#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 3.08 4.04 -5.12 0.00 -1.26 -5.17 105.19 100.76 1je3 n GLY 2 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1je3 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1je3 s SER 3 N 1.00 5.09 0.00 1.61 0.01 -1.26 -5.10 113.70 115.05 1je3 s SER 3 Ca 0.00 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1je3 s SER 3 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1je3 s SER 3 CO 0.00 -1.35 0.00 -1.20 0.41 0.00 0.00 173.24 171.10 1je3 n SER 4 N -2.25 0.00 -0.02 2.44 7.64 -1.26 -5.02 113.62 115.14 1je3 n SER 4 Ca 0.16 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.98 1je3 n SER 4 Cb 0.62 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1je3 n SER 4 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1je3 n HIS 5 N -1.77 0.00 -2.41 1.43 -0.00 -1.26 -5.04 115.22 106.16 1je3 n HIS 5 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1je3 n HIS 5 Cb 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.99 29.75 1je3 n HIS 5 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1je3 s HIS 6 N -2.16 3.00 -0.11 1.57 0.00 -1.26 -5.05 115.29 111.27 1je3 s HIS 6 Ca -0.09 1.56 0.00 0.00 -3.00 0.00 0.00 55.06 53.52 1je3 s HIS 6 Cb 0.03 -3.05 -0.02 0.00 -4.00 0.00 0.00 32.58 25.54 1je3 s HIS 6 CO 0.12 -0.91 -0.10 -3.38 -1.00 0.00 0.00 174.74 169.47 1je3 s HIS 7 N -2.10 2.86 -2.00 0.38 -0.00 -1.26 -4.88 115.29 108.29 1je3 s HIS 7 Ca 0.66 -0.35 0.22 0.00 -0.00 0.00 0.00 55.06 55.59 1je3 s HIS 7 Cb -0.16 -1.80 0.00 0.00 -0.00 0.00 0.00 32.58 30.62 1je3 s HIS 7 CO 0.24 0.01 1.06 -2.39 -0.00 0.00 0.00 174.74 173.66 1je3 n HIS 8 N 3.04 0.00 -1.76 0.38 -0.00 -1.26 -4.97 115.22 110.66 1je3 n HIS 8 Ca -0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.12 1je3 n HIS 8 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 1je3 n HIS 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1je3 s HIS 9 N -2.36 2.83 0.34 -1.40 5.65 -1.26 -4.99 115.29 114.10 1je3 s HIS 9 Ca 0.18 0.34 0.02 0.00 0.25 0.00 0.00 55.06 55.85 1je3 s HIS 9 Cb 0.17 -4.12 -0.01 0.00 -1.18 0.00 0.00 32.58 27.45 1je3 s HIS 9 CO 0.53 -4.26 0.08 -2.39 -0.65 0.00 0.00 174.74 168.05 1je3 n HIS 10 N 4.20 0.36 -4.40 3.88 -0.00 -1.26 -5.18 115.22 112.82 1je3 n HIS 10 Ca 0.16 -1.99 -0.20 0.00 -0.00 0.00 0.00 57.72 55.69 1je3 n HIS 10 Cb 0.36 -0.08 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 1je3 n HIS 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1je3 s SER 11 N -3.00 2.43 0.00 4.39 1.04 -1.26 -5.11 113.70 112.19 1je3 s SER 11 Ca 0.11 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.32 1je3 s SER 11 Cb 0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1je3 s SER 11 CO 0.08 -0.43 0.00 -0.24 0.98 0.00 0.00 173.24 173.63 1je3 n SER 12 N -0.54 0.00 0.00 7.02 2.88 -1.26 -5.11 113.62 116.60 1je3 n SER 12 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1je3 n SER 12 Cb 0.64 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1je3 n SER 12 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1je3 n GLY 13 N 3.68 0.44 3.12 0.46 0.00 -1.26 -5.00 105.19 106.62 1je3 n GLY 13 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1je3 