#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1je3 s GLY 2 N 0.00 1.78 0.00 -5.12 0.00 -1.26 -4.95 107.32 97.78 1je3 s GLY 2 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1je3 s GLY 2 CO 0.00 -0.01 0.00 -1.26 0.00 0.00 0.00 173.10 171.83 1je3 n SER 3 N 3.58 4.22 -4.71 1.64 2.88 -1.26 -5.02 113.62 114.95 1je3 n SER 3 Ca -0.17 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.02 1je3 n SER 3 Cb 0.52 0.49 -0.08 0.00 -0.75 0.00 0.00 64.21 64.38 1je3 n SER 3 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1je3 s SER 4 N -2.54 6.19 -0.03 -3.46 1.04 -1.26 -5.09 113.70 108.55 1je3 s SER 4 Ca 0.00 0.21 0.05 0.00 0.48 0.00 0.00 55.95 56.68 1je3 s SER 4 Cb 0.00 -2.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.02 1je3 s SER 4 CO 0.00 0.15 -0.17 -1.00 0.98 0.00 0.00 173.24 173.20 1je3 s HIS 5 N 0.54 1.62 0.12 5.02 0.09 -1.26 -5.15 115.29 116.27 1je3 s HIS 5 Ca 0.08 -0.40 0.01 0.00 -0.00 0.00 0.00 55.06 54.75 1je3 s HIS 5 Cb -0.12 -1.07 0.01 0.00 -0.00 0.00 0.00 32.58 31.40 1je3 s HIS 5 CO -0.00 -0.10 0.04 0.72 -0.00 0.00 0.00 174.74 175.40 1je3 n HIS 6 N 2.94 -0.44 0.00 1.40 -0.00 -1.26 -5.11 115.22 112.74 1je3 n HIS 6 Ca -0.17 -0.56 0.00 0.00 -0.00 0.00 0.00 57.72 56.99 1je3 n HIS 6 Cb 0.53 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1je3 n HIS 6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1je3 n HIS 7 N -0.52 0.00 -2.30 4.41 -0.00 -1.26 -5.02 115.22 110.53 1je3 n HIS 7 Ca -0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.43 1je3 n HIS 7 Cb 0.15 -0.17 0.12 0.00 -0.00 0.00 0.00 29.99 30.09 1je3 n HIS 7 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 8 N -0.77 1.93 0.70 1.57 4.02 -1.26 -5.09 115.29 116.39 1je3 s HIS 8 Ca 0.00 0.07 -0.12 0.00 1.02 0.00 0.00 55.06 56.03 1je3 s HIS 8 Cb 0.00 -3.37 0.17 0.00 -1.02 0.00 0.00 32.58 28.36 1je3 s HIS 8 CO 0.00 -1.90 0.69 1.58 1.02 0.00 0.00 174.74 176.13 1je3 n HIS 9 N -3.12 -3.64 -0.08 1.40 -0.00 -1.26 -5.04 115.22 103.48 1je3 n HIS 9 Ca 0.13 -0.62 -0.15 0.00 -0.00 0.00 0.00 57.72 57.08 1je3 n HIS 9 Cb 0.60 -0.67 -0.07 0.00 -0.00 0.00 0.00 29.99 29.86 1je3 n HIS 9 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1je3 n HIS 10 N -3.73 0.00 -4.12 1.57 -0.00 -1.26 -5.09 115.22 102.60 1je3 n HIS 10 Ca 0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.75 1je3 n HIS 10 Cb 0.35 -0.61 -0.02 0.00 -0.00 0.00 0.00 29.99 29.71 1je3 n HIS 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1je3 n SER 11 N -3.45 0.80 -2.15 0.41 7.64 -1.26 -5.17 113.62 110.44 1je3 n SER 11 Ca -0.32 -1.55 -0.00 0.00 1.01 0.00 0.00 58.87 58.01 1je3 n SER 11 Cb 0.76 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1je3 n SER 11 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1je3 n SER 12 N -2.06 -0.27 0.00 6.43 3.41 -1.26 -5.09 113.62 114.77 1je3 n SER 12 Ca -0.01 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1je3 n SER 12 Cb 0.15 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 4.25 0.60 2.57 5.00 0.00 -1.26 -5.06 105.19 111.30 1je3 n GLY 13 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.42 -0.14 0.99 1.43 -1.26 -5.07 118.68 117.05 1je3 