#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 -3.41 0.00 1.74 -1.26 -5.02 116.66 108.71 1jfn n ARG 2 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1jfn n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1jfn n ARG 2 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1jfn n ILE 3 N 0.00 -6.77 -2.55 0.55 2.08 -1.26 -4.93 119.36 106.48 1jfn n ILE 3 Ca 0.00 -0.07 0.03 0.00 0.56 0.00 0.00 62.75 63.26 1jfn n ILE 3 Cb 0.00 -4.94 0.02 0.00 -0.75 0.00 0.00 39.64 33.97 1jfn n ILE 3 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1jfn n HIS 4 N -2.05 0.23 -2.35 1.39 8.25 -1.26 -5.09 115.22 114.34 1jfn n HIS 4 Ca -0.15 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.46 1jfn n HIS 4 Cb 0.60 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1jfn n HIS 4 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jfn n HIS 5 N 0.23 0.00 -2.07 4.41 8.25 -1.26 -5.06 115.22 119.71 1jfn n HIS 5 Ca 0.04 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1jfn n HIS 5 Cb 1.06 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.16 1jfn n HIS 5 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jfn n HIS 6 N 0.00 0.00 -2.65 4.41 8.25 -1.26 -5.09 115.22 118.88 1jfn n HIS 6 Ca 0.00 -0.12 -0.42 0.00 -0.26 0.00 0.00 57.72 56.92 1jfn n HIS 6 Cb 0.00 0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 1jfn n HIS 6 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1jfn s HIS 7 N 0.00 3.59 0.19 4.41 3.76 -1.26 -4.98 115.29 121.00 1jfn s HIS 7 Ca 0.05 1.61 -0.32 0.00 -0.15 0.00 0.00 55.06 56.25 1jfn s HIS 7 Cb 0.06 -3.18 -0.11 0.00 1.11 0.00 0.00 32.58 30.45 1jfn s HIS 7 CO -0.03 -0.28 1.74 -1.01 -0.85 0.00 0.00 174.74 174.32 1jfn s HIS 8 N 1.16 2.72 -0.24 1.40 0.09 -1.26 -4.88 115.29 114.29 1jfn s HIS 8 Ca 0.53 0.26 0.14 0.00 -0.00 0.00 0.00 55.06 55.99 1jfn s HIS 8 Cb -0.22 -4.14 0.63 0.00 -0.00 0.00 0.00 32.58 28.85 1jfn s HIS 8 CO 0.27 -4.42 1.58 -2.39 -0.00 0.00 0.00 174.74 169.77 1jfn n HIS 9 N 4.41 1.52 -4.06 1.40 -0.00 -1.26 -4.98 115.22 112.26 1jfn n HIS 9 Ca 0.16 -1.02 -0.27 0.00 -0.00 0.00 0.00 57.72 56.60 1jfn n HIS 9 Cb 0.36 -0.46 -0.05 0.00 -0.00 0.00 0.00 29.99 29.84 1jfn n HIS 9 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1jfn s ILE 10 N -2.91 4.63 0.00 0.61 2.07 -1.26 -5.08 121.20 119.26 1jfn s ILE 10 Ca 0.48 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 1jfn s ILE 10 Cb 0.39 -3.35 0.00 0.00 0.13 0.00 0.00 42.46 39.63 1jfn s ILE 10 CO 0.10 -0.07 0.08 -0.62 -1.91 0.00 0.00 174.94 172.52 1jfn n GLU 11 N -0.27 0.00 0.00 3.50 4.71 -1.26 -5.09 120.64 122.23 1jfn n GLU 11 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1jfn n GLU 11 Cb 0.54 -0.45 0.00 0.00 -1.01 0.00 0.00 31.44 30.52 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 1.96 0.66 0.40 0.62 0.00 -1.26 -4.71 105.19 102.87 1jfn n GLY 12 Ca 0.00 -2.32 0.04 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.82 1.51 -3.65 1.61 1.74 -1.26 -4.77 116.66 111.00 1jfn n ARG 13 Ca 0.00 -0.79 -0.08 0.00 -0.77 0.00 0.00 57.85 56.21 1jfn n ARG 13 Cb 0.00 -1.17 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 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 -1.71 -1.66 1.09 7.54 0.00 -1.26 -5.16 121.76 120.60 1jfn s ALA 14 Ca 0.15 2.18 -0.10 0.00 0.00 0.00 0.00 51.96 54.18 1jfn s ALA 14 Cb 0.08 -1.29 0.15 0.00 0.00 0.00 0.00 23.12 22.06 1jfn s ALA 14 CO 0.10 -0.35 0.63 -0.35 0.00 0.00 0.00 175.76 175.79 1jfn n PRO 15 N 4.25 -1.63 -3.65 0.00 -0.04 -1.26 -5.01 135.00 127.65 1jfn n PRO 15 Ca -0.21 -0.99 -0.39 0.00 -0.04 0.00 0.00 63.50 61.87 1jfn n PRO 15 Cb 0.58 -0.82 -0.10 0.00 -0.04 0.00 0.00 33.50 33.12 1jfn n PRO 15 