n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1je3 s LEU 14 N 0.00 5.51 0.11 0.99 2.96 -1.26 -5.05 118.68 121.94 1je3 s LEU 14 Ca 0.00 -3.39 0.05 0.00 -0.22 0.00 0.00 54.13 50.57 1je3 s LEU 14 Cb 0.00 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1je3 s LEU 14 CO 0.00 -0.26 -0.14 0.68 -1.32 0.00 0.00 176.35 175.31 1je3 s VAL 15 N -0.86 1.22 0.00 1.68 -7.23 -1.26 -4.65 120.40 109.30 1je3 s VAL 15 Ca 0.24 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 1je3 s VAL 15 Cb -0.12 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.43 1je3 s VAL 15 CO -0.09 -0.39 0.00 -0.81 -0.31 0.00 0.00 175.10 173.50 1je3 n PRO 16 N 0.73 0.90 -3.99 4.82 -0.04 -1.26 -5.03 135.00 131.13 1je3 n PRO 16 Ca -0.17 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1je3 n PRO 16 Cb 0.56 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.86 1je3 n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1je3 s ARG 17 N -0.50 2.05 -0.17 0.54 0.52 -1.26 -4.99 118.95 115.14 1je3 s ARG 17 Ca 0.00 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.54 1je3 s ARG 17 Cb 0.00 -2.30 0.50 0.00 0.52 0.00 0.00 34.95 33.67 1je3 s ARG 17 CO 0.00 -0.38 1.33 0.41 0.02 0.00 0.00 175.30 176.68 1je3 n GLY 18 N 4.72 2.62 3.82 -3.53 0.00 -1.26 -4.94 105.19 106.62 1je3 n GLY 18 Ca -0.15 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1je3 n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1je3 s SER 19 N -0.47 6.59 0.00 1.61 0.01 -1.26 -4.96 113.70 115.21 1je3 s SER 19 Ca 0.34 1.72 0.26 0.00 1.31 0.00 0.00 55.95 59.58 1je3 s SER 19 Cb 0.27 -2.53 0.60 0.00 0.21 0.00 0.00 66.02 64.56 1je3 s SER 19 CO 0.09 -0.61 1.49 1.57 0.41 0.00 0.00 173.24 176.20 1je3 n HIS 20 N -1.14 0.00 -4.04 2.43 -0.00 -1.26 -4.91 115.22 106.30 1je3 n HIS 20 Ca 0.08 -0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.15 1je3 n HIS 20 Cb 0.54 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 30.30 1je3 n HIS 20 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1je3 s MET 21 N -2.00 0.46 0.47 1.57 -1.94 -1.26 -5.17 119.30 111.43 1je3 s MET 21 Ca 0.33 -0.76 0.05 0.00 -1.71 0.00 0.00 55.69 53.59 1je3 s MET 21 Cb 0.20 -0.07 -0.02 0.00 2.01 0.00 0.00 34.83 36.95 1je3 s MET 21 CO 0.32 -0.01 0.15 0.15 -0.01 0.00 0.00 175.02 175.62 1je3 s LYS 22 N -1.84 2.19 -0.67 2.03 1.02 -1.26 -5.07 119.74 116.13 1je3 s LYS 22 Ca -0.10 -2.09 -0.27 0.00 0.02 0.00 0.00 55.97 53.53 1je3 s LYS 22 Cb -0.08 -1.83 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 1je3 s LYS 22 CO -0.01 -0.30 1.21 -0.80 -0.92 0.00 0.00 175.35 174.53 1je3 s ASN 23 N -3.96 6.26 0.00 2.83 -0.87 -1.26 -4.88 114.94 113.06 1je3 s ASN 23 Ca 0.28 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 1je3 s ASN 23 Cb 0.03 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.72 1je3 s ASN 23 CO 0.16 -1.66 0.00 -0.38 -2.57 0.00 0.00 177.10 172.64 1je3 n ILE 24 N 6.43 0.00 -0.11 0.60 -0.00 -1.26 -4.85 119.36 120.16 1je3 n ILE 24 Ca 0.04 0.39 -0.21 0.00 -0.00 0.00 0.00 62.75 62.97 1je3 n ILE 24 Cb 0.49 -1.27 -0.09 0.00 -0.00 0.00 0.00 39.64 38.76 1je3 n ILE 24 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1je3 n