#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 2.80 -0.04 -5.12 0.00 -1.26 -4.97 107.32 98.73 1je3 s GLY 2 Ca 0.00 0.92 -0.04 0.00 0.00 0.00 0.00 44.72 45.60 1je3 s GLY 2 CO 0.00 1.39 -0.10 -1.26 0.00 0.00 0.00 173.10 173.14 1je3 n SER 3 N -0.24 0.82 0.00 1.64 2.88 -1.26 -4.85 113.62 112.61 1je3 n SER 3 Ca 0.06 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 1je3 n SER 3 Cb 0.48 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1je3 n SER 3 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1je3 n SER 4 N -3.49 1.29 -2.39 -3.46 3.41 -1.26 -4.79 113.62 102.93 1je3 n SER 4 Ca -0.11 -1.64 -0.29 0.00 -0.26 0.00 0.00 58.87 56.57 1je3 n SER 4 Cb 0.45 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1je3 n SER 4 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1je3 n HIS 5 N -0.32 2.23 -3.79 7.33 -0.00 -1.26 -4.85 115.22 114.55 1je3 n HIS 5 Ca 0.00 -2.27 -0.24 0.00 -0.00 0.00 0.00 57.72 55.21 1je3 n HIS 5 Cb 0.33 -1.25 -0.17 0.00 -0.00 0.00 0.00 29.99 28.90 1je3 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 6 N -2.70 0.87 -0.39 4.41 4.02 -1.26 -5.02 115.29 115.22 1je3 s HIS 6 Ca 0.52 -0.35 -0.18 0.00 1.02 0.00 0.00 55.06 56.07 1je3 s HIS 6 Cb 0.39 -0.91 0.01 0.00 -1.02 0.00 0.00 32.58 31.05 1je3 s HIS 6 CO -0.16 -0.39 0.47 -1.01 1.02 0.00 0.00 174.74 174.67 1je3 s HIS 7 N 1.91 3.16 0.28 1.40 0.09 -1.26 -5.06 115.29 115.82 1je3 s HIS 7 Ca 0.04 -0.14 -0.29 0.00 -0.00 0.00 0.00 55.06 54.68 1je3 s HIS 7 Cb -0.13 -2.93 -0.09 0.00 -0.00 0.00 0.00 32.58 29.43 1je3 s HIS 7 CO -0.06 -0.64 0.99 -3.38 -0.00 0.00 0.00 174.74 171.65 1je3 s HIS 8 N 2.28 3.76 -0.10 1.40 -0.00 -1.26 -4.96 115.29 116.41 1je3 s HIS 8 Ca 0.15 1.81 0.14 0.00 -0.00 0.00 0.00 55.06 57.16 1je3 s HIS 8 Cb -0.16 -3.06 -0.20 0.00 -0.00 0.00 0.00 32.58 29.16 1je3 s HIS 8 CO 0.14 0.05 0.16 -2.39 -0.00 0.00 0.00 174.74 172.70 1je3 n HIS 9 N 1.09 0.00 -4.47 0.38 -0.00 -1.26 -5.01 115.22 105.95 1je3 n HIS 9 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.48 1je3 n HIS 9 Cb 0.47 -0.57 -0.10 0.00 -0.00 0.00 0.00 29.99 29.79 1je3 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 10 N -2.61 2.22 -0.04 -1.40 0.09 -1.26 -5.14 115.29 107.14 1je3 s HIS 10 Ca -0.06 -0.42 -0.02 0.00 -0.00 0.00 0.00 55.06 54.56 1je3 s HIS 10 Cb 0.06 -1.06 -0.04 0.00 -0.00 0.00 0.00 32.58 31.55 1je3 s HIS 10 CO 0.60 0.62 0.07 -1.12 -0.00 0.00 0.00 174.74 174.91 1je3 s SER 11 N -3.50 5.65 -0.52 1.40 0.01 -1.26 -5.08 113.70 110.41 1je3 s SER 11 Ca 0.30 0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.56 1je3 s SER 11 Cb -0.02 -1.65 0.08 0.00 0.21 0.00 0.00 66.02 64.64 1je3 s SER 11 CO 0.14 0.32 0.57 -0.44 0.41 0.00 0.00 173.24 174.25 1je3 s SER 12 N -1.42 6.19 -0.96 2.44 0.01 -1.26 -4.98 113.70 113.72 1je3 s SER 12 Ca 0.19 -1.19 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 1je3 s SER 12 Cb -0.12 -2.26 0.29 0.00 0.21 0.00 0.00 66.02 64.14 1je3 s SER 12 CO 0.09 -0.88 1.26 0.61 0.41 0.00 0.00 173.24 174.74 1je3 n GLY 13 N 5.21 5.02 3.58 3.44 0.00 -1.26 -5.01 105.19 116.17 1je3 n GLY 13 Ca -0.09 -2.69 -0.41 0.00 0.00 0.00 0.00 46.02 42.83 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 -2.62 4.22 -0.49 0.99 2.96 -1.26 -5.02 118.68 117.46 1je3 s LEU 14 Ca 0.33 0.23 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1je3 s LEU 14 Cb 0.06 -2.71 0.14 0.00 0.50 0.00 0.00 46.19 44.18 1je3 s LEU 14 CO 0.06 -0.48 0.27 -0.69 -1.32 0.00 0.00 176.35 174.20 1je3 s VAL 15 N 2.52 1.92 -0.53 1.68 1.01 -1.26 -5.07 120.40 120.66 1je3 s VAL 15 Ca 0.22 -2.97 -0.27 0.00 0.00 0.00 0.00 61.98 58.96 1je3 s VAL 15 Cb -0.15 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1je3 s VAL 15 CO 0.13 -0.88 1.92 -2.16 0.00 0.00 0.00 175.10 174.11 1je3 s PRO 16 N -0.03 2.71 0.29 2.72 0.04 -1.26 -4.96 135.00 134.52 1je3 s PRO 16 Ca 0.18 0.89 0.04 0.00 0.04 0.00 0.00 61.00 62.16 1je3 s PRO 16 Cb -0.23 -4.37 -0.06 0.00 0.04 0.00 0.00 34.50 29.88 1je3 s PRO 16 CO -0.02 -2.61 0.02 1.03 0.04 0.00 0.00 177.00 175.46 1je3 s ARG 17 N 6.90 1.56 0.05 4.56 0.52 -1.26 -5.05 118.95 126.23 1je3 s ARG 17 Ca 0.74 -1.83 0.24 0.00 -0.52 0.00 0.00 55.73 54.36 1je3 s ARG 17 Cb -0.15 -0.87 0.38 0.00 0.52 0.00 0.00 34.95 34.83 1je3 s ARG 17 CO 0.24 -0.12 1.32 0.41 0.02 0.00 0.00 175.30 177.18 1je3 n GLY 18 N -0.60 -1.31 3.56 -3.53 0.00 -1.26 -4.91 105.19 97.14 1je3 n GLY 18 Ca -0.04 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1je3 n GLY 18 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1je3 s SER 19 N -3.59 3.85 0.86 1.61 1.04 -1.26 -5.13 113.70 111.08 1je3 s SER 19 Ca 0.08 -1.13 -0.11 0.00 0.48 0.00 0.00 55.95 55.28 1je3 s SER 19 Cb 0.16 -0.40 0.11 0.00 0.10 0.00 0.00 66.02 65.98 1je3 s SER 19 CO 0.72 -0.20 1.13 -1.00 0.98 0.00 0.00 173.24 174.87 1je3 s HIS 20 N -2.58 1.96 0.13 5.02 0.09 -1.26 -4.94 115.29 113.71 1je3 s HIS 20 Ca 0.33 1.71 -0.17 0.00 -0.00 0.00 0.00 55.06 56.92 1je3 s HIS 20 Cb 0.01 -3.26 -0.02 0.00 -0.00 0.00 0.00 32.58 29.32 1je3 s HIS 20 CO 0.17 -2.47 1.74 0.52 -0.00 0.00 0.00 174.74 174.70 1je3 h MET 21 N -1.52 0.47 0.00 1.40 0.00 -1.99 -3.46 114.93 109.83 1je3 h MET 21 Ca -0.43 -0.05 -0.26 0.00 0.00 0.00 0.00 59.70 58.95 1je3 h MET 21 Cb 1.26 -0.09 -0.06 0.00 0.00 0.00 0.00 31.60 32.71 1je3 h MET 21 CO 0.45 0.39 -0.22 1.17 0.00 0.00 0.00 176.91 178.70 1je3 n LYS 22 N -4.79 0.72 -3.94 1.72 4.81 -1.26 -5.14 118.16 110.27 1je3 n LYS 22 Ca -0.01 -1.65 -0.30 0.00 -0.87 0.00 0.00 58.31 55.48 1je3 n LYS 22 Cb 0.08 0.93 -0.16 0.00 0.02 0.00 0.00 35.03 35.90 1je3 n LYS 22 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1je3 s ASN 23 N -2.19 3.78 -0.26 3.14 3.04 -1.26 -4.97 114.94 116.22 1je3 s ASN 23 Ca 0.11 -1.14 0.12 0.00 0.04 0.00 0.00 52.86 51.99 1je3 s ASN 23 Cb 0.01 -1.18 0.54 