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1jfn s THR 16 N -2.23 3.84 0.71 0.52 2.01 -1.26 -5.08 115.64 114.15 1jfn s THR 16 Ca 0.39 -1.85 -0.16 0.00 0.31 0.00 0.00 61.69 60.37 1jfn s THR 16 Cb -0.03 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.96 1jfn s THR 16 CO 0.29 -0.71 1.25 -1.61 -0.69 0.00 0.00 174.62 173.14 1jfn s GLU 17 N 1.28 2.20 0.33 4.92 2.02 -1.26 -4.88 118.70 123.31 1jfn s GLU 17 Ca 0.06 1.92 0.04 0.00 0.02 0.00 0.00 54.97 57.01 1jfn s GLU 17 Cb -0.25 -1.82 0.65 0.00 0.10 0.00 0.00 34.13 32.82 1jfn s GLU 17 CO -0.02 -1.83 1.90 1.96 0.02 0.00 0.00 175.26 177.30 1jfn h GLN 18 N -0.04 0.85 0.18 1.61 4.20 -2.01 -2.90 115.11 117.00 1jfn h GLN 18 Ca -0.49 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.17 1jfn h GLN 18 Cb 1.32 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 1jfn h GLN 18 CO 0.50 0.56 -0.40 0.66 -0.67 0.00 0.00 178.83 179.49 1jfn h SER 19 N 0.88 -1.17 -3.83 1.46 4.64 -2.04 -3.41 113.55 110.08 1jfn h SER 19 Ca 0.40 0.11 -0.51 0.00 -0.47 0.00 0.00 61.79 61.32 1jfn h SER 19 Cb 0.38 0.42 0.04 0.00 -0.31 0.00 0.00 62.40 62.93 1jfn h SER 19 CO -0.17 -0.45 0.55 -2.16 -0.87 0.00 0.00 176.83 173.74 1jfn s PRO 20 N -5.11 4.51 0.00 4.77 0.04 -1.10 -4.88 135.00 133.23 1jfn s PRO 20 Ca -0.13 2.00 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1jfn s PRO 20 Cb 0.04 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1jfn s PRO 20 CO 0.46 0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1jfn n GLY 21 N 1.04 1.99 3.05 0.56 0.00 -1.26 -4.61 105.19 105.96 1jfn n GLY 21 Ca -0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1jfn n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfn s VAL 22 N 0.00 -0.20 0.00 1.61 0.11 -1.26 -5.13 120.40 115.53 1jfn s VAL 22 Ca 0.00 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1jfn s VAL 22 Cb 0.00 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1jfn s VAL 22 CO 0.00 0.08 0.00 1.67 -3.33 0.00 0.00 175.10 173.52 1jfn n GLN 23 N 4.70 0.00 -1.03 1.54 7.27 -1.26 -5.05 117.38 123.55 1jfn n GLN 23 Ca -0.17 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.70 1jfn n GLN 23 Cb 0.52 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.03 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1jfn n ASP 24 N 0.00 -0.55 -3.49 1.69 5.75 -1.25 -4.79 116.55 113.90 1jfn n ASP 24 Ca 0.00 -0.19 -0.15 0.00 -0.01 0.00 0.00 54.79 54.45 1jfn n ASP 24 Cb 0.00 -0.47 -0.04 0.00 -1.03 0.00 0.00 41.12 39.58 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jfn s TYR 26 N -2.18 -0.55 -0.26 0.00 -0.85 0.79 -4.43 117.35 109.86 1jfn s TYR 26 Ca -0.05 0.50 -0.04 0.00 -0.52 0.00 0.00 57.07 56.96 1jfn s TYR 26 Cb -0.00 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.86 1jfn s TYR 26 CO 0.00 -0.79 -0.01 -1.58 -1.52 0.00 0.00 175.55 171.65 1jfn s HIS 27 N -3.15 3.08 0.00 -3.49 5.65 -1.26 0.17 115.29 116.29 1jfn s HIS 27 Ca -0.02 -1.27 0.00 0.00 0.25 0.00 0.00 55.06 54.02 1jfn s HIS 27 Cb -0.01 -2.13 0.00 0.00 -1.18 0.00 0.00 32.58 29.26 1jfn s HIS 27 CO -0.08 -0.65 0.00 0.41 -0.65 0.00 0.00 174.74 173.77 1jfn n GLY 28 N 4.75 0.62 0.24 1.59 0.00 -1.26 -2.09 105.19 109.04 1jfn n GLY 28 Ca -0.16 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 1.66 0.67 -0.09 1.61 9.92 -1.26 -4.76 116.55 124.30 1jfn n ASP 29 Ca 0.00 -1.97 -0.01 0.00 -0.53 0.00 0.00 54.79 52.28 1jfn n ASP 29 Cb 0.00 -0.18 -0.00 0.00 -0.64 0.00 0.00 41.12 40.30 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 -0.34 0.09 0.24 0.44 0.00 -0.89 -3.41 105.19 101.32 1jfn n GLY 30 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1jfn n GLY 30 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1jfn h GLN 31 N 