#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 -2.77 -3.58 0.00 3.00 -1.26 -4.86 116.66 107.20 1jfn n ARG 2 Ca 0.00 2.15 -0.25 0.00 -0.01 0.00 0.00 57.85 59.74 1jfn n ARG 2 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 32.46 29.08 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 -3.75 5.16 0.32 0.55 -1.09 -1.26 -4.97 121.20 116.16 1jfn s ILE 3 Ca 0.00 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.96 1jfn s ILE 3 Cb 0.00 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1jfn s ILE 3 CO 0.00 -0.36 0.00 1.41 -1.23 0.00 0.00 174.94 174.76 1jfn n HIS 4 N -1.24 -3.58 0.64 3.97 8.25 -1.26 -4.51 115.22 117.49 1jfn n HIS 4 Ca -0.05 1.72 0.07 0.00 -0.26 0.00 0.00 57.72 59.20 1jfn n HIS 4 Cb 0.55 -3.18 0.04 0.00 1.12 0.00 0.00 29.99 28.52 1jfn n HIS 4 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jfn n HIS 5 N -4.10 0.00 -3.56 4.41 -0.00 -1.26 -4.77 115.22 105.94 1jfn n HIS 5 Ca 0.01 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.91 1jfn n HIS 5 Cb 0.63 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.38 1jfn n HIS 5 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1jfn s HIS 6 N -1.48 1.55 0.38 1.57 2.46 -1.26 -5.12 115.29 113.39 1jfn s HIS 6 Ca 0.15 -2.31 -0.04 0.00 0.47 0.00 0.00 55.06 53.34 1jfn s HIS 6 Cb 0.12 -1.40 0.08 0.00 -0.13 0.00 0.00 32.58 31.25 1jfn s HIS 6 CO 0.27 -0.78 0.52 1.58 -2.47 0.00 0.00 174.74 173.85 1jfn n HIS 7 N 3.21 -3.57 0.00 3.88 -0.00 -1.26 -5.09 115.22 112.40 1jfn n HIS 7 Ca 0.18 -0.67 0.00 0.00 0.46 0.00 0.00 57.72 57.70 1jfn n HIS 7 Cb 0.40 -0.39 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 1jfn n HIS 7 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1jfn n HIS 8 N -2.41 0.00 -3.35 1.57 1.44 -1.26 -4.64 115.22 106.56 1jfn n HIS 8 Ca 0.07 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.60 1jfn n HIS 8 Cb 0.26 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.44 1jfn n HIS 8 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1jfn n HIS 9 N 0.00 -2.26 -2.24 -1.40 -0.00 -1.26 -5.00 115.22 103.07 1jfn n HIS 9 Ca 0.00 0.81 -0.26 0.00 -0.00 0.00 0.00 57.72 58.27 1jfn n HIS 9 Cb 0.00 -4.24 0.08 0.00 -0.00 0.00 0.00 29.99 25.83 1jfn n HIS 9 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1jfn s ILE 10 N -3.26 2.26 0.00 3.57 1.01 -1.26 -5.06 121.20 118.46 1jfn s ILE 10 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1jfn s ILE 10 Cb -0.19 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1jfn s ILE 10 CO 0.58 0.00 0.00 1.21 0.00 0.00 0.00 174.94 176.73 1jfn n GLU 11 N -2.95 0.00 -3.08 2.79 2.13 -1.26 -5.02 120.64 113.24 1jfn n GLU 11 Ca 0.09 0.30 -0.16 0.00 0.66 0.00 0.00 57.16 58.05 1jfn n GLU 11 Cb 0.60 -0.79 0.02 0.00 0.27 0.00 0.00 31.44 31.54 1jfn n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jfn n GLY 12 N 1.91 -1.11 2.44 8.31 0.00 -1.26 -4.96 105.19 110.52 1jfn n GLY 12 Ca 0.00 1.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.76 1jfn n GLY 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1jfn n ARG 13 N 0.03 1.50 -4.05 1.61 0.63 -1.26 -5.09 116.66 110.02 1jfn n ARG 13 Ca 0.02 -3.98 -0.25 0.00 -0.92 0.00 0.00 57.85 52.73 1jfn n ARG 13 Cb 0.48 -1.86 -0.04 0.00 0.45 0.00 0.00 32.46 31.48 1jfn n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1jfn s ALA 14 N -1.51 3.68 0.04 5.13 0.00 -1.26 -5.03 121.76 122.81 1jfn s ALA 14 Ca 0.35 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1jfn s ALA 14 Cb 0.10 -1.46 -0.21 0.00 0.00 0.00 0.00 23.12 21.55 1jfn s ALA 14 CO -0.10 0.43 1.17 -1.00 0.00 0.00 0.00 175.76 176.26 1jfn h PRO 15 N 2.05 0.54 -0.55 0.00 0.13 -2.06 -3.18 132.00 128.93 1jfn h PRO 15 Ca -0.48 