0.00 -1.54 0.00 0.00 41.25 39.08 1je3 s ASN 23 CO 0.08 -0.23 1.51 -0.38 -3.04 0.00 0.00 177.10 175.04 1je3 n ILE 24 N 4.68 2.53 -0.09 -5.21 2.08 -1.26 -4.63 119.36 117.45 1je3 n ILE 24 Ca -0.12 -2.28 -0.18 0.00 0.56 0.00 0.00 62.75 60.73 1je3 n ILE 24 Cb 0.44 -0.31 -0.11 0.00 -0.75 0.00 0.00 39.64 38.92 1je3 n ILE 24 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1je3 h VAL 25 N 1.41 1.03 -0.81 1.39 2.07 -1.94 -3.45 116.25 115.94 1je3 h VAL 25 Ca 0.17 -2.09 -0.27 0.00 0.82 0.00 0.00 66.70 65.34 1je3 h VAL 25 Cb 1.72 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.73 1je3 h VAL 25 CO 0.41 0.35 1.03 -2.65 0.02 0.00 0.00 177.57 176.72 1je3 n PRO 26 N -4.50 0.66 0.00 1.57 -0.02 -1.26 -0.84 135.00 130.61 1je3 n PRO 26 Ca -0.24 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 60.89 1je3 n PRO 26 Cb 0.58 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 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 15.72 0.00 -4.26 2.55 2.03 0.31 -4.85 116.55 128.05 1je3 n ASP 27 Ca 0.46 0.67 -0.14 0.00 0.52 0.00 0.00 54.79 56.30 1je3 n ASP 27 Cb 0.42 -0.20 -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 -0.47 -1.92 0.00 0.00 177.20 174.81 1je3 s TYR 28 N -1.71 1.28 -0.15 -0.67 5.04 -1.17 -5.02 117.35 114.95 1je3 s TYR 28 Ca 0.00 -1.01 -0.02 0.00 -2.44 0.00 0.00 57.07 53.60 1je3 s TYR 28 Cb 0.00 -0.73 0.05 0.00 0.35 0.00 0.00 41.96 41.63 1je3 s TYR 28 CO 0.00 -0.19 0.01 0.50 -1.34 0.00 0.00 175.55 174.53 1je3 s ARG 29 N -3.91 0.72 -0.91 4.97 3.52 -1.26 -1.81 118.95 120.26 1je3 s ARG 29 Ca 0.25 -0.24 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 1je3 s ARG 29 Cb 0.06 -1.70 0.24 0.00 -1.56 0.00 0.00 34.95 31.99 1je3 s ARG 29 CO 0.05 -0.50 0.90 -0.11 -0.81 0.00 0.00 175.30 174.83 1je3 n LEU 30 N 5.07 4.55 -3.80 -0.88 -0.00 0.61 -4.96 117.00 117.60 1je3 n LEU 30 Ca -0.09 -5.18 -0.40 0.00 -0.00 0.00 0.00 56.01 50.35 1je3 n LEU 30 Cb 0.48 -1.10 -0.00 0.00 -0.00 0.00 0.00 43.42 42.80 1je3 n LEU 30 CO 0.12 1.63 1.01 -0.90 -0.00 0.00 0.00 177.39 179.25 1je3 n ASP 31 N 2.00 6.17 0.00 1.96 5.68 -1.26 -0.29 116.55 130.82 1je3 n ASP 31 Ca 0.24 -3.49 0.00 0.00 -0.50 0.00 0.00 54.79 51.04 1je3 n ASP 31 Cb 0.37 -1.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.21 1je3 n ASP 31 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 1je3 n MET 32 N 0.90 0.00 -4.24 0.11 0.00 0.46 -4.81 117.12 109.55 1je3 n MET 32 Ca 0.31 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.84 1je3 n MET 32 Cb 0.33 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.40 1je3 n MET 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1je3 s VAL 33 N 1.77 0.52 -0.89 3.17 1.01 -1.26 -2.86 120.40 121.86 1je3 s VAL 33 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 1je3 s VAL 33 Cb 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 36.38 35.86 1je3 s VAL 33 CO 0.00 0.15 2.08 -0.83 0.00 0.00 0.00 175.10 176.50 1je3 s GLY 34 N -0.15 -0.15 -0.00 4.51 0.00 -1.18 -4.81 107.32 105.54 1je3 s GLY 34 Ca 0.03 -1.34 -0.24 0.00 0.00 0.00 0.00 44.72 43.16 1je3 s GLY 34 CO -0.00 3.73 0.72 1.85 0.00 0.00 0.00 173.10 179.40 1je3 s GLU 35 N 7.56 4.45 0.39 2.90 2.12 -1.26 -4.90 118.70 129.96 1je3 s GLU 35 Ca 0.77 0.96 0.17 0.00 0.36 0.00 0.00 54.97 57.23 1je3 s GLU 35 Cb -0.08 -3.39 0.78 0.00 0.26 0.00 0.00 34.13 31.70 1je3 s GLU 35 CO 0.03 0.21 1.81 -1.00 -0.54 0.00 0.00 175.26 175.77 1je3 h PRO 36 N 6.07 0.00 -6.63 4.30 0.13 -2.01 -3.44 132.00 130.42 1je3 h PRO 36 Ca -0.43 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.18 1je3 h PRO 36 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1je3 h PRO 36 CO 0.72 0.36 0.51 0.00 -0.23 0.00 0.00 178.00 179.36 1je3 s PRO 38 N -0.14 1.64 0.12 0.00 0.02 -1.26 -4.33 135.00 131.05 1je3 s PRO 38 Ca 0.51 0.35 0.00 0.00 0.02 0.00 0.00 61.00 61.88 1je3 s PRO 38 Cb -0.30 -4.82 0.00 0.00 0.02 0.00 0.00 34.50 29.39 1je3 s PRO 38 CO 0.35 -4.45 0.00 0.98 -0.33 0.00 0.00 177.00 173.54 1je3 n TYR 39 N 18.38 -1.06 0.00 6.54 9.36 -1.26 -4.89 117.16 144.23 1je3 n TYR 39 Ca 0.46 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.87 1je3 n TYR 39 Cb 0.44 0.56 0.00 0.00 -0.63 0.00 0.00 39.34 39.71 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 -2.88 0.00 0.00 2.98 -0.04 -1.26 -3.60 135.00 130.19 1je3 n PRO 40 Ca 0.00 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1je3 n PRO 40 Cb 0.00 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.61 1.07 -0.11 0.55 0.00 -1.26 -2.62 120.51 116.54 1je3 n ALA 41 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.70 1je3 n ALA 41 Cb 0.00 -0.79 0.72 0.00 0.00 0.00 0.00 19.45 19.37 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 0.52 -0.12 0.00 2.07 -1.90 0.50 116.25 117.31 1je3 h VAL 42 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1je3 h VAL 42 Cb 0.06 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1je3 h VAL 42 CO 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 177.57 176.91 1je3 h ALA 43 N 1.53 0.58 0.24 1.67 0.00 -1.77 -2.81 119.26 118.71 1je3 h ALA 43 Ca 0.36 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1je3 h ALA 43 Cb 1.54 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1je3 h ALA 43 CO -0.00 0.73 -0.23 1.15 0.00 0.00 0.00 179.25 180.90 1je3 h THR 44 N 0.36 0.51 -0.21 0.00 2.02 -0.26 0.17 112.91 115.50 1je3 h THR 44 Ca -0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1je3 h THR 44 Cb 1.25 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1je3 h THR 44 CO 0.12 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 176.07 1je3 h LEU 45 N -0.49 0.26 -2.32 2.58 3.38 -1.57 -1.75 115.31 115.40 1je3 h LEU 45 Ca -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1je3 h LEU 45 Cb 0.46 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1je3 