VAL 25 N -1.95 1.52 -1.54 1.39 0.31 -1.25 -4.55 118.33 112.26 1je3 n VAL 25 Ca 0.00 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 64.01 1je3 n VAL 25 Cb 0.00 -2.06 -0.10 0.00 -0.91 0.00 0.00 33.84 30.77 1je3 n VAL 25 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1je3 n PRO 26 N -4.41 0.52 0.00 5.55 -0.02 -1.26 0.89 135.00 136.27 1je3 n PRO 26 Ca -0.34 -0.40 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 1je3 n PRO 26 Cb 0.68 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1je3 n PRO 26 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1je3 n ASP 27 N 14.84 0.00 -4.22 2.55 2.03 0.16 -4.85 116.55 127.06 1je3 n ASP 27 Ca 0.50 0.33 -0.13 0.00 0.52 0.00 0.00 54.79 56.02 1je3 n ASP 27 Cb 0.37 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.52 1je3 n ASP 27 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1je3 s TYR 28 N -0.76 1.11 -0.05 -0.67 2.02 -1.17 -5.02 117.35 112.80 1je3 s TYR 28 Ca 0.00 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1je3 s TYR 28 Cb 0.00 -0.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.96 1je3 s TYR 28 CO 0.00 -0.14 -0.03 -0.98 -1.57 0.00 0.00 175.55 172.84 1je3 s ARG 29 N -3.86 0.69 -0.72 -0.62 1.70 -1.26 -2.12 118.95 112.77 1je3 s ARG 29 Ca 0.18 -0.03 0.03 0.00 -0.47 0.00 0.00 55.73 55.44 1je3 s ARG 29 Cb 0.05 -0.81 0.17 0.00 -0.57 0.00 0.00 34.95 33.80 1je3 s ARG 29 CO 0.00 -0.14 0.52 -1.17 -1.08 0.00 0.00 175.30 173.43 1je3 s LEU 30 N 1.17 4.94 -0.99 -1.89 1.98 0.11 -4.96 118.68 119.04 1je3 s LEU 30 Ca -0.07 -3.67 -0.02 0.00 -2.89 0.00 0.00 54.13 47.49 1je3 s LEU 30 Cb -0.14 -1.71 0.31 0.00 0.66 0.00 0.00 46.19 45.31 1je3 s LEU 30 CO -0.01 -0.14 1.45 -0.90 -1.89 0.00 0.00 176.35 174.86 1je3 n ASP 31 N 2.28 6.24 0.00 3.68 5.68 -1.26 -0.18 116.55 132.99 1je3 n ASP 31 Ca 0.17 -3.50 0.00 0.00 -0.50 0.00 0.00 54.79 50.96 1je3 n ASP 31 Cb 0.35 -1.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.20 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1je3 n MET 32 N 0.83 0.00 -4.08 0.11 2.81 0.39 -4.81 117.12 112.37 1je3 n MET 32 Ca 0.32 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 56.07 1je3 n MET 32 Cb 0.33 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 1.99 0.63 -0.94 2.03 1.01 -1.26 -2.91 120.40 120.95 1je3 s VAL 33 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.77 1je3 s VAL 33 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1je3 s VAL 33 CO 0.00 -0.38 2.94 0.61 0.00 0.00 0.00 175.10 178.27 1je3 n GLY 34 N 1.38 4.22 3.30 4.51 0.00 -1.21 -4.83 105.19 112.57 1je3 n GLY 34 Ca -0.22 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1je3 n GLY 34 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1je3 s GLU 35 N 0.30 3.30 -1.16 1.61 2.12 -1.26 -4.77 118.70 118.84 1je3 s GLU 35 Ca 0.63 -0.70 -0.22 0.00 0.36 0.00 0.00 54.97 55.05 1je3 s GLU 35 Cb 0.25 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.89 1je3 s GLU 35 CO -0.09 0.00 1.83 -1.25 -0.54 0.00 0.00 175.26 175.22 1je3 s PRO 36 N 0.89 3.05 0.16 4.30 0.04 -1.26 -4.30 135.00 137.87 1je3 s PRO 36 Ca -0.03 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.74 1je3 s PRO 36 Cb -0.15 