#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1je3 n GLY 2 N 0.00 -0.34 3.58 3.03 0.00 -1.26 -4.84 105.19 105.36 1je3 n GLY 2 Ca 0.00 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 1je3 n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1je3 s SER 3 N -2.84 5.99 0.59 1.61 0.15 -1.26 -4.94 113.70 113.01 1je3 s SER 3 Ca -0.01 -1.91 0.00 0.00 0.70 0.00 0.00 55.95 54.73 1je3 s SER 3 Cb 0.07 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1je3 s SER 3 CO 0.45 -2.04 0.00 -0.24 1.20 0.00 0.00 173.24 172.61 1je3 n SER 4 N 11.13 0.00 -3.96 5.45 2.88 -1.26 -5.00 113.62 122.86 1je3 n SER 4 Ca 0.45 -0.61 -0.37 0.00 -1.33 0.00 0.00 58.87 57.01 1je3 n SER 4 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 1je3 n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1je3 n HIS 5 N -1.21 3.69 -3.11 0.66 1.44 -1.26 -5.03 115.22 110.40 1je3 n HIS 5 Ca 0.00 -3.73 -0.41 0.00 -2.01 0.00 0.00 57.72 51.57 1je3 n HIS 5 Cb 0.00 -1.09 -0.07 0.00 0.12 0.00 0.00 29.99 28.95 1je3 n HIS 5 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1je3 s HIS 6 N -1.97 3.21 -0.51 -1.40 4.02 -1.26 -4.93 115.29 112.45 1je3 s HIS 6 Ca 0.31 0.58 0.08 0.00 1.02 0.00 0.00 55.06 57.05 1je3 s HIS 6 Cb 0.00 -2.99 0.49 0.00 -1.02 0.00 0.00 32.58 29.07 1je3 s HIS 6 CO -0.04 -0.48 1.30 0.72 1.02 0.00 0.00 174.74 177.26 1je3 n HIS 7 N 5.88 1.35 0.15 1.40 -0.00 -1.26 -4.43 115.22 118.32 1je3 n HIS 7 Ca -0.01 -0.54 -0.07 0.00 -0.00 0.00 0.00 57.72 57.11 1je3 n HIS 7 Cb 0.49 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.99 30.06 1je3 n HIS 7 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1je3 h HIS 8 N 2.26 -0.40 -3.29 4.41 -0.00 -2.04 -3.46 115.15 112.63 1je3 h HIS 8 Ca 0.04 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1je3 h HIS 8 Cb 1.49 0.13 0.02 0.00 -0.00 0.00 0.00 27.41 29.05 1je3 h HIS 8 CO 0.71 -0.25 0.04 -2.39 -0.00 0.00 0.00 177.93 176.04 1je3 n HIS 9 N -3.90 -3.51 -2.75 2.45 -0.00 -1.26 -5.10 115.22 101.15 1je3 n HIS 9 Ca -0.05 -0.32 -0.25 0.00 -0.00 0.00 0.00 57.72 57.09 1je3 n HIS 9 Cb 0.17 -0.17 0.01 0.00 -0.00 0.00 0.00 29.99 30.00 1je3 n HIS 9 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1je3 s HIS 10 N -0.79 3.36 0.39 -1.40 0.00 -1.26 -5.09 115.29 110.49 1je3 s HIS 10 Ca 0.14 0.53 0.01 0.00 -3.00 0.00 0.00 55.06 52.74 1je3 s HIS 10 Cb -0.01 -2.39 -0.01 0.00 -4.00 0.00 0.00 32.58 26.17 1je3 s HIS 10 CO 0.09 -0.43 0.59 -1.54 -1.00 0.00 0.00 174.74 172.46 1je3 s SER 11 N -4.19 6.02 -0.90 7.38 1.04 -1.26 -5.05 113.70 116.73 1je3 s SER 11 Ca 0.49 0.26 -0.01 0.00 0.48 0.00 0.00 55.95 57.17 1je3 s SER 11 Cb -0.10 -1.66 0.27 0.00 0.10 0.00 0.00 66.02 64.63 1je3 s SER 11 CO 0.42 -0.51 1.08 -1.54 0.98 0.00 0.00 173.24 173.67 1je3 n SER 12 N -1.90 5.05 -0.39 7.02 3.41 -1.26 -4.76 113.62 120.79 1je3 n SER 12 Ca -0.01 -3.34 0.07 0.00 -0.26 0.00 0.00 58.87 55.33 1je3 n SER 12 Cb 0.57 -1.04 0.18 0.00 -0.26 0.00 0.00 64.21 63.66 1je3 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1je3 n GLY 13 N 1.45 4.98 3.06 5.00 0.00 -1.26 -5.00 105.19 113.43 1je3 n GLY 13 Ca 0.26 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1je3 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1je3 