h LEU 45 CO -0.04 0.26 -0.01 1.05 0.09 0.00 0.00 178.44 179.79 1je3 h GLU 46 N 0.25 0.00 -0.00 1.13 4.11 -1.35 -1.66 114.58 117.05 1je3 h GLU 46 Ca 0.08 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.37 1je3 h GLU 46 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1je3 h GLU 46 CO -0.01 0.01 -0.64 0.00 0.07 0.00 0.00 179.01 178.43 1je3 h ALA 47 N 1.99 0.93 -0.16 1.06 0.00 0.27 -3.13 119.26 120.22 1je3 h ALA 47 Ca -0.00 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.38 1je3 h ALA 47 Cb 0.22 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 1je3 h ALA 47 CO 0.00 0.80 -0.31 0.52 0.00 0.00 0.00 179.25 180.26 1je3 h MET 48 N 0.01 -0.36 -0.33 0.00 2.86 -1.11 0.16 114.93 116.17 1je3 h MET 48 Ca -0.01 0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 1je3 h MET 48 Cb 1.14 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1je3 h MET 48 CO 0.09 -0.24 -0.48 -1.00 1.06 0.00 0.00 176.91 176.34 1je3 h PRO 49 N -0.37 0.89 0.00 -0.22 0.13 -1.73 -2.78 132.00 127.92 1je3 h PRO 49 Ca 0.10 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1je3 h PRO 49 Cb 0.53 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1je3 h PRO 49 CO -0.37 1.16 0.00 1.04 -0.23 0.00 0.00 178.00 179.61 1je3 n GLN 50 N -4.03 0.65 -1.29 0.86 6.02 -0.96 -4.89 117.38 113.74 1je3 n GLN 50 Ca -0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.58 1je3 n GLN 50 Cb 0.59 -1.15 0.04 0.00 1.02 0.00 0.00 30.24 30.75 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 -0.65 -1.11 0.00 1.08 -0.00 0.52 -5.00 117.00 111.84 1je3 n LEU 51 Ca 0.05 0.62 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 1je3 n LEU 51 Cb 0.02 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 1je3 n LEU 51 CO 0.03 -3.85 0.00 0.29 -0.00 0.00 0.00 177.39 173.87 1je3 n LYS 52 N 0.41 0.71 -1.03 1.47 5.02 -1.26 -5.02 118.16 118.46 1je3 n LYS 52 Ca 0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 1je3 n LYS 52 Cb 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.44 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 1.89 0.00 1.97 5.02 -1.26 -4.59 118.16 121.18 1je3 n LYS 53 Ca 0.00 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 1je3 n LYS 53 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 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 1.32 1.99 3.42 0.72 0.00 -1.26 -5.05 105.19 106.32 1je3 n GLY 54 Ca 0.34 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.23 1.52 0.04 1.61 2.56 -1.26 -4.11 118.70 118.83 1je3 s GLU 55 Ca 0.00 -1.64 -0.27 0.00 0.00 0.00 0.00 54.97 53.06 1je3 s GLU 55 Cb 0.00 -1.57 0.07 0.00 2.00 0.00 0.00 34.13 34.63 1je3 s GLU 55 CO 0.00 0.30 0.63 0.42 -0.56 0.00 0.00 175.26 176.05 1je3 s ILE 56 N -2.43 0.00 0.03 -3.70 1.01 -0.02 -0.55 121.20 115.54 1je3 s ILE 56 Ca 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 1je3 s ILE 56 Cb -0.05 