#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 1.32 -3.58 0.00 0.00 -1.26 -5.08 116.66 108.06 1jfn n ARG 2 Ca 0.00 -2.43 -0.14 0.00 -0.00 0.00 0.00 57.85 55.29 1jfn n ARG 2 Cb 0.00 -0.59 -0.12 0.00 -0.00 0.00 0.00 32.46 31.75 1jfn n ARG 2 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1jfn s ILE 3 N -1.54 -0.43 -0.64 8.89 -1.09 -1.26 -5.08 121.20 120.05 1jfn s ILE 3 Ca 0.22 0.14 -0.31 0.00 -2.23 0.00 0.00 60.65 58.47 1jfn s ILE 3 Cb 0.41 -0.56 -0.14 0.00 -1.58 0.00 0.00 42.46 40.60 1jfn s ILE 3 CO -0.05 0.01 2.45 1.57 -1.23 0.00 0.00 174.94 177.69 1jfn n HIS 4 N 5.35 1.15 -1.68 3.97 -0.00 -1.26 -4.61 115.22 118.14 1jfn n HIS 4 Ca -0.06 0.27 0.03 0.00 0.46 0.00 0.00 57.72 58.42 1jfn n HIS 4 Cb 0.50 -2.51 -0.01 0.00 -0.12 0.00 0.00 29.99 27.85 1jfn n HIS 4 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1jfn n HIS 5 N 12.22 -1.80 -0.24 1.57 8.25 -1.26 -4.72 115.22 129.24 1jfn n HIS 5 Ca 0.49 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 1jfn n HIS 5 Cb 0.26 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1jfn n HIS 5 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1jfn n HIS 6 N -1.22 0.00 -4.46 4.41 1.44 -1.26 -5.09 115.22 109.04 1jfn n HIS 6 Ca 0.00 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1jfn n HIS 6 Cb 0.08 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.09 1jfn n HIS 6 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1jfn s HIS 7 N -0.24 2.02 0.05 -1.40 2.46 -1.26 -5.07 115.29 111.84 1jfn s HIS 7 Ca 0.00 -0.75 0.00 0.00 0.47 0.00 0.00 55.06 54.78 1jfn s HIS 7 Cb 0.00 -1.23 0.00 0.00 -0.13 0.00 0.00 32.58 31.22 1jfn s HIS 7 CO 0.00 0.24 0.00 0.72 -2.47 0.00 0.00 174.74 173.23 1jfn n HIS 8 N -0.65 -2.04 0.00 3.88 8.25 -1.26 -4.82 115.22 118.57 1jfn n HIS 8 Ca -0.05 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1jfn n HIS 8 Cb 0.65 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.49 1jfn n HIS 8 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1jfn n HIS 9 N -1.88 0.00 -3.29 4.41 -0.00 -1.26 -5.01 115.22 108.19 1jfn n HIS 9 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1jfn n HIS 9 Cb 0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.02 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 -1.50 -0.46 0.00 1.59 1.10 -1.26 -5.13 121.20 115.54 1jfn s ILE 10 Ca 0.00 -0.92 0.00 0.00 -0.51 0.00 0.00 60.65 59.22 1jfn s ILE 10 Cb 0.00 -0.53 0.00 0.00 0.15 0.00 0.00 42.46 42.08 1jfn s ILE 10 CO 0.00 -0.48 0.00 -0.62 -2.11 0.00 0.00 174.94 171.73 1jfn n GLU 11 N 4.07 0.39 0.00 3.50 -0.58 -1.26 -5.05 120.64 121.71 1jfn n GLU 11 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1jfn n GLU 11 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 1jfn n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jfn n GLY 12 N 4.81 0.00 3.32 0.62 0.00 -1.26 -5.02 105.19 107.67 1jfn n GLY 12 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jfn n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jfn s ARG 13 N -1.84 3.40 0.06 1.61 0.52 -1.26 -5.01 118.95 116.42 1jfn s ARG 13 Ca 0.00 -0.62 -0.38 0.00 -0.52 0.00 0.00 55.73 54.22 1jfn s ARG 13 Cb 0.00 -3.02 -0.21 0.00 0.52 0.00 0.00 34.95 32.24 1jfn s ARG 13 CO 0.00 -0.18 1.57 0.00 0.02 0.00 0.00 175.30 176.71 1jfn h ALA 14 N 8.07 -1.35 -1.84 2.13 0.00 -2.00 -3.39 119.26 120.88 1jfn h ALA 14 Ca -0.41 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 53.64 1jfn h ALA 14 Cb 1.16 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.42 1jfn h ALA 14 CO 0.60 -1.26 1.04 -1.25 0.00 0.00 0.00 179.25 178.38 1jfn s PRO 15 N -5.99 3.69 0.05 0.00 0.04 -1.26 -4.91 135.00 126.61 1jfn s PRO 15 Ca -0.20 1.