s LEU 14 N -3.06 1.74 -0.02 0.99 2.01 -1.26 -5.13 118.68 113.94 1je3 s LEU 14 Ca 0.36 -0.36 0.02 0.00 0.01 0.00 0.00 54.13 54.16 1je3 s LEU 14 Cb 0.33 -0.95 0.00 0.00 0.01 0.00 0.00 46.19 45.58 1je3 s LEU 14 CO -0.01 0.06 -0.06 0.68 1.01 0.00 0.00 176.35 178.02 1je3 s VAL 15 N 0.61 0.57 0.13 -1.59 -7.23 -1.26 -5.05 120.40 106.58 1je3 s VAL 15 Ca -0.15 -0.25 -0.13 0.00 -1.81 0.00 0.00 61.98 59.64 1je3 s VAL 15 Cb -0.16 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 1je3 s VAL 15 CO 0.05 0.19 1.53 1.55 -0.31 0.00 0.00 175.10 178.11 1je3 h PRO 16 N 6.38 0.83 -4.42 4.82 0.13 -2.06 -3.45 132.00 134.23 1je3 h PRO 16 Ca -0.33 -0.33 -0.23 0.00 -0.87 0.00 0.00 66.00 64.25 1je3 h PRO 16 Cb 1.17 -0.04 -0.19 0.00 0.13 0.00 0.00 31.00 32.07 1je3 h PRO 16 CO 0.49 0.96 -0.71 1.03 -0.23 0.00 0.00 178.00 179.53 1je3 s ARG 17 N -4.75 0.55 0.39 0.86 0.52 -1.26 -5.14 118.95 110.12 1je3 s ARG 17 Ca -0.12 -0.89 -0.26 0.00 -0.52 0.00 0.00 55.73 53.94 1je3 s ARG 17 Cb 0.11 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.35 1je3 s ARG 17 CO 0.83 -0.00 1.27 0.20 0.02 0.00 0.00 175.30 177.62 1je3 s GLY 18 N -1.98 2.93 -0.72 -3.53 0.00 -1.26 -4.94 107.32 97.81 1je3 s GLY 18 Ca -0.05 1.17 -0.00 0.00 0.00 0.00 0.00 44.72 45.83 1je3 s GLY 18 CO -0.02 1.75 1.84 -1.14 0.00 0.00 0.00 173.10 175.53 1je3 n SER 19 N 0.27 7.00 0.00 1.64 3.41 -1.26 -4.71 113.62 119.96 1je3 n SER 19 Ca 0.03 -3.81 0.00 0.00 -0.26 0.00 0.00 58.87 54.83 1je3 n SER 19 Cb 0.44 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1je3 n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1je3 n HIS 20 N -0.61 0.00 -3.95 7.33 8.25 -1.26 -4.98 115.22 120.01 1je3 n HIS 20 Ca 0.53 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.69 1je3 n HIS 20 Cb 0.41 -0.23 -0.04 0.00 1.12 0.00 0.00 29.99 31.25 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1je3 s MET 21 N -0.72 3.34 0.00 -0.41 1.00 -1.26 -5.05 119.30 116.20 1je3 s MET 21 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 55.69 55.17 1je3 s MET 21 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 34.83 31.86 1je3 s MET 21 CO 0.00 0.58 0.00 1.63 0.00 0.00 0.00 175.02 177.23 1je3 n LYS 22 N 0.14 0.00 -3.65 2.03 4.76 -1.26 -5.08 118.16 115.09 1je3 n LYS 22 Ca -0.06 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.16 1je3 n LYS 22 Cb 0.52 -0.00 -0.18 0.00 -1.84 0.00 0.00 35.03 33.53 1je3 n LYS 22 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1je3 s ASN 23 N -0.24 1.53 0.00 4.39 2.47 -1.26 -5.06 114.94 116.77 1je3 s ASN 23 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.14 1je3 s ASN 23 Cb 0.00 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.64 1je3 s ASN 23 CO 0.00 -0.28 0.00 -0.38 -3.72 0.00 0.00 177.10 172.72 1je3 n ILE 24 N 5.29 0.00 -3.07 -5.21 5.41 -1.26 -5.01 119.36 115.51 1je3 n ILE 24 Ca -0.04 0.13 -0.39 0.00 1.00 0.00 0.00 62.75 63.44 1je3 n ILE 24 Cb 0.50 -1.02 -0.05 0.00 -0.71 0.00 0.00 39.64 38.35 1je3 n ILE 24 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1je3 s VAL 25 N -0.40 4.72 -0.02 1.39 -7.23 -1.26 -4.79 120.40 112.81 1je3 s VAL 25 Ca 0.00 1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 61.67 1je3 s VAL 25 Cb 0.00 -4.05 -0.00 0.00 0.56 0.00 0.00 36.38 32.89 1je3 s VAL 25 CO 0.00 0.42 -0.02 1.55 -0.31 0.00 0.00 175.10 176.75 1je3 h PRO 26 N 5.32 0.00 -6.12 4.82 0.13 -1.76 -3.49 132.00 130.90 1je3 h PRO 26 Ca -0.45 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.34 1je3 h PRO 26 Cb 1.21 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 1je3 h PRO 26 CO 0.69 0.00 -0.74 -3.47 -0.23 0.00 0.00 178.00 174.25 1je3 n ASP 27 N -2.53 -5.88 -4.70 1.44 -0.08 0.47 -4.93 116.55 100.33 1je3 n ASP 27 Ca -0.01 -0.76 -0.35 0.00 -1.51 0.00 0.00 54.79 52.16 1je3 n ASP 27 Cb 0.03 -3.48 -0.09 0.00 2.34 0.00 0.00 41.12 39.91 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1je3 s TYR 28 N -3.22 3.24 -0.17 -0.67 5.04 -1.20 -4.82 117.35 115.55 1je3 s TYR 28 Ca 0.24 0.20 -0.07 0.00 -2.44 0.00 0.00 57.07 55.00 1je3 s TYR 28 Cb -0.08 -1.87 -0.04 0.00 0.35 0.00 0.00 41.96 40.31 1je3 s TYR 28 CO 0.84 0.43 0.06 -0.98 -1.34 0.00 0.00 175.55 174.56 1je3 s ARG 29 N -0.62 3.83 -0.54 4.97 1.70 -1.22 -0.15 118.95 126.92 1je3 s ARG 29 Ca 0.11 -0.34 0.04 0.00 -0.47 0.00 0.00 55.73 55.07 1je3 s ARG 29 Cb -0.12 -3.16 0.14 0.00 -0.57 0.00 0.00 34.95 31.25 1je3 s ARG 29 CO 0.02 0.36 0.32 -1.17 -1.08 0.00 0.00 175.30 173.75 1je3 s LEU 30 N 0.13 3.85 -1.00 -1.89 1.98 -0.54 -4.98 118.68 116.22 1je3 s LEU 30 Ca 0.05 -3.14 -0.02 0.00 -2.89 0.00 0.00 54.13 48.13 1je3 s LEU 30 Cb -0.12 -1.41 0.31 0.00 0.66 0.00 0.00 46.19 45.63 1je3 s LEU 30 CO 0.01 -0.20 1.58 -0.67 -1.89 0.00 0.00 176.35 175.18 1je3 n ASP 31 N 2.90 6.62 0.00 3.68 -0.08 -1.24 -0.40 116.55 128.03 1je3 n ASP 31 Ca 0.11 -3.56 0.00 0.00 -1.51 0.00 0.00 54.79 49.83 1je3 n ASP 31 Cb 0.34 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.66 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1je3 n MET 32 N 0.54 0.00 -4.23 -0.67 2.81 -0.78 -4.94 117.12 109.85 1je3 n MET 32 Ca 0.36 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.09 1je3 n MET 32 Cb 0.31 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.68 1je3 n MET 32 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1je3 s VAL 33 N 1.94 0.67 -0.83 2.03 0.11 -1.26 -3.09 120.40 119.98 1je3 s VAL 33 Ca 0.00 -0.65 -0.25 0.00 -2.93 0.00 0.00 61.98 58.15 1je3 s VAL 33 Cb 0.00 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1je3 s VAL 33 CO 0.00 -0.01 1.69 -0.83 -3.33 0.00 0.00 175.10 172.61 1je3 s GLY 34 N -0.74 0.57 0.06 6.54 0.00 -1.20 -4.85 107.32 107.70 1je3 s GLY 34 Ca -0.01 -1.45 0.09 0.00 0.00 0.00 0.00 44.72 43.35 1je3 s GLY 34 CO 0.00 3.13 -0.26 1.85 0.00 0.00 0.00 173.10 177.82 1je3 s GLU 35 N 6.30 1.70 0.00 2.90 2.12 -1.26 -4.70 118.70 125.76 1je3 s GLU 35 Ca 0.57 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.78 1je3 s GLU 35 Cb -0.07 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.41 1je3 s GLU 35 CO 0.05 0.49 0.00 -2.30 -0.54 0.00 0.00 175.26 172.96 1je3 n PRO 36 N 1.67 0.00 -3.10 4.30 -0.02 -1.26 -4.61 135.00 131.97 1je3 n PRO 36 Ca -0.17 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.14 1je3 n PRO 36 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.99 1je3 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1je3 h PRO 38 N 2.99 0.00 0.00 0.00 0.13 -1.97 -3.45 132.00 