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 1jfn h PRO 15 Cb 1.21 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1jfn h PRO 15 CO 0.63 1.16 0.00 0.25 -0.23 0.00 0.00 178.00 179.82 1jfn n THR 16 N -4.11 0.82 -1.69 1.56 -2.24 -1.26 -4.91 114.28 102.45 1jfn n THR 16 Ca -0.10 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.72 1jfn n THR 16 Cb 0.71 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1jfn n THR 16 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jfn s GLU 17 N -1.66 4.14 0.00 -0.78 2.12 -1.21 -4.65 118.70 116.66 1jfn s GLU 17 Ca 0.24 2.61 0.00 0.00 0.36 0.00 0.00 54.97 58.17 1jfn s GLU 17 Cb 0.15 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.63 1jfn s GLU 17 CO 0.12 -0.91 0.00 0.94 -0.54 0.00 0.00 175.26 174.87 1jfn n GLN 18 N 6.73 0.00 0.16 4.30 7.27 -1.26 -4.97 117.38 129.62 1jfn n GLN 18 Ca 0.19 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.15 1jfn n GLN 18 Cb 0.40 -0.04 -0.06 0.00 2.41 0.00 0.00 30.24 32.95 1jfn n GLN 18 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1jfn h SER 19 N 0.00 -0.40 -3.20 1.69 0.02 -2.04 -3.43 113.55 106.19 1jfn h SER 19 Ca 0.00 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.29 1jfn h SER 19 Cb 0.00 0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1jfn h SER 19 CO 0.00 0.05 0.56 -2.16 -1.14 0.00 0.00 176.83 174.14 1jfn s PRO 20 N -3.73 4.43 -0.29 3.45 0.04 -1.26 -5.00 135.00 132.64 1jfn s PRO 20 Ca -0.11 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 1jfn s PRO 20 Cb 0.01 -3.34 0.18 0.00 0.04 0.00 0.00 34.50 31.39 1jfn s PRO 20 CO 0.38 -0.25 1.15 0.20 0.04 0.00 0.00 177.00 178.52 1jfn s GLY 21 N 1.01 0.29 -0.07 0.56 0.00 -1.26 -5.00 107.32 102.85 1jfn s GLY 21 Ca 0.59 3.44 -0.30 0.00 0.00 0.00 0.00 44.72 48.45 1jfn s GLY 21 CO 0.30 2.53 1.20 0.14 0.00 0.00 0.00 173.10 177.27 1jfn s VAL 22 N 0.98 4.27 0.00 1.40 1.01 -1.26 -4.90 120.40 121.89 1jfn s VAL 22 Ca -0.06 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1jfn s VAL 22 Cb -0.03 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1jfn s VAL 22 CO -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 174.96 1jfn n GLN 23 N 5.34 0.00 -0.35 2.72 6.02 -1.26 -5.17 117.38 124.68 1jfn n GLN 23 Ca 0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.91 1jfn n GLN 23 Cb 0.46 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.89 1jfn n GLN 23 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1jfn n ASP 24 N 0.00 -2.65 -1.11 1.08 -0.08 -1.26 -5.06 116.55 107.47 1jfn n ASP 24 Ca 0.00 -0.70 -0.00 0.00 -1.51 0.00 0.00 54.79 52.57 1jfn n ASP 24 Cb 0.00 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 42.84 1jfn n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1jfn s TYR 26 N -8.19 0.37 -0.39 0.00 -0.85 0.37 -4.46 117.35 104.21 1jfn s TYR 26 Ca 0.01 -0.76 0.02 0.00 -0.52 0.00 0.00 57.07 55.83 1jfn s TYR 26 Cb -0.00 0.26 0.11 0.00 0.38 0.00 0.00 41.96 42.71 1jfn s TYR 26 CO 0.01 -1.08 0.15 -1.58 -1.52 0.00 0.00 175.55 171.52 1jfn s HIS 27 N -3.75 2.61 0.00 -3.49 5.65 -1.26 0.34 115.29 115.40 1jfn s HIS 27 Ca 0.22 -2.52 0.00 0.00 0.25 0.00 0.00 55.06 53.01 1jfn s HIS 27 Cb -0.02 -2.29 0.00 0.00 -1.18 0.00 0.00 32.58 29.09 1jfn s HIS 27 CO 0.10 -0.85 0.00 0.41 -0.65 0.00 0.00 174.74 173.75 1jfn n GLY 28 N 4.05 1.53 2.58 1.59 0.00 -1.26 -4.62 105.19 109.06 1jfn n GLY 28 Ca 0.04 -0.80 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 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 0.15 2.38 0.00 1.61 8.00 -1.26 -4.90 116.55 122.53 1jfn n ASP 29 Ca 0.00 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.04 1jfn n ASP 29 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 