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.62 1jfn s PRO 15 Cb 0.02 -3.98 -0.17 0.00 0.04 0.00 0.00 34.50 30.41 1jfn s PRO 15 CO 0.60 -1.42 1.52 1.15 0.04 0.00 0.00 177.00 178.89 1jfn h THR 16 N 6.30 0.98 -4.17 1.26 2.02 -2.04 -3.43 112.91 113.82 1jfn h THR 16 Ca -0.27 -0.39 -0.54 0.00 0.77 0.00 0.00 66.41 65.98 1jfn h THR 16 Cb 1.10 1.22 0.16 0.00 -1.74 0.00 0.00 68.15 68.89 1jfn h THR 16 CO 1.07 0.09 0.40 -1.83 0.37 0.00 0.00 175.52 175.63 1jfn s GLU 17 N -5.43 2.17 -0.33 6.66 -1.05 -1.26 -4.96 118.70 114.50 1jfn s GLU 17 Ca -0.14 1.78 0.12 0.00 -0.15 0.00 0.00 54.97 56.58 1jfn s GLU 17 Cb 0.04 -1.83 0.40 0.00 -0.44 0.00 0.00 34.13 32.29 1jfn s GLU 17 CO 0.64 -1.82 1.51 1.04 0.95 0.00 0.00 175.26 177.59 1jfn n GLN 18 N -2.66 1.32 -2.74 -4.83 6.02 -1.26 -5.12 117.38 108.11 1jfn n GLN 18 Ca 0.14 -1.18 -0.42 0.00 -0.01 0.00 0.00 57.00 55.52 1jfn n GLN 18 Cb 0.50 0.41 -0.03 0.00 1.02 0.00 0.00 30.24 32.13 1jfn n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jfn s SER 19 N -1.09 7.34 0.03 1.08 1.04 -1.26 -5.00 113.70 115.84 1jfn s SER 19 Ca 0.09 1.62 -0.30 0.00 0.48 0.00 0.00 55.95 57.84 1jfn s SER 19 Cb 0.43 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.94 1jfn s SER 19 CO -0.12 -0.24 1.28 -2.16 0.98 0.00 0.00 173.24 172.98 1jfn s PRO 20 N 0.96 4.36 0.00 4.02 0.04 -1.26 -5.01 135.00 138.10 1jfn s PRO 20 Ca 0.51 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1jfn s PRO 20 Cb -0.21 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1jfn s PRO 20 CO 0.27 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1jfn n GLY 21 N 3.40 -0.29 3.00 0.56 0.00 -1.26 -4.94 105.19 105.66 1jfn n GLY 21 Ca 0.11 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 1.66 -1.46 1.61 1.01 -1.26 -4.80 120.40 117.17 1jfn s VAL 22 Ca 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1jfn s VAL 22 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.63 1jfn s VAL 22 CO 0.00 0.14 0.21 1.67 0.00 0.00 0.00 175.10 177.12 1jfn n GLN 23 N 4.67 -1.17 -1.20 2.72 7.27 -1.26 -4.75 117.38 123.65 1jfn n GLN 23 Ca -0.14 0.14 -0.20 0.00 0.07 0.00 0.00 57.00 56.87 1jfn n GLN 23 Cb 0.46 -3.54 -0.12 0.00 2.41 0.00 0.00 30.24 29.45 1jfn n GLN 23 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1jfn n ASP 24 N -2.76 5.99 -2.51 1.69 2.03 -1.26 -4.83 116.55 114.90 1jfn n ASP 24 Ca -0.28 -2.72 -0.07 0.00 0.52 0.00 0.00 54.79 52.24 1jfn n ASP 24 Cb 0.67 -1.38 0.02 0.00 -0.72 0.00 0.00 41.12 39.72 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfn s TYR 26 N -3.31 0.49 -0.09 0.00 -0.85 0.34 -4.50 117.35 109.42 1jfn s TYR 26 Ca 0.14 -0.84 0.03 0.00 -0.52 0.00 0.00 57.07 55.88 1jfn s TYR 26 Cb -0.04 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.43 1jfn s TYR 26 CO 0.09 -1.00 -0.20 -3.38 -1.52 0.00 0.00 175.55 169.54 1jfn s HIS 27 N -3.88 2.24 0.00 -3.49 -3.43 -1.26 0.23 115.29 105.70 1jfn s HIS 27 Ca 0.24 -0.93 0.00 0.00 -0.80 0.00 0.00 55.06 53.58 1jfn s HIS 27 Cb -0.00 -1.53 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 1jfn s HIS 27 CO 0.10 -0.40 0.00 0.41 -2.00 0.00 0.00 174.74 172.86 1jfn n GLY 28 N 3.67 1.60 0.07 -1.38 0.00 -1.26 -2.27 105.19 105.62 1jfn n GLY 28 Ca -0.20 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 4.01 0.14 0.00 1.61 8.00 -1.26 -4.91 116.55 124.13 1jfn n ASP 29 Ca 0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1jfn n ASP 29 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1jfn n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfn n GLY 30 N -0.04 0.00 0.29 0.44 0.00 -0.96 -3.64 105.19 101.27 1jfn n GLY 30 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 1.00 0.00 1.61 4.15 -1.89 -1.25 115.11 118.73 1jfn h GLN 31 