s LEU 14 Ca 0.00 -3.16 -0.03 0.00 -1.03 0.00 0.00 54.13 49.91 1je3 s LEU 14 Cb 0.00 -0.82 0.05 0.00 0.03 0.00 0.00 46.19 45.45 1je3 s LEU 14 CO 0.00 -0.17 0.05 0.54 0.23 0.00 0.00 176.35 177.01 1je3 s VAL 15 N -0.23 0.17 -0.53 -1.59 0.11 -1.26 -5.01 120.40 112.07 1je3 s VAL 15 Ca 0.28 -0.14 0.24 0.00 -2.93 0.00 0.00 61.98 59.42 1je3 s VAL 15 Cb -0.04 -0.64 0.27 0.00 -1.53 0.00 0.00 36.38 34.44 1je3 s VAL 15 CO -0.15 -0.10 1.58 1.55 -3.33 0.00 0.00 175.10 174.65 1je3 h PRO 16 N 8.35 0.00 -4.80 1.54 0.13 -2.05 -3.42 132.00 131.76 1je3 h PRO 16 Ca -0.16 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.31 1je3 h PRO 16 Cb 1.13 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.88 1je3 h PRO 16 CO 0.28 0.00 -0.77 1.03 -0.23 0.00 0.00 178.00 178.31 1je3 s ARG 17 N -3.19 1.94 -0.06 0.86 0.52 -1.26 -4.96 118.95 112.80 1je3 s ARG 17 Ca 0.07 -1.56 0.11 0.00 -0.52 0.00 0.00 55.73 53.83 1je3 s ARG 17 Cb 0.08 -3.02 0.42 0.00 0.52 0.00 0.00 34.95 32.95 1je3 s ARG 17 CO 0.66 -0.72 1.27 0.41 0.02 0.00 0.00 175.30 176.95 1je3 n GLY 18 N 4.36 1.62 0.00 -3.53 0.00 -1.26 -4.90 105.19 101.48 1je3 n GLY 18 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1je3 n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1je3 n SER 19 N 0.58 0.00 -4.56 1.61 3.41 -1.26 -4.93 113.62 108.47 1je3 n SER 19 Ca 0.15 -0.76 -0.48 0.00 -0.26 0.00 0.00 58.87 57.52 1je3 n SER 19 Cb 0.56 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.46 1je3 n SER 19 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1je3 n HIS 20 N -1.32 1.92 0.00 7.33 -0.00 -1.26 -4.81 115.22 117.08 1je3 n HIS 20 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1je3 n HIS 20 Cb 0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.37 1je3 n HIS 20 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1je3 n MET 21 N 7.82 0.00 0.05 -1.40 1.56 -1.26 -5.06 117.12 118.82 1je3 n MET 21 Ca 0.33 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.76 1je3 n MET 21 Cb 0.30 -0.12 0.00 0.00 2.15 0.00 0.00 33.22 35.55 1je3 n MET 21 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1je3 n LYS 22 N -2.49 0.00 -4.33 2.12 2.85 -1.26 -5.10 118.16 109.95 1je3 n LYS 22 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1je3 n LYS 22 Cb 0.00 -0.16 -0.15 0.00 -0.65 0.00 0.00 35.03 34.06 1je3 n LYS 22 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1je3 s ASN 23 N -5.14 1.08 -0.09 -5.58 0.01 -1.26 -5.14 114.94 98.82 1je3 s ASN 23 Ca 0.00 -0.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 1je3 s ASN 23 Cb 0.00 -0.29 0.02 0.00 0.41 0.00 0.00 41.25 41.39 1je3 s ASN 23 CO 0.00 0.05 -0.09 -0.63 -1.51 0.00 0.00 177.10 174.92 1je3 s ILE 24 N 0.22 1.04 -0.22 0.60 1.09 -1.26 -5.04 121.20 117.63 1je3 s ILE 24 Ca -0.03 -0.35 -0.16 0.00 -1.10 0.00 0.00 60.65 59.00 1je3 s ILE 24 Cb -0.08 -1.01 -0.11 0.00 -1.06 0.00 0.00 42.46 40.20 1je3 s ILE 24 CO 0.00 0.35 -0.22 0.52 -0.10 0.00 0.00 174.94 175.50 1je3 n VAL 25 N 4.43 1.51 -2.03 2.92 0.31 -1.26 -4.69 118.33 119.53 1je3 n VAL 25 Ca -0.17 -0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.62 1je3 n VAL 25 Cb 0.51 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1je3 s PRO 26 N -2.54 3.97 -0.21 5.55 0.04 -1.26 -4.09 135.00 136.45 1je3 s PRO 26 Ca -0.31 1.