP 56 N 2.67 3.58 -0.28 1.40 -0.11 -1.26 -4.71 118.94 120.24 1jfn s TRP 56 Ca 0.26 1.06 -0.24 0.00 1.22 0.00 0.00 56.10 58.40 1jfn s TRP 56 Cb -0.15 -2.37 0.09 0.00 -1.50 0.00 0.00 33.47 29.54 1jfn s TRP 56 CO 0.12 0.40 0.83 -3.38 -4.62 0.00 0.00 176.95 170.30 1jfn s HIS 57 N -1.52 -0.71 0.41 5.86 -3.43 -1.26 -5.12 115.29 109.52 1jfn s HIS 57 Ca 0.39 1.67 -0.05 0.00 -0.80 0.00 0.00 55.06 56.28 1jfn s HIS 57 Cb -0.15 0.34 0.09 0.00 -1.43 0.00 0.00 32.58 31.43 1jfn s HIS 57 CO 0.19 -0.34 0.55 1.04 -2.00 0.00 0.00 174.74 174.18 1jfn n GLN 58 N 2.73 -0.28 -3.33 -0.38 6.02 -1.26 -4.65 117.38 116.23 1jfn n GLN 58 Ca -0.14 -1.05 -0.12 0.00 -0.01 0.00 0.00 57.00 55.68 1jfn n GLN 58 Cb 0.56 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.31 1jfn n GLN 58 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1jfn n ARG 59 N -2.13 -1.53 -3.49 -1.09 3.00 -1.26 -4.98 116.66 105.19 1jfn n ARG 59 Ca 0.08 1.28 -0.20 0.00 -0.00 0.00 0.00 57.85 59.01 1jfn n ARG 59 Cb 0.27 -4.29 -0.00 0.00 0.00 0.00 0.00 32.46 28.43 1jfn n ARG 59 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1jfn s THR 60 N -2.87 4.25 -0.86 5.15 -1.32 -1.26 -4.98 115.64 113.75 1jfn s THR 60 Ca 0.04 -0.93 0.27 0.00 -1.21 0.00 0.00 61.69 59.86 1jfn s THR 60 Cb -0.01 -3.49 0.23 0.00 -1.51 0.00 0.00 72.50 67.72 1jfn s THR 60 CO 0.81 -0.21 1.79 0.35 -2.21 0.00 0.00 174.62 175.15 1jfn n THR 61 N -1.66 0.27 0.21 5.08 -2.24 -1.26 -2.93 114.28 111.76 1jfn n THR 61 Ca -0.01 -0.14 0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1jfn n THR 61 Cb 0.58 -0.46 0.49 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.14 -0.78 4.57 -1.92 0.06 114.58 116.37 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 0.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1jfn h GLU 62 CO 0.00 0.27 0.00 0.98 -1.18 0.00 0.00 179.01 179.08 1jfn n TYR 63 N -3.92 0.16 -3.66 0.92 4.19 -1.15 -4.68 117.16 109.02 1jfn n TYR 63 Ca -0.02 -0.08 -0.29 0.00 3.31 0.00 0.00 57.90 60.82 1jfn n TYR 63 Cb 0.34 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 40.04 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 1jfn s TYR 64 N -1.84 1.54 -0.48 2.98 1.51 0.01 -4.95 117.35 116.12 1jfn s TYR 64 Ca 0.33 -1.95 0.25 0.00 -1.01 0.00 0.00 57.07 54.69 1jfn s TYR 64 Cb 0.21 -1.58 0.96 0.00 -0.11 0.00 0.00 41.96 41.44 1jfn s TYR 64 CO 0.31 -0.83 1.75 -1.00 -1.11 0.00 0.00 175.55 174.67 1jfn h PRO 65 N 7.32 0.00 0.00 -1.71 0.13 -1.84 -3.13 132.00 132.77 1jfn h PRO 65 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1jfn h PRO 65 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1jfn h PRO 65 CO 0.43 0.00 0.25 -0.97 -0.23 0.00 0.00 178.00 177.48 1jfn h