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1jfn h GLN 31 Cb 0.78 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1jfn h GLN 31 CO 0.00 0.82 0.00 0.43 -1.93 0.00 0.00 178.83 178.15 1jfn n SER 32 N -4.41 0.00 -4.54 -0.69 7.64 -1.26 -4.62 113.62 105.74 1jfn n SER 32 Ca 0.05 -0.41 -0.13 0.00 1.01 0.00 0.00 58.87 59.38 1jfn n SER 32 Cb 0.16 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 1jfn n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jfn n TYR 33 N -1.10 0.90 -0.63 1.43 4.19 -0.47 -4.67 117.16 116.82 1jfn n TYR 33 Ca 0.13 -0.12 -0.18 0.00 3.31 0.00 0.00 57.90 61.05 1jfn n TYR 33 Cb 0.10 -2.48 0.11 0.00 0.49 0.00 0.00 39.34 37.56 1jfn n TYR 33 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1jfn n ARG 34 N 8.07 1.91 0.00 2.98 1.74 -1.26 -4.85 116.66 125.24 1jfn n ARG 34 Ca 0.41 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.39 1jfn n ARG 34 Cb 0.46 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1jfn n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfn n GLY 35 N -0.55 1.77 2.59 -0.13 0.00 -1.26 -5.05 105.19 102.56 1jfn n GLY 35 Ca 0.42 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 1jfn n GLY 35 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jfn n SER 36 N 0.00 3.06 -3.35 1.61 3.41 -1.26 -4.71 113.62 112.38 1jfn n SER 36 Ca 0.00 -3.34 -0.29 0.00 -0.26 0.00 0.00 58.87 54.98 1jfn n SER 36 Cb 0.00 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.37 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 -0.14 1.24 -0.28 7.33 7.35 -1.26 -4.68 117.46 127.01 1jfn n PHE 37 Ca 0.27 -1.57 -0.02 0.00 -0.76 0.00 0.00 57.45 55.37 1jfn n PHE 37 Cb 0.61 -1.45 -0.03 0.00 0.35 0.00 0.00 39.48 38.95 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 5.98 2.01 -3.91 -2.13 7.64 -1.23 -3.42 113.62 118.55 1jfn n SER 38 Ca 0.41 -1.70 -0.19 0.00 1.01 0.00 0.00 58.87 58.39 1jfn n SER 38 Cb 0.24 -0.48 -0.16 0.00 -1.01 0.00 0.00 64.21 62.80 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 1.73 0.54 0.62 0.44 2.01 -1.26 -4.18 115.64 115.54 1jfn s THR 39 Ca 0.12 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1jfn s THR 39 Cb 0.06 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 72.07 1jfn s THR 39 CO 0.00 0.21 0.89 0.42 -0.69 0.00 0.00 174.62 175.45 1jfn s THR 40 N 0.72 2.57 0.29 -0.82 -4.23 -1.23 -4.01 115.64 108.93 1jfn s THR 40 Ca -0.10 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1jfn s THR 40 Cb -0.13 -3.03 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1jfn s THR 40 CO 0.00 -0.03 1.89 0.58 -0.54 0.00 0.00 174.62 176.52 1jfn h VAL 41 N -0.24 1.04 0.00 2.29 2.07 0.27 0.15 116.25 121.82 1jfn h VAL 41 Ca -0.43 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1jfn h VAL 41 Cb 1.30 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1jfn h VAL 41 CO 0.56 0.19 0.00 0.41 0.02 0.00 0.00 177.57 178.75 1jfn n THR 42 N -4.51 0.14 -0.99 2.57 -1.04 -1.26 -4.72 114.28 104.45 1jfn n THR 42 Ca 0.15 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1jfn n THR 42 Cb 0.23 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 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 0.19 0.57 0.00 3.41 0.00 0.51 -5.01 105.19 104.86 1jfn n GLY 43 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.55 0.85 -4.04 1.61 3.00 -1.26 -4.78 116.66 109.50 1jfn n ARG 44 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1jfn n ARG 44 Cb 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.34 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 -0.12 2.41 0.59 5.15 2.01 -1.26 -3.54 115.64 120.88 1jfn s THR 45 Ca 0.00 -1.20 -0.18 0.00 0.31 0.00 0.00 61.69 60.61 1jfn s THR 45 Cb 0.00 