#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 -2.56 0.00 0.63 -1.26 -5.02 116.66 108.45 1jfn n ARG 2 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 1jfn n ARG 2 Cb 0.00 -0.16 -0.05 0.00 0.45 0.00 0.00 32.46 32.71 1jfn n ARG 2 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1jfn s ILE 3 N -0.84 3.71 0.00 5.15 1.01 -1.26 -4.84 121.20 124.12 1jfn s ILE 3 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1jfn s ILE 3 Cb 0.00 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1jfn s ILE 3 CO 0.00 0.23 0.00 1.41 0.00 0.00 0.00 174.94 176.58 1jfn n HIS 4 N 0.70 -1.31 -2.58 3.97 8.25 -1.26 -4.95 115.22 118.04 1jfn n HIS 4 Ca 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1jfn n HIS 4 Cb 0.47 0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.84 -3.15 0.13 4.41 -0.00 -1.26 -4.47 115.22 110.04 1jfn n HIS 5 Ca 0.00 1.85 0.00 0.00 -0.00 0.00 0.00 57.72 59.57 1jfn n HIS 5 Cb 0.00 -2.97 0.00 0.00 -0.00 0.00 0.00 29.99 27.02 1jfn n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1jfn n HIS 6 N 1.96 -2.19 -2.90 4.41 -0.00 -1.26 -4.54 115.22 110.70 1jfn n HIS 6 Ca -0.19 0.39 -0.18 0.00 0.46 0.00 0.00 57.72 58.20 1jfn n HIS 6 Cb 0.29 0.52 -0.01 0.00 -0.12 0.00 0.00 29.99 30.68 1jfn n HIS 6 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1jfn n HIS 7 N -3.43 1.50 -3.18 1.57 -0.00 -1.26 -4.92 115.22 105.50 1jfn n HIS 7 Ca 0.00 -3.45 -0.22 0.00 0.46 0.00 0.00 57.72 54.51 1jfn n HIS 7 Cb 0.00 -0.38 0.05 0.00 -0.12 0.00 0.00 29.99 29.54 1jfn n HIS 7 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1jfn n HIS 8 N -0.00 -2.17 -4.67 1.57 8.25 -1.26 -4.67 115.22 112.26 1jfn n HIS 8 Ca 0.23 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 1jfn n HIS 8 Cb 0.66 -4.51 0.00 0.00 1.12 0.00 0.00 29.99 27.27 1jfn n HIS 8 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1jfn n HIS 9 N -4.61 -0.07 -3.30 4.41 -0.00 -1.26 -4.70 115.22 105.69 1jfn n HIS 9 Ca -0.07 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.02 1jfn n HIS 9 Cb 0.59 0.07 -0.06 0.00 -0.12 0.00 0.00 29.99 30.48 1jfn n HIS 9 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1jfn s ILE 10 N 0.00 -0.63 -0.79 3.57 1.10 -1.26 -4.99 121.20 118.20 1jfn s ILE 10 Ca 0.00 -0.38 -0.13 0.00 -0.51 0.00 0.00 60.65 59.64 1jfn s ILE 10 Cb 0.00 -0.85 0.21 0.00 0.15 0.00 0.00 42.46 41.97 1jfn s ILE 10 CO 0.00 -0.30 0.72 -1.61 -2.11 0.00 0.00 174.94 171.64 1jfn s GLU 11 N 2.31 3.46 -0.39 3.50 0.41 -1.26 -4.77 118.70 121.95 1jfn s GLU 11 Ca 0.11 -2.43 0.06 0.00 -0.41 0.00 0.00 54.97 52.31 1jfn s GLU 11 Cb -0.12 -4.35 0.30 0.00 -1.78 0.00 0.00 34.13 28.18 1jfn s GLU 11 CO -0.24 -1.28 1.24 0.41 -0.49 0.00 0.00 175.26 174.90 1jfn n GLY 12 N 4.00 0.22 3.37 -1.39 0.00 -1.26 -5.15 105.19 104.97 1jfn n GLY 12 Ca 0.12 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 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 0.16 1.36 0.02 1.61 0.52 -1.26 -5.06 118.95 116.31 1jfn s ARG 13 Ca 0.18 -1.45 -0.27 0.00 -0.52 0.00 0.00 55.73 53.68 1jfn s ARG 13 Cb 0.29 -1.52 -0.16 0.00 0.52 0.00 0.00 34.95 34.07 1jfn s ARG 13 CO -0.08 0.32 1.24 0.00 0.02 0.00 0.00 175.30 176.79 1jfn h ALA 14 N 3.25 -0.76 -2.24 2.13 0.00 -2.01 -3.41 119.26 116.22 1jfn h ALA 14 Ca -0.44 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 53.72 1jfn h ALA 14 Cb 1.21 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1jfn h ALA 14 CO 0.49 -0.80 0.83 -1.25 0.00 0.00 0.00 179.25 178.53 1jfn s PRO 15 N -4.90 4.28 0.27 0.00 0.04 -1.26 -4.91 135.00 128.52 1jfn s PRO 15 Ca -0.15 1.74 0.09 0.00 0.04 0.00 0.00 61.00 62.72 1jfn s PRO 15 Cb 0.02 -3.68 0.36 0.00 0.04 0.00 0.00 