ASN 66 N 0.00 0.00 0.09 1.44 -0.73 -1.92 -0.87 115.58 113.59 1jfn h ASN 66 Ca 0.00 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 57.83 1jfn h ASN 66 Cb 0.49 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1jfn h ASN 66 CO 0.00 0.00 -1.89 0.61 -0.37 0.00 0.00 177.43 175.78 1jfn n GLY 67 N -1.23 -0.60 0.77 1.57 0.00 -1.18 -4.98 105.19 99.53 1jfn n GLY 67 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.87 0.79 2.61 -0.02 0.00 -0.33 -5.01 105.19 105.11 1jfn n GLY 68 Ca -0.33 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 1jfn n GLY 68 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jfn n LEU 69 N 0.00 3.34 -4.96 0.99 -0.00 -1.26 -5.02 117.00 110.09 1jfn n LEU 69 Ca 0.00 -5.32 -0.22 0.00 -0.00 0.00 0.00 56.01 50.47 1jfn n LEU 69 Cb 0.00 -0.66 -0.01 0.00 -0.00 0.00 0.00 43.42 42.75 1jfn n LEU 69 CO 0.00 1.93 0.06 0.28 -0.00 0.00 0.00 177.39 179.66 1jfn s THR 70 N -2.02 5.05 0.00 1.47 -1.32 -1.26 -4.57 115.64 113.00 1jfn s THR 70 Ca 0.34 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 1jfn s THR 70 Cb 0.07 -3.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.25 1jfn s THR 70 CO -0.08 -0.40 0.00 -1.14 -2.21 0.00 0.00 174.62 170.79 1jfn n ARG 71 N -1.59 0.00 -0.40 7.08 0.63 -1.26 -3.29 116.66 117.82 1jfn n ARG 71 Ca -0.06 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 56.91 1jfn n ARG 71 Cb 0.57 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.69 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 2.21 3.16 -4.77 6.15 6.94 -1.26 -0.32 115.26 127.38 1jfn n ASN 72 Ca 0.00 -2.35 -0.40 0.00 -0.02 0.00 0.00 54.58 51.81 1jfn n ASN 72 Cb 0.00 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 36.90 1jfn n ASN 72 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1jfn s TYR 73 N -1.81 3.19 -0.20 -2.53 2.02 -1.21 -4.31 117.35 112.51 1jfn s TYR 73 Ca 0.29 1.52 -0.16 0.00 -0.37 0.00 0.00 57.07 58.36 1jfn s TYR 73 Cb 0.20 -3.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.21 1jfn s TYR 73 CO 0.12 -1.39 0.40 0.00 -1.57 0.00 0.00 175.55 173.11 1jfn s ARG 75 N 1.26 1.85 -0.60 0.00 1.81 -1.21 -4.26 118.95 117.80 1jfn s ARG 75 Ca 0.19 -1.75 -0.00 0.00 -1.72 0.00 0.00 55.73 52.46 1jfn s ARG 75 Cb -0.15 0.43 0.15 0.00 -0.45 0.00 0.00 34.95 34.93 1jfn s ARG 75 CO 0.08 -0.76 0.39 1.21 -0.68 0.00 0.00 175.30 175.54 1jfn s ASN 76 N -3.23 4.89 0.00 0.23 3.84 -1.26 -0.47 114.94 118.94 1jfn s ASN 76 Ca 0.31 -2.98 0.19 0.00 0.21 0.00 0.00 52.86 50.60 1jfn s ASN 76 Cb 0.00 -1.77 1.14 0.00 -0.55 0.00 0.00 41.25 40.07 1jfn s ASN 76 CO 0.20 -0.30 1.58 -0.81 -2.79 0.00 0.00 177.10 174.98 1jfn n PRO 77 N 3.26 0.74 0.00 0.43 -0.04 -1.26 -2.57 135.00 135.55 