0.00 0.00 -0.26 1.61 4.15 -1.86 -0.19 115.11 118.55 1jfn h GLN 31 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1jfn h GLN 31 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 1jfn h GLN 31 CO 0.03 0.14 0.00 0.45 -1.93 0.00 0.00 178.83 177.51 1jfn n SER 32 N -4.32 1.59 -4.56 -0.69 2.88 -1.26 -4.80 113.62 102.46 1jfn n SER 32 Ca -0.03 -1.91 -0.14 0.00 -1.33 0.00 0.00 58.87 55.46 1jfn n SER 32 Cb 0.21 -0.18 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.65 1.19 -1.39 0.66 6.14 -0.08 -4.80 117.35 117.42 1jfn s TYR 33 Ca 0.24 1.95 -0.09 0.00 0.64 0.00 0.00 57.07 59.81 1jfn s TYR 33 Cb 0.12 -3.46 0.08 0.00 0.42 0.00 0.00 41.96 39.12 1jfn s TYR 33 CO 0.17 -1.45 2.33 0.54 0.64 0.00 0.00 175.55 177.78 1jfn n ARG 34 N 8.73 3.87 -1.17 4.97 3.00 -1.26 -4.87 116.66 129.94 1jfn n ARG 34 Ca 0.46 -3.10 0.00 0.00 -0.01 0.00 0.00 57.85 55.20 1jfn n ARG 34 Cb 0.44 -2.85 0.00 0.00 0.00 0.00 0.00 32.46 30.05 1jfn n ARG 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jfn n GLY 35 N 2.77 3.23 2.66 -0.13 0.00 -1.26 -5.09 105.19 107.37 1jfn n GLY 35 Ca 0.58 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 1jfn n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfn n SER 36 N -1.55 3.85 -3.79 1.61 2.88 -1.26 -4.68 113.62 110.68 1jfn n SER 36 Ca 0.00 -3.52 -0.42 0.00 -1.33 0.00 0.00 58.87 53.60 1jfn n SER 36 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1jfn n SER 36 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1jfn n PHE 37 N 0.29 2.80 -0.17 0.66 7.35 -1.26 -4.76 117.46 122.37 1jfn n PHE 37 Ca 0.30 -2.77 0.00 0.00 -0.76 0.00 0.00 57.45 54.22 1jfn n PHE 37 Cb 0.42 -1.87 0.00 0.00 0.35 0.00 0.00 39.48 38.38 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 3.23 2.95 -4.60 -2.13 3.41 -1.26 -4.05 113.62 111.17 1jfn n SER 38 Ca 0.43 -1.74 -0.37 0.00 -0.26 0.00 0.00 58.87 56.94 1jfn n SER 38 Cb 0.34 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.77 5.11 0.78 6.66 2.01 -1.26 0.23 115.64 129.93 1jfn s THR 39 Ca 0.00 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 1jfn s THR 39 Cb 0.00 -3.39 0.09 0.00 0.01 0.00 0.00 72.50 69.21 1jfn s THR 39 CO 0.00 0.32 1.12 0.42 -0.69 0.00 0.00 174.62 175.79 1jfn s THR 40 N 1.31 2.13 0.24 -0.82 -4.23 -0.32 -2.16 115.64 111.78 1jfn s THR 40 Ca 0.07 -0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.38 1jfn s THR 40 Cb -0.14 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.92 1jfn s THR 40 CO 0.06 0.00 1.81 0.58 -0.54 0.00 0.00 174.62 176.53 1jfn h VAL 41 N -0.91 0.93 0.00 2.29 2.07 0.24 0.26 116.25 121.13 1jfn h VAL 41 Ca -0.45 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1jfn h VAL 41 Cb 1.31 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1jfn h VAL 41 CO 0.59 0.14 0.00 0.35 0.02 0.00 0.00 177.57 178.67 1jfn n THR 42 N -4.74 1.04 -0.04 2.57 -2.24 -1.26 -4.79 114.28 104.81 1jfn n THR 42 Ca 0.13 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1jfn n THR 42 Cb 0.25 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1jfn n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jfn n GLY 43 N -0.48 0.71 0.00 3.38 0.00 0.91 -5.08 105.19 104.63 1jfn n GLY 43 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jfn n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfn n ARG 44 N -2.02 -0.08 -4.56 1.61 3.00 -1.26 -4.64 116.66 108.71 1jfn n ARG 44 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 1jfn n ARG 44 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.35 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 -0.98 3.84 0.45 0.55 2.01 -1.26 -1.18 115.64 119.08 1jfn s THR 45 Ca 0.00 -0.44 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 1jfn