34.50 31.25 1jfn s PRO 15 CO 0.50 -0.60 1.62 0.00 0.04 0.00 0.00 177.00 178.55 1jfn h THR 16 N 5.25 1.41 -1.98 1.26 1.03 -1.97 -3.42 112.91 114.49 1jfn h THR 16 Ca -0.31 -1.99 -0.57 0.00 -0.01 0.00 0.00 66.41 63.52 1jfn h THR 16 Cb 1.14 2.05 -0.00 0.00 -1.07 0.00 0.00 68.15 70.27 1jfn h THR 16 CO 0.93 0.57 1.50 -1.61 -0.01 0.00 0.00 175.52 176.90 1jfn s GLU 17 N -3.72 2.99 0.00 0.00 2.02 -1.26 -4.88 118.70 113.85 1jfn s GLU 17 Ca -0.02 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.87 1jfn s GLU 17 Cb 0.13 -4.39 0.00 0.00 0.10 0.00 0.00 34.13 29.96 1jfn s GLU 17 CO 0.77 -2.27 0.78 0.94 0.02 0.00 0.00 175.26 175.50 1jfn n GLN 18 N 8.79 0.00 -2.50 1.61 7.27 -1.26 -4.65 117.38 126.64 1jfn n GLN 18 Ca 0.30 0.48 -0.42 0.00 0.07 0.00 0.00 57.00 57.44 1jfn n GLN 18 Cb 0.46 -1.38 -0.03 0.00 2.41 0.00 0.00 30.24 31.70 1jfn n GLN 18 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1jfn s SER 19 N -2.19 7.16 0.35 1.69 0.15 -1.26 -5.01 113.70 114.59 1jfn s SER 19 Ca 0.00 1.94 -0.26 0.00 0.70 0.00 0.00 55.95 58.33 1jfn s SER 19 Cb 0.00 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 1jfn s SER 19 CO 0.00 -0.40 1.02 -2.16 1.20 0.00 0.00 173.24 172.90 1jfn s PRO 20 N 0.95 4.39 0.00 5.44 0.04 -1.26 -4.48 135.00 140.08 1jfn s PRO 20 Ca 0.56 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1jfn s PRO 20 Cb -0.27 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1jfn s PRO 20 CO 0.29 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.81 1jfn n GLY 21 N 0.56 1.87 3.02 0.56 0.00 -1.26 -5.10 105.19 104.84 1jfn n GLY 21 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 0.77 -0.64 1.61 1.01 -1.26 -4.88 120.40 115.01 1jfn s VAL 22 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1jfn s VAL 22 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 1jfn s VAL 22 CO 0.00 0.22 0.57 0.00 0.00 0.00 0.00 175.10 175.90 1jfn n GLN 23 N 2.97 -1.29 -1.47 2.72 6.02 -1.26 -4.85 117.38 120.22 1jfn n GLN 23 Ca -0.15 0.84 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 1jfn n GLN 23 Cb 0.56 -4.47 -0.02 0.00 1.02 0.00 0.00 30.24 27.32 1jfn n GLN 23 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1jfn n ASP 24 N -2.23 3.42 -2.33 1.08 9.92 -1.26 -4.81 116.55 120.34 1jfn n ASP 24 Ca -0.03 -2.76 -0.06 0.00 -0.53 0.00 0.00 54.79 51.41 1jfn n ASP 24 Cb 0.55 -1.42 0.02 0.00 -0.64 0.00 0.00 41.12 39.63 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 -3.93 0.24 -0.18 0.00 -0.85 -0.02 -4.64 117.35 107.98 1jfn s TYR 26 Ca 0.12 -0.57 -0.08 0.00 -0.52 0.00 0.00 57.07 56.02 1jfn s TYR 26 Cb -0.04 -0.17 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1jfn s TYR 26 CO 0.09 -0.35 0.07 -1.58 -1.52 0.00 0.00 175.55 172.26 1jfn s HIS 27 N -2.65 3.29 0.00 -3.49 5.65 -1.26 0.41 115.29 117.24 1jfn s HIS 27 Ca -0.05 0.14 0.00 0.00 0.25 0.00 0.00 55.06 55.40 1jfn s HIS 27 Cb -0.01 -2.08 0.00 0.00 -1.18 0.00 0.00 32.58 29.32 1jfn s HIS 27 CO -0.05 0.21 0.00 0.41 -0.65 0.00 0.00 174.74 174.67 1jfn n GLY 28 N 3.41 1.90 0.08 1.59 0.00 -1.26 -2.59 105.19 108.33 1jfn n GLY 28 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 4.38 0.00 0.00 1.61 9.92 -1.26 -4.90 116.55 126.30 1jfn n ASP 29 Ca 0.00 -1.12 0.00 0.00 -0.53 0.00 0.00 54.79 53.14 1jfn n ASP 29 Cb 0.00 -0.02 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 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 0.00 1.83 3.71 0.44 0.00 -1.07 -1.61 105.19 108.49 1jfn n GLY 30 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.43 1jfn n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1jfn n GLN 31 N -2.00 0.91 -1.27 1.61 0.00 -1.26 0.19 117.38 115.55 1jfn