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1jfn s THR 45 CO 0.00 0.22 1.18 0.00 -0.69 0.00 0.00 174.62 175.33 1jfn s GLN 47 N -3.41 3.97 0.74 0.00 -0.44 -0.91 -3.77 119.66 115.84 1jfn s GLN 47 Ca 0.75 0.40 -0.17 0.00 -2.50 0.00 0.00 55.36 53.84 1jfn s GLN 47 Cb -0.27 -3.70 -0.12 0.00 -1.64 0.00 0.00 33.01 27.27 1jfn s GLN 47 CO 0.33 -0.53 -0.19 0.43 0.50 0.00 0.00 175.29 175.82 1jfn n SER 48 N 5.86 -3.88 0.13 6.67 7.64 -1.26 -4.33 113.62 124.44 1jfn n SER 48 Ca -0.00 0.47 -0.01 0.00 1.01 0.00 0.00 58.87 60.34 1jfn n SER 48 Cb 0.49 -0.91 0.14 0.00 -1.01 0.00 0.00 64.21 62.92 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 -0.48 0.00 0.00 1.43 4.06 -1.86 -2.77 115.95 116.33 1jfn h TRP 49 Ca -0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.52 1jfn h TRP 49 Cb 1.37 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.53 1jfn h TRP 49 CO 0.25 0.63 0.00 0.45 -3.56 0.00 0.00 178.44 176.22 1jfn n SER 50 N -3.62 0.00 -4.74 -3.49 2.88 -1.26 -4.32 113.62 99.08 1jfn n SER 50 Ca -0.01 -1.25 -0.41 0.00 -1.33 0.00 0.00 58.87 55.87 1jfn n SER 50 Cb 0.66 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.09 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 -1.63 6.96 -0.00 -3.46 0.01 -1.05 -4.91 113.70 109.62 1jfn s SER 51 Ca 0.25 2.33 0.05 0.00 1.31 0.00 0.00 55.95 59.88 1jfn s SER 51 Cb 0.11 -2.61 0.15 0.00 0.21 0.00 0.00 66.02 63.88 1jfn s SER 51 CO 0.19 -0.48 1.12 0.23 0.41 0.00 0.00 173.24 174.71 1jfn n MET 52 N 2.69 2.93 -0.03 12.44 0.00 -1.26 -4.24 117.12 129.65 1jfn n MET 52 Ca 0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 57.70 55.97 1jfn n MET 52 Cb 0.44 -1.13 -0.01 0.00 0.00 0.00 0.00 33.22 32.52 1jfn n MET 52 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1jfn h THR 53 N 0.96 0.00 0.00 2.03 1.35 -1.99 -3.45 112.91 111.81 1jfn h THR 53 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1jfn h THR 53 Cb 0.61 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1jfn h THR 53 CO 0.00 0.00 0.00 -0.81 -0.25 0.00 0.00 175.52 174.46 1jfn n PRO 54 N -3.44 0.00 -3.39 4.72 -0.04 -1.26 -4.85 135.00 126.75 1jfn n PRO 54 Ca -0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 1jfn n PRO 54 Cb 0.12 -0.10 -0.06 0.00 -0.04 0.00 0.00 33.50 33.42 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 3.49 0.12 0.54 3.76 -1.26 -5.07 115.29 116.88 1jfn s HIS 55 Ca 0.00 0.79 -0.11 0.00 -0.15 0.00 0.00 55.06 55.59 1jfn s HIS 55 Cb 0.00 -2.48 -0.06 0.00 1.11 0.00 0.00 32.58 31.15 1jfn s HIS 55 CO 0.00 0.19 0.46 -0.46 -0.85 0.00 0.00 174.74 174.08 1jfn s TRP 56 N 0.57 3.56 0.00 1.40 -0.11 -1.26 -4.43 118.94 118.67 1jfn s TRP 56 Ca 0.23 0.85 0.00 0.00 1.22 0.00 0.00 56.10 58.40 1jfn s TRP 56 Cb -0.14 -2.22 0.00 0.00 -1.50 0.00 0.00 33.47 29.61 1jfn s TRP 56 CO 0.08 0.45 0.00 0.72 -4.62 0.00 0.00 176.95 173.58 1jfn n HIS 57 N 0.66 0.00 -2.90 5.86 8.25 -1.26 -4.88 115.22 120.95 1jfn n HIS 57 Ca -0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.38 1jfn n HIS 57 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 1jfn n HIS 57 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1jfn n GLN 58 N 5.21 -2.52 -3.19 -0.41 6.02 -1.26 -4.26 117.38 116.98 1jfn n GLN 58 Ca 0.00 2.09 -0.23 0.00 -0.01 0.00 0.00 57.00 58.85 1jfn n GLN 58 Cb 0.00 -2.69 0.02 0.00 1.02 0.00 0.00 30.24 28.59 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 1.96 -2.12 -4.28 -1.09 3.00 -1.26 -4.97 116.66 107.90 1jfn n ARG 59 Ca -0.15 1.75 -0.15 0.00 -0.00 0.00 0.00 57.85 59.30 1jfn n ARG 59 Cb 0.29 -3.67 -0.10 0.00 0.00 0.00 0.00 32.46 28.97 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 -1.94 0.33 -0.51 5.15 -1.32 -1.26 -4.76 115.64 111.32 1jfn s THR 60 Ca 0.30 -2.00 0.18 