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 1je3 s PRO 26 Cb 0.09 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1je3 s PRO 26 CO 0.46 -1.10 0.16 -0.40 0.04 0.00 0.00 177.00 176.17 1je3 n ASP 27 N 7.92 -7.03 -4.84 6.66 5.75 -0.05 -4.77 116.55 120.19 1je3 n ASP 27 Ca 0.19 0.66 -0.32 0.00 -0.01 0.00 0.00 54.79 55.30 1je3 n ASP 27 Cb 0.44 -3.19 -0.06 0.00 -1.03 0.00 0.00 41.12 37.29 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1je3 s TYR 28 N -1.44 3.39 -0.13 2.11 5.04 -1.18 -4.80 117.35 120.34 1je3 s TYR 28 Ca 0.08 0.24 -0.05 0.00 -2.44 0.00 0.00 57.07 54.91 1je3 s TYR 28 Cb -0.01 -1.75 -0.04 0.00 0.35 0.00 0.00 41.96 40.51 1je3 s TYR 28 CO 0.46 0.58 0.04 1.03 -1.34 0.00 0.00 175.55 176.33 1je3 s ARG 29 N -2.01 3.44 -0.47 4.97 0.52 -1.25 -0.39 118.95 123.76 1je3 s ARG 29 Ca 0.27 -0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.17 1je3 s ARG 29 Cb -0.12 -3.01 0.16 0.00 0.52 0.00 0.00 34.95 32.50 1je3 s ARG 29 CO 0.19 0.54 0.34 -1.17 0.02 0.00 0.00 175.30 175.22 1je3 s LEU 30 N -0.40 2.22 -0.99 2.53 1.98 -0.69 -4.98 118.68 118.35 1je3 s LEU 30 Ca 0.09 -3.07 -0.02 0.00 -2.89 0.00 0.00 54.13 48.24 1je3 s LEU 30 Cb -0.12 -0.75 0.31 0.00 0.66 0.00 0.00 46.19 46.28 1je3 s LEU 30 CO 0.02 -0.18 1.48 -0.67 -1.89 0.00 0.00 176.35 175.11 1je3 n ASP 31 N 2.89 6.32 0.00 3.68 -0.08 -1.24 -0.10 116.55 128.02 1je3 n ASP 31 Ca 0.23 -3.51 0.00 0.00 -1.51 0.00 0.00 54.79 50.00 1je3 n ASP 31 Cb 0.42 -1.14 0.00 0.00 2.34 0.00 0.00 41.12 42.74 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 0.80 0.00 -4.11 -0.67 2.81 -0.58 -4.92 117.12 110.45 1je3 n MET 32 Ca 0.32 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.08 1je3 n MET 32 Cb 0.32 0.00 -0.11 0.00 -0.71 0.00 0.00 33.22 32.72 1je3 n MET 32 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1je3 s VAL 33 N 2.26 0.68 -1.24 2.03 1.01 -1.26 -2.98 120.40 120.90 1je3 s VAL 33 Ca 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 60.69 1je3 s VAL 33 Cb 0.00 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.49 1je3 s VAL 33 CO 0.00 -0.48 1.03 0.61 0.00 0.00 0.00 175.10 176.27 1je3 n GLY 34 N 1.06 -0.52 3.72 4.51 0.00 -1.21 -4.71 105.19 108.04 1je3 n GLY 34 Ca -0.20 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 1je3 n GLY 34 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1je3 s GLU 35 N -2.76 1.73 -0.80 1.61 -1.05 -1.26 -4.20 118.70 111.97 1je3 s GLU 35 Ca 0.03 1.42 -0.25 0.00 -0.15 0.00 0.00 54.97 56.02 1je3 s GLU 35 Cb 0.03 -1.82 -0.15 0.00 -0.44 0.00 0.00 34.13 31.75 1je3 s GLU 35 CO 0.07 -2.08 2.40 -2.30 0.95 0.00 0.00 175.26 174.30 1je3 n PRO 36 N -3.67 0.52 -2.08 -4.83 -0.02 -1.26 -4.93 135.00 118.73 1je3 n PRO 36 Ca 0.11 -0.83 -0.30 0.00 -2.02 0.00 0.00 63.50 60.46 1je3 n PRO 36 Cb 0.52 -3.