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1je3 s ILE 56 CO 0.11 -0.01 -0.02 -0.22 0.00 0.00 0.00 174.94 174.80 1je3 s LEU 57 N -1.85 2.29 -0.16 2.97 2.96 0.13 0.11 118.68 125.14 1je3 s LEU 57 Ca -0.06 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.11 1je3 s LEU 57 Cb -0.00 0.19 0.06 0.00 0.50 0.00 0.00 46.19 46.94 1je3 s LEU 57 CO 0.00 -0.44 0.13 -1.61 -1.32 0.00 0.00 176.35 173.11 1je3 s GLU 58 N -2.56 0.08 -0.16 1.98 2.02 -0.75 -3.08 118.70 116.22 1je3 s GLU 58 Ca -0.06 0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.04 1je3 s GLU 58 Cb -0.02 -1.39 0.01 0.00 0.10 0.00 0.00 34.13 32.83 1je3 s GLU 58 CO -0.05 -0.60 -0.18 0.08 0.02 0.00 0.00 175.26 174.53 1je3 s VAL 59 N 2.20 2.32 -0.46 2.63 1.01 0.30 -0.28 120.40 128.13 1je3 s VAL 59 Ca 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1je3 s VAL 59 Cb -0.15 -1.97 0.13 0.00 0.00 0.00 0.00 36.38 34.39 1je3 s VAL 59 CO -0.09 0.53 0.23 -0.69 0.00 0.00 0.00 175.10 175.08 1je3 s VAL 60 N 1.02 1.81 0.25 2.92 1.01 0.60 -0.73 120.40 127.28 1je3 s VAL 60 Ca -0.02 -2.76 0.07 0.00 0.00 0.00 0.00 61.98 59.28 1je3 s VAL 60 Cb -0.15 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1je3 s VAL 60 CO -0.05 -0.84 -0.09 -0.94 0.00 0.00 0.00 175.10 173.18 1je3 s SER 61 N 0.21 2.62 -0.09 3.32 1.04 -0.82 -0.40 113.70 119.58 1je3 s SER 61 Ca 0.17 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.51 1je3 s SER 61 Cb -0.25 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 1je3 s SER 61 CO -0.01 -0.29 -0.21 1.51 0.98 0.00 0.00 173.24 175.23 1je3 s ASP 62 N -3.38 3.37 -0.07 7.02 1.47 -1.13 -1.93 116.67 122.02 1je3 s ASP 62 Ca 0.27 -0.47 -0.10 0.00 1.18 0.00 0.00 52.55 53.43 1je3 s ASP 62 Cb 0.02 -1.27 0.02 0.00 -0.34 0.00 0.00 42.92 41.35 1je3 s ASP 62 CO 0.10 0.20 0.25 0.00 0.68 0.00 0.00 175.17 176.39 1je3 h PRO 64 N 5.31 0.00 0.00 0.00 0.13 -1.95 -3.45 132.00 132.04 1je3 h PRO 64 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1je3 h PRO 64 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1je3 h PRO 64 CO 0.36 0.27 0.00 1.04 -0.23 0.00 0.00 178.00 179.44 1je3 n GLN 65 N -3.49 0.97 -0.00 0.86 6.02 -1.26 -5.05 117.38 115.44 1je3 n GLN 65 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1je3 n GLN 65 Cb 0.44 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.69 1je3 n GLN 65 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1je3 n SER 66 N -0.97 4.94 -4.77 1.08 2.88 -1.26 -5.04 113.62 110.47 1je3 n SER 66 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1je3 n SER 66 Cb 0.00 0.77 -0.01 0.00 -0.75 0.00 0.00 64.21 64.22 1je3 n SER 66 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1je3 s ILE 67 N -2.01 2.18 -0.13 2.46 1.01 -1.26 -4.97 121.20 118.47 1je3 s ILE 67 Ca -0.00 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 1je3 s ILE 67 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1je3 