0.00 -1.21 0.00 0.00 61.69 58.96 1jfn s THR 60 Cb -0.05 -2.57 0.18 0.00 -1.51 0.00 0.00 72.50 68.55 1jfn s THR 60 CO 0.79 0.00 1.54 0.35 -2.21 0.00 0.00 174.62 175.09 1jfn n THR 61 N -0.42 1.14 0.18 5.08 -2.24 -1.26 -0.37 114.28 116.38 1jfn n THR 61 Ca 0.01 0.49 0.04 0.00 -2.27 0.00 0.00 64.05 62.32 1jfn n THR 61 Cb 0.66 -1.44 0.31 0.00 -2.10 0.00 0.00 70.33 67.76 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 -0.02 -0.78 4.57 -1.95 -2.06 114.58 114.34 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 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1jfn h GLU 62 CO 0.00 0.42 -0.18 0.66 -1.18 0.00 0.00 179.01 178.73 1jfn n TYR 63 N -3.62 0.00 -3.36 0.92 4.02 0.50 -4.80 117.16 110.83 1jfn n TYR 63 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1jfn n TYR 63 Cb 0.52 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.76 1jfn n TYR 63 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jfn s TYR 64 N -2.18 -0.76 0.15 -0.72 2.02 -0.66 -4.95 117.35 110.24 1jfn s TYR 64 Ca 0.24 0.35 0.13 0.00 -0.37 0.00 0.00 57.07 57.42 1jfn s TYR 64 Cb 0.19 -0.19 0.27 0.00 -0.40 0.00 0.00 41.96 41.83 1jfn s TYR 64 CO 0.40 -0.86 1.54 -1.00 -1.57 0.00 0.00 175.55 174.07 1jfn h PRO 65 N 8.20 0.00 -1.25 -1.71 0.13 -1.87 -3.29 132.00 132.21 1jfn h PRO 65 Ca -0.14 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.40 1jfn h PRO 65 Cb 1.12 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.84 1jfn h PRO 65 CO 0.29 0.62 -0.58 -1.71 -0.23 0.00 0.00 178.00 176.40 1jfn n ASN 66 N -3.54 5.10 -0.09 1.44 5.15 -1.26 -4.67 115.26 117.40 1jfn n ASN 66 Ca -0.00 -3.74 -0.08 0.00 -0.60 0.00 0.00 54.58 50.16 1jfn n ASN 66 Cb 0.68 -0.48 -0.15 0.00 -0.53 0.00 0.00 39.78 39.30 1jfn n ASN 66 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jfn n GLY 67 N -0.59 -0.93 1.07 8.20 0.00 -1.24 -4.98 105.19 106.73 1jfn n GLY 67 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.81 0.74 2.58 -0.02 0.00 -1.26 -4.94 105.19 104.10 1jfn n GLY 68 Ca -0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 6.19 -4.66 0.99 4.77 -1.26 -4.87 117.00 118.16 1jfn n LEU 69 Ca 0.00 -3.45 -0.41 0.00 -0.03 0.00 0.00 56.01 52.11 1jfn n LEU 69 Cb 0.00 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 39.76 1jfn n LEU 69 CO 0.00 1.00 0.58 -0.89 -1.33 0.00 0.00 177.39 176.75 1jfn s THR 70 N 3.19 4.89 0.00 -5.08 2.01 -1.26 -4.57 115.64 114.82 1jfn s THR 70 Ca 0.51 1.52 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1jfn s THR 70 Cb 0.13 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.55 1jfn s THR 70 CO -0.03 -0.00 0.00 -1.14 -0.69 0.00 0.00 174.62 172.76 1jfn n ARG 71 N 5.55 0.00 -2.46 4.92 0.63 -1.26 -3.14 116.66 120.90 1jfn n ARG 71 Ca 0.04 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.55 1jfn n ARG 71 Cb 0.48 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.40 1jfn n ARG 71 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1jfn n ASN 72 N -0.08 6.27 -4.60 6.15 4.05 -1.26 -3.77 115.26 122.02 1jfn n ASN 72 Ca 0.00 -3.25 -0.35 0.00 0.45 0.00 0.00 54.58 51.43 1jfn n ASN 72 Cb 0.00 -1.37 -0.10 0.00 1.23 0.00 0.00 39.78 39.54 1jfn n ASN 72 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1jfn s TYR 73 N -1.22 3.21 0.23 1.20 2.02 -1.19 -3.55 117.35 118.06 1jfn s TYR 73 Ca 0.40 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.79 1jfn s TYR 73 Cb 0.11 -2.10 -0.09 0.00 -0.40 0.00 0.00 41.96 39.49 1jfn s TYR 73 CO -0.00 0.07 1.25 0.00 -1.57 0.00 0.00 175.55 175.30 1jfn s ARG 75 N -0.65 1.18 -0.58 0.00 3.00 -1.05 -4.58 118.95 116.27 1jfn s ARG 75 Ca 0.52 -1.52 0.06 0.00 0.00 0.00 0.00 55.73 54.80 1jfn s ARG 75 Cb -0.35 0.29 0.23 0.00 0.00 0.00 0.00 34.95 