s THR 45 Cb 0.00 -2.58 -0.08 0.00 0.01 0.00 0.00 72.50 69.85 1jfn s THR 45 CO 0.00 0.59 1.12 0.00 -0.69 0.00 0.00 174.62 175.64 1jfn s GLN 47 N -2.74 3.78 0.54 0.00 -0.44 0.51 -4.29 119.66 117.02 1jfn s GLN 47 Ca 0.63 0.22 -0.20 0.00 -2.50 0.00 0.00 55.36 53.51 1jfn s GLN 47 Cb -0.25 -2.70 -0.07 0.00 -1.64 0.00 0.00 33.01 28.35 1jfn s GLN 47 CO 0.31 0.35 0.99 0.43 0.50 0.00 0.00 175.29 177.87 1jfn n SER 48 N -0.04 0.98 -0.11 6.67 7.64 -1.26 -4.38 113.62 123.12 1jfn n SER 48 Ca -0.00 0.89 -0.12 0.00 1.01 0.00 0.00 58.87 60.64 1jfn n SER 48 Cb 0.52 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.31 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 0.88 0.87 0.00 1.43 4.06 -1.76 -2.68 115.95 118.76 1jfn h TRP 49 Ca -0.47 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 60.25 1jfn h TRP 49 Cb 1.35 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1jfn h TRP 49 CO 0.39 0.96 0.00 0.45 -3.56 0.00 0.00 178.44 176.69 1jfn n SER 50 N -4.29 2.34 -4.41 -3.49 2.88 -1.26 -4.71 113.62 100.67 1jfn n SER 50 Ca -0.02 -1.96 -0.45 0.00 -1.33 0.00 0.00 58.87 55.11 1jfn n SER 50 Cb 0.42 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 1jfn n SER 50 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1jfn s SER 51 N 0.69 6.62 -0.30 -3.46 0.01 -1.01 -4.86 113.70 111.38 1jfn s SER 51 Ca 0.00 -2.14 -0.00 0.00 1.31 0.00 0.00 55.95 55.11 1jfn s SER 51 Cb 0.00 -2.34 0.23 0.00 0.21 0.00 0.00 66.02 64.12 1jfn s SER 51 CO 0.00 -0.95 1.92 0.23 0.41 0.00 0.00 173.24 174.85 1jfn n MET 52 N 5.88 1.77 -0.02 12.44 2.81 -1.26 -4.37 117.12 134.37 1jfn n MET 52 Ca 0.18 -1.54 -0.02 0.00 -1.81 0.00 0.00 57.70 54.51 1jfn n MET 52 Cb 0.48 -1.60 -0.01 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.24 0.46 0.00 2.03 -2.24 -1.26 -4.84 114.28 108.67 1jfn n THR 53 Ca 0.30 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.42 1jfn n THR 53 Cb 0.66 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 -3.07 0.00 -3.09 -0.78 -0.04 -1.26 -4.75 135.00 122.00 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 -0.08 -0.07 0.00 -0.04 0.00 0.00 33.50 33.45 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 3.07 0.36 0.54 3.76 -1.26 -5.04 115.29 116.71 1jfn s HIS 55 Ca 0.00 0.01 -0.25 0.00 -0.15 0.00 0.00 55.06 54.68 1jfn s HIS 55 Cb 0.00 -3.36 -0.10 0.00 1.11 0.00 0.00 32.58 30.23 1jfn s HIS 55 CO 0.00 -0.86 0.98 -0.46 -0.85 0.00 0.00 174.74 173.55 1jfn s TRP 56 N 2.86 3.50 0.24 1.40 -0.11 -1.26 -4.83 118.94 120.75 1jfn s TRP 56 Ca 0.24 1.71 -0.15 0.00 1.22 0.00 0.00 56.10 59.12 1jfn s TRP 56 Cb -0.14 -2.98 0.06 0.00 -1.50 0.00 0.00 33.47 28.91 1jfn s TRP 56 CO 0.19 -0.10 0.77 -2.39 -4.62 0.00 0.00 176.95 170.79 1jfn n HIS 57 N 0.19 -1.67 -1.04 5.86 1.44 -1.26 -5.13 115.22 113.62 1jfn n HIS 57 Ca 0.04 -1.29 0.00 0.00 -2.01 0.00 0.00 57.72 54.45 1jfn n HIS 57 Cb 0.50 0.64 0.00 0.00 0.12 0.00 0.00 29.99 31.25 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 -0.53 3.52 -3.36 -1.40 1.13 -1.26 -4.86 117.38 110.62 1jfn n GLN 58 Ca -0.04 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.74 1jfn n GLN 58 Cb 0.49 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.87 1jfn n GLN 58 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jfn n ARG 59 N 0.00 -1.67 -4.47 -1.09 3.00 -1.26 -4.98 116.66 106.18 1jfn n ARG 59 Ca 0.00 1.39 -0.23 0.00 -0.01 0.00 0.00 57.85 59.00 1jfn n ARG 59 Cb 0.00 -2.23 -0.10 0.00 0.00 0.00 0.00 32.46 30.12 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 -1.47 1.73 -0.64 0.55 -1.32 -1.26 -4.87 115.64 108.36 1jfn s THR 60 Ca 0.28 -2.11 0.20 0.00 -1.21 0.00 0.00 61.69 58.86 1jfn s THR 60 Cb -0.03 -2.60 0.20 0.00 -1.51 0.00 0.00 