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1je3 s PRO 36 CO -0.00 -3.21 0.00 0.00 0.04 0.00 0.00 177.00 173.82 1je3 n PRO 38 N -3.02 3.52 -3.50 0.00 -0.04 -1.26 -5.02 135.00 125.68 1je3 n PRO 38 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1je3 n PRO 38 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1je3 n PRO 38 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1je3 n TYR 39 N 0.00 3.59 0.00 0.54 0.18 -1.26 -4.98 117.16 115.23 1je3 n TYR 39 Ca 0.00 -4.16 0.00 0.00 1.88 0.00 0.00 57.90 55.62 1je3 n TYR 39 Cb 0.00 -0.59 0.00 0.00 -0.38 0.00 0.00 39.34 38.37 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 1.05 0.00 0.00 -3.48 -0.04 -1.26 -4.48 135.00 126.78 1je3 n PRO 40 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 1je3 n PRO 40 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.88 -0.36 0.55 0.00 -1.26 -2.57 120.51 114.74 1je3 n ALA 41 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 1je3 n ALA 41 Cb 0.00 -0.82 0.62 0.00 0.00 0.00 0.00 19.45 19.25 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 0.38 -0.17 0.00 2.07 -1.94 0.52 116.25 117.10 1je3 h VAL 42 Ca 0.00 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.24 1je3 h VAL 42 Cb 0.16 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1je3 h VAL 42 CO 0.00 0.04 -0.73 0.00 0.02 0.00 0.00 177.57 176.89 1je3 h ALA 43 N 1.53 0.32 -0.35 1.67 0.00 -1.78 -3.05 119.26 117.60 1je3 h ALA 43 Ca 0.65 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1je3 h ALA 43 Cb 2.05 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.75 1je3 h ALA 43 CO -0.23 0.67 -0.11 1.15 0.00 0.00 0.00 179.25 180.73 1je3 h THR 44 N 0.55 0.60 0.42 0.00 2.02 -0.19 0.16 112.91 116.47 1je3 h THR 44 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1je3 h THR 44 Cb 1.36 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1je3 h THR 44 CO 0.15 0.00 -0.20 0.25 0.37 0.00 0.00 175.52 176.09 1je3 h LEU 45 N -0.04 -0.47 -2.72 2.58 5.85 -1.54 -2.67 115.31 116.30 1je3 h LEU 45 Ca 0.17 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1je3 h LEU 45 Cb 0.29 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1je3 h LEU 45 CO -0.38 -0.16 0.02 -0.33 -0.34 0.00 0.00 178.44 177.25 1je3 h GLU 46 N -0.80 0.00 -0.09 1.25 5.08 -1.41 -0.21 114.58 118.40 1je3 h GLU 46 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1je3 h GLU 46 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1je3 h GLU 46 CO 0.09 0.00 -0.64 0.00 -1.00 0.00 0.00 179.01 177.46 1je3 h ALA 47 N 1.95 0.73 -0.28 3.43 0.00 -0.33 -3.14 119.26 121.61 1je3 h ALA 47 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.41 1je3 h ALA 47 Cb 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1je3 h ALA 47 CO 0.00 0.74 -0.37 0.52 0.00 0.00 0.00 179.25 180.14 1je3 h MET 48 N 0.25 -0.34 -0.55 0.00 2.86 -0.87 -0.18 114.93 116.11 1je3 h MET 48 Ca -0.01 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1je3 h MET 48 Cb 1.18 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1je3 h MET 48 CO 0.11 -0.23 0.09 -1.35 1.06 0.00 0.00 176.91 176.59 1je3 h PRO 49 N -0.36 0.87 0.00 -0.22 0.11 -1.71 -1.82 132.00 128.88 1je3 h PRO 49 