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.43 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 -0.10 -0.33 -2.08 0.00 0.11 -2.00 -3.36 132.00 124.23 1je3 h PRO 38 Ca -0.45 0.02 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 1je3 h PRO 38 Cb 1.19 0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.98 1je3 h PRO 38 CO 0.62 -0.22 -0.97 2.48 -0.21 0.00 0.00 178.00 179.70 1je3 n TYR 39 N -5.26 1.24 0.00 0.65 0.18 -1.26 -4.97 117.16 107.74 1je3 n TYR 39 Ca -0.09 -3.82 0.00 0.00 1.88 0.00 0.00 57.90 55.87 1je3 n TYR 39 Cb 0.17 -0.43 0.00 0.00 -0.38 0.00 0.00 39.34 38.70 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 1je3 n PRO 40 N 0.69 0.00 0.00 -3.48 -0.04 -1.26 -4.69 135.00 126.22 1je3 n PRO 40 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1je3 n PRO 40 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 1.26 -0.36 0.55 0.00 -1.26 -2.86 120.51 114.83 1je3 n ALA 41 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 53.44 53.76 1je3 n ALA 41 Cb 0.00 -0.98 0.65 0.00 0.00 0.00 0.00 19.45 19.12 1je3 n ALA 41 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1je3 h VAL 42 N 0.00 0.39 -0.15 0.00 3.04 -1.93 0.56 116.25 118.15 1je3 h VAL 42 Ca 0.00 -0.06 -0.22 0.00 -1.01 0.00 0.00 66.70 65.41 1je3 h VAL 42 Cb 0.01 0.21 0.01 0.00 -2.01 0.00 0.00 31.29 29.51 1je3 h VAL 42 CO 0.00 0.03 -0.78 0.00 -1.01 0.00 0.00 177.57 175.81 1je3 h ALA 43 N 1.50 0.34 0.21 3.17 0.00 -1.85 -3.17 119.26 119.46 1je3 h ALA 43 Ca 0.63 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1je3 h ALA 43 Cb 2.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 1je3 h ALA 43 CO -0.18 0.69 -0.30 1.15 0.00 0.00 0.00 179.25 180.61 1je3 h THR 44 N 0.52 0.37 0.11 0.00 2.02 -0.13 0.23 112.91 116.02 1je3 h THR 44 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1je3 h THR 44 Cb 1.40 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 1je3 h THR 44 CO 0.16 0.00 -0.16 -0.07 0.37 0.00 0.00 175.52 175.82 1je3 h LEU 45 N -0.57 -0.44 -0.24 2.58 3.38 -1.58 -1.17 115.31 117.27 1je3 h LEU 45 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1je3 h LEU 45 Cb 0.56 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1je3 h LEU 45 CO -0.11 -0.23 0.00 -1.84 0.09 0.00 0.00 178.44 176.34 1je3 n GLU 46 N -5.29 0.06 -0.04 1.13 0.28 -1.16 -2.64 120.64 112.98 1je3 n GLU 46 Ca -0.07 0.34 -0.16 0.00 -0.16 0.00 0.00 57.16 57.11 1je3 n GLU 46 Cb 0.20 -1.61 -0.05 0.00 1.43 0.00 0.00 31.44 31.41 1je3 n GLU 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1je3 h ALA 47 N 2.37 0.40 -0.07 -1.84 0.00 0.75 -2.58 119.26 118.29 1je3 h ALA 47 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 54.91 54.38 1je3 h ALA 47 Cb 0.24 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1je3 h ALA 47 CO 0.00 0.69 -0.24 0.52 0.00 0.00 0.00 179.25 180.21 1je3 h MET 48 N 0.58 -0.33 0.13 0.00 2.86 -1.41 0.40 114.93 117.17 1je3 h MET 48 Ca -0.02 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1je3 h MET 48 Cb 1.30 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1je3 h MET 48 CO 0.14 -0.22 -0.06 -1.00 1.06 0.00 0.00 176.91 176.83 1je3 h PRO 49 N -0.34 -0.17 -0.64 -0.22 0.13 -1.74 -2.92 132.00 126.10 1je3 h PRO 49 Ca 0.08 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1je3 h PRO 49 Cb 0.46 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1je3 h PRO 49 CO -0.27 0.20 0.00 1.04 -0.23 