72.50 68.56 1jfn s THR 60 CO 0.69 -0.20 1.62 0.35 -2.21 0.00 0.00 174.62 174.87 1jfn n THR 61 N -0.68 0.91 0.14 5.08 -2.24 -1.26 -1.39 114.28 114.83 1jfn n THR 61 Ca -0.05 0.26 -0.01 0.00 -2.27 0.00 0.00 64.05 61.98 1jfn n THR 61 Cb 0.64 -1.14 0.17 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.18 -0.78 4.81 -1.95 -2.37 114.58 114.11 1jfn h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jfn h GLU 62 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1jfn h GLU 62 CO 0.00 0.61 0.00 0.66 -0.73 0.00 0.00 179.01 179.55 1jfn n TYR 63 N -3.74 0.21 -3.39 0.92 4.01 -0.48 -4.69 117.16 110.00 1jfn n TYR 63 Ca -0.01 -0.11 -0.25 0.00 -0.16 0.00 0.00 57.90 57.38 1jfn n TYR 63 Cb 0.62 -0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.74 0.48 -1.64 -0.72 1.51 -0.56 -4.93 117.35 109.74 1jfn s TYR 64 Ca 0.32 -1.59 0.22 0.00 -1.01 0.00 0.00 57.07 55.01 1jfn s TYR 64 Cb 0.21 -0.74 1.21 0.00 -0.11 0.00 0.00 41.96 42.53 1jfn s TYR 64 CO 0.30 -0.88 1.72 -0.35 -1.11 0.00 0.00 175.55 175.23 1jfn n PRO 65 N 3.70 0.46 -0.09 -1.71 -0.04 -1.23 -2.80 135.00 133.29 1jfn n PRO 65 Ca 0.17 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.72 1jfn n PRO 65 Cb 0.43 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1jfn n PRO 65 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1jfn n ASN 66 N -1.18 1.57 0.24 3.54 6.94 -1.26 -4.73 115.26 120.37 1jfn n ASN 66 Ca 0.13 -2.23 0.11 0.00 -0.02 0.00 0.00 54.58 52.56 1jfn n ASN 66 Cb 0.14 -0.18 0.70 0.00 -2.36 0.00 0.00 39.78 38.09 1jfn n ASN 66 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1jfn h GLY 67 N 0.00 0.00 0.00 4.83 0.00 -1.90 -3.45 103.07 102.55 1jfn h GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jfn h GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jfn n GLY 68 N -1.51 1.31 2.38 4.60 0.00 -1.26 -4.87 105.19 105.85 1jfn n GLY 68 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 5.44 -4.31 0.99 -0.00 -1.26 -4.74 117.00 113.12 1jfn n LEU 69 Ca 0.00 -4.93 -0.34 0.00 -0.00 0.00 0.00 56.01 50.74 1jfn n LEU 69 Cb 0.00 -0.55 0.10 0.00 -0.00 0.00 0.00 43.42 42.97 1jfn n LEU 69 CO 0.00 2.06 -0.41 0.35 -0.00 0.00 0.00 177.39 179.39 1jfn n THR 70 N -0.60 0.00 -0.37 1.47 -2.24 -1.26 -3.55 114.28 107.73 1jfn n THR 70 Ca 0.45 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1jfn n THR 70 Cb 0.70 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1jfn n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jfn n ARG 71 N -0.69 0.00 -1.23 -0.78 1.74 -1.26 -0.87 116.66 113.57 1jfn n ARG 71 Ca 0.04 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 1jfn n ARG 71 Cb 0.55 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.11 1jfn n ARG 71 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1jfn n ASN 72 N 1.86 5.64 -4.73 0.55 6.94 -1.26 -2.30 115.26 121.96 1jfn n ASN 72 Ca 0.00 -3.63 -0.41 0.00 -0.02 0.00 0.00 54.58 50.51 1jfn n ASN 72 Cb 0.00 -0.90 -0.04 0.00 -2.36 0.00 0.00 39.78 36.48 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 -3.40 3.55 0.38 -2.53 1.51 -0.05 -4.26 117.35 112.54 1jfn s TYR 73 Ca 0.58 1.52 -0.25 0.00 -1.01 0.00 0.00 57.07 57.91 1jfn s TYR 73 Cb 0.47 -3.31 -0.09 0.00 -0.11 0.00 0.00 41.96 38.93 1jfn s TYR 73 CO 0.05 -0.77 1.07 0.00 -1.11 0.00 0.00 175.55 174.79 1jfn s ARG 75 N -2.27 2.04 -0.51 0.00 0.52 -1.10 -4.62 118.95 113.02 1jfn s ARG 75 Ca 0.55 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.54 1jfn s ARG 75 Cb -0.25 0.62 0.15 0.00 0.52 0.00 0.00 34.95 35.99 1jfn s ARG 75 CO 0.31 -0.95 0.33 1.21 0.02 0.00 0.00 175.30 176.22 1jfn s ASN 76 N -3.01 3.54 0.00 0.23 2.47 -1.26 0.10 114.94 117.01 1jfn s ASN 76 Ca 0.14 -3.05 0.22 0.00 0.42 0.00 