35.12 1jfn s ARG 75 CO 0.41 -0.40 0.65 -1.71 0.00 0.00 0.00 175.30 174.25 1jfn n ASN 76 N -0.24 2.69 0.00 0.23 5.15 -1.26 -0.22 115.26 121.60 1jfn n ASN 76 Ca -0.00 -3.20 0.09 0.00 -0.60 0.00 0.00 54.58 50.86 1jfn n ASN 76 Cb 0.65 -0.67 0.47 0.00 -0.53 0.00 0.00 39.78 39.70 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 1.22 0.32 -0.00 1.20 -0.04 -1.26 -2.13 135.00 134.30 1jfn n PRO 77 Ca 0.27 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 1jfn n PRO 77 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.23 0.86 -2.94 3.54 9.92 -1.26 -5.00 116.55 120.44 1jfn n ASP 78 Ca 0.09 -0.61 -0.17 0.00 -0.53 0.00 0.00 54.79 53.57 1jfn n ASP 78 Cb 0.13 1.25 0.07 0.00 -0.64 0.00 0.00 41.12 41.92 1jfn n ASP 78 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1jfn n ALA 79 N -1.62 -1.22 -1.78 2.24 0.00 -0.91 -5.02 120.51 112.20 1jfn n ALA 79 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1jfn n ALA 79 Cb 0.32 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.09 1jfn n ALA 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jfn n GLU 80 N -3.88 2.08 -0.36 0.00 1.02 -1.26 -4.88 120.64 113.36 1jfn n GLU 80 Ca -0.07 0.00 0.36 0.00 -0.02 0.00 0.00 57.16 57.43 1jfn n GLU 80 Cb 0.58 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.73 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1jfn h ILE 81 N -0.05 0.38 -2.35 -3.67 -0.00 -1.93 -3.44 117.51 106.44 1jfn h ILE 81 Ca 0.00 -0.01 0.25 0.00 -0.00 0.00 0.00 64.86 65.10 1jfn h ILE 81 Cb 0.00 0.33 -0.05 0.00 -0.00 0.00 0.00 36.82 37.11 1jfn h ILE 81 CO 0.00 0.01 0.74 -1.54 -0.00 0.00 0.00 178.15 177.36 1jfn n SER 82 N -4.22 -1.47 -4.80 2.16 3.41 -1.24 -4.31 113.62 103.16 1jfn n SER 82 Ca 0.27 -1.58 -0.33 0.00 -0.26 0.00 0.00 58.87 56.96 1jfn n SER 82 Cb 1.28 2.34 -0.01 0.00 -0.26 0.00 0.00 64.21 67.57 1jfn n SER 82 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1jfn s PRO 83 N -2.03 3.49 0.00 4.33 0.04 -1.25 -4.77 135.00 134.81 1jfn s PRO 83 Ca 0.26 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1jfn s PRO 83 Cb -0.02 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1jfn s PRO 83 CO 0.02 -0.68 0.00 -2.67 0.04 0.00 0.00 177.00 173.71 1jfn n TRP 84 N -1.55 0.00 -3.65 0.56 4.27 0.69 -2.42 117.44 115.35 1jfn n TRP 84 Ca 0.09 0.00 -0.05 0.00 -3.89 0.00 0.00 57.50 53.66 1jfn n TRP 84 Cb 0.52 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.40 1jfn n TRP 84 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfn n TYR 86 N 1.82 -1.95 -4.81 0.00 4.01 -1.26 0.45 117.16 115.42 1jfn n TYR 86 Ca -0.11 -0.10 -0.26 0.00 -0.16 0.00 0.00 57.90 57.26 1jfn n TYR 86 Cb 0.57 -0.25 -0.16 0.00 -0.31 0.00 0.00 39.34 39.19 1jfn n TYR 86 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1jfn s THR 87 N -1.05 1.41 -1.78 -0.72 -4.23 -1.14 -2.15 115.64 105.97 1jfn s THR 87 Ca 0.10 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1jfn s THR 87 Cb -0.02 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.60 1jfn s THR 87 CO 0.09 0.41 0.54 0.80 -0.54 0.00 0.00 174.62 175.91 1jfn n MET 88 N 3.29 0.60 -4.74 3.99 1.56 0.45 -3.66 117.12 118.61 1jfn n MET 88 Ca -0.19 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 56.96 1jfn n MET 88 Cb 0.53 -1.07 -0.14 0.00 2.15 0.00 0.00 33.22 34.69 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 -1.18 2.84 0.00 6.12 1.11 -1.26 -4.92 116.67 119.38 1jfn s ASP 89 Ca 0.00 -0.57 0.04 0.00 0.18 0.00 0.00 52.55 52.20 1jfn s ASP 89 Cb 0.00 -0.24 0.23 0.00 1.07 0.00 0.00 42.92 43.98 1jfn s ASP 89 CO 0.00 0.20 0.93 -0.81 1.18 0.00 0.00 175.17 176.67 1jfn n PRO 90 N 1.74 0.76 0.00 8.23 -0.04 -1.26 -2.50 135.00 141.93 1jfn n PRO 90 Ca -0.17 