0.00 0.00 178.00 178.74 1je3 n GLN 50 N -4.99 0.69 -0.48 0.86 6.02 -0.97 -4.88 117.38 113.63 1je3 n GLN 50 Ca -0.09 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.70 1je3 n GLN 50 Cb 0.23 -1.32 0.17 0.00 1.02 0.00 0.00 30.24 30.34 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1je3 n LEU 51 N 0.11 -1.21 0.00 1.08 -0.00 0.14 -4.93 117.00 112.19 1je3 n LEU 51 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 56.01 55.56 1je3 n LEU 51 Cb 0.16 -0.81 0.00 0.00 -0.00 0.00 0.00 43.42 42.77 1je3 n LEU 51 CO 0.00 -3.45 0.00 0.29 -0.00 0.00 0.00 177.39 174.23 1je3 n LYS 52 N -2.41 0.00 -0.25 1.47 4.76 -1.26 -5.00 118.16 115.47 1je3 n LYS 52 Ca 0.07 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.48 1je3 n LYS 52 Cb 0.39 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.64 1je3 n LYS 52 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1je3 n LYS 53 N 0.00 1.47 0.00 1.97 4.01 -1.26 -4.67 118.16 119.69 1je3 n LYS 53 Ca 0.00 -0.68 0.00 0.00 -0.51 0.00 0.00 58.31 57.12 1je3 n LYS 53 Cb 0.00 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.12 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1je3 n GLY 54 N 0.14 1.02 3.68 0.72 0.00 -1.26 -5.06 105.19 104.43 1je3 n GLY 54 Ca 0.11 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 1je3 n GLY 54 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1je3 n GLU 55 N 0.00 -2.24 -3.29 1.61 0.28 -1.26 -4.62 120.64 111.12 1je3 n GLU 55 Ca 0.00 -1.90 -0.07 0.00 -0.16 0.00 0.00 57.16 55.02 1je3 n GLU 55 Cb 0.00 -1.51 0.02 0.00 1.43 0.00 0.00 31.44 31.39 1je3 n GLU 55 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1je3 n ILE 56 N -4.36 0.00 -3.49 3.84 -5.35 -1.26 0.03 119.36 108.77 1je3 n ILE 56 Ca 0.16 -0.82 -0.14 0.00 -0.27 0.00 0.00 62.75 61.68 1je3 n ILE 56 Cb 0.58 0.82 -0.04 0.00 -1.74 0.00 0.00 39.64 39.26 1je3 n ILE 56 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1je3 s LEU 57 N 0.00 -0.43 -0.28 7.28 2.96 0.59 -0.87 118.68 127.93 1je3 s LEU 57 Ca 0.13 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 1je3 s LEU 57 Cb -0.04 2.44 0.14 0.00 0.50 0.00 0.00 46.19 49.23 1je3 s LEU 57 CO 0.10 -0.81 0.34 -1.61 -1.32 0.00 0.00 176.35 173.05 1je3 s GLU 58 N -2.74 0.35 -0.09 1.98 2.02 0.48 -3.15 118.70 117.55 1je3 s GLU 58 Ca -0.04 0.02 0.04 0.00 0.02 0.00 0.00 54.97 55.01 1je3 s GLU 58 Cb -0.01 -0.55 -0.00 0.00 0.10 0.00 0.00 34.13 33.67 1je3 s GLU 58 CO -0.04 -0.99 -0.23 0.54 0.02 0.00 0.00 175.26 174.56 1je3 s VAL 59 N 2.43 2.17 -0.18 2.63 0.11 -0.41 -1.70 120.40 125.46 1je3 s VAL 59 Ca 0.10 -0.99 -0.02 0.00 -2.93 0.00 0.00 61.98 58.14 1je3 s VAL 59 Cb -0.14 -1.83 0.05 0.00 -1.53 0.00 0.00 36.38 32.94 1je3 s VAL 59 CO -0.30 0.56 0.00 -0.69 -3.33 0.00 0.00 175.10 171.35 1je3 s VAL 60 N 0.19 0.75 0.31 2.04 1.01 0.86 -0.24 120.40 125.33 1je3 s VAL 60 Ca -0.14 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1je3 s VAL 60 Cb -0.17 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1je3 s VAL 60 CO 0.07 -0.09 0.33 -0.94 0.00 0.00 0.00 175.10 174.47 1je3 s SER 61 N 1.77 1.16 -0.11 3.32 1.04 -0.67 -1.53 113.70 118.68 1je3 s SER 61 Ca -0.01 -1.59 0.03 