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 -0.60 0.64 3.81 0.44 0.00 -0.89 -3.53 105.19 105.06 1jfn n GLY 30 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1jfn n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jfn s GLN 31 N -0.42 3.00 0.00 1.61 2.00 -1.26 -3.16 119.66 121.43 1jfn s GLN 31 Ca 0.00 1.07 0.00 0.00 -2.00 0.00 0.00 55.36 54.43 1jfn s GLN 31 Cb 0.00 -2.00 0.00 0.00 0.80 0.00 0.00 33.01 31.81 1jfn s GLN 31 CO 0.00 -1.05 0.00 0.45 -0.50 0.00 0.00 175.29 174.19 1jfn n SER 32 N -2.77 0.00 -3.51 6.67 2.88 -1.26 -4.74 113.62 110.89 1jfn n SER 32 Ca 0.08 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.24 1jfn n SER 32 Cb 0.53 -1.00 -0.04 0.00 -0.75 0.00 0.00 64.21 62.95 1jfn n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jfn n TYR 33 N -2.00 1.78 0.02 0.66 9.36 -1.19 -4.63 117.16 121.16 1jfn n TYR 33 Ca 0.00 -1.87 0.05 0.00 3.32 0.00 0.00 57.90 59.39 1jfn n TYR 33 Cb 0.00 -1.71 0.45 0.00 -0.63 0.00 0.00 39.34 37.45 1jfn n TYR 33 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1jfn h ARG 34 N 7.44 0.48 -6.10 2.98 2.43 -1.91 -3.43 114.38 116.26 1jfn h ARG 34 Ca 0.44 -0.03 -0.76 0.00 -0.81 0.00 0.00 59.98 58.82 1jfn h ARG 34 Cb 0.54 -0.11 0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1jfn h ARG 34 CO 1.83 0.32 0.34 0.41 -1.51 0.00 0.00 179.97 181.35 1jfn n GLY 35 N -1.48 0.12 2.65 2.80 0.00 -1.26 -4.67 105.19 103.35 1jfn n GLY 35 Ca 0.03 0.79 -0.15 0.00 0.00 0.00 0.00 46.02 46.69 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 2.48 3.45 -4.05 1.61 3.41 -1.26 -4.64 113.62 114.62 1jfn n SER 36 Ca 0.21 -2.19 -0.31 0.00 -0.26 0.00 0.00 58.87 56.33 1jfn n SER 36 Cb 0.10 -0.89 -0.11 0.00 -0.26 0.00 0.00 64.21 63.05 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 4.16 0.76 -0.32 7.33 7.35 -1.26 -4.59 117.46 130.89 1jfn n PHE 37 Ca 0.31 -0.55 -0.02 0.00 -0.76 0.00 0.00 57.45 56.43 1jfn n PHE 37 Cb 0.14 -1.77 -0.02 0.00 0.35 0.00 0.00 39.48 38.18 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 13.96 2.68 -4.18 -2.13 7.64 -1.24 -2.89 113.62 127.46 1jfn n SER 38 Ca 0.45 -1.79 -0.20 0.00 1.01 0.00 0.00 58.87 58.34 1jfn n SER 38 Cb 0.44 -0.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.28 1.20 0.46 0.44 2.01 -1.26 -3.77 115.64 116.01 1jfn s THR 39 Ca 0.10 -1.20 0.08 0.00 0.31 0.00 0.00 61.69 60.98 1jfn s THR 39 Cb 0.05 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.47 1jfn s THR 39 CO 0.00 -0.09 0.62 0.42 -0.69 0.00 0.00 174.62 174.88 1jfn s THR 40 N -1.07 2.74 0.11 -0.82 -4.23 0.08 -3.73 115.64 108.72 1jfn s THR 40 Ca 0.01 -1.02 -0.23 0.00 -1.18 0.00 0.00 61.69 59.27 1jfn s THR 40 Cb -0.09 -2.76 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 1jfn s THR 40 CO 0.02 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.38 1jfn h VAL 41 N 0.53 0.78 0.00 2.29 2.07 0.26 0.24 116.25 122.42 1jfn h VAL 41 Ca -0.37 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1jfn h VAL 41 Cb 1.28 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1jfn h VAL 41 CO 0.45 0.00 0.05 0.41 0.02 0.00 0.00 177.57 178.49 1jfn n THR 42 N -5.21 1.02 0.00 2.57 -1.04 -1.26 -4.64 114.28 105.72 1jfn n THR 42 Ca -0.05 0.73 0.00 0.00 -2.04 0.00 0.00 64.05 62.68 1jfn n THR 42 Cb 0.13 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 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 -1.30 0.45 0.99 3.41 0.00 0.06 -5.08 105.19 103.71 1jfn n GLY 43 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.88 -0.82 -4.43 1.61 1.74 -1.26 -4.60 116.66 107.01 1jfn n ARG 44 Ca 0.00 -0.51 -0.34 0.00 -0.77 0.00 0.00 57.85 56.23 1jfn n ARG 44 Cb 0.00 -0.39 -0.12 0.00 -1.02 0.00 0.00 32.46 30.93 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jfn