n GLN 31 Ca 0.00 0.33 -0.09 0.00 -0.00 0.00 0.00 57.00 57.24 1jfn n GLN 31 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 30.24 28.22 1jfn n GLN 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1jfn n SER 32 N 4.92 -4.56 -4.50 1.69 2.88 -1.21 -4.82 113.62 108.01 1jfn n SER 32 Ca 0.27 0.23 -0.40 0.00 -1.33 0.00 0.00 58.87 57.64 1jfn n SER 32 Cb 0.09 -2.89 -0.15 0.00 -0.75 0.00 0.00 64.21 60.51 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 -2.59 0.55 0.02 0.66 9.36 0.50 -4.72 117.16 120.95 1jfn n TYR 33 Ca -0.09 0.37 0.04 0.00 3.32 0.00 0.00 57.90 61.54 1jfn n TYR 33 Cb 0.38 -2.33 0.44 0.00 -0.63 0.00 0.00 39.34 37.20 1jfn n TYR 33 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1jfn h ARG 34 N 12.04 0.49 -6.49 2.98 -0.00 -1.87 -3.44 114.38 118.09 1jfn h ARG 34 Ca -0.05 -0.03 -0.55 0.00 -0.00 0.00 0.00 59.98 59.36 1jfn h ARG 34 Cb 1.30 -0.11 0.22 0.00 -0.00 0.00 0.00 29.97 31.38 1jfn h ARG 34 CO 1.39 0.32 -0.95 0.41 -0.00 0.00 0.00 179.97 181.15 1jfn n GLY 35 N -1.48 -2.77 2.54 0.08 0.00 -1.26 -4.73 105.19 97.57 1jfn n GLY 35 Ca 0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 0.50 4.03 -4.44 1.61 3.41 -1.26 -4.83 113.62 112.63 1jfn n SER 36 Ca 0.05 -3.42 -0.44 0.00 -0.26 0.00 0.00 58.87 54.80 1jfn n SER 36 Cb 0.53 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 1jfn n SER 36 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1jfn s PHE 37 N -2.41 3.19 0.00 7.33 2.19 -1.26 -4.79 117.98 122.23 1jfn s PHE 37 Ca 0.37 -1.49 0.00 0.00 0.33 0.00 0.00 56.93 56.15 1jfn s PHE 37 Cb 0.12 -4.25 0.00 0.00 -1.31 0.00 0.00 43.02 37.58 1jfn s PHE 37 CO -0.01 -1.45 1.31 -1.13 1.83 0.00 0.00 175.22 175.77 1jfn n SER 38 N 6.29 3.60 -4.32 6.13 3.41 -1.26 -3.09 113.62 124.38 1jfn n SER 38 Ca 0.24 -1.94 -0.24 0.00 -0.26 0.00 0.00 58.87 56.67 1jfn n SER 38 Cb 0.48 -0.72 -0.12 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.30 1.85 0.73 6.66 2.01 -1.26 -3.75 115.64 122.18 1jfn s THR 39 Ca 0.00 -1.76 -0.04 0.00 0.31 0.00 0.00 61.69 60.20 1jfn s THR 39 Cb 0.00 -1.76 0.11 0.00 0.01 0.00 0.00 72.50 70.87 1jfn s THR 39 CO 0.00 -0.16 1.02 0.42 -0.69 0.00 0.00 174.62 175.21 1jfn s THR 40 N -1.57 2.21 0.23 -0.82 -4.23 -0.72 -3.83 115.64 106.90 1jfn s THR 40 Ca 0.12 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.15 1jfn s THR 40 Cb -0.08 -2.76 0.04 0.00 1.34 0.00 0.00 72.50 71.05 1jfn s THR 40 CO 0.06 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.37 1jfn h VAL 41 N -0.64 1.27 0.00 2.29 2.07 0.84 -2.23 116.25 119.85 1jfn h VAL 41 Ca -0.40 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1jfn h VAL 41 Cb 1.27 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1jfn h VAL 41 CO 0.45 0.43 0.00 0.41 0.02 0.00 0.00 177.57 178.88 1jfn n THR 42 N -4.12 0.25 -0.04 2.57 -1.04 -1.26 -4.74 114.28 105.91 1jfn n THR 42 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1jfn n THR 42 Cb 0.42 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 0.58 0.40 0.00 3.41 0.00 -0.84 -5.06 105.19 103.68 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 -2.00 0.16 -4.45 1.61 0.63 -1.26 -4.64 116.66 106.71 1jfn n ARG 44 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1jfn n ARG 44 Cb 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 1jfn n ARG 44 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1jfn s THR 45 N -0.44 1.50 0.77 5.15 2.01 -1.26 -1.76 115.64 121.62 1jfn s THR 45 Ca 0.00 -0.64 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 1jfn s THR 45 Cb 0.00 -1.38 0.06 0.00 0.01 0.00 0.00 72.50 71.19 1jfn s THR 45 CO 0.00 0.44 1.09 0.00 -0.69 0.00 0.00 174.62 175.46 1jfn s GLN 