0.00 0.48 0.00 0.00 55.95 54.86 1je3 s SER 61 Cb -0.17 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1je3 s SER 61 CO -0.07 -1.11 -0.20 1.51 0.98 0.00 0.00 173.24 174.34 1je3 s ASP 62 N -3.29 3.42 -0.27 7.02 -4.77 -1.16 -1.90 116.67 115.71 1je3 s ASP 62 Ca 0.37 -0.47 -0.15 0.00 -3.30 0.00 0.00 52.55 48.99 1je3 s ASP 62 Cb 0.02 -1.43 0.08 0.00 -1.09 0.00 0.00 42.92 40.50 1je3 s ASP 62 CO 0.23 0.17 0.67 0.00 0.70 0.00 0.00 175.17 176.93 1je3 h PRO 64 N 7.03 0.00 -6.16 0.00 0.13 -1.98 -3.45 132.00 127.57 1je3 h PRO 64 Ca -0.30 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 1je3 h PRO 64 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1je3 h PRO 64 CO 0.17 0.00 -0.40 -0.65 -0.23 0.00 0.00 178.00 176.89 1je3 s GLN 65 N -3.39 3.46 0.11 0.86 -1.52 -1.26 -5.02 119.66 112.91 1je3 s GLN 65 Ca 0.05 -0.55 -0.13 0.00 -1.95 0.00 0.00 55.36 52.78 1je3 s GLN 65 Cb 0.09 -2.89 -0.11 0.00 -0.22 0.00 0.00 33.01 29.88 1je3 s GLN 65 CO 0.54 0.44 1.38 0.66 -0.25 0.00 0.00 175.29 178.06 1je3 h SER 66 N 1.77 0.94 -2.40 5.90 4.64 -2.05 -3.42 113.55 118.92 1je3 h SER 66 Ca -0.49 -0.55 -0.57 0.00 -0.47 0.00 0.00 61.79 59.70 1je3 h SER 66 Cb 1.20 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1je3 h SER 66 CO 0.66 1.32 1.36 -0.63 -0.87 0.00 0.00 176.83 178.66 1je3 s ILE 67 N -4.05 3.32 0.34 0.95 1.09 -1.26 -4.97 121.20 116.61 1je3 s ILE 67 Ca -0.11 0.32 0.07 0.00 -1.10 0.00 0.00 60.65 59.83 1je3 s ILE 67 Cb 0.09 -3.45 -0.02 0.00 -1.06 0.00 0.00 42.46 38.02 1je3 s ILE 67 CO 0.89 -0.31 0.40 0.20 -0.10 0.00 0.00 174.94 176.02 1je3 s ASN 68 N 7.05 5.71 0.00 3.58 0.01 -1.26 -5.06 114.94 124.97 1je3 s ASN 68 Ca 0.86 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.70 1je3 s ASN 68 Cb -0.25 -1.13 0.00 0.00 0.41 0.00 0.00 41.25 40.28 1je3 s ASN 68 CO 0.33 -0.40 0.24 -3.20 -1.51 0.00 0.00 177.10 172.56 1je3 n ASN 69 N -1.54 0.00 -0.24 -1.22 2.85 -1.26 -3.22 115.26 110.63 1je3 n ASN 69 Ca -0.01 0.38 -0.03 0.00 -0.11 0.00 0.00 54.58 54.81 1je3 n ASN 69 Cb 0.59 -0.21 0.03 0.00 1.24 0.00 0.00 39.78 41.43 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1je3 h ILE 70 N 0.00 0.16 -0.81 -1.44 1.08 -1.95 -1.42 117.51 113.13 1je3 h ILE 70 Ca 0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1je3 h ILE 70 Cb 0.00 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 1je3 h ILE 70 CO 0.00 0.00 0.40 1.55 -0.69 0.00 0.00 178.15 179.41 1je3 h PRO 71 N -0.11 1.16 0.00 2.37 0.13 -2.00 -2.16 132.00 131.39 1je3 h PRO 71 Ca 0.27 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 1je3 h PRO 71 Cb 0.56 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 1je3 h PRO 71 CO -0.74 0.89 -0.06 1.25 -0.23 0.00 0.00 178.00 179.11 1je3 h LEU 72 N 1.15 0.00 0.42 1.56 5.85 -1.25 -2.05 115.31 120.99 1je3 h LEU 72 Ca 0.28 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1je3 h LEU 72 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1je3 h LEU 72 CO -0.04 0.06 -0.20 0.44 -0.34 0.00 0.00 178.44 178.36 1je3 h ASP 73 N 0.00 -0.48 -0.88 1.25 5.19 -0.78 -1.37 116.42 119.35 1je3 h ASP 73 Ca -0.00 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1je3 h ASP 