129.71 1je3 h PRO 38 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1je3 h PRO 38 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1je3 h PRO 38 CO 0.48 0.77 0.00 0.98 -0.23 0.00 0.00 178.00 180.00 1je3 n TYR 39 N -4.48 -0.32 0.00 1.56 9.36 -1.26 -4.88 117.16 117.14 1je3 n TYR 39 Ca -0.26 0.04 0.00 0.00 3.32 0.00 0.00 57.90 61.00 1je3 n TYR 39 Cb 0.58 0.52 0.00 0.00 -0.63 0.00 0.00 39.34 39.81 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1je3 n PRO 40 N -2.58 0.00 0.00 2.98 -0.04 -1.26 -2.82 135.00 131.28 1je3 n PRO 40 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1je3 n PRO 40 Cb 0.00 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 1je3 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1je3 n ALA 41 N -3.00 1.32 -0.26 0.55 0.00 -1.26 -2.86 120.51 115.00 1je3 n ALA 41 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1je3 n ALA 41 Cb 0.00 -0.90 0.47 0.00 0.00 0.00 0.00 19.45 19.02 1je3 n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1je3 h VAL 42 N 0.00 0.70 -0.20 0.00 2.07 -1.82 0.19 116.25 117.19 1je3 h VAL 42 Ca 0.00 -0.17 -0.16 0.00 0.82 0.00 0.00 66.70 67.19 1je3 h VAL 42 Cb 0.01 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1je3 h VAL 42 CO 0.00 0.09 -0.54 0.00 0.02 0.00 0.00 177.57 177.14 1je3 h ALA 43 N 1.61 0.67 -0.80 1.67 0.00 -1.69 -2.96 119.26 117.77 1je3 h ALA 43 Ca 0.48 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1je3 h ALA 43 Cb 1.07 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1je3 h ALA 43 CO -0.21 0.69 0.47 1.15 0.00 0.00 0.00 179.25 181.35 1je3 h THR 44 N 0.46 0.97 0.34 0.00 2.02 -0.87 0.15 112.91 115.99 1je3 h THR 44 Ca 0.01 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1je3 h THR 44 Cb 1.09 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1je3 h THR 44 CO 0.11 0.15 -0.17 0.25 0.37 0.00 0.00 175.52 176.23 1je3 h LEU 45 N 0.83 -0.39 -1.33 2.58 5.85 -1.39 -2.90 115.31 118.55 1je3 h LEU 45 Ca 0.36 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1je3 h LEU 45 Cb 0.25 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1je3 h LEU 45 CO -0.20 0.01 0.00 1.05 -0.34 0.00 0.00 178.44 178.95 1je3 h GLU 46 N -0.86 0.00 -0.04 1.25 -0.00 -1.38 -1.01 114.58 112.54 1je3 h GLU 46 Ca -0.05 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.12 1je3 h GLU 46 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.28 1je3 h GLU 46 CO 0.08 0.00 -0.82 0.00 -0.00 0.00 0.00 179.01 178.27 1je3 h ALA 47 N 2.08 0.52 -0.56 1.06 0.00 -0.52 -3.22 119.26 118.62 1je3 h ALA 47 Ca 0.00 -0.66 0.11 0.00 0.00 0.00 0.00 54.91 54.36 1je3 h ALA 47 Cb 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1je3 h ALA 47 CO 0.00 0.81 0.05 1.98 0.00 0.00 0.00 179.25 182.08 1je3 h MET 48 N 0.23 0.16 0.09 0.00 1.85 -0.99 0.21 114.93 116.48 1je3 h MET 48 Ca -0.05 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1je3 h MET 48 Cb 1.42 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.41 1je3 h MET 48 CO 0.14 0.11 -0.04 -1.35 -0.40 0.00 0.00 176.91 175.36 1je3 h PRO 49 N 0.17 -0.12 -0.35 0.39 0.11 -1.71 -2.90 132.00 127.60 1je3 h PRO 49 Ca 0.29 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1je3 h PRO 49 Cb 0.44 