47 N -4.88 3.99 0.26 0.00 2.00 -0.98 -3.46 119.66 116.58 1jfn s GLN 47 Ca 0.61 0.49 -0.26 0.00 -2.00 0.00 0.00 55.36 54.20 1jfn s GLN 47 Cb -0.17 -3.06 -0.16 0.00 0.80 0.00 0.00 33.01 30.42 1jfn s GLN 47 CO 0.56 0.56 0.47 0.43 -0.50 0.00 0.00 175.29 176.81 1jfn n SER 48 N 1.19 -1.37 -0.23 6.67 7.64 -1.26 -4.40 113.62 121.85 1jfn n SER 48 Ca -0.08 1.06 0.04 0.00 1.01 0.00 0.00 58.87 60.89 1jfn n SER 48 Cb 0.52 -0.97 0.28 0.00 -1.01 0.00 0.00 64.21 63.03 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 0.93 0.91 0.00 1.43 4.06 -1.77 0.49 115.95 122.00 1jfn h TRP 49 Ca -0.31 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1jfn h TRP 49 Cb 1.43 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1jfn h TRP 49 CO 0.40 0.51 0.00 0.45 -3.56 0.00 0.00 178.44 176.24 1jfn n SER 50 N -4.46 1.99 -4.72 -3.49 2.88 -1.26 -4.59 113.62 99.96 1jfn n SER 50 Ca 0.11 -1.82 -0.42 0.00 -1.33 0.00 0.00 58.87 55.41 1jfn n SER 50 Cb 0.16 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.13 1jfn n SER 50 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1jfn s SER 51 N 0.56 6.47 0.00 -3.46 1.04 0.16 -4.86 113.70 113.61 1jfn s SER 51 Ca 0.00 2.76 0.00 0.00 0.48 0.00 0.00 55.95 59.19 1jfn s SER 51 Cb 0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1jfn s SER 51 CO 0.00 -0.91 0.48 0.23 0.98 0.00 0.00 173.24 174.02 1jfn n MET 52 N 4.07 0.51 -0.14 4.02 2.81 -1.26 -2.83 117.12 124.30 1jfn n MET 52 Ca 0.15 -0.60 -0.29 0.00 -1.81 0.00 0.00 57.70 55.16 1jfn n MET 52 Cb 0.37 -0.70 -0.10 0.00 -0.71 0.00 0.00 33.22 32.08 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 -0.11 1.51 0.00 2.03 -2.24 -1.26 -4.62 114.28 109.59 1jfn n THR 53 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1jfn n THR 53 Cb 0.29 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.69 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 -4.15 0.00 -3.39 -0.78 -0.04 -1.26 -4.77 135.00 120.60 1jfn n PRO 54 Ca -0.54 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.51 1jfn n PRO 54 Cb 0.89 -0.08 -0.02 0.00 -0.04 0.00 0.00 33.50 34.25 1jfn n PRO 54 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1jfn n HIS 55 N -0.27 4.63 -1.61 0.54 1.44 -1.26 -5.04 115.22 113.65 1jfn n HIS 55 Ca 0.00 -3.85 -0.46 0.00 -2.01 0.00 0.00 57.72 51.41 1jfn n HIS 55 Cb 0.00 -1.47 -0.02 0.00 0.12 0.00 0.00 29.99 28.62 1jfn n HIS 55 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1jfn n TRP 56 N 2.37 1.53 -4.22 -1.40 -0.00 -1.25 -4.75 117.44 109.71 1jfn n TRP 56 Ca 0.24 0.63 -0.10 0.00 -0.00 0.00 0.00 57.50 58.27 1jfn n TRP 56 Cb 0.38 -2.31 -0.02 0.00 -0.00 0.00 0.00 31.31 29.36 1jfn n TRP 56 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 177.69 175.30 1jfn n HIS 57 N 0.94 0.33 -0.57 5.87 1.44 -1.13 -5.00 115.22 117.11 1jfn n HIS 57 Ca 0.11 -0.76 0.00 0.00 -2.01 0.00 0.00 57.72 55.06 1jfn n HIS 57 Cb 0.30 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.32 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 -0.38 1.33 -2.53 -1.40 6.02 -1.26 -4.83 117.38 114.32 1jfn n GLN 58 Ca -0.06 -0.96 -0.33 0.00 -0.01 0.00 0.00 57.00 55.65 1jfn n GLN 58 Cb 0.19 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 30.73 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 -0.23 3.66 -0.73 -1.09 0.63 -1.26 -4.92 116.66 112.72 1jfn n ARG 59 Ca 0.00 -4.45 -0.22 0.00 -0.92 0.00 0.00 57.85 52.27 1jfn n ARG 59 Cb 0.39 -2.30 0.18 0.00 0.45 0.00 0.00 32.46 31.19 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 -0.34 0.00 0.44 5.15 5.66 -1.26 -4.78 114.28 119.15 1jfn n THR 60 Ca 0.41 -0.33 0.09 0.00 -3.05 0.00 0.00 64.05 61.17 1jfn n THR 60 Cb 0.41 -1.15 