73 Cb 0.32 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.91 1je3 h ASP 73 CO 0.01 -0.05 0.58 0.00 -3.12 0.00 0.00 179.24 176.66 1je3 h ALA 74 N -0.91 1.12 -0.13 3.45 0.00 -1.52 -1.75 119.26 119.53 1je3 h ALA 74 Ca -0.06 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1je3 h ALA 74 Cb 0.52 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1je3 h ALA 74 CO 0.10 0.53 -0.09 -0.09 0.00 0.00 0.00 179.25 179.70 1je3 h ARG 75 N 1.20 0.19 0.25 0.00 2.43 -1.44 0.51 114.38 117.53 1je3 h ARG 75 Ca 0.32 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1je3 h ARG 75 Cb -0.13 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1je3 h ARG 75 CO -0.07 0.29 -0.16 -0.97 -1.51 0.00 0.00 179.97 177.55 1je3 h ASN 76 N 0.19 -0.42 0.23 -3.80 -0.73 -0.30 -3.36 115.58 107.38 1je3 h ASN 76 Ca 0.04 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 1je3 h ASN 76 Cb 0.28 0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1je3 h ASN 76 CO 0.01 -0.25 -0.11 0.45 -0.37 0.00 0.00 177.43 177.17 1je3 h HIS 77 N -0.39 -0.29 0.00 0.67 3.86 -1.54 -3.49 115.15 113.97 1je3 h HIS 77 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1je3 h HIS 77 Cb 0.32 0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1je3 h HIS 77 CO 0.01 -0.18 0.00 0.41 0.86 0.00 0.00 177.93 179.03 1je3 n GLY 78 N 0.60 0.86 0.00 2.45 0.00 0.11 -5.13 105.19 104.08 1je3 n GLY 78 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1je3 n GLY 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1je3 n TYR 79 N 0.00 -1.12 -0.01 1.61 0.18 -0.81 -4.95 117.16 112.06 1je3 n TYR 79 Ca 0.00 0.00 -0.05 0.00 1.88 0.00 0.00 57.90 59.73 1je3 n TYR 79 Cb 0.00 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 38.94 1je3 n TYR 79 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1je3 n THR 80 N -0.47 0.80 -3.63 -3.48 -1.04 -1.26 -5.02 114.28 100.18 1je3 n THR 80 Ca 0.00 0.11 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 1je3 n THR 80 Cb 0.00 -1.68 -0.17 0.00 -1.82 0.00 0.00 70.33 66.66 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 -2.17 -0.11 -0.31 12.58 1.01 -0.76 -5.01 120.40 125.63 1je3 s VAL 81 Ca -0.08 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1je3 s VAL 81 Cb 0.02 -0.40 0.09 0.00 0.00 0.00 0.00 36.38 36.09 1je3 s VAL 81 CO 0.11 -0.09 0.02 -0.76 0.00 0.00 0.00 175.10 174.39 1je3 s LEU 82 N 2.16 3.79 0.13 3.92 2.01 -1.26 -1.63 118.68 127.79 1je3 s LEU 82 Ca 0.03 -1.81 0.09 0.00 0.01 0.00 0.00 54.13 52.45 1je3 s LEU 82 Cb -0.14 -1.41 -0.04 0.00 0.01 0.00 0.00 46.19 44.61 1je3 s LEU 82 CO -0.07 -0.34 -0.21 -1.81 1.01 0.00 0.00 176.35 174.93 1je3 s ASP 83 N 1.14 2.74 0.17 2.29 1.01 -0.71 -5.04 116.67 118.27 1je3 s ASP 83 Ca 0.06 -0.75 0.01 0.00 0.71 0.00 0.00 52.55 52.58 1je3 s ASP 83 Cb -0.19 -0.16 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 1je3 s ASP 83 CO -0.11 0.06 0.02 0.27 0.21 0.00 0.00 175.17 175.63 1je3 s ILE 84 N -1.39 0.52 0.13 0.77 -4.36 -1.26 -0.99 121.20 114.62 1je3 s ILE 84 Ca 0.11 -1.96 -0.17 0.00 -0.26 0.00 0.00 60.65 58.36 1je3 s ILE 84 Cb -0.09 -2.15 0.04 0.00 1.25 0.00 0.00 42.46 41.52 1je3 s ILE 84 CO 0.05 -0.43 0.43 -1.58 