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1je3 h PRO 49 CO -0.43 0.28 0.00 1.04 -0.21 0.00 0.00 178.00 178.68 1je3 n GLN 50 N -4.95 0.66 -0.76 1.05 1.13 -1.00 -4.88 117.38 108.63 1je3 n GLN 50 Ca -0.09 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.65 1je3 n GLN 50 Cb 0.24 -1.17 0.13 0.00 0.11 0.00 0.00 30.24 29.55 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1je3 n LEU 51 N -0.15 -0.19 0.00 1.08 -0.00 0.72 -4.98 117.00 113.47 1je3 n LEU 51 Ca 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 1je3 n LEU 51 Cb 0.09 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.31 1je3 n LEU 51 CO 0.00 -3.43 0.00 0.29 -0.00 0.00 0.00 177.39 174.25 1je3 n LYS 52 N -2.05 0.00 -1.38 1.47 5.02 -1.26 -5.04 118.16 114.91 1je3 n LYS 52 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1je3 n LYS 52 Cb 0.54 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.63 1je3 n LYS 52 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1je3 n LYS 53 N 0.00 2.75 -2.67 1.97 4.76 -1.26 -4.58 118.16 119.13 1je3 n LYS 53 Ca 0.00 -3.35 -0.05 0.00 -2.87 0.00 0.00 58.31 52.04 1je3 n LYS 53 Cb 0.00 -2.28 0.08 0.00 -1.84 0.00 0.00 35.03 30.99 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1je3 n GLY 54 N -0.91 -1.48 3.67 0.72 0.00 -1.26 -5.06 105.19 100.87 1je3 n GLY 54 Ca 0.61 0.87 -0.28 0.00 0.00 0.00 0.00 46.02 47.23 1je3 n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1je3 s GLU 55 N 0.15 2.44 0.01 1.61 8.01 -1.26 -4.04 118.70 125.63 1je3 s GLU 55 Ca 0.25 -1.01 -0.28 0.00 0.01 0.00 0.00 54.97 53.94 1je3 s GLU 55 Cb 0.23 -2.42 0.07 0.00 -4.31 0.00 0.00 34.13 27.70 1je3 s GLU 55 CO -0.12 0.48 0.64 0.42 0.01 0.00 0.00 175.26 176.70 1je3 s ILE 56 N -1.56 0.00 -0.27 -1.63 1.01 -1.26 -1.15 121.20 116.34 1je3 s ILE 56 Ca 0.27 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.66 1je3 s ILE 56 Cb -0.10 -0.99 0.08 0.00 0.01 0.00 0.00 42.46 41.45 1je3 s ILE 56 CO 0.18 -0.01 0.74 -0.22 0.00 0.00 0.00 174.94 175.63 1je3 s LEU 57 N -1.63 -0.77 -0.04 2.97 2.96 0.20 0.18 118.68 122.55 1je3 s LEU 57 Ca -0.08 1.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.31 1je3 s LEU 57 Cb -0.00 2.40 -0.02 0.00 0.50 0.00 0.00 46.19 49.07 1je3 s LEU 57 CO 0.03 -0.24 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.98 1je3 s GLU 58 N 0.65 2.39 0.02 1.98 2.02 0.78 -0.94 118.70 125.60 1je3 s GLU 58 Ca -0.02 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1je3 s GLU 58 Cb -0.05 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.99 1je3 s GLU 58 CO -0.04 0.49 -0.03 0.08 0.02 0.00 0.00 175.26 175.78 1je3 s VAL 59 N -0.43 0.12 -0.29 2.63 1.01 0.78 -1.47 120.40 122.75 1je3 s VAL 59 Ca 0.05 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1je3 s VAL 59 Cb -0.12 -0.29 0.17 0.00 0.00 0.00 0.00 36.38 36.15 1je3 s VAL 59 CO 0.01 -0.51 0.47 0.68 0.00 0.00 0.00 175.10 175.76 1je3 s VAL 60 N -1.50 -0.77 0.19 2.92 -7.23 0.46 -2.55 120.40 111.92 1je3 s VAL 60 Ca -0.15 -0.19 -0.05 0.00 -1.81 0.00 0.00 61.98 59.78 1je3 s VAL 60 Cb -0.10 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.83 1je3 s VAL 60 CO -0.01 -0.18 0.22 -0.44 -0.31 0.00 0.00 175.10 174.38 1je3 s SER 61 N 2.65 0.11 -0.04 4.85 0.01 -0.72 -1.87 113.70 118.69 1je3 s SER 61 Ca 0.10 -1.14 0.06 0.00 1.31 0.00 0.00 55.95 56.28 1je3 s SER 61 Cb -0.12 0.42 -0.01 0.00 0.21 0.00 0.00 66.02 66.52 1je3 s SER 61 CO -0.28 -0.89 -0.23 1.51 0.41 0.00 0.00 173.24 173.76 1je3 s ASP 62 N -3.06 2.80 -0.28 2.44 -4.77 -1.18 -1.88 116.67 110.74 1je3 s ASP 62 Ca 0.28 -0.45 -0.14 0.00 -3.30 0.00 0.00 52.55 48.94 1je3 s ASP 62 Cb 0.05 -0.60 0.09 0.00 -1.09 0.00 0.00 42.92 41.38 1je3 s ASP 62 CO 0.06 0.25 0.65 0.00 0.70 0.00 0.00 175.17 176.83 1je3 n PRO 64 N 4.69 0.12 0.00 0.00 -0.04 -1.26 -4.71 135.00 133.80 1je3 n PRO 64 Ca -0.17 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1je3 n PRO 64 Cb 0.56 -1.75 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1je3 n PRO 64 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1je3 n GLN 65 N -1.98 2.34 0.05 0.54 6.02 -1.26 -5.09 117.38 118.01 1je3 n GLN 65 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1je3 n GLN 65 Cb 0.18 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.44 1je3 n GLN 65 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1je3 n SER 66 N 0.00 0.45 -4.12 1.08 7.64 -1.26 -4.90 113.62 112.50 1je3 n SER 66 Ca 0.00 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 1je3 n SER 66 Cb 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1je3 n SER 66 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1je3 n ILE 67 N -3.27 3.25 -0.82 0.44 -0.00 -1.26 -4.10 119.36 113.60 1je3 n ILE 67 Ca 0.00 -3.11 0.00 0.00 -0.00 0.00 0.00 62.75 59.64 1je3 n ILE 67 Cb 0.12 -2.43 0.00 0.00 -0.00 0.00 0.00 39.64 37.33 1je3 n ILE 67 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1je3 n ASN 68 N 8.04 0.27 -4.69 4.38 6.94 -1.26 -4.78 115.26 124.14 1je3 n ASN 68 Ca 0.50 -1.09 -0.42 0.00 -0.02 0.00 0.00 54.58 53.55 1je3 n ASN 68 Cb 0.43 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 1je3 n ASN 68 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1je3 s ASN 69 N -0.09 6.94 0.21 0.53 -0.87 -1.26 -4.14 114.94 116.26 1je3 s ASN 69 Ca 0.00 2.03 -0.10 0.00 -1.57 0.00 0.00 52.86 53.22 1je3 s ASN 69 Cb 0.00 -2.56 0.28 0.00 -0.02 0.00 0.00 41.25 38.94 1je3 s ASN 69 CO 0.00 -0.64 1.74 0.40 -2.57 0.00 0.00 177.10 176.03 1je3 h ILE 70 N 4.84 0.77 0.00 0.60 1.08 -1.94 0.11 117.51 122.98 1je3 h ILE 70 Ca -0.38 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1je3 h ILE 70 Cb 1.18 0.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1je3 h ILE 70 CO 0.88 0.07 -0.06 1.55 -0.69 0.00 0.00 178.15 179.91 1je3 h PRO 71 N 0.41 0.00 -0.09 2.37 0.13 -1.93 -1.23 132.00 131.65 1je3 h PRO 71 Ca 0.31 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.38 1je3 h PRO 71 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 1je3 h PRO 71 CO -0.31 0.06 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.27 1je3 h LEU 72 N 0.00 0.14 -0.24 1.56 4.07 -1.15 0.62 115.31 120.31 1je3 h LEU 72 Ca -0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1je3 h LEU 72 Cb 0.23 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1je3 h LEU 72 CO 0.01 0.34 0.04 0.44 -1.08 0.00 0.00 178.44 178.19 1je3 h ASP 73 N 0.14 0.38 0.64 -0.43 5.19 -1.08 0.28 116.42 121.54 1je3 h ASP 73 Ca 0.03 -0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.05 