1jfn n PRO 77 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1jfn n PRO 77 Cb 0.35 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.91 0.85 -1.63 3.54 8.00 -1.26 -4.98 116.55 120.16 1jfn n ASP 78 Ca 0.14 -0.93 -0.19 0.00 0.71 0.00 0.00 54.79 54.52 1jfn n ASP 78 Cb 0.07 0.21 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 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 -0.18 -0.35 -0.98 2.24 0.00 -1.06 -4.96 120.51 115.22 1jfn n ALA 79 Ca 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.67 1jfn n ALA 79 Cb 0.02 -1.98 0.08 0.00 0.00 0.00 0.00 19.45 17.57 1jfn n ALA 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1jfn n GLU 80 N -2.52 -1.84 -0.42 0.00 2.13 -1.25 -4.77 120.64 111.96 1jfn n GLU 80 Ca -0.20 -0.52 0.35 0.00 0.66 0.00 0.00 57.16 57.46 1jfn n GLU 80 Cb 0.65 -0.51 0.67 0.00 0.27 0.00 0.00 31.44 32.52 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 1jfn h ILE 81 N -1.97 0.29 -2.80 6.31 3.07 -1.93 -3.37 117.51 117.10 1jfn h ILE 81 Ca -0.12 -0.04 0.08 0.00 1.55 0.00 0.00 64.86 66.33 1jfn h ILE 81 Cb 0.38 0.16 -0.04 0.00 -0.27 0.00 0.00 36.82 37.05 1jfn h ILE 81 CO 0.08 0.02 0.33 -0.44 -1.05 0.00 0.00 178.15 177.10 1jfn s SER 82 N -4.80 -0.15 0.68 2.16 0.01 -1.26 -3.76 113.70 106.58 1jfn s SER 82 Ca -0.07 -0.70 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 1jfn s SER 82 Cb 0.26 0.68 -0.00 0.00 0.21 0.00 0.00 66.02 67.17 1jfn s SER 82 CO 0.82 -1.29 1.06 -2.16 0.41 0.00 0.00 173.24 172.08 1jfn s PRO 83 N -3.23 3.11 0.28 12.44 0.04 -1.26 -4.73 135.00 141.66 1jfn s PRO 83 Ca 0.13 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.82 1jfn s PRO 83 Cb -0.04 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1jfn s PRO 83 CO 0.07 -0.90 0.45 -2.67 0.04 0.00 0.00 177.00 173.98 1jfn n TRP 84 N -2.96 -1.49 -3.64 0.56 4.27 0.38 -2.56 117.44 112.01 1jfn n TRP 84 Ca 0.07 -1.69 -0.01 0.00 -3.89 0.00 0.00 57.50 51.97 1jfn n TRP 84 Cb 0.55 0.52 -0.02 0.00 -1.36 0.00 0.00 31.31 31.00 1jfn n TRP 84 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfn s TYR 86 N -2.01 2.08 0.02 0.00 2.02 -1.26 -2.35 117.35 115.85 1jfn s TYR 86 Ca 0.12 1.67 0.03 0.00 -0.37 0.00 0.00 57.07 58.52 1jfn s TYR 86 Cb 0.00 -3.24 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 1jfn s TYR 86 CO -0.03 -2.35 -0.01 0.95 -1.57 0.00 0.00 175.55 172.54 1jfn s THR 87 N -2.64 4.02 -1.55 -0.71 -4.23 -1.15 0.27 115.64 109.65 1jfn s THR 87 Ca 0.66 -0.72 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1jfn s THR 87 Cb -0.21 -2.81 0.16 0.00 1.34 0.00 0.00 72.50 70.97 1jfn s THR 87 CO 0.55 0.32 1.08 0.23 -0.54 0.00 0.00 174.62 176.26 1jfn n MET 88 N 1.24 0.14 -3.91 3.99 2.81 -0.71 -4.46 117.12 116.23 1jfn n MET 88 Ca -0.14 0.17 -0.35 0.00 -1.81 0.00 0.00 57.70 55.57 1jfn n MET 88 Cb 0.52 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.45 1jfn n MET 88 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1jfn s ASP 89 N -2.45 5.92 0.00 7.83 1.11 -1.26 -4.95 116.67 122.86 1jfn s ASP 89 Ca 0.08 0.19 0.13 0.00 0.18 0.00 0.00 52.55 53.13 1jfn s ASP 89 Cb 0.05 -2.00 0.64 0.00 1.07 0.00 0.00 42.92 42.68 1jfn s ASP 89 CO 0.11 0.21 1.39 -0.81 1.18 0.00 0.00 175.17 177.25 1jfn n PRO 90 N 3.28 0.12 0.00 8.23 -0.04 -1.26 -1.58 135.00 143.75 1jfn n PRO 90 Ca -0.17 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1jfn n PRO 90 Cb 0.53 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.37 0.71 -3.68 3.54 3.02 -1.26 -4.56 115.26 111.66 1jfn n ASN 91 Ca 0.05 -0.53 -0.29 0.00 -0.03 0.00 0.00 54.58 53.78 1jfn n ASN 91 Cb 0.13 0.17 -0.13 0.00 -0.61 0.00 0.00 39.78 39.34 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 -2.76 1.30 0.14 2.41 1.01 -0.61 -5.01 120.40 116.88 1jfn s VAL 92 Ca 0.18 -2.56 -0.29 0.00 0.00 0.00 0.00 61.98 59.30 1jfn s VAL 92 Cb 0.18 -1.91 -0.07 0.00 0.00 0.00 0.00 36.38 34.58 1jfn s VAL 92 CO 0.61 -0.93 1.51 0.03 0.00 0.00 0.00 175.10 176.32 1jfn h ARG 93 N 6.63 -0.08 -3.02 2.72 2.47 -1.80 -3.26 114.38 118.04 1jfn h ARG 93 Ca 0.02 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1jfn h ARG 93 Cb 0.92 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.23 1jfn h ARG 93 CO 0.47 -0.05 0.24 1.67 0.56 0.00 0.00 179.97 182.85 1jfn s TRP 94 N -5.37 -0.06 -0.21 3.04 1.48 -1.26 -2.93 118.94 113.62 1jfn s TRP 94 Ca -0.12 -0.47 -0.36 0.00 -1.06 0.00 0.00 56.10 54.09 1jfn s TRP 94 Cb 0.10 0.74 0.15 0.00 -1.16 0.00 0.00 33.47 33.30 1jfn s TRP 94 CO 0.58 -1.35 1.29 -2.00 -4.06 0.00 0.00 176.95 171.40 1jfn s GLU 95 N -3.35 0.20 0.34 3.25 2.12 -0.99 -4.90 118.70 115.38 1jfn s GLU 95 Ca 0.13 -0.08 -0.26 0.00 0.36 0.00 0.00 54.97 55.12 1jfn s GLU 95 Cb -0.06 0.09 -0.10 0.00 0.26 0.00 0.00 34.13 34.33 1jfn s GLU 95 CO 0.09 -0.09 1.00 0.71 -0.54 0.00 0.00 175.26 176.43 1jfn s TYR 96 N -2.26 3.54 0.90 5.30 1.51 -1.26 -1.94 117.35 123.13 1jfn s TYR 96 Ca 0.11 1.73 -0.13 0.00 -1.01 0.00 0.00 57.07 57.76 1jfn s TYR 96 Cb -0.00 -3.03 0.14 0.00 -0.11 0.00 0.00 41.96 38.96 1jfn s TYR 96 CO -0.04 -0.15 1.20 0.00 -1.11 0.00 0.00 175.55 175.45 1jfn n ASN 98 N -3.65 3.87 -4.88 0.00 3.02 -1.09 -4.16 115.26 108.38 1jfn n ASN 98 Ca 0.10 -2.47 -0.23 0.00 -0.03 0.00 0.00 54.58 51.95 1jfn n ASN 98 Cb 0.60 -1.11 -0.04 0.00 -0.61 0.00 0.00 39.78 38.63 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 0.57 4.02 0.11 3.41 2.01 -1.26 -2.26 118.68 125.28 1jfn s