0.00 52.86 50.59 1jfn s ASN 76 Cb -0.05 -1.10 1.32 0.00 -1.45 0.00 0.00 41.25 39.97 1jfn s ASN 76 CO 0.10 -0.20 1.70 -0.81 -3.72 0.00 0.00 177.10 174.17 1jfn n PRO 77 N 2.98 0.69 0.00 0.43 -0.04 -1.26 -2.56 135.00 135.23 1jfn n PRO 77 Ca 0.15 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1jfn n PRO 77 Cb 0.37 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 1jfn n PRO 77 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1jfn n ASP 78 N -1.01 0.84 -0.49 3.54 2.03 -1.26 -4.97 116.55 115.23 1jfn n ASP 78 Ca 0.17 -0.92 -0.06 0.00 0.52 0.00 0.00 54.79 54.49 1jfn n ASP 78 Cb 0.08 0.45 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfn n ALA 79 N -0.35 -0.10 -1.00 -1.67 0.00 -1.06 -4.96 120.51 111.38 1jfn n ALA 79 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1jfn n ALA 79 Cb 0.09 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.59 1.33 -0.30 0.00 2.13 -1.26 -4.68 120.64 117.26 1jfn n GLU 80 Ca -0.06 0.00 0.21 0.00 0.66 0.00 0.00 57.16 57.97 1jfn n GLU 80 Cb 0.49 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.71 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 -0.76 0.58 -2.20 6.31 -0.00 -1.90 -3.42 117.51 116.12 1jfn h ILE 81 Ca 0.00 -0.14 0.28 0.00 -0.00 0.00 0.00 64.86 65.00 1jfn h ILE 81 Cb 0.00 0.14 -0.05 0.00 -0.00 0.00 0.00 36.82 36.91 1jfn h ILE 81 CO 0.00 0.07 0.77 -0.24 -0.00 0.00 0.00 178.15 178.75 1jfn n SER 82 N -4.58 -1.27 -4.78 2.16 2.88 -1.26 -4.33 113.62 102.45 1jfn n SER 82 Ca 0.23 -1.41 -0.37 0.00 -1.33 0.00 0.00 58.87 55.99 1jfn n SER 82 Cb 0.81 2.00 -0.03 0.00 -0.75 0.00 0.00 64.21 66.25 1jfn n SER 82 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jfn s PRO 83 N -2.02 4.05 0.00 -1.46 0.04 -1.22 -4.68 135.00 129.72 1jfn s PRO 83 Ca 0.26 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1jfn s PRO 83 Cb -0.01 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1jfn s PRO 83 CO 0.01 -0.27 0.00 -2.67 0.04 0.00 0.00 177.00 174.11 1jfn n TRP 84 N -0.09 0.00 0.00 0.56 4.27 0.28 -2.11 117.44 120.35 1jfn n TRP 84 Ca 0.05 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 1jfn n TRP 84 Cb 0.48 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.43 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 -2.00 2.07 -0.13 0.00 2.02 -1.26 -1.65 117.35 116.40 1jfn s TYR 86 Ca 0.00 1.26 -0.06 0.00 -0.37 0.00 0.00 57.07 57.90 1jfn s TYR 86 Cb 0.00 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.34 1jfn s TYR 86 CO 0.00 -2.73 0.10 0.95 -1.57 0.00 0.00 175.55 172.30 1jfn s THR 87 N -2.84 5.13 -1.94 -0.71 -4.23 -1.14 0.19 115.64 110.10 1jfn s THR 87 Ca 0.65 0.07 0.15 0.00 -1.18 0.00 0.00 61.69 61.38 1jfn s THR 87 Cb -0.20 -3.25 0.41 0.00 1.34 0.00 0.00 72.50 70.81 1jfn s THR 87 CO 0.58 0.57 1.33 1.15 -0.54 0.00 0.00 174.62 177.70 1jfn n MET 88 N 2.49 0.44 -4.45 3.99 0.00 -0.77 -4.38 117.12 114.44 1jfn n MET 88 Ca -0.19 0.02 -0.34 0.00 0.00 0.00 0.00 57.70 57.19 1jfn n MET 88 Cb 0.54 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.16 1jfn n MET 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1jfn s ASP 89 N -2.06 4.98 0.00 3.17 -1.08 -1.26 -4.97 116.67 115.45 1jfn s ASP 89 Ca 0.22 0.05 0.16 0.00 -0.52 0.00 0.00 52.55 52.45 1jfn s ASP 89 Cb 0.10 -1.32 0.89 0.00 -1.46 0.00 0.00 42.92 41.13 1jfn s ASP 89 CO 0.18 0.35 1.41 -0.81 0.52 0.00 0.00 175.17 176.82 1jfn n PRO 90 N 2.00 0.38 0.00 4.34 -0.04 -1.26 -2.02 135.00 138.40 1jfn n PRO 90 Ca -0.17 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 1jfn n PRO 90 Cb 0.53 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 1jfn n PRO 90 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1jfn n ASN 91 N -1.13 0.61 -4.07 3.54 