s THR 45 N -1.68 3.86 -0.01 0.55 2.01 -1.26 -0.75 115.64 118.37 1jfn s THR 45 Ca 0.20 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 1jfn s THR 45 Cb -0.01 -2.68 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1jfn s THR 45 CO 0.14 0.51 1.01 0.00 -0.69 0.00 0.00 174.62 175.58 1jfn s GLN 47 N 1.14 4.21 0.63 0.00 2.00 0.73 -4.23 119.66 124.14 1jfn s GLN 47 Ca 0.52 2.37 -0.17 0.00 -2.00 0.00 0.00 55.36 56.08 1jfn s GLN 47 Cb -0.22 -3.16 -0.11 0.00 0.80 0.00 0.00 33.01 30.32 1jfn s GLN 47 CO 0.27 -0.61 0.09 0.43 -0.50 0.00 0.00 175.29 174.97 1jfn n SER 48 N 4.00 -2.79 0.17 6.67 7.64 -1.26 -4.26 113.62 123.80 1jfn n SER 48 Ca 0.14 0.60 0.02 0.00 1.01 0.00 0.00 58.87 60.64 1jfn n SER 48 Cb 0.38 -1.00 0.31 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.15 0.00 0.00 1.43 4.06 -1.78 -2.44 115.95 117.06 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 1.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.56 1jfn h TRP 49 CO 0.27 0.43 0.00 0.45 -3.56 0.00 0.00 178.44 176.04 1jfn n SER 50 N -3.99 0.28 -4.56 -3.49 2.88 -1.26 -4.74 113.62 98.73 1jfn n SER 50 Ca -0.02 -1.80 -0.43 0.00 -1.33 0.00 0.00 58.87 55.29 1jfn n SER 50 Cb 0.46 -0.14 -0.05 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.79 6.47 -0.33 -3.46 0.15 -0.92 -4.89 113.70 109.93 1jfn s SER 51 Ca 0.00 0.04 0.09 0.00 0.70 0.00 0.00 55.95 56.78 1jfn s SER 51 Cb 0.00 -2.43 0.66 0.00 -1.71 0.00 0.00 66.02 62.54 1jfn s SER 51 CO 0.00 -0.99 1.73 0.23 1.20 0.00 0.00 173.24 175.40 1jfn n MET 52 N 6.98 2.92 -0.04 5.44 2.81 -1.26 -4.50 117.12 129.47 1jfn n MET 52 Ca 0.05 -3.07 -0.04 0.00 -1.81 0.00 0.00 57.70 52.83 1jfn n MET 52 Cb 0.48 -2.09 -0.01 0.00 -0.71 0.00 0.00 33.22 30.89 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 -0.62 0.65 0.00 2.03 -2.24 -1.26 -4.81 114.28 108.03 1jfn n THR 53 Ca 0.42 0.35 0.00 0.00 -2.27 0.00 0.00 64.05 62.54 1jfn n THR 53 Cb 1.33 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 -3.35 0.00 -2.90 -0.78 -0.04 -1.26 -4.76 135.00 121.91 1jfn n PRO 54 Ca -0.06 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 1jfn n PRO 54 Cb 0.21 -0.08 -0.05 0.00 -0.04 0.00 0.00 33.50 33.55 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 3.02 0.02 0.54 3.76 -1.26 -5.03 115.29 116.33 1jfn s HIS 55 Ca 0.00 0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 55.18 1jfn s HIS 55 Cb 0.00 -3.66 -0.06 0.00 1.11 0.00 0.00 32.58 29.97 1jfn s HIS 55 CO 0.00 -0.92 0.43 -0.46 -0.85 0.00 0.00 174.74 172.94 1jfn s TRP 56 N 3.38 3.73 0.11 1.40 -0.11 -1.26 -4.70 118.94 121.49 1jfn s TRP 56 Ca 0.33 1.02 -0.09 0.00 1.22 0.00 0.00 56.10 58.58 1jfn s TRP 56 Cb -0.12 -2.31 0.03 0.00 -1.50 0.00 0.00 33.47 29.58 1jfn s TRP 56 CO 0.21 0.63 0.45 -2.39 -4.62 0.00 0.00 176.95 171.23 1jfn n HIS 57 N 1.75 -1.12 -2.26 5.86 1.44 -1.26 -5.07 115.22 114.56 1jfn n HIS 57 Ca -0.13 -0.66 0.01 0.00 -2.01 0.00 0.00 57.72 54.93 1jfn n HIS 57 Cb 0.52 0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.96 1jfn n HIS 57 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1jfn n GLN 58 N -0.31 0.00 -0.15 -1.40 7.27 -1.26 -4.82 117.38 116.70 1jfn n GLN 58 Ca -0.02 -1.46 0.11 0.00 0.07 0.00 0.00 57.00 55.70 1jfn n GLN 58 Cb 0.27 -0.13 0.29 0.00 2.41 0.00 0.00 30.24 33.08 1jfn n GLN 58 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1jfn n ARG 59 N 0.26 2.10 -0.23 3.69 0.63 -1.26 -4.61 116.66 117.24 1jfn n ARG 59 Ca 0.01 -1.66 -0.08 0.00 -0.92 0.00 0.00 57.85 55.20 1jfn n ARG 59 Cb 0.92 -1.44 0.08 0.00 0.45 0.00 0.00 32.46 32.47 1jfn n ARG 59 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1jfn n THR 60 N 0.87 0.00 0.63 5.15 5.66 -1.26 -4.73 114.28 120.61 1jfn n THR 