LEU 99 Ca 0.46 -0.09 -0.25 0.00 0.01 0.00 0.00 54.13 54.26 1jfn s LEU 99 Cb 0.12 -2.57 0.08 0.00 0.01 0.00 0.00 46.19 43.83 1jfn s LEU 99 CO 0.03 -0.02 0.67 0.42 1.01 0.00 0.00 176.35 178.45 1jfn s THR 100 N -1.99 0.00 -0.52 5.49 -4.23 -1.26 -4.84 115.64 108.30 1jfn s THR 100 Ca 0.33 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.58 1jfn s THR 100 Cb -0.09 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 72.69 1jfn s THR 100 CO 0.26 0.00 2.32 -1.10 -0.54 0.00 0.00 174.62 175.57 1jfn s GLN 101 N -3.41 2.17 -0.92 3.99 -0.21 -1.26 0.30 119.66 120.32 1jfn s GLN 101 Ca 0.01 1.26 -0.25 0.00 0.02 0.00 0.00 55.36 56.40 1jfn s GLN 101 Cb -0.01 -4.56 -0.22 0.00 1.00 0.00 0.00 33.01 29.22 1jfn s GLN 101 CO -0.10 -3.23 2.38 0.00 -2.12 0.00 0.00 175.29 172.22 1jfn n PRO 103 N 7.29 3.69 -2.26 0.00 -0.04 -1.26 -4.96 135.00 137.47 1jfn n PRO 103 Ca 0.61 -2.67 -0.25 0.00 -0.04 0.00 0.00 63.50 61.15 1jfn n PRO 103 Cb 0.05 -2.88 0.08 0.00 -0.04 0.00 0.00 33.50 30.70 1jfn n PRO 103 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jfn s VAL 104 N 1.56 2.28 -0.12 0.52 1.01 -1.26 -5.03 120.40 119.37 1jfn s VAL 104 Ca 0.59 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1jfn s VAL 104 Cb 0.16 -2.96 -0.13 0.00 0.00 0.00 0.00 36.38 33.46 1jfn s VAL 104 CO -0.07 0.00 0.00 1.07 0.00 0.00 0.00 175.10 176.10 1jfn n THR 105 N -2.91 0.77 -0.58 3.92 5.66 -1.26 -5.02 114.28 114.87 1jfn n THR 105 Ca 0.09 -0.44 -0.16 0.00 -3.05 0.00 0.00 64.05 60.50 1jfn n THR 105 Cb 0.60 -0.77 0.12 0.00 -1.55 0.00 0.00 70.33 68.73 1jfn n THR 105 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1jfn n GLU 106 N -2.52 -1.85 0.27 1.09 -0.58 -1.26 -4.90 120.64 110.89 1jfn n GLU 106 Ca -0.20 -0.55 -0.12 0.00 -0.42 0.00 0.00 57.16 55.87 1jfn n GLU 106 Cb 0.84 -1.38 -0.06 0.00 -0.57 0.00 0.00 31.44 30.27 1jfn n GLU 106 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1jfn h SER 107 N -2.53 -0.63 0.00 1.62 0.87 -2.07 -3.44 113.55 107.37 1jfn h SER 107 Ca -0.21 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1jfn h SER 107 Cb 0.67 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1jfn h SER 107 CO 0.13 -0.23 0.00 -0.24 -0.53 0.00 0.00 176.83 175.96 1jfn n SER 108 N -5.28 0.00 -4.66 6.23 2.88 -1.26 -4.77 113.62 106.76 1jfn n SER 108 Ca -0.10 0.00 -0.52 0.00 -1.33 0.00 0.00 58.87 56.92 1jfn n SER 108 Cb 0.31 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.71 1jfn n SER 108 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1jfn n VAL 109 N 0.00 0.42 1.29 2.46 0.31 -1.26 -4.81 118.33 116.75 1jfn n VAL 109 Ca 0.00 -0.11 0.13 0.00 -0.01 0.00 0.00 64.34 64.35 1jfn n VAL 109 Cb 0.00 -1.62 0.38 0.00 -0.91 