2.85 -1.26 -4.86 115.26 110.94 1jfn n ASN 91 Ca 0.10 -0.39 -0.19 0.00 -0.11 0.00 0.00 54.58 53.99 1jfn n ASN 91 Cb 0.09 0.22 -0.14 0.00 1.24 0.00 0.00 39.78 41.18 1jfn n ASN 91 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1jfn s VAL 92 N -2.88 0.84 -0.14 3.44 1.01 -0.86 -5.06 120.40 116.75 1jfn s VAL 92 Ca 0.14 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1jfn s VAL 92 Cb 0.18 -0.74 -0.06 0.00 0.00 0.00 0.00 36.38 35.76 1jfn s VAL 92 CO 0.66 0.10 -0.01 -0.09 0.00 0.00 0.00 175.10 175.76 1jfn h ARG 93 N 5.51 0.00 -2.97 2.72 2.43 -1.89 -3.38 114.38 116.79 1jfn h ARG 93 Ca -0.33 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.87 1jfn h ARG 93 Cb 1.18 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 1jfn h ARG 93 CO 0.47 0.21 0.23 1.67 -1.51 0.00 0.00 179.97 181.04 1jfn s TRP 94 N -2.06 -0.33 -0.07 2.20 1.48 -1.26 -2.89 118.94 116.01 1jfn s TRP 94 Ca -0.13 -0.01 -0.31 0.00 -1.06 0.00 0.00 56.10 54.59 1jfn s TRP 94 Cb 0.02 0.64 0.11 0.00 -1.16 0.00 0.00 33.47 33.09 1jfn s TRP 94 CO 0.24 -1.06 1.03 -2.00 -4.06 0.00 0.00 176.95 171.10 1jfn s GLU 95 N -3.82 0.63 0.91 3.25 2.56 -0.66 -4.88 118.70 116.68 1jfn s GLU 95 Ca 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 54.97 54.66 1jfn s GLU 95 Cb -0.04 0.28 0.14 0.00 2.00 0.00 0.00 34.13 36.51 1jfn s GLU 95 CO -0.02 -0.28 1.18 0.71 -0.56 0.00 0.00 175.26 176.30 1jfn s TYR 96 N -2.84 2.36 0.01 5.30 2.02 -1.26 -1.47 117.35 121.48 1jfn s TYR 96 Ca 0.07 0.70 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 1jfn s TYR 96 Cb -0.01 -3.56 -0.04 0.00 -0.40 0.00 0.00 41.96 37.96 1jfn s TYR 96 CO -0.07 -2.32 0.03 0.00 -1.57 0.00 0.00 175.55 171.62 1jfn n ASN 98 N 1.17 0.61 -4.04 0.00 3.02 -0.92 -4.64 115.26 110.47 1jfn n ASN 98 Ca -0.13 -1.60 -0.21 0.00 -0.03 0.00 0.00 54.58 52.61 1jfn n ASN 98 Cb 0.52 -1.35 -0.15 0.00 -0.61 0.00 0.00 39.78 38.19 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 11.14 1.89 0.25 3.41 1.43 -1.26 -3.93 118.68 131.62 1jfn s LEU 99 Ca 0.86 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.84 1jfn s LEU 99 Cb -0.22 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1jfn s LEU 99 CO 0.19 0.10 -0.01 0.42 0.23 0.00 0.00 176.35 177.28 1jfn s THR 100 N -0.01 3.45 -1.01 5.49 -4.23 -1.16 -4.74 115.64 113.44 1jfn s THR 100 Ca -0.00 -1.84 -0.24 0.00 -1.18 0.00 0.00 61.69 58.42 1jfn s THR 100 Cb -0.07 -2.82 -0.09 0.00 1.34 0.00 0.00 72.50 70.86 1jfn s THR 100 CO 0.00 -0.33 2.00 -1.58 -0.54 0.00 0.00 174.62 174.18 1jfn s GLN 101 N -3.52 2.33 0.24 3.99 0.74 -1.26 0.28 119.66 122.46 1jfn s GLN 101 Ca 0.30 -0.56 -0.14 0.00 0.05 0.00 0.00 55.36 55.01 1jfn s GLN 101 Cb -0.07 -5.10 0.30 0.00 1.10 0.00 0.00 33.01 29.25 1jfn s GLN 101 CO 0.19 -3.88 1.56 0.00 -0.55 0.00 0.00 175.29 172.61 1jfn s PRO 103 N -6.06 3.66 0.00 0.00 0.04 -1.26 -4.78 135.00 126.60 1jfn s PRO 103 Ca -0.14 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1jfn s PRO 103 Cb 0.22 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1jfn s PRO 103 CO 0.73 -1.46 0.00 0.28 0.04 0.00 0.00 177.00 176.60 1jfn n VAL 104 N 6.80 0.00 -4.29 -0.36 0.31 -1.26 -4.92 118.33 114.61 1jfn n VAL 104 Ca 0.18 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.26 1jfn n VAL 104 Cb 0.47 -0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.32 1jfn n VAL 104 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1jfn s THR 105 N 0.00 2.65 0.00 2.52 -1.32 -1.26 -5.12 115.64 113.11 1jfn s THR 105 Ca 0.00 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 1jfn s THR 105 Cb 0.00 -2.85 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 1jfn s THR 105 CO 0.00 -0.17 0.00 1.21 -2.21 0.00 0.00 174.62 