s ILE 67 CO 0.01 0.04 0.63 0.20 0.00 0.00 0.00 174.94 175.81 1je3 s ASN 68 N 0.01 6.80 0.00 3.58 -0.87 -1.26 -5.01 114.94 118.19 1je3 s ASN 68 Ca 0.55 0.96 0.00 0.00 -1.57 0.00 0.00 52.86 52.81 1je3 s ASN 68 Cb -0.46 -2.36 0.00 0.00 -0.02 0.00 0.00 41.25 38.41 1je3 s ASN 68 CO 0.57 -0.16 0.28 -3.20 -2.57 0.00 0.00 177.10 172.02 1je3 n ASN 69 N 4.30 0.00 -0.10 -1.22 5.15 -1.26 -3.03 115.26 119.09 1je3 n ASN 69 Ca -0.02 0.44 -0.06 0.00 -0.60 0.00 0.00 54.58 54.34 1je3 n ASN 69 Cb 0.51 -0.25 0.01 0.00 -0.53 0.00 0.00 39.78 39.51 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 1je3 h ILE 70 N 0.00 0.44 -0.61 -1.44 1.08 -1.95 -1.41 117.51 113.62 1je3 h ILE 70 Ca 0.00 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 1je3 h ILE 70 Cb 0.00 0.44 -0.04 0.00 -3.07 0.00 0.00 36.82 34.15 1je3 h ILE 70 CO 0.00 0.00 0.41 -0.65 -0.69 0.00 0.00 178.15 177.22 1je3 h PRO 71 N -0.13 0.36 -0.59 2.37 0.11 -1.97 -1.01 132.00 131.13 1je3 h PRO 71 Ca 0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1je3 h PRO 71 Cb 0.41 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 1je3 h PRO 71 CO -0.45 0.24 0.33 1.25 -0.21 0.00 0.00 178.00 179.15 1je3 h LEU 72 N 0.37 0.72 0.61 2.35 5.85 -1.17 -0.07 115.31 123.97 1je3 h LEU 72 Ca 0.29 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1je3 h LEU 72 Cb 0.62 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.48 1je3 h LEU 72 CO -0.08 0.58 -0.29 0.44 -0.34 0.00 0.00 178.44 178.75 1je3 h ASP 73 N 0.82 -0.69 -0.49 1.25 5.19 -1.10 -1.80 116.42 119.61 1je3 h ASP 73 Ca 0.21 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1je3 h ASP 73 Cb 0.01 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.67 1je3 h ASP 73 CO -0.04 -0.37 0.30 0.00 -3.12 0.00 0.00 179.24 176.01 1je3 h ALA 74 N -0.74 1.58 -0.41 3.45 0.00 -1.48 -1.82 119.26 119.84 1je3 h ALA 74 Ca -0.08 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1je3 h ALA 74 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1je3 h ALA 74 CO 0.14 0.37 0.02 0.00 0.00 0.00 0.00 179.25 179.77 1je3 h ARG 75 N 0.69 0.65 0.50 0.00 2.47 -0.93 0.25 114.38 118.01 1je3 h ARG 75 Ca 0.18 -0.15 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1je3 h ARG 75 Cb -0.02 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1je3 h ARG 75 CO -0.03 0.66 -0.27 -0.97 0.56 0.00 0.00 179.97 179.92 1je3 h ASN 76 N 0.62 -0.65 0.33 7.04 -0.73 -0.43 -2.89 115.58 118.88 1je3 h ASN 76 Ca 0.13 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 1je3 h ASN 76 Cb 0.36 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.12 1je3 h ASN 76 CO 0.01 -0.43 -0.17 0.45 -0.37 0.00 0.00 177.43 176.92 1je3 h HIS 77 N -0.70 0.00 -2.19 0.67 3.86 -1.55 -3.48 115.15 111.76 1je3 h HIS 77 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1je3 h HIS 77 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1je3 h HIS 77 CO 0.05 