1je3 h ASP 73 Cb 0.41 -0.10 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1je3 h ASP 73 CO 0.03 0.54 -0.64 0.00 -3.12 0.00 0.00 179.24 176.05 1je3 h ALA 74 N 0.85 0.94 0.09 3.45 0.00 -1.43 -2.97 119.26 120.20 1je3 h ALA 74 Ca 0.07 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1je3 h ALA 74 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1je3 h ALA 74 CO 0.00 0.80 -0.04 -0.09 0.00 0.00 0.00 179.25 179.92 1je3 h ARG 75 N 0.00 -0.12 -0.40 0.00 2.43 0.42 0.32 114.38 117.03 1je3 h ARG 75 Ca -0.01 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1je3 h ARG 75 Cb 1.13 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 1je3 h ARG 75 CO 0.08 0.40 -0.18 -0.97 -1.51 0.00 0.00 179.97 177.80 1je3 h ASN 76 N -0.77 -0.61 0.27 -3.80 -1.24 -0.51 -2.93 115.58 105.98 1je3 h ASN 76 Ca -0.01 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 1je3 h ASN 76 Cb 0.58 0.34 0.00 0.00 0.73 0.00 0.00 38.32 39.97 1je3 h ASN 76 CO 0.02 -0.21 -0.13 -0.74 -1.29 0.00 0.00 177.43 175.08 1je3 h HIS 77 N -0.10 -0.33 0.00 0.67 2.76 -1.62 -3.50 115.15 113.02 1je3 h HIS 77 Ca 0.20 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1je3 h HIS 77 Cb 0.40 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1je3 h HIS 77 CO -0.42 -0.01 0.00 0.41 -1.30 0.00 0.00 177.93 176.61 1je3 n GLY 78 N 0.49 3.01 0.00 5.26 0.00 0.93 -5.10 105.19 109.77 1je3 n GLY 78 Ca -0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1je3 n GLY 78 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1je3 n TYR 79 N 0.00 0.00 0.00 1.61 4.19 -0.13 -4.87 117.16 117.96 1je3 n TYR 79 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1je3 n TYR 79 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 1je3 n THR 80 N 0.00 0.00 -4.21 2.97 -1.04 -1.26 -5.05 114.28 105.69 1je3 n THR 80 Ca 0.00 0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 1je3 n THR 80 Cb 0.00 -0.81 -0.16 0.00 -1.82 0.00 0.00 70.33 67.54 1je3 n THR 80 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1je3 s VAL 81 N -0.13 1.92 -0.28 12.58 1.01 -0.60 -5.01 120.40 129.89 1je3 s VAL 81 Ca 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1je3 s VAL 81 Cb 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 36.38 34.71 1je3 s VAL 81 CO 0.00 0.52 -0.02 -0.76 0.00 0.00 0.00 175.10 174.84 1je3 s LEU 82 N 1.24 3.32 -0.01 3.92 2.01 -1.26 -1.64 118.68 126.25 1je3 s LEU 82 Ca 0.02 -1.54 0.04 0.00 0.01 0.00 0.00 54.13 52.66 1je3 s LEU 82 Cb -0.13 -1.35 -0.01 0.00 0.01 0.00 0.00 46.19 44.71 1je3 s LEU 82 CO -0.10 -0.28 -0.13 -1.81 1.01 0.00 0.00 176.35 175.04 1je3 s ASP 83 N 1.22 1.51 0.29 2.29 1.01 -0.84 -5.04 116.67 117.10 1je3 s ASP 83 Ca -0.00 -0.23 0.05 0.00 0.71 0.00 0.00 52.55 53.08 1je3 s ASP 83 Cb -0.19 -0.21 -0.06 0.00 1.01 0.00 0.00 42.92 43.47 1je3 s ASP 83 CO -0.09 0.15 -0.02 0.27 0.21 0.00 0.00 175.17 175.69 1je3 s ILE 84 N -0.21 1.43 -0.15 0.77 -0.00 -1.26 -0.95 121.20 120.83 1je3 s ILE 84 Ca 0.03 -2.07 -0.19 0.00 -0.00 0.00 0.00 60.65 58.42 1je3 s ILE 84 Cb -0.06 -2.53 0.05 0.00 -0.00 0.00 0.00 42.46 39.92 1je3 s ILE 84 CO -0.00 -0.22 0.51 -1.58 -0.00 0.00 0.00 174.94 173.64 1je3 s GLN 85 N -3.79 0.68 0.14 0.37 0.74 -0.06 -4.98 119.66 112.76 1je3 s GLN 85 Ca 0.31 0.52 0.09 0.00 0.05 0.00 0.00 55.36 56.33 1je3 s GLN 85 Cb 0.06 0.32 -0.04 0.00 1.10 0.00 0.00 33.01 34.45 1je3 s GLN 85 CO 0.12 -0.12 -0.21 -0.65 -0.55 0.00 0.00 175.29 173.88 1je3 s GLN 86 N -0.17 1.27 0.00 1.67 1.11 -1.26 -0.97 119.66 121.30 1je3 s GLN 86 Ca -0.04 -1.33 0.00 0.00 0.01 0.00 0.00 55.36 54.00 1je3 s GLN 86 Cb -0.03 -1.47 0.00 0.00 -1.01 0.00 0.00 33.01 30.49 1je3 s GLN 86 CO 0.03 0.32 0.00 -3.47 0.01 0.00 0.00 175.29 172.18 1je3 n ASP 87 N 0.62 0.00 0.00 5.90 2.03 -1.20 -5.00 116.55 118.90 1je3 n ASP 87 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1je3 n ASP 87 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1je3 n GLY 88 N 3.71 1.79 0.04 0.27 0.00 -1.26 -4.94 105.19 104.80 1je3 n GLY 88 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.84 1je3 n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1je3 n PRO 89 N 0.00 1.05 -4.22 1.61 -0.04 -1.26 -4.85 135.00 127.29 1je3 n PRO 89 Ca 0.00 -0.08 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1je3 n PRO 89 Cb 0.00 -1.23 -0.08 0.00 -0.04 0.00 0.00 33.50 32.15 1je3 n PRO 89 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1je3 s THR 90 N -1.98 0.00 -0.14 0.52 -4.23 -1.26 -4.82 115.64 103.72 1je3 s THR 90 Ca 0.22 -1.94 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1je3 s THR 90 Cb 0.10 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.49 1je3 s THR 90 CO 0.17 0.00 0.35 -0.51 -0.54 0.00 0.00 174.62 174.09 1je3 s ILE 91 N -3.74 -0.02 -0.08 2.99 2.07 -0.79 -3.25 121.20 118.39 1je3 s ILE 91 Ca 0.38 0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.72 1je3 s ILE 91 Cb 0.04 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.12 1je3 s ILE 91 CO 0.20 0.02 -0.19 -0.60 -1.91 0.00 0.00 174.94 172.46 1je3 s ARG 92 N 0.78 2.41 0.25 3.50 3.52 -0.15 -1.75 118.95 127.51 1je3 s ARG 92 Ca -0.05 -0.68 0.09 0.00 -0.13 0.00 0.00 55.73 54.96 1je3 s ARG 92 Cb -0.06 -1.89 -0.05 0.00 -1.56 0.00 0.00 34.95 31.39 1je3 s ARG 92 CO -0.06 0.14 -0.14 0.71 -0.81 0.00 0.00 175.30 175.14 1je3 s TYR 93 N 0.42 1.97 -0.09 5.12 2.02 -1.06 -0.88 117.35 124.85 1je3 s TYR 93 Ca -0.15 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 55.81 1je3 s TYR 93 Cb -0.16 -0.95 0.05 0.00 -0.40 0.00 0.00 41.96 40.50 1je3 s TYR 93 CO 0.06 0.47 0.52 -0.48 -1.57 0.00 0.00 175.55 174.55 1je3 s LEU 94 N -3.42 0.02 0.18 -1.29 2.34 -0.13 -0.16 118.68 116.22 1je3 s LEU 94 Ca 0.27 0.66 0.09 0.00 0.06 0.00 0.00 54.13 55.20 1je3 s LEU 94 Cb -0.01 1.90 -0.04 0.00 -0.56 0.00 0.00 46.19 47.48 1je3 s LEU 94 CO 0.11 -0.41 -0.19 0.27 -1.06 0.00 0.00 176.35 175.07 1je3 s ILE 95 N -0.70 1.95 0.02 1.48 -5.25 -0.12 -1.99 121.20 116.59 1je3 s ILE 95 Ca -0.08 -1.96 -0.00 0.00 -0.99 0.00 0.00 60.65 57.61 1je3 s ILE 95 Cb -0.03 -1.92 0.00 0.00 2.95 0.00 0.00 42.46 43.46 1je3 s ILE 95 CO 0.05 -0.28 0.04 0.00 -1.79 0.00 0.00 174.94 172.95 1je3 n GLN 96 N 0.24 0.05 0.00 0.37 0.00 -0.65 0.62 117.38 118.02 1je3 n GLN 96 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 57.00 56.73 1je3 n GLN 96 Cb 0.57 0.16 0.00 0.00 0.00 0.00 0.00 30.24 30.97 1je3 n GLN 96 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42