173.45 1jfn n GLU 106 N -1.01 0.00 0.02 7.08 2.13 -1.26 -5.06 120.64 122.54 1jfn n GLU 106 Ca -0.04 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.56 1jfn n GLU 106 Cb 0.62 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.19 1jfn n GLU 106 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1jfn h SER 107 N 0.00 0.45 -3.83 4.31 0.02 -2.09 -3.47 113.55 108.94 1jfn h SER 107 Ca 0.00 -0.90 -0.30 0.00 -0.84 0.00 0.00 61.79 59.74 1jfn h SER 107 Cb 0.00 -0.15 -0.29 0.00 0.14 0.00 0.00 62.40 62.11 1jfn h SER 107 CO 0.00 1.76 -0.75 -0.44 -1.14 0.00 0.00 176.83 176.27 1jfn s SER 108 N -7.12 0.46 0.19 3.07 0.01 -1.26 -5.14 113.70 103.92 1jfn s SER 108 Ca -0.20 -0.07 -0.25 0.00 1.31 0.00 0.00 55.95 56.74 1jfn s SER 108 Cb 0.06 -0.07 -0.08 0.00 0.21 0.00 0.00 66.02 66.14 1jfn s SER 108 CO 0.79 0.04 0.79 0.54 0.41 0.00 0.00 173.24 175.81 1jfn s VAL 109 N -0.01 4.37 0.39 3.43 0.11 -1.26 -4.95 120.40 122.47 1jfn s VAL 109 Ca 0.01 1.67 0.09 0.00 -2.93 0.00 0.00 61.98 60.82 1jfn s VAL 109 Cb -0.02 -4.09 0.17 0.00 -1.53 0.00 0.00 36.38 30.90 1jfn s VAL 109 CO -0.00 0.44 1.93 0.17 -3.33 0.00 0.00 175.10 174.31 1jfn h LEU 110 N 4.07 0.25-10.31 2.54 8.10 -2.04 -3.43 115.31 114.49 1jfn h LEU 110 Ca -0.47 -0.05 -0.51 0.00 0.11 0.00 0.00 57.88 56.96 1jfn h LEU 110 Cb 1.20 -0.07 0.09 0.00 -0.44 0.00 0.00 40.66 41.45 1jfn h LEU 110 CO 0.66 0.38 0.36 0.00 -4.11 0.00 0.00 178.44 175.73 1jfn s ALA 111 N -4.81 2.64 -0.87 0.17 0.00 -1.26 -4.99 121.76 112.64 1jfn s ALA 111 Ca -0.06 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1jfn s ALA 111 Cb 0.16 -3.20 0.23 0.00 0.00 0.00 0.00 23.12 20.31 1jfn s ALA 111 CO 0.73 -1.22 0.81 0.99 0.00 0.00 0.00 175.76 177.07 1jfn s THR 112 N -2.92 5.58 -0.13 0.00 2.01 -1.26 -5.03 115.64 113.88 1jfn s THR 112 Ca 0.59 -2.67 -0.29 0.00 0.31 0.00 0.00 61.69 59.63 1jfn s THR 112 Cb -0.15 -4.43 -0.01 0.00 0.01 0.00 0.00 72.50 67.92 1jfn s THR 112 CO 0.52 -1.05 1.13 -0.94 -0.69 0.00 0.00 174.62 173.59 1jfn s SER 113 N 1.92 7.09 -0.19 3.53 1.04 -1.26 -5.00 113.70 120.82 1jfn s SER 113 Ca 0.20 1.62 -0.05 0.00 0.48 0.00 0.00 55.95 58.21 1jfn s SER 113 Cb -0.10 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.54 1jfn s SER 113 CO -0.09 -0.61 0.12 0.42 0.98 0.00 0.00 173.24 174.06 1jfn s THR 114 N 2.67 -0.13 -1.58 2.02 -4.23 -1.26 -4.99 115.64 108.13 1jfn s THR 114 Ca 0.51 -0.21 0.20 0.00 -1.18 0.00 0.00 61.69 61.02 1jfn s THR 114 Cb -0.20 -0.63 0.68 0.00 1.34 0.00 0.00 72.50 73.69 1jfn s THR 114 CO 0.16 -0.31 1.58 0.00 -0.54 0.00 0.00 174.62 175.51 1jfn n ALA 115 N 5.28 2.74 0.20 3.99 0.00 -1.26 -4.45 120.51 127.01 1jfn n ALA 115 Ca -0.07 -1.41 0.17 0.00 0.00 0.00 0.00 53.44 52.13 1jfn n ALA 115 Cb 0.48 -0.99 0.69 0.00 0.00 0.00 0.00 19.45 19.63 1jfn n ALA 115 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1jfn h VAL 116 N 4.15 0.15 -2.69 0.00 3.04 -2.03 -3.39 116.25 115.48 1jfn h VAL 116 Ca 0.00 0.00 -0.66 0.00 -1.01 0.00 0.00 66.70 65.03 1jfn h VAL 116 Cb 1.20 0.55 -0.07 0.00 -2.01 0.00 0.00 31.29 30.96 1jfn h VAL 116 CO 0.12 0.00 -0.48 -0.44 -1.01 0.00 0.00 177.57 175.76 1jfn s SER 117 N -4.55 6.40 -0.04 3.17 0.01 -1.26 -5.09 113.70 112.33 1jfn s SER 117 Ca -0.03 0.45 -0.01 0.00 1.31 0.00 0.00 55.95 57.67 1jfn s SER 117 Cb 0.11 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.31 1jfn s SER 117 CO 0.37 0.37 0.02 -0.70 0.41 0.00 0.00 173.24 173.71 1jfn s GLU 118 N -1.25 0.29 0.00 12.44 2.56 -1.26 -5.16 118.70 126.31 1jfn s GLU 118 Ca 0.18 0.16 0.20 0.00 0.00 0.00 0.00 54.97 55.52 1jfn s GLU 118 Cb -0.12 -0.63 0.16 0.00 2.00 0.00 0.00 34.13 35.54 1jfn s GLU 118 CO 0.08 -0.23 1.14 1.04 -0.56 0.00 0.00 175.26 176.73