0.40 0.00 -1.55 0.00 0.00 70.33 68.44 1jfn n THR 60 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1jfn n THR 61 N -4.25 0.92 0.24 1.09 -2.24 -1.26 -1.50 114.28 107.29 1jfn n THR 61 Ca 0.11 0.25 0.09 0.00 -2.27 0.00 0.00 64.05 62.23 1jfn n THR 61 Cb 0.43 -1.09 0.61 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.00 -0.78 4.81 -1.97 0.28 114.58 116.92 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 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1jfn h GLU 62 CO 0.00 0.17 -0.25 0.66 -0.73 0.00 0.00 179.01 178.86 1jfn n TYR 63 N -3.85 0.00 -3.35 0.92 4.02 -0.56 -4.59 117.16 109.76 1jfn n TYR 63 Ca -0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.73 1jfn n TYR 63 Cb 0.27 -0.22 -0.07 0.00 -0.02 0.00 0.00 39.34 39.30 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 -2.68 -0.59 0.23 -0.72 2.02 0.99 -4.99 117.35 111.59 1jfn s TYR 64 Ca 0.21 -0.33 0.17 0.00 -0.37 0.00 0.00 57.07 56.75 1jfn s TYR 64 Cb 0.19 -0.32 0.68 0.00 -0.40 0.00 0.00 41.96 42.11 1jfn s TYR 64 CO 0.56 -0.97 1.75 -1.00 -1.57 0.00 0.00 175.55 174.31 1jfn h PRO 65 N 7.62 0.00 -1.23 -1.71 0.13 -1.77 -3.30 132.00 131.73 1jfn h PRO 65 Ca -0.03 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.64 1jfn h PRO 65 Cb 1.08 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.80 1jfn h PRO 65 CO 0.24 0.40 -0.98 -1.71 -0.23 0.00 0.00 178.00 175.72 1jfn n ASN 66 N -3.66 2.95 -0.00 1.44 2.85 -1.26 -4.79 115.26 112.79 1jfn n ASN 66 Ca -0.01 -3.17 0.11 0.00 -0.11 0.00 0.00 54.58 51.40 1jfn n ASN 66 Cb 0.50 -0.50 -0.14 0.00 1.24 0.00 0.00 39.78 40.88 1jfn n ASN 66 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1jfn n GLY 67 N -0.26 -1.02 1.79 8.20 0.00 -1.24 -4.96 105.19 107.70 1jfn n GLY 67 Ca 0.23 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 1.36 0.46 2.37 -0.02 0.00 -1.26 -4.94 105.19 103.16 1jfn n GLY 68 Ca -0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 7.76 -4.76 0.99 4.77 -1.26 -4.82 117.00 119.67 1jfn n LEU 69 Ca 0.00 -4.40 -0.40 0.00 -0.03 0.00 0.00 56.01 51.18 1jfn n LEU 69 Cb 0.00 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 39.63 1jfn n LEU 69 CO 0.00 1.98 0.83 -0.89 -1.33 0.00 0.00 177.39 177.98 1jfn s THR 70 N 0.09 3.37 0.00 -5.08 2.01 -1.26 -4.68 115.64 110.08 1jfn s THR 70 Ca 0.62 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.97 1jfn s THR 70 Cb 0.23 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1jfn s THR 70 CO -0.09 0.31 0.00 -1.14 -0.69 0.00 0.00 174.62 173.01 1jfn n ARG 71 N 1.27 0.00 -0.36 4.92 0.63 -1.26 0.53 116.66 122.39 1jfn n ARG 71 Ca -0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.96 1jfn n ARG 71 Cb 0.44 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.53 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 -0.02 2.87 -3.28 6.15 6.94 -1.26 -2.37 115.26 124.29 1jfn n ASN 72 Ca 0.00 -2.34 -0.30 0.00 -0.02 0.00 0.00 54.58 51.93 1jfn n ASN 72 Cb 0.00 -0.51 0.02 0.00 -2.36 0.00 0.00 39.78 36.93 1jfn n ASN 72 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1jfn n TYR 73 N 0.32 -3.62 -3.62 -2.53 4.02 0.19 -4.68 117.16 107.24 1jfn n TYR 73 Ca 0.12 0.10 -0.37 0.00 -0.01 0.00 0.00 57.90 57.74 1jfn n TYR 73 Cb 0.60 -1.22 -0.06 0.00 -0.02 0.00 0.00 39.34 38.64 1jfn n TYR 73 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jfn s ARG 75 N -0.48 0.78 -0.52 0.00 1.81 -1.20 -4.61 118.95 114.72 1jfn s ARG 75 Ca 0.19 -0.13 -0.04 0.00 -1.72 0.00 0.00 55.73 54.03 1jfn s ARG 75 Cb -0.14 0.35 0.14 0.00 -0.45 0.00 0.00 34.95 34.85 1jfn s ARG 75 CO 0.07 -0.23 0.34 1.21 -0.68 0.00 0.00 175.30 176.01 1jfn s ASN 76 N -1.39 5.37 0.00 0.23 3.84 -1.26 -3.07 