0.24 0.00 0.00 174.94 173.65 1je3 s GLN 85 N -3.96 1.09 0.15 0.37 0.74 0.08 -4.99 119.66 113.16 1je3 s GLN 85 Ca 0.25 -0.66 0.08 0.00 0.05 0.00 0.00 55.36 55.09 1je3 s GLN 85 Cb 0.07 0.48 -0.04 0.00 1.10 0.00 0.00 33.01 34.62 1je3 s GLN 85 CO 0.04 -0.43 -0.18 -1.14 -0.55 0.00 0.00 175.29 173.03 1je3 s GLN 86 N -3.73 1.22 0.00 1.67 0.74 -1.26 -1.39 119.66 116.91 1je3 s GLN 86 Ca 0.02 -1.36 0.00 0.00 0.05 0.00 0.00 55.36 54.07 1je3 s GLN 86 Cb 0.01 -1.27 0.00 0.00 1.10 0.00 0.00 33.01 32.85 1je3 s GLN 86 CO -0.12 0.26 0.00 -0.25 -0.55 0.00 0.00 175.29 174.63 1je3 n ASP 87 N 0.40 0.00 0.00 6.67 8.00 -1.21 -4.97 116.55 125.44 1je3 n ASP 87 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1je3 n ASP 87 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1je3 n GLY 88 N 4.22 1.79 0.21 0.44 0.00 -1.26 -4.92 105.19 105.67 1je3 n GLY 88 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 1.15 -4.27 1.61 -0.04 -1.26 -4.84 135.00 127.36 1je3 n PRO 89 Ca 0.00 -0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.08 1je3 n PRO 89 Cb 0.00 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.74 0.00 -0.06 0.52 -4.23 -1.26 -4.86 115.64 104.02 1je3 s THR 90 Ca 0.03 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.49 1je3 s THR 90 Cb 0.02 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.36 1je3 s THR 90 CO 0.02 0.00 0.23 -0.51 -0.54 0.00 0.00 174.62 173.82 1je3 s ILE 91 N -3.38 0.03 -0.02 2.99 2.07 -0.80 -3.30 121.20 118.79 1je3 s ILE 91 Ca 0.40 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.41 1je3 s ILE 91 Cb 0.02 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.19 1je3 s ILE 91 CO 0.27 -0.14 -0.10 -0.60 -1.91 0.00 0.00 174.94 172.47 1je3 s ARG 92 N -0.51 0.99 0.25 3.50 3.52 -0.49 -1.67 118.95 124.54 1je3 s ARG 92 Ca -0.06 -0.33 0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1je3 s ARG 92 Cb -0.04 -0.92 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 1je3 s ARG 92 CO 0.01 0.14 -0.18 0.71 -0.81 0.00 0.00 175.30 175.18 1je3 s TYR 93 N 0.12 2.03 -0.08 5.12 2.02 0.67 -0.74 117.35 126.50 1je3 s TYR 93 Ca -0.02 -0.44 -0.21 0.00 -0.37 0.00 0.00 57.07 56.04 1je3 s TYR 93 Cb -0.08 -0.90 0.05 0.00 -0.40 0.00 0.00 41.96 40.62 1je3 s TYR 93 CO 0.00 0.56 0.48 -0.48 -1.57 0.00 0.00 175.55 174.54 1je3 s LEU 94 N -3.41 0.16 0.15 -1.29 2.34 -0.16 -1.29 118.68 115.18 1je3 s LEU 94 Ca 0.27 0.57 0.04 0.00 0.06 0.00 0.00 54.13 55.06 1je3 s LEU 94 Cb -0.03 1.79 -0.04 0.00 -0.56 0.00 0.00 46.19 47.35 1je3 s LEU 94 CO 0.11 -0.41 -0.09 0.27 -1.06 0.00 0.00 176.35 175.18 1je3 s ILE 95 N -0.79 1.10 0.07 1.48 -5.25 -1.19 -1.73 121.20 114.90 1je3 s ILE 95 Ca -0.09 -2.05 -0.18 0.00 -0.99 0.00 0.00 60.65 57.35 1je3 s ILE 95 Cb -0.03 -1.89 0.04 0.00 2.95 0.00 0.00 42.46 43.53 1je3 s ILE 95 CO 0.05 -0.71 0.43 0.00 -1.79 0.00 0.00 174.94 172.92 1je3 s GLN 96 N -3.77 0.99 0.00 0.37 -2.07 -0.65 -0.30 119.66 114.24 1je3 s GLN 96 Ca 0.18 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.26 1je3 s GLN 96 Cb 0.03 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.39 1je3 s GLN 96 CO 0.01 -0.36 0.41 1.17 -1.32 0.00 0.00 175.29 175.20