Ca 0.13 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1je3 h PRO 49 Cb 0.57 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1je3 h PRO 49 CO -0.48 0.81 0.00 1.04 -0.21 0.00 0.00 178.00 179.16 1je3 n GLN 50 N -4.25 0.65 -1.35 1.05 1.13 -0.44 -4.90 117.38 109.27 1je3 n GLN 50 Ca 0.04 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.67 1je3 n GLN 50 Cb 0.26 -1.19 -0.00 0.00 0.11 0.00 0.00 30.24 29.41 1je3 n GLN 50 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1je3 n LEU 51 N -0.69 -1.98 0.00 1.08 0.00 -0.21 -4.99 117.00 110.21 1je3 n LEU 51 Ca 0.06 0.88 0.00 0.00 0.00 0.00 0.00 56.01 56.95 1je3 n LEU 51 Cb 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 43.42 42.50 1je3 n LEU 51 CO 0.04 -3.71 0.00 0.29 0.00 0.00 0.00 177.39 174.01 1je3 n LYS 52 N 1.12 0.00 -0.39 1.96 5.02 -1.26 -5.02 118.16 119.59 1je3 n LYS 52 Ca 0.12 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.40 1je3 n LYS 52 Cb 0.37 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.51 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 2.12 0.00 1.97 5.02 -1.26 -4.61 118.16 121.40 1je3 n LYS 53 Ca 0.00 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.11 1je3 n LYS 53 Cb 0.00 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1je3 n GLY 54 N 0.11 -1.17 3.23 0.72 0.00 -1.26 -5.05 105.19 101.76 1je3 n GLY 54 Ca 0.15 0.95 -0.17 0.00 0.00 0.00 0.00 46.02 46.96 1je3 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1je3 s GLU 55 N 0.00 0.98 0.12 1.61 2.56 -1.26 -3.86 118.70 118.86 1je3 s GLU 55 Ca 0.00 -1.24 -0.24 0.00 0.00 0.00 0.00 54.97 53.49 1je3 s GLU 55 Cb 0.00 -0.77 0.07 0.00 2.00 0.00 0.00 34.13 35.42 1je3 s GLU 55 CO 0.00 0.14 0.60 0.42 -0.56 0.00 0.00 175.26 175.86 1je3 s ILE 56 N -2.35 0.00 0.07 -3.70 1.01 0.26 -0.12 121.20 116.37 1je3 s ILE 56 Ca 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1je3 s ILE 56 Cb -0.04 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1je3 s ILE 56 CO 0.02 -0.02 0.15 -0.22 0.00 0.00 0.00 174.94 174.87 1je3 s LEU 57 N -2.48 1.62 -0.10 2.97 2.96 1.00 0.39 118.68 125.03 1je3 s LEU 57 Ca -0.01 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 1je3 s LEU 57 Cb -0.01 0.85 0.05 0.00 0.50 0.00 0.00 46.19 47.58 1je3 s LEU 57 CO -0.09 -0.66 0.15 -1.61 -1.32 0.00 0.00 176.35 172.82 1je3 s GLU 58 N -3.52 0.04 -0.23 1.98 2.02 -0.90 -3.07 118.70 115.03 1je3 s GLU 58 Ca 0.02 0.42 0.01 0.00 0.02 0.00 0.00 54.97 55.45 1je3 s GLU 58 Cb 0.04 -0.59 0.03 0.00 0.10 0.00 0.00 34.13 33.71 1je3 s GLU 58 CO -0.09 -0.39 -0.13 0.08 0.02 0.00 0.00 175.26 174.75 1je3 s VAL 59 N 2.26 2.36 -0.55 2.63 1.01 0.20 0.09 120.40 128.40 1je3 s VAL 59 Ca 0.04 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.86 1je3 s VAL 59 Cb -0.13 -2.19 0.14 0.00 0.00 0.00 0.00 36.38 34.20 1je3 s VAL 59 CO -0.07 0.25 0.31 -0.69 0.00 0.00 0.00 175.10 174.90 1je3 s VAL 60 N 1.24 2.72 0.32 2.92 1.01 0.75 -0.42 120.40 128.93 1je3 s VAL 60 Ca -0.01 -3.43 0.03 0.00 0.00 0.00 0.00 61.98 58.57 1je3 s VAL 60 Cb -0.16 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 1je3 s VAL 60 CO -0.08 -0.83 0.07 -0.94 0.00 0.00 0.00 175.10 173.32 1je3 s SER 61 N -0.38 2.13 -0.18 3.32 1.04 -1.01 -0.46 113.70 118.17 1je3 s SER 61 Ca 0.18 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.21 1je3 s SER 61 Cb -0.23 0.02 0.01 0.00 0.10 0.00 0.00 66.02 65.92 1je3 s SER 61 CO -0.02 -0.66 -0.16 1.51 0.98 0.00 0.00 173.24 174.88 1je3 s ASP 62 N -3.46 3.48 -0.04 7.02 -4.77 -1.14 -2.39 116.67 115.37 1je3 s ASP 62 Ca 0.36 -0.55 -0.20 0.00 -3.30 0.00 0.00 52.55 48.85 1je3 s ASP 62 Cb 0.08 -1.55 0.04 0.00 -1.09 0.00 0.00 42.92 40.41 1je3 s ASP 62 CO 0.15 0.03 0.44 0.00 0.70 0.00 0.00 175.17 176.49 1je3 h PRO 64 N 3.67 0.61 -7.21 0.00 0.13 -1.96 -3.45 132.00 123.78 1je3 h PRO 64 Ca -0.29 -0.42 -0.50 0.00 -0.87 0.00 0.00 66.00 63.92 1je3 h PRO 64 Cb 1.16 0.06 0.09 0.00 0.13 0.00 0.00 31.00 32.45 1je3 h PRO 64 CO 0.39 1.04 0.37 -0.65 -0.23 0.00 0.00 178.00 178.92 1je3 s GLN 65 N -3.95 2.97 0.02 0.86 1.11 -1.26 -5.00 119.66 114.41 1je3 s GLN 65 Ca -0.12 1.30 -0.19 0.00 0.01 0.00 0.00 55.36 56.36 1je3 s GLN 65 Cb 0.07 -1.98 -0.10 0.00 -1.01 0.00 0.00 33.01 29.99 1je3 s GLN 65 CO 0.83 -1.10 1.06 1.03 0.01 0.00 0.00 175.29 177.12 1je3 h SER 66 N 0.11 -0.57 -3.87 5.90 0.87 -2.06 -3.43 113.55 110.50 1je3 h SER 66 Ca -0.47 0.02 -0.49 0.00 -1.23 0.00 0.00 61.79 59.63 1je3 h SER 66 Cb 1.24 0.15 0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1je3 h SER 66 CO 0.55 -0.34 0.41 -0.63 -0.53 0.00 0.00 176.83 176.30 1je3 s ILE 67 N -4.11 3.77 0.35 2.23 1.01 -1.26 -5.06 121.20 118.13 1je3 s ILE 67 Ca -0.10 1.57 0.03 0.00 0.00 0.00 0.00 60.65 62.15 1je3 s ILE 67 Cb 0.01 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.60 1je3 s ILE 67 CO 0.30 0.21 0.25 -3.20 0.00 0.00 0.00 174.94 172.49 1je3 n ASN 68 N 0.65 2.16 0.03 3.58 5.15 -1.26 -4.99 115.26 120.59 1je3 n ASN 68 Ca 0.02 -2.22 -0.10 0.00 -0.60 0.00 0.00 54.58 51.67 1je3 n ASN 68 Cb 0.48 -0.01 0.04 0.00 -0.53 0.00 0.00 39.78 39.75 1je3 n ASN 68 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 1je3 h ASN 69 N 0.44 0.55 0.04 1.20 2.35 -1.97 -2.52 115.58 115.68 1je3 h ASN 69 Ca -0.23 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.19 1je3 h ASN 69 Cb 0.81 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.02 1je3 h ASN 69 CO 0.35 1.06 -0.02 0.40 -1.65 0.00 0.00 177.43 177.58 1je3 h ILE 70 N 0.34 1.27 -0.32 2.81 1.08 -1.96 -2.08 117.51 118.66 1je3 h ILE 70 Ca -0.02 -1.03 -0.06 0.00 -0.39 0.00 0.00 64.86 63.36 1je3 h ILE 70 Cb 1.22 1.95 -0.01 0.00 -3.07 0.00 0.00 36.82 36.91 1je3 h ILE 70 CO 0.12 0.26 -0.02 1.55 -0.69 0.00 0.00 178.15 179.37 1je3 h PRO 71 N -0.51 0.57 -0.07 2.37 0.13 -1.95 -2.94 132.00 129.59 1je3 h PRO 71 Ca -0.01 -0.19 -0.03 0.00 -0.87 0.00 0.00 66.00 64.90 1je3 h PRO 71 Cb 0.47 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1je3 h PRO 71 CO 0.01 0.72 -0.09 1.25 -0.23 0.00 0.00 178.00 179.66 1je3 h LEU 72 N 0.36 0.10 0.90 1.56 5.85 -1.54 -0.90 115.31 121.64 1je3 h LEU 72 Ca 0.09 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1je3 h LEU 72 Cb 0.48 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1je3 h LEU 72 CO 0.02 0.21 -0.43 0.44 -0.34 0.00 0.00 178.44 178.34 1je3 h ASP 73 N 0.11 -1.02 -0.27 1.25 5.19 -1.20 -0.63 116.42 119.84 