114.94 118.66 1jfn s ASN 76 Ca -0.12 -2.37 0.00 0.00 0.21 0.00 0.00 52.86 50.58 1jfn s ASN 76 Cb -0.04 -1.88 0.00 0.00 -0.55 0.00 0.00 41.25 38.78 1jfn s ASN 76 CO 0.05 -0.50 0.63 -0.81 -2.79 0.00 0.00 177.10 173.68 1jfn n PRO 77 N 4.17 0.97 0.00 0.43 -0.04 -1.26 -3.36 135.00 135.90 1jfn n PRO 77 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1jfn n PRO 77 Cb 0.40 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.14 0.00 0.00 3.54 2.03 -1.26 -5.10 116.55 115.61 1jfn n ASP 78 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1jfn n ASP 78 Cb 0.17 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -3.00 0.00 -2.04 -1.67 0.00 -1.26 -4.91 120.51 107.63 1jfn n ALA 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1jfn n ALA 79 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1jfn n ALA 79 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jfn n GLU 80 N 0.00 0.95 -0.34 0.00 0.00 -1.26 -4.92 120.64 115.06 1jfn n GLU 80 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 57.16 57.37 1jfn n GLU 80 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 31.44 31.88 1jfn n GLU 80 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.13 176.29 1jfn h ILE 81 N -0.32 0.48 -2.64 3.84 -0.00 -1.93 -3.39 117.51 113.55 1jfn h ILE 81 Ca 0.00 -0.16 0.11 0.00 -0.00 0.00 0.00 64.86 64.81 1jfn h ILE 81 Cb 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 36.82 36.74 1jfn h ILE 81 CO 0.00 0.09 0.44 -0.94 -0.00 0.00 0.00 178.15 177.73 1jfn s SER 82 N -5.13 -0.08 0.60 2.16 1.04 -0.63 -3.32 113.70 108.33 1jfn s SER 82 Ca -0.10 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.48 1jfn s SER 82 Cb 0.27 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.97 1jfn s SER 82 CO 0.80 -1.17 1.07 -2.16 0.98 0.00 0.00 173.24 172.75 1jfn s PRO 83 N -2.76 3.25 0.00 4.02 0.04 -1.26 -4.86 135.00 133.43 1jfn s PRO 83 Ca 0.16 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1jfn s PRO 83 Cb -0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1jfn s PRO 83 CO 0.06 -0.88 0.00 -2.67 0.04 0.00 0.00 177.00 173.55 1jfn n TRP 84 N -2.02 0.00 -3.65 0.56 4.27 -1.17 -2.20 117.44 113.23 1jfn n TRP 84 Ca 0.09 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.67 1jfn n TRP 84 Cb 0.53 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.41 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 1.61 -1.49 -5.19 0.00 4.01 -1.26 -0.06 117.16 114.77 1jfn n TYR 86 Ca -0.10 -0.02 -0.31 0.00 -0.16 0.00 0.00 57.90 57.30 1jfn n TYR 86 Cb 0.57 -0.08 -0.17 0.00 -0.31 0.00 0.00 39.34 39.35 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 -0.78 1.97 -1.80 -0.72 -4.23 -1.15 -2.32 115.64 106.62 1jfn s THR 87 Ca 0.03 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1jfn s THR 87 Cb -0.01 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1jfn s THR 87 CO 0.03 0.55 0.36 0.80 -0.54 0.00 0.00 174.62 175.81 1jfn n MET 88 N 3.24 0.40 -4.71 3.99 1.56 0.30 -3.64 117.12 118.26 1jfn n MET 88 Ca -0.18 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 56.98 1jfn n MET 88 Cb 0.52 -1.04 -0.14 0.00 2.15 0.00 0.00 33.22 34.71 1jfn n MET 88 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1jfn s ASP 89 N -1.40 2.65 0.00 6.12 -1.08 -1.26 -4.90 116.67 116.80 1jfn s ASP 89 Ca 0.00 -0.54 0.03 0.00 -0.52 0.00 0.00 52.55 51.52 1jfn s ASP 89 Cb 0.00 -0.23 0.19 0.00 -1.46 0.00 0.00 42.92 41.42 1jfn s ASP 89 CO 0.00 0.19 0.89 -0.81 0.52 0.00 0.00 175.17 175.96 1jfn n PRO 90 N 1.82 0.75 0.00 4.34 -0.04 -1.26 -2.56 135.00 138.05 1jfn n PRO 90 Ca -0.17 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1jfn n PRO 90 Cb 0.53 -1.07 0.05 