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1jfn n PRO 90 Cb 0.53 -1.08 0.01 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.58 1.71 -3.93 3.54 3.02 -1.26 -4.94 115.26 112.82 1jfn n ASN 91 Ca 0.03 -1.35 -0.18 0.00 -0.03 0.00 0.00 54.58 53.05 1jfn n ASN 91 Cb 0.01 0.38 -0.15 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.73 0.47 -0.08 2.41 1.01 -1.04 -5.05 120.40 116.39 1jfn s VAL 92 Ca 0.14 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1jfn s VAL 92 Cb 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 1jfn s VAL 92 CO 0.35 0.17 0.42 -0.09 0.00 0.00 0.00 175.10 175.94 1jfn h ARG 93 N 6.52 -0.16 -3.45 2.72 2.43 -1.92 -3.39 114.38 117.14 1jfn h ARG 93 Ca -0.34 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.79 1jfn h ARG 93 Cb 1.17 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1jfn h ARG 93 CO 0.49 0.10 0.03 1.67 -1.51 0.00 0.00 179.97 180.75 1jfn s TRP 94 N -2.41 0.29 -0.21 2.20 1.48 -1.26 -2.90 118.94 116.14 1jfn s TRP 94 Ca -0.07 -0.72 -0.25 0.00 -1.06 0.00 0.00 56.10 54.01 1jfn s TRP 94 Cb -0.00 0.40 0.07 0.00 -1.16 0.00 0.00 33.47 32.77 1jfn s TRP 94 CO 0.24 -1.19 0.66 -2.00 -4.06 0.00 0.00 176.95 170.61 1jfn s GLU 95 N -3.52 0.83 1.09 3.25 2.56 0.17 -4.80 118.70 118.28 1jfn s GLU 95 Ca 0.20 0.78 -0.12 0.00 0.00 0.00 0.00 54.97 55.82 1jfn s GLU 95 Cb -0.03 0.40 0.24 0.00 2.00 0.00 0.00 34.13 36.75 1jfn s GLU 95 CO 0.11 -0.14 1.06 0.71 -0.56 0.00 0.00 175.26 176.43 1jfn s TYR 96 N 0.02 1.64 -0.03 5.30 2.02 -1.26 -0.55 117.35 124.49 1jfn s TYR 96 Ca -0.02 1.15 -0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1jfn s TYR 96 Cb -0.04 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.32 1jfn s TYR 96 CO 0.03 -3.46 0.03 0.00 -1.57 0.00 0.00 175.55 170.57 1jfn n ASN 98 N 1.57 0.56 -4.01 0.00 3.02 -1.26 -4.55 115.26 110.59 1jfn n ASN 98 Ca -0.15 -1.95 -0.08 0.00 -0.03 0.00 0.00 54.58 52.36 1jfn n ASN 98 Cb 0.53 -1.41 -0.11 0.00 -0.61 0.00 0.00 39.78 38.18 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 12.34 2.32 0.12 3.41 1.43 -1.26 -3.54 118.68 133.49 1jfn s LEU 99 Ca 0.71 -0.65 -0.24 0.00 -1.03 0.00 0.00 54.13 52.91 1jfn s LEU 99 Cb -0.11 0.13 0.08 0.00 0.03 0.00 0.00 46.19 46.31 1jfn s LEU 99 CO 0.16 -0.39 0.66 0.42 0.23 0.00 0.00 176.35 177.43 1jfn s THR 100 N -2.21 0.00 -0.80 5.49 -4.23 -1.26 -4.77 115.64 107.86 1jfn s THR 100 Ca -0.09 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.18 1jfn s THR 100 Cb -0.05 -1.00 -0.18 0.00 1.34 0.00 0.00 72.50 72.62 1jfn s THR 100 CO -0.04 0.00 2.45 0.00 -0.54 0.00 0.00 174.62 176.49 1jfn n GLN 101 N -0.28 0.44 -1.22 3.99 6.02 -1.21 0.13 117.38 125.25 1jfn n GLN 101 Ca -0.16 -0.18 -0.56 0.00 -0.01 0.00 0.00 57.00 56.10 1jfn n GLN 101 Cb 0.64 -2.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.32 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jfn h PRO 103 N 7.37 0.00 -0.01 0.00 0.13 -1.89 -3.22 132.00 134.38 1jfn h PRO 103 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1jfn h PRO 103 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1jfn h PRO 103 CO 0.96 0.02 -0.71 0.28 -0.23 0.00 0.00 178.00 178.33 1jfn n VAL 104 N -3.11 0.00 -0.59 1.56 0.31 -1.26 -4.98 118.33 110.27 1jfn n VAL 104 Ca 0.04 -0.15 -0.30 0.00 -0.01 0.00 0.00 64.34 63.92 1jfn n VAL 104 Cb 0.53 1.12 0.27 0.00 -0.91 0.00 0.00 33.84 34.84 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 -2.63 1.53 -0.27 2.52 -1.32 -1.22 -5.06 115.64 109.19 1jfn s THR 105 Ca 0.12 0.00 -0.36 0.00 -1.21 0.00 0.00 61.69 60.24 1jfn s THR 105 Cb 0.16 -2.17 0.16 0.00 -1.51 0.00 0.00 72.50 69.15 1jfn s THR 105 CO 0.68 0.00 1.35 -1.83 -2.21 0.00 0.00 174.62 172.61 1jfn s GLU 106 N -4.96 0.08 0.28 7.08 