60 Ca 0.17 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.28 1jfn n THR 60 Cb 0.45 -0.26 0.45 0.00 -1.55 0.00 0.00 70.33 69.42 1jfn n THR 60 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1jfn n THR 61 N -3.50 0.63 0.23 1.09 5.66 -1.26 -2.45 114.28 114.68 1jfn n THR 61 Ca 0.04 0.09 0.15 0.00 -3.05 0.00 0.00 64.05 61.27 1jfn n THR 61 Cb 0.16 -0.83 0.80 0.00 -1.55 0.00 0.00 70.33 68.90 1jfn n THR 61 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1jfn h GLU 62 N 0.00 0.00 -0.46 1.09 4.57 -1.90 1.00 114.58 118.88 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 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1jfn h GLU 62 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 1jfn n TYR 63 N -4.05 0.60 -3.93 0.92 4.02 -1.02 -4.85 117.16 108.84 1jfn n TYR 63 Ca -0.00 -0.30 -0.20 0.00 -0.01 0.00 0.00 57.90 57.39 1jfn n TYR 63 Cb 0.22 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.40 0.55 -1.52 -0.72 2.02 0.34 -4.99 117.35 111.63 1jfn s TYR 64 Ca 0.40 -0.10 0.22 0.00 -0.37 0.00 0.00 57.07 57.21 1jfn s TYR 64 Cb 0.22 -0.62 1.13 0.00 -0.40 0.00 0.00 41.96 42.29 1jfn s TYR 64 CO 0.31 -0.22 1.70 -0.35 -1.57 0.00 0.00 175.55 175.42 1jfn n PRO 65 N 4.53 0.37 -1.65 -1.71 -0.04 -1.26 -3.01 135.00 132.24 1jfn n PRO 65 Ca -0.18 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 1jfn n PRO 65 Cb 0.50 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1jfn n PRO 65 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1jfn n ASN 66 N -1.24 2.87 -4.18 3.54 5.15 -1.26 -4.92 115.26 115.22 1jfn n ASN 66 Ca 0.11 -3.29 -0.39 0.00 -0.60 0.00 0.00 54.58 50.41 1jfn n ASN 66 Cb 0.16 -0.42 -0.04 0.00 -0.53 0.00 0.00 39.78 38.95 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 -0.66 4.19 1.65 8.20 0.00 -1.16 -4.89 105.19 112.51 1jfn n GLY 67 Ca 0.25 -2.60 -0.03 0.00 0.00 0.00 0.00 46.02 43.64 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 2.39 2.63 0.38 -0.02 0.00 -1.26 -3.73 105.19 105.58 1jfn n GLY 68 Ca 0.23 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 1.80 2.92 -4.22 0.99 -0.00 -1.26 -4.91 117.00 112.31 1jfn n LEU 69 Ca 0.12 -3.00 -0.34 0.00 -0.00 0.00 0.00 56.01 52.79 1jfn n LEU 69 Cb 0.62 -0.45 0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1jfn n LEU 69 CO 0.04 0.69 -0.70 1.07 -0.00 0.00 0.00 177.39 178.49 1jfn n THR 70 N -1.02 0.00 -4.67 1.47 5.66 -1.24 -2.86 114.28 111.61 1jfn n THR 70 Ca 0.17 -0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1jfn n THR 70 Cb 0.71 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.16 1jfn n THR 70 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1jfn n ARG 71 N 0.18 0.00 -3.03 1.09 0.63 -1.26 -3.32 116.66 110.95 1jfn n ARG 71 Ca 0.03 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 56.59 1jfn n ARG 71 Cb 0.56 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.45 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 1.95 5.70 -4.31 6.15 4.05 -1.26 -2.54 115.26 124.99 1jfn n ASN 72 Ca 0.00 -3.51 -0.32 0.00 0.45 0.00 0.00 54.58 51.19 1jfn n ASN 72 Cb 0.00 -1.01 -0.15 0.00 1.23 0.00 0.00 39.78 39.84 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 -3.10 2.67 0.53 1.20 2.02 -1.14 -3.69 117.35 115.85 1jfn s TYR 73 Ca 0.37 -0.76 -0.20 0.00 -0.37 0.00 0.00 57.07 56.11 1jfn s TYR 73 Cb 0.13 -1.75 -0.06 0.00 -0.40 0.00 0.00 41.96 39.88 1jfn s TYR 73 CO 0.00 -0.25 1.15 0.00 -1.57 0.00 0.00 175.55 174.88 1jfn s ARG 75 N -3.14 0.95 -0.50 0.00 6.06 -1.26 -4.62 118.95 116.44 1jfn s ARG 75 Ca 0.71 -0.58 0.07 0.00 -2.50 0.00 0.00 55.73 53.43 1jfn s ARG 75 Cb -0.26 0.42 0.24 0.00 0.06 0.00 0.00 34.95 35.41 1jfn s ARG 75 CO 0.30 -0.34 0.60 -1.71 -2.50 0.00 0.00 175.30 