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.57 2.09 -3.95 3.54 3.02 -1.26 -4.95 115.26 113.19 1jfn n ASN 91 Ca 0.02 -1.54 -0.17 0.00 -0.03 0.00 0.00 54.58 52.86 1jfn n ASN 91 Cb 0.01 0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.29 0.47 -0.06 2.41 1.01 -1.06 -5.06 120.40 116.82 1jfn s VAL 92 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1jfn s VAL 92 Cb 0.12 -0.43 -0.07 0.00 0.00 0.00 0.00 36.38 36.00 1jfn s VAL 92 CO 0.21 0.15 0.48 -0.09 0.00 0.00 0.00 175.10 175.85 1jfn h ARG 93 N 6.33 -0.32 -3.11 2.72 1.12 -1.92 -3.38 114.38 115.81 1jfn h ARG 93 Ca -0.32 0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.54 1jfn h ARG 93 Cb 1.18 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1jfn h ARG 93 CO 0.49 -0.14 0.22 1.67 -3.11 0.00 0.00 179.97 179.11 1jfn s TRP 94 N -2.79 0.18 0.04 2.20 1.48 -1.26 -2.91 118.94 115.87 1jfn s TRP 94 Ca -0.07 -0.79 -0.27 0.00 -1.06 0.00 0.00 56.10 53.92 1jfn s TRP 94 Cb 0.00 0.74 0.09 0.00 -1.16 0.00 0.00 33.47 33.14 1jfn s TRP 94 CO 0.21 -1.49 0.76 -1.21 -4.06 0.00 0.00 176.95 171.16 1jfn s GLU 95 N -2.56 1.01 0.76 3.25 2.02 0.91 -4.77 118.70 119.32 1jfn s GLU 95 Ca 0.16 -0.24 -0.11 0.00 0.02 0.00 0.00 54.97 54.80 1jfn s GLU 95 Cb -0.05 0.47 0.05 0.00 0.10 0.00 0.00 34.13 34.70 1jfn s GLU 95 CO 0.12 -0.41 1.10 0.71 0.02 0.00 0.00 175.26 176.79 1jfn s TYR 96 N -2.89 3.00 0.08 1.61 2.02 -1.26 -0.26 117.35 119.66 1jfn s TYR 96 Ca 0.00 1.12 -0.02 0.00 -0.37 0.00 0.00 57.07 57.81 1jfn s TYR 96 Cb -0.01 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1jfn s TYR 96 CO -0.07 -1.56 0.26 0.00 -1.57 0.00 0.00 175.55 172.61 1jfn n ASN 98 N 0.25 0.70 -3.79 0.00 3.02 -1.23 -4.46 115.26 109.75 1jfn n ASN 98 Ca -0.04 -2.14 -0.13 0.00 -0.03 0.00 0.00 54.58 52.24 1jfn n ASN 98 Cb 0.51 -1.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.06 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 13.69 1.06 0.06 3.41 1.43 -1.26 -3.55 118.68 133.51 1jfn s LEU 99 Ca 0.70 0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1jfn s LEU 99 Cb -0.07 0.62 -0.03 0.00 0.03 0.00 0.00 46.19 46.74 1jfn s LEU 99 CO 0.15 -0.09 0.03 0.42 0.23 0.00 0.00 176.35 177.09 1jfn s THR 100 N 0.45 0.20 -0.79 5.49 -4.23 -1.26 -4.76 115.64 110.74 1jfn s THR 100 Ca -0.03 -1.62 -0.28 0.00 -1.18 0.00 0.00 61.69 58.58 1jfn s THR 100 Cb -0.04 -1.44 -0.16 0.00 1.34 0.00 0.00 72.50 72.19 1jfn s THR 100 CO -0.02 -0.90 2.55 0.00 -0.54 0.00 0.00 174.62 175.71 1jfn n GLN 101 N 0.10 0.44 -1.00 3.99 6.02 -1.25 -0.84 117.38 124.84 1jfn n GLN 101 Ca -0.15 -0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.49 1jfn n GLN 101 Cb 0.61 -2.34 0.01 0.00 1.02 0.00 0.00 30.24 29.54 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 1.19 0.43 -0.45 0.00 -0.04 -1.26 -4.98 135.00 129.89 1jfn n PRO 103 Ca 0.06 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1jfn n PRO 103 Cb 0.37 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.08 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 -1.02 0.00 0.06 0.52 0.31 -1.26 -5.00 118.33 111.94 1jfn n VAL 104 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1jfn n VAL 104 Cb 0.00 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1jfn n VAL 104 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1jfn n THR 105 N -5.07 0.02 -0.28 2.52 -1.04 -1.26 -4.90 114.28 104.27 1jfn n THR 105 Ca 0.05 0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.96 1jfn n THR 105 Cb 0.55 -0.54 -0.08 0.00 -1.82 0.00 0.00 70.33 68.45 1jfn n THR 105 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1jfn h GLU 106 N 0.00 -0.17 -5.16 -2.82 4.22 -2.05 -3.43 114.58 105.16 1jfn h GLU 