0.00 0.00 33.84 31.69 1jfn n VAL 109 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1jfn n LEU 110 N 6.74 1.39 -4.86 7.52 0.00 -1.26 -4.87 117.00 121.66 1jfn n LEU 110 Ca 0.27 -0.43 -0.37 0.00 0.00 0.00 0.00 56.01 55.48 1jfn n LEU 110 Cb 0.23 -0.06 -0.06 0.00 0.00 0.00 0.00 43.42 43.52 1jfn n LEU 110 CO 0.77 0.25 -0.02 0.00 0.00 0.00 0.00 177.39 178.38 1jfn s ALA 111 N -2.30 3.79 -0.05 1.96 0.00 -1.26 -4.99 121.76 118.91 1jfn s ALA 111 Ca 0.29 -0.44 0.23 0.00 0.00 0.00 0.00 51.96 52.03 1jfn s ALA 111 Cb 0.20 -2.18 0.43 0.00 0.00 0.00 0.00 23.12 21.57 1jfn s ALA 111 CO 0.45 0.56 1.18 0.25 0.00 0.00 0.00 175.76 178.20 1jfn n THR 112 N 1.73 0.52 0.00 0.00 -2.24 -1.26 -4.93 114.28 108.09 1jfn n THR 112 Ca -0.16 -1.53 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1jfn n THR 112 Cb 0.53 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1jfn n THR 112 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jfn n SER 113 N 0.12 0.00 -4.72 3.42 7.64 -1.26 -4.83 113.62 113.99 1jfn n SER 113 Ca 0.09 0.81 -0.25 0.00 1.01 0.00 0.00 58.87 60.53 1jfn n SER 113 Cb 1.04 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.80 1jfn n SER 113 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1jfn s THR 114 N -2.27 3.99 -0.06 0.44 -1.32 -1.26 -5.12 115.64 110.04 1jfn s THR 114 Ca 0.00 -1.41 0.05 0.00 -1.21 0.00 0.00 61.69 59.13 1jfn s THR 114 Cb 0.00 -3.06 -0.02 0.00 -1.51 0.00 0.00 72.50 67.92 1jfn s THR 114 CO 0.00 -0.19 -0.22 0.00 -2.21 0.00 0.00 174.62 172.00 1jfn s ALA 115 N -1.89 2.29 -0.14 11.08 0.00 -1.26 -5.12 121.76 126.73 1jfn s ALA 115 Ca 0.30 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1jfn s ALA 115 Cb -0.09 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1jfn s ALA 115 CO 0.21 0.44 -0.15 0.08 0.00 0.00 0.00 175.76 176.34 1jfn s VAL 116 N -0.28 2.80 -0.03 0.00 1.01 -1.26 -5.11 120.40 117.52 1jfn s VAL 116 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.30 1jfn s VAL 116 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1jfn s VAL 116 CO 0.03 0.52 -0.21 -0.44 0.00 0.00 0.00 175.10 175.00 1jfn s SER 117 N 0.55 3.50 -1.43 3.32 0.01 -1.26 -4.63 113.70 113.77 1jfn s SER 117 Ca -0.09 -0.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 1jfn s SER 117 Cb -0.16 -0.59 0.02 0.00 0.21 0.00 0.00 66.02 65.51 1jfn s SER 117 CO 0.04 0.33 0.42 -0.62 0.41 0.00 0.00 173.24 173.82 1jfn n GLU 118 N 2.40 -3.73 0.00 12.44 4.71 -1.26 -5.38 120.64 129.82 1jfn n GLU 118 Ca -0.17 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 1jfn n GLU 118 Cb 0.52 -5.50 0.00 0.00 -1.01 0.00 0.00 31.44 25.44 1jfn n GLU 118 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26