1je3 h ASP 73 Ca 0.02 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1je3 h ASP 73 Cb 0.23 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.99 1je3 h ASP 73 CO 0.01 -0.69 0.11 0.00 -3.12 0.00 0.00 179.24 175.55 1je3 h ALA 74 N -1.37 1.57 0.00 3.45 0.00 -1.45 -1.22 119.26 120.24 1je3 h ALA 74 Ca -0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1je3 h ALA 74 Cb 0.92 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1je3 h ALA 74 CO 0.20 0.33 -0.21 -0.09 0.00 0.00 0.00 179.25 179.49 1je3 h ARG 75 N 0.47 0.00 0.57 0.00 2.43 -1.03 0.40 114.38 117.22 1je3 h ARG 75 Ca 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 1je3 h ARG 75 Cb 0.14 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1je3 h ARG 75 CO -0.01 0.21 -0.27 -0.97 -1.51 0.00 0.00 179.97 177.41 1je3 h ASN 76 N 0.00 -0.65 0.80 -3.80 -0.73 0.15 -3.14 115.58 108.21 1je3 h ASN 76 Ca -0.00 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1je3 h ASN 76 Cb 0.37 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 1je3 h ASN 76 CO 0.03 -0.31 -0.02 0.45 -0.37 0.00 0.00 177.43 177.21 1je3 h HIS 77 N -1.06 0.00 -2.76 0.67 3.86 -1.48 -3.48 115.15 110.90 1je3 h HIS 77 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1je3 h HIS 77 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 1je3 h HIS 77 CO 0.02 0.02 0.00 0.41 0.86 0.00 0.00 177.93 179.24 1je3 n GLY 78 N -0.20 -2.64 0.00 2.45 0.00 0.13 -5.11 105.19 99.83 1je3 n GLY 78 Ca -0.00 -0.34 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 0.03 0.00 -0.04 1.61 4.19 -0.88 -5.00 117.16 117.07 1je3 n TYR 79 Ca 0.00 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.18 1je3 n TYR 79 Cb 0.00 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 39.82 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 0.82 -3.98 2.97 -1.04 -1.26 -4.95 114.28 106.84 1je3 n THR 80 Ca 0.00 0.33 -0.27 0.00 -2.04 0.00 0.00 64.05 62.07 1je3 n THR 80 Cb 0.00 -2.01 -0.17 0.00 -1.82 0.00 0.00 70.33 66.33 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 -1.74 1.11 -0.31 12.58 1.01 -0.84 -5.02 120.40 127.19 1je3 s VAL 81 Ca -0.09 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1je3 s VAL 81 Cb 0.01 -1.11 0.09 0.00 0.00 0.00 0.00 36.38 35.38 1je3 s VAL 81 CO 0.13 0.38 0.03 -0.76 0.00 0.00 0.00 175.10 174.88 1je3 s LEU 82 N 1.59 3.73 0.24 3.92 2.01 -1.26 -1.84 118.68 127.07 1je3 s LEU 82 Ca 0.03 -1.81 0.09 0.00 0.01 0.00 0.00 54.13 52.46 1je3 s LEU 82 Cb -0.13 -1.38 -0.05 0.00 0.01 0.00 0.00 46.19 44.64 1je3 s LEU 82 CO -0.08 -0.35 -0.16 -1.81 1.01 0.00 0.00 176.35 174.97 1je3 s ASP 83 N 1.16 3.00 0.23 2.29 1.11 -0.54 -5.03 116.67 118.88 1je3 s ASP 83 Ca 0.06 -1.04 -0.02 0.00 0.18 0.00 0.00 52.55 51.74 1je3 s ASP 83 Cb -0.19 -0.21 -0.03 0.00 1.07 0.00 0.00 42.92 43.57 1je3 s ASP 83 CO -0.11 -0.10 0.21 0.27 1.18 0.00 0.00 175.17 176.62 1je3 s ILE 84 N -2.79 0.00 0.11 0.77 -4.36 -1.26 -1.08 121.20 112.59 1je3 s ILE 84 Ca 0.26 -1.90 -0.17 0.00 -0.26 0.00 0.00 60.65 58.58 1je3 s ILE 84 Cb -0.02 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.26 1je3 s ILE 84 CO 0.10 0.00 0.43 -1.10 0.24 0.00 0.00 174.94 174.61 1je3 s GLN 85 N -3.99 