171.64 1jfn n ASN 76 N 0.17 1.68 -0.11 -2.12 5.15 -1.26 -1.78 115.26 116.98 1jfn n ASN 76 Ca -0.17 -2.99 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 1jfn n ASN 76 Cb 0.62 -0.65 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 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 1.31 1.01 0.00 1.20 -0.04 -1.26 -3.11 135.00 134.11 1jfn n PRO 77 Ca 0.25 -0.01 0.05 0.00 -0.04 0.00 0.00 63.50 63.74 1jfn n PRO 77 Cb 0.47 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.39 1.19 -1.28 3.54 2.03 -1.26 -4.98 116.55 115.39 1jfn n ASP 78 Ca 0.00 -1.09 -0.12 0.00 0.52 0.00 0.00 54.79 54.10 1jfn n ASP 78 Cb 0.06 0.45 -0.01 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 -0.24 -0.33 -2.05 -1.67 0.00 -1.18 -5.01 120.51 110.04 1jfn n ALA 79 Ca 0.04 0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 1jfn n ALA 79 Cb 0.20 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.24 1jfn n ALA 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1jfn s GLU 80 N -4.39 2.84 0.37 0.00 -6.30 -1.26 -4.92 118.70 105.04 1jfn s GLU 80 Ca 0.00 0.00 0.19 0.00 -2.50 0.00 0.00 54.97 52.66 1jfn s GLU 80 Cb 0.00 -2.24 1.20 0.00 0.00 0.00 0.00 34.13 33.09 1jfn s GLU 80 CO 0.00 -0.78 1.64 0.97 0.02 0.00 0.00 175.26 177.11 1jfn h ILE 81 N -0.25 0.21 -4.01 -3.70 -0.00 -1.91 -3.37 117.51 104.47 1jfn h ILE 81 Ca -0.45 -0.07 -0.12 0.00 -0.00 0.00 0.00 64.86 64.22 1jfn h ILE 81 Cb 1.26 -0.02 -0.13 0.00 -0.00 0.00 0.00 36.82 37.92 1jfn h ILE 81 CO 0.61 0.04 -0.42 -0.94 -0.00 0.00 0.00 178.15 177.43 1jfn s SER 82 N -4.76 0.14 1.10 2.19 1.04 -1.23 -2.09 113.70 110.09 1jfn s SER 82 Ca -0.09 -0.91 -0.09 0.00 0.48 0.00 0.00 55.95 55.34 1jfn s SER 82 Cb 0.31 0.37 0.13 0.00 0.10 0.00 0.00 66.02 66.93 1jfn s SER 82 CO 0.79 -0.80 0.50 -0.81 0.98 0.00 0.00 173.24 173.90 1jfn n PRO 83 N -0.14 -1.77 -3.59 4.02 -0.04 -1.26 -4.90 135.00 127.33 1jfn n PRO 83 Ca -0.09 -0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 62.47 1jfn n PRO 83 Cb 0.63 -0.71 -0.03 0.00 -0.04 0.00 0.00 33.50 33.35 1jfn n PRO 83 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1jfn s TRP 84 N -1.94 -0.33 -0.13 0.54 1.48 -0.74 -3.34 118.94 114.47 1jfn s TRP 84 Ca 0.32 0.04 -0.31 0.00 -1.06 0.00 0.00 56.10 55.09 1jfn s TRP 84 Cb -0.03 0.49 0.13 0.00 -1.16 0.00 0.00 33.47 32.90 1jfn s TRP 84 CO 0.24 -0.89 1.06 0.00 -4.06 0.00 0.00 176.95 173.29 1jfn s TYR 86 N -2.08 1.87 -0.06 0.00 2.02 -1.26 -2.16 117.35 115.67 1jfn s TYR 86 Ca 0.04 1.70 -0.14 0.00 -0.37 0.00 0.00 57.07 58.30 1jfn s TYR 86 Cb -0.01 -3.36 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 1jfn s TYR 86 CO -0.04 -2.65 0.37 0.95 -1.57 0.00 0.00 175.55 172.61 1jfn s THR 87 N -2.43 5.15 0.16 -0.71 -4.23 -1.24 0.26 115.64 112.59 1jfn s THR 87 Ca 0.69 0.74 0.14 0.00 -1.18 0.00 0.00 61.69 62.08 1jfn s THR 87 Cb -0.25 -3.68 0.14 0.00 1.34 0.00 0.00 72.50 70.05 1jfn s THR 87 CO 0.53 0.51 1.33 0.00 -0.54 0.00 0.00 174.62 176.46 1jfn h MET 88 N 5.39 0.00 -6.12 3.99 -0.00 0.21 -3.27 114.93 115.13 1jfn h MET 88 Ca -0.48 0.00 -0.68 0.00 -0.00 0.00 0.00 59.70 58.53 1jfn h MET 88 Cb 1.20 0.00 -0.20 0.00 -0.00 0.00 0.00 31.60 32.60 1jfn h MET 88 CO 0.66 0.00 -0.71 0.34 -0.00 0.00 0.00 176.91 177.20 1jfn s ASP 89 N -3.47 4.53 0.10 -0.10 2.15 -1.26 -4.82 116.67 113.80 1jfn s ASP 89 Ca -0.02 -0.06 0.17 0.00 0.43 0.00 0.00 52.55 53.07 1jfn s ASP 89 Cb 0.04 -1.15 0.73 0.00 -0.30 0.00 0.00 42.92 42.24 1jfn s ASP 89 CO 0.13 0.35 1.53 -0.81 -0.17 0.00 0.00 175.17 176.20 1jfn n PRO 90 N 2.32 0.07 0.25 4.34 -0.04 -1.26 -1.92 135.00 138.77 1jfn n PRO 90 Ca -0.18 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 63.78 1jfn n PRO 90 Cb 0.53 -1.65 0.56 0.00 -0.04 