1.03 -1.26 -5.10 118.70 115.85 1jfn s GLU 106 Ca 0.69 -0.02 -0.08 0.00 0.03 0.00 0.00 54.97 55.59 1jfn s GLU 106 Cb -0.16 0.04 -0.00 0.00 -0.80 0.00 0.00 34.13 33.20 1jfn s GLU 106 CO 0.59 -0.03 0.45 -1.54 -1.33 0.00 0.00 175.26 173.40 1jfn s SER 107 N -1.86 0.28 -0.13 0.83 1.04 -1.26 -5.15 113.70 107.45 1jfn s SER 107 Ca 0.11 -1.18 0.02 0.00 0.48 0.00 0.00 55.95 55.38 1jfn s SER 107 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1jfn s SER 107 CO -0.04 -1.19 -0.21 -0.44 0.98 0.00 0.00 173.24 172.35 1jfn s SER 108 N -3.11 3.24 -0.63 7.02 0.01 -1.26 -5.08 113.70 113.90 1jfn s SER 108 Ca 0.27 -0.55 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1jfn s SER 108 Cb 0.00 -1.46 0.16 0.00 0.21 0.00 0.00 66.02 64.93 1jfn s SER 108 CO 0.13 0.11 0.54 -0.69 0.41 0.00 0.00 173.24 173.74 1jfn s VAL 109 N 0.63 4.84 -0.02 3.43 1.01 -1.26 -5.05 120.40 123.98 1jfn s VAL 109 Ca -0.11 -2.13 -0.22 0.00 0.00 0.00 0.00 61.98 59.52 1jfn s VAL 109 Cb -0.16 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1jfn s VAL 109 CO 0.02 -0.90 0.65 -0.76 0.00 0.00 0.00 175.10 174.12 1jfn s LEU 110 N 0.80 4.39 0.00 3.92 1.43 -1.26 -4.94 118.68 123.02 1jfn s LEU 110 Ca 0.11 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.50 1jfn s LEU 110 Cb -0.21 -3.02 0.27 0.00 0.03 0.00 0.00 46.19 43.26 1jfn s LEU 110 CO -0.03 0.02 1.21 0.00 0.23 0.00 0.00 176.35 177.78 1jfn n ALA 111 N 3.09 2.48 -2.09 4.21 0.00 -1.26 -3.71 120.51 123.23 1jfn n ALA 111 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1jfn n ALA 111 Cb 0.51 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 1jfn n ALA 111 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jfn n THR 112 N 0.11 0.00 -0.91 0.00 -1.04 -1.26 -4.92 114.28 106.26 1jfn n THR 112 Ca 0.08 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 1jfn n THR 112 Cb 0.19 0.47 -0.05 0.00 -1.82 0.00 0.00 70.33 69.11 1jfn n THR 112 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1jfn n SER 113 N 0.09 5.75 -4.35 8.00 3.41 -1.24 -4.85 113.62 120.43 1jfn n SER 113 Ca -0.01 -2.71 -0.33 0.00 -0.26 0.00 0.00 58.87 55.55 1jfn n SER 113 Cb 0.73 -1.22 -0.14 0.00 -0.26 0.00 0.00 64.21 63.32 1jfn n SER 113 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1jfn s THR 114 N -0.57 3.11 0.00 6.66 2.01 -1.26 -5.08 115.64 120.50 1jfn s THR 114 Ca 0.37 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1jfn s THR 114 Cb 0.21 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1jfn s THR 114 CO -0.04 0.50 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 1jfn n ALA 115 N 3.88 0.00 -3.81 7.40 0.00 -1.26 -5.11 120.51 121.61 1jfn n ALA 115 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 1jfn n ALA 115 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.85 1jfn n ALA 115 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jfn s VAL 116 N -2.49 2.19 -0.22 0.00 1.01 -1.26 -5.08 120.40 114.55 1jfn s VAL 116 Ca 0.00 -3.47 -0.08 0.00 0.00 0.00 0.00 61.98 58.43 1jfn s VAL 116 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1jfn s VAL 116 CO 0.00 -0.96 0.08 -0.44 0.00 0.00 0.00 175.10 173.78 1jfn s SER 117 N -0.59 5.45 -0.23 3.32 0.01 -1.26 -5.06 113.70 115.34 1jfn s SER 117 Ca 0.22 -0.06 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 1jfn s SER 117 Cb -0.13 -1.96 0.09 0.00 0.21 0.00 0.00 66.02 64.23 1jfn s SER 117 CO -0.09 0.06 0.17 -1.61 0.41 0.00 0.00 173.24 172.18 1jfn s GLU 118 N 1.06 0.17 0.00 12.44 2.02 -1.26 -5.32 118.70 127.81 1jfn s GLU 118 Ca 0.05 -0.10 0.28 0.00 0.02 0.00 0.00 54.97 55.22 1jfn s GLU 118 Cb -0.14 -1.30 1.03 0.00 0.10 0.00 0.00 34.13 33.82 1jfn s GLU 118 CO 0.03 -0.80 1.73 1.04 0.02 0.00 0.00 175.26 177.29