1.06 0.03 0.37 -0.21 0.79 -4.96 119.66 112.75 1je3 s GLN 85 Ca 0.37 -0.60 0.05 0.00 0.02 0.00 0.00 55.36 55.19 1je3 s GLN 85 Cb 0.05 0.47 -0.02 0.00 1.00 0.00 0.00 33.01 34.51 1je3 s GLN 85 CO 0.14 -0.41 -0.14 -0.65 -2.12 0.00 0.00 175.29 172.11 1je3 s GLN 86 N -3.51 0.98 0.00 2.91 -0.21 -1.26 -1.84 119.66 116.73 1je3 s GLN 86 Ca 0.01 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.69 1je3 s GLN 86 Cb 0.01 -0.99 0.00 0.00 1.00 0.00 0.00 33.01 33.03 1je3 s GLN 86 CO -0.10 0.25 0.00 -0.25 -2.12 0.00 0.00 175.29 173.07 1je3 n ASP 87 N 2.09 0.00 0.00 5.90 8.00 -1.21 -5.00 116.55 126.34 1je3 n ASP 87 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1je3 n ASP 87 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 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 3.56 1.46 0.92 0.44 0.00 -1.26 -4.75 105.19 105.56 1je3 n GLY 88 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 2.20 -4.05 1.61 -0.04 -1.26 -4.87 135.00 128.59 1je3 n PRO 89 Ca 0.00 -0.98 -0.19 0.00 -0.04 0.00 0.00 63.50 62.30 1je3 n PRO 89 Cb 0.00 -1.73 -0.07 0.00 -0.04 0.00 0.00 33.50 31.66 1je3 n PRO 89 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1je3 n THR 90 N 0.19 0.00 -3.76 0.52 -2.24 -1.26 -4.86 114.28 102.87 1je3 n THR 90 Ca 0.09 -2.19 -0.13 0.00 -2.27 0.00 0.00 64.05 59.54 1je3 n THR 90 Cb 0.54 1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 69.72 1je3 n THR 90 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1je3 s ILE 91 N -3.17 0.05 -0.05 2.28 2.07 -1.00 -3.29 121.20 118.08 1je3 s ILE 91 Ca 0.33 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1je3 s ILE 91 Cb 0.02 -0.58 0.01 0.00 0.13 0.00 0.00 42.46 42.04 1je3 s ILE 91 CO 0.23 -0.21 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.36 1je3 s ARG 92 N -1.02 1.29 -0.06 3.50 3.00 -0.77 -2.40 118.95 122.50 1je3 s ARG 92 Ca -0.11 -0.30 0.05 0.00 -1.00 0.00 0.00 55.73 54.37 1je3 s ARG 92 Cb -0.05 -1.14 -0.00 0.00 0.00 0.00 0.00 34.95 33.76 1je3 s ARG 92 CO 0.03 0.01 -0.20 0.71 0.00 0.00 0.00 175.30 175.85 1je3 s TYR 93 N 0.64 2.04 0.03 5.12 1.51 0.43 -0.15 117.35 126.98 1je3 s TYR 93 Ca -0.12 -0.64 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 1je3 s TYR 93 Cb -0.14 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 1je3 s TYR 93 CO 0.02 -0.22 -0.05 -0.48 -1.11 0.00 0.00 175.55 173.71 1je3 s LEU 94 N 0.05 2.27 0.12 -1.29 2.34 -0.24 0.59 118.68 122.51 1je3 s LEU 94 Ca -0.06 -0.56 0.05 0.00 0.06 0.00 0.00 54.13 53.61 1je3 s LEU 94 Cb -0.13 -0.03 -0.04 0.00 -0.56 0.00 0.00 46.19 45.43 1je3 s LEU 94 CO 0.04 -0.27 -0.12 0.27 -1.06 0.00 0.00 176.35 175.21 1je3 s ILE 95 N -1.60 1.16 0.26 1.48 -5.25 -1.17 -1.47 121.20 114.61 1je3 s ILE 95 Ca -0.11 -1.78 -0.06 0.00 -0.99 0.00 0.00 60.65 57.70 1je3 s ILE 95 Cb -0.09 -1.55 -0.01 0.00 2.95 0.00 0.00 42.46 43.76 1je3 s ILE 95 CO -0.01 -0.55 0.36 0.00 -1.79 0.00 0.00 174.94 172.96 1je3 s GLN 96 N -2.99 1.53 0.00 0.37 0.00 -0.77 -0.00 119.66 117.80 1je3 s GLN 96 Ca 0.10 -1.50 0.00 0.00 -0.00 0.00 0.00 55.36 53.95 1je3 s GLN 96 Cb -0.02 0.40 0.00 0.00 0.00 0.00 0.00 33.01 33.39 1je3 s GLN 96 CO 0.01 -0.60 0.07 1.17 0.00 0.00 0.00 175.29 175.94