0.00 0.00 33.50 32.90 1jfn n PRO 90 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1jfn h ASN 91 N 0.00 0.00 -3.42 3.54 -0.26 -1.93 -3.42 115.58 110.09 1jfn h ASN 91 Ca 0.00 0.00 -0.66 0.00 -0.56 0.00 0.00 56.30 55.08 1jfn h ASN 91 Cb 0.27 0.00 -0.27 0.00 -1.06 0.00 0.00 38.32 37.26 1jfn h ASN 91 CO 0.00 0.00 -0.78 -0.69 -1.06 0.00 0.00 177.43 174.90 1jfn s VAL 92 N -3.54 2.96 -0.01 2.81 1.01 -0.81 -5.03 120.40 117.79 1jfn s VAL 92 Ca 0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 1jfn s VAL 92 Cb 0.08 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 1jfn s VAL 92 CO 0.56 0.54 0.80 -0.09 0.00 0.00 0.00 175.10 176.91 1jfn h ARG 93 N 6.52 -0.65 -2.99 2.72 1.12 -1.83 -3.37 114.38 115.91 1jfn h ARG 93 Ca -0.28 0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.66 1jfn h ARG 93 Cb 1.21 0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 31.29 1jfn h ARG 93 CO 0.54 -0.43 0.26 1.67 -3.11 0.00 0.00 179.97 178.90 1jfn s TRP 94 N -3.76 -0.02 -0.24 2.20 1.48 -1.26 -3.74 118.94 113.61 1jfn s TRP 94 Ca -0.10 -0.56 -0.28 0.00 -1.06 0.00 0.00 56.10 54.10 1jfn s TRP 94 Cb 0.01 0.78 0.16 0.00 -1.16 0.00 0.00 33.47 33.26 1jfn s TRP 94 CO 0.29 -1.41 1.18 -2.00 -4.06 0.00 0.00 176.95 170.95 1jfn s GLU 95 N -3.01 0.34 1.31 3.25 2.56 -0.92 -4.86 118.70 117.37 1jfn s GLU 95 Ca 0.14 0.18 -0.22 0.00 0.00 0.00 0.00 54.97 55.07 1jfn s GLU 95 Cb -0.05 0.16 0.33 0.00 2.00 0.00 0.00 34.13 36.57 1jfn s GLU 95 CO 0.09 -0.09 1.04 0.71 -0.56 0.00 0.00 175.26 176.46 1jfn s TYR 96 N -0.65 -0.19 0.08 5.30 1.51 -1.26 -2.25 117.35 119.89 1jfn s TYR 96 Ca 0.04 0.45 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1jfn s TYR 96 Cb -0.02 -3.27 -0.04 0.00 -0.11 0.00 0.00 41.96 38.52 1jfn s TYR 96 CO -0.05 -4.43 -0.08 0.00 -1.11 0.00 0.00 175.55 169.87 1jfn n ASN 98 N 0.88 0.01 -3.92 0.00 4.13 -1.18 -4.36 115.26 110.82 1jfn n ASN 98 Ca -0.13 -1.27 -0.11 0.00 1.68 0.00 0.00 54.58 54.75 1jfn n ASN 98 Cb 0.52 -1.11 -0.12 0.00 -1.54 0.00 0.00 39.78 37.53 1jfn n ASN 98 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1jfn s LEU 99 N 7.71 2.03 0.14 3.41 1.43 -1.26 -3.96 118.68 128.19 1jfn s LEU 99 Ca 0.93 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.61 1jfn s LEU 99 Cb -0.37 0.13 0.06 0.00 0.03 0.00 0.00 46.19 46.04 1jfn s LEU 99 CO 0.27 -0.17 0.52 0.42 0.23 0.00 0.00 176.35 177.62 1jfn s THR 100 N -0.77 0.03 -0.58 5.49 -4.23 -1.26 -4.83 115.64 109.49 1jfn s THR 100 Ca -0.08 -0.23 -0.27 0.00 -1.18 0.00 0.00 61.69 59.92 1jfn s THR 100 Cb -0.05 -1.06 -0.10 0.00 1.34 0.00 0.00 72.50 72.62 1jfn s THR 100 CO -0.00 -0.13 2.46 0.00 -0.54 0.00 0.00 174.62 176.41 1jfn n GLN 101 N -0.29 0.86 -1.47 3.99 6.02 -1.26 0.14 117.38 125.37 1jfn n GLN 101 Ca -0.17 0.02 -0.52 0.00 -0.01 0.00 0.00 57.00 56.33 1jfn n GLN 101 Cb 0.64 -3.01 -0.05 0.00 1.02 0.00 0.00 30.24 28.84 1jfn n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jfn n PRO 103 N 1.29 0.31 -0.03 0.00 -0.04 -1.26 -2.31 135.00 132.97 1jfn n PRO 103 Ca 0.18 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1jfn n PRO 103 Cb 0.20 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.66 1jfn n PRO 103 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jfn n VAL 104 N -1.22 0.07 -1.99 0.52 0.31 -1.26 -4.77 118.33 109.99 1jfn n VAL 104 Ca 0.09 -0.26 -0.28 0.00 -0.01 0.00 0.00 64.34 63.89 1jfn n VAL 104 Cb 0.12 0.36 -0.05 0.00 -0.91 0.00 0.00 33.84 33.36 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 -1.93 3.38 0.48 2.52 -1.32 -0.98 -4.93 115.64 112.87 1jfn s THR 105 Ca 0.36 -0.22 -0.19 0.00 -1.21 0.00 0.00 61.69 60.43 1jfn s THR 105 Cb 0.20 -3.87 -0.14 0.00 -1.51 0.00 0.00 72.50 67.18 1jfn s THR 105 CO 0.31 -0.82 0.13 -1.84 -2.21 0.00 0.00 174.62 170.18 1jfn n GLU 106 N 8.92 0.17 -0.20 7.08 0.28 -1.26 -4.93 120.64 130.68 1jfn n GLU 106 Ca 0.37 0.06 -0.06 0.00 -0.16 0.00 0.00 57.16 57.38 1jfn n GLU 106 Cb 0.48 -1.20 0.05 0.00 1.43 0.00 0.00 31.44 32.20 1jfn n GLU 106 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jfn n SER 107 N 1.92 -1.23 0.00 -1.84 2.88 -1.26 -4.86 113.62 109.24 1jfn n SER 107 Ca 0.10 -0.62 0.10 0.00 -1.33 0.00 0.00 58.87 57.12 1jfn n SER 107 Cb 0.45 -0.20 0.61 0.00 -0.75 0.00 0.00 64.21 64.32 1jfn n SER 107 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jfn n SER 108 N -3.37 0.00 -4.44 -3.46 7.64 -1.26 -4.87 113.62 103.86 1jfn n SER 108 Ca 0.03 -1.04 -0.37 0.00 1.01 0.00 0.00 58.87 58.51 1jfn n SER 108 Cb 0.12 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.88 1.70 -3.04 0.44 3.14 -1.26 -4.88 118.33 113.55 1jfn n VAL 109 Ca 0.15 -0.42 -0.42 0.00 -2.96 0.00 0.00 64.34 60.69 1jfn n VAL 109 Cb 0.07 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.19 1jfn n VAL 109 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1jfn n LEU 110 N 0.10 6.22 -4.85 6.55 4.32 -1.26 -5.03 117.00 123.05 1jfn n LEU 110 Ca 0.10 -5.23 -0.32 0.00 -0.02 0.00 0.00 56.01 50.54 1jfn n LEU 110 Cb 0.50 -1.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.02 1jfn n LEU 110 CO 0.51 1.72 0.52 0.00 -1.22 0.00 0.00 177.39 178.92 1jfn s ALA 111 N -2.76 3.23 0.39 -1.18 0.00 -1.26 -5.08 121.76 115.09 1jfn s ALA 111 Ca 0.32 0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1jfn s ALA 111 Cb 0.05 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1jfn s ALA 111 CO 0.10 0.03 0.22 0.99 0.00 0.00 0.00 175.76 177.10 1jfn s THR 112 N -2.33 2.67 -0.51 0.00 2.01 -1.26 -5.06 115.64 111.17 1jfn s THR 112 Ca 0.55 -1.59 -0.28 0.00 0.31 0.00 0.00 61.69 60.67 1jfn s THR 112 Cb -0.10 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.43 1jfn s THR 112 CO 0.26 -0.07 1.35 -0.94 -0.69 0.00 0.00 174.62 174.53 1jfn s SER 113 N -3.95 6.30 0.00 3.53 1.04 -1.26 -4.99 113.70 114.37 1jfn s SER 113 Ca 0.42 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.39 1jfn s SER 113 Cb -0.00 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 1jfn s SER 113 CO 0.24 -1.53 -0.25 -0.89 0.98 0.00 0.00 173.24 171.78 1jfn s THR 114 N 5.52 2.02 -0.31 2.02 2.01 -1.26 -5.07 115.64 120.56 1jfn s THR 114 Ca 0.53 -1.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 1jfn s THR 114 Cb -0.11 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 1jfn s THR 114 CO 0.28 0.48 1.81 0.00 -0.69 0.00 0.00 174.62 176.51 1jfn s ALA 115 N -0.67 2.89 0.02 7.40 0.00 -1.26 -4.83 121.76 125.31 1jfn s ALA 115 Ca 0.10 0.32 0.27 0.00 0.00 0.00 0.00 51.96 52.65 1jfn s ALA 115 Cb -0.10 -4.01 0.97 0.00 0.00 0.00 0.00 23.12 19.99 1jfn s ALA 115 CO 0.00 -2.59 1.84 0.28 0.00 0.00 0.00 175.76 175.29 1jfn h VAL 116 N 6.79 0.26 -3.93 0.00 2.07 -2.02 -3.43 116.25 116.00 1jfn h VAL 116 Ca -0.34 -0.92 -0.68 0.00 0.82 0.00 0.00 66.70 65.58 1jfn h VAL 116 Cb 1.17 1.73 -0.27 0.00 -1.52 0.00 0.00 31.29 32.40 1jfn h VAL 116 CO 1.02 0.11 -0.81 -0.44 0.02 0.00 0.00 177.57 177.47 1jfn s SER 117 N -6.01 3.66 0.23 0.57 0.01 -1.26 -5.13 113.70 105.77 1jfn s SER 117 Ca 0.02 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1jfn s SER 117 Cb 0.09 -0.96 -0.05 0.00 0.21 0.00 0.00 66.02 65.31 1jfn s SER 117 CO 0.61 0.28 0.01 -1.83 0.41 0.00 0.00 173.24 172.72 1jfn s GLU 118 N -0.33 1.34 0.00 12.44 1.03 -1.26 -5.23 118.70 126.68 1jfn s GLU 118 Ca 0.02 -1.68 0.00 0.00 0.03 0.00 0.00 54.97 53.34 1jfn s GLU 118 Cb -0.13 -0.55 0.00 0.00 -0.80 0.00 0.00 34.13 32.65 1jfn s GLU 118 CO 0.02 -0.13 0.00 0.94 -1.33 0.00 0.00 175.26 174.77