106 Ca 0.00 0.01 -0.64 0.00 0.08 0.00 0.00 59.36 58.81 1jfn h GLU 106 Cb 0.02 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.18 1jfn h GLU 106 CO 0.00 -0.12 -0.52 -1.12 -2.18 0.00 0.00 179.01 175.08 1jfn s SER 107 N -5.27 3.67 -0.28 1.04 0.01 -1.26 -5.14 113.70 106.47 1jfn s SER 107 Ca -0.13 -1.65 0.01 0.00 1.31 0.00 0.00 55.95 55.48 1jfn s SER 107 Cb 0.11 0.49 0.17 0.00 0.21 0.00 0.00 66.02 67.00 1jfn s SER 107 CO 0.63 -0.87 0.49 -0.55 0.41 0.00 0.00 173.24 173.36 1jfn s SER 108 N -3.78 -0.55 -0.27 2.44 0.15 -1.26 -4.82 113.70 105.60 1jfn s SER 108 Ca 0.13 0.26 -0.19 0.00 0.70 0.00 0.00 55.95 56.85 1jfn s SER 108 Cb 0.02 1.59 0.08 0.00 -1.71 0.00 0.00 66.02 66.00 1jfn s SER 108 CO 0.07 -0.30 0.69 0.54 1.20 0.00 0.00 173.24 175.44 1jfn s VAL 109 N 2.69 -0.00 -0.59 4.45 0.11 -1.26 -5.08 120.40 120.72 1jfn s VAL 109 Ca 0.14 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.24 1jfn s VAL 109 Cb -0.14 -0.98 0.33 0.00 -1.53 0.00 0.00 36.38 34.07 1jfn s VAL 109 CO -0.23 0.00 0.95 0.00 -3.33 0.00 0.00 175.10 172.50 1jfn n LEU 110 N 3.77 4.50 -4.07 2.54 -0.00 -1.26 -4.97 117.00 117.51 1jfn n LEU 110 Ca -0.18 -5.67 -0.41 0.00 -0.00 0.00 0.00 56.01 49.75 1jfn n LEU 110 Cb 0.58 -0.58 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1jfn n LEU 110 CO 0.00 2.33 2.22 0.00 -0.00 0.00 0.00 177.39 181.94 1jfn n ALA 111 N -0.17 4.06 -0.74 1.47 0.00 -1.26 -4.68 120.51 119.18 1jfn n ALA 111 Ca 0.31 -3.65 0.00 0.00 0.00 0.00 0.00 53.44 50.10 1jfn n ALA 111 Cb 0.39 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.27 1jfn n ALA 111 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jfn n THR 112 N 6.00 0.00 -0.90 0.00 -2.24 -1.26 -4.96 114.28 110.92 1jfn n THR 112 Ca 0.50 0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 62.10 1jfn n THR 112 Cb 0.42 -0.81 0.14 0.00 -2.10 0.00 0.00 70.33 67.99 1jfn n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jfn s SER 113 N -1.67 3.45 -0.32 3.42 0.15 -1.26 -5.00 113.70 112.46 1jfn s SER 113 Ca 0.00 2.10 0.04 0.00 0.70 0.00 0.00 55.95 58.79 1jfn s SER 113 Cb 0.00 -2.56 0.09 0.00 -1.71 0.00 0.00 66.02 61.85 1jfn s SER 113 CO 0.00 -2.75 0.02 -0.89 1.20 0.00 0.00 173.24 170.82 1jfn s THR 114 N -2.68 2.25 0.22 6.45 2.01 -1.26 -5.09 115.64 117.53 1jfn s THR 114 Ca 0.66 -2.19 0.04 0.00 0.31 0.00 0.00 61.69 60.50 1jfn s THR 114 Cb -0.22 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 1jfn s THR 114 CO 0.56 -0.48 -0.02 0.00 -0.69 0.00 0.00 174.62 174.00 1jfn s ALA 115 N 0.95 1.75 -0.84 7.40 0.00 -1.26 -5.08 121.76 124.67 1jfn s ALA 115 Ca 0.07 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.32 1jfn s ALA 115 Cb -0.19 0.44 0.29 0.00 0.00 0.00 0.00 23.12 23.65 1jfn s ALA 115 CO -0.07 -0.23 1.16 1.55 0.00 0.00 0.00 175.76 178.16 1jfn n VAL 116 N -0.38 3.96 -4.68 0.00 3.14 -1.26 -5.03 118.33 114.08 1jfn n VAL 116 Ca -0.06 -5.62 -0.31 0.00 -2.96 0.00 0.00 64.34 55.40 1jfn n VAL 116 Cb 0.63 -1.98 -0.12 0.00 -1.06 0.00 0.00 33.84 31.31 1jfn n VAL 116 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1jfn s SER 117 N -2.21 3.91 -0.39 6.55 0.01 -1.26 -5.04 113.70 115.27 1jfn s SER 117 Ca 0.37 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 57.32 1jfn s SER 117 Cb 0.12 -0.69 0.30 0.00 0.21 0.00 0.00 66.02 65.97 1jfn s SER 117 CO 0.02 0.27 1.24 1.21 0.41 0.00 0.00 173.24 176.39 1jfn n GLU 118 N 1.66 0.70 0.00 12.44 2.13 -1.26 -5.29 120.64 131.02 1jfn n GLU 118 Ca -0.16 -1.41 0.00 0.00 0.66 0.00 0.00 57.16 56.25 1jfn n GLU 118 Cb 0.52 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.75 1jfn n GLU 118 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72