0.17 0.00 0.41 0.86 0.00 0.00 177.93 179.43 1je3 n GLY 78 N -0.72 -2.11 0.00 2.45 0.00 0.83 -5.12 105.19 100.52 1je3 n GLY 78 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.12 0.00 -0.04 1.61 4.19 -0.97 -5.01 117.16 117.06 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 0.75 -4.21 2.97 -1.04 -1.26 -4.95 114.28 106.55 1je3 n THR 80 Ca 0.00 0.35 -0.29 0.00 -2.04 0.00 0.00 64.05 62.07 1je3 n THR 80 Cb 0.00 -1.97 -0.17 0.00 -1.82 0.00 0.00 70.33 66.37 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 -1.68 1.48 -0.28 12.58 1.01 -0.84 -5.02 120.40 127.64 1je3 s VAL 81 Ca -0.08 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1je3 s VAL 81 Cb 0.01 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 35.10 1je3 s VAL 81 CO 0.12 0.44 0.02 -0.76 0.00 0.00 0.00 175.10 174.92 1je3 s LEU 82 N 1.28 2.91 0.17 3.92 2.01 -1.26 -2.05 118.68 125.67 1je3 s LEU 82 Ca -0.00 -1.53 0.07 0.00 0.01 0.00 0.00 54.13 52.68 1je3 s LEU 82 Cb -0.14 -1.16 -0.04 0.00 0.01 0.00 0.00 46.19 44.86 1je3 s LEU 82 CO -0.06 -0.33 -0.14 -0.62 1.01 0.00 0.00 176.35 176.20 1je3 s ASP 83 N 1.37 2.36 0.14 2.29 -1.08 -0.69 -5.04 116.67 116.02 1je3 s ASP 83 Ca 0.03 -0.94 -0.01 0.00 -0.52 0.00 0.00 52.55 51.11 1je3 s ASP 83 Cb -0.18 -0.11 -0.04 0.00 -1.46 0.00 0.00 42.92 41.13 1je3 s ASP 83 CO -0.12 -0.16 0.07 0.27 0.52 0.00 0.00 175.17 175.74 1je3 s ILE 84 N -2.66 0.09 0.08 4.11 -0.00 -1.26 -1.04 121.20 120.52 1je3 s ILE 84 Ca 0.17 -1.93 -0.19 0.00 -0.00 0.00 0.00 60.65 58.71 1je3 s ILE 84 Cb -0.02 -2.12 0.04 0.00 -0.00 0.00 0.00 42.46 40.36 1je3 s ILE 84 CO 0.05 -0.39 0.44 -1.58 -0.00 0.00 0.00 174.94 173.46 1je3 s GLN 85 N -4.06 1.01 0.13 0.37 0.74 0.47 -4.95 119.66 113.37 1je3 s GLN 85 Ca 0.26 -0.45 0.04 0.00 0.05 0.00 0.00 55.36 55.27 1je3 s GLN 85 Cb 0.07 0.45 -0.04 0.00 1.10 0.00 0.00 33.01 34.60 1je3 s GLN 85 CO 0.03 -0.37 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.16 1je3 s GLN 86 N -2.95 1.00 0.00 1.67 0.74 -1.26 -1.02 119.66 117.84 1je3 s GLN 86 Ca -0.02 -1.36 0.00 0.00 0.05 0.00 0.00 55.36 54.02 1je3 s GLN 86 Cb 0.00 -0.62 0.00 0.00 1.10 0.00 0.00 33.01 33.49 1je3 s GLN 86 CO -0.06 0.08 0.00 -3.47 -0.55 0.00 0.00 175.29 171.30 1je3 n ASP 87 N 0.05 0.00 0.00 6.67 2.03 -1.21 -4.96 116.55 119.13 1je3 n ASP 87 Ca -0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.19 1je3 n ASP 87 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 3.40 2.02 0.02 0.27 0.00 -1.26 -4.94 105.19 104.70 1je3 n GLY 88 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.96 -4.14 1.61 -0.04 -1.26 -4.83 135.00 127.30 1je3 n PRO 89 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1je3 n PRO 89 Cb 0.00 -1.02 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.96 0.00 -0.04 0.52 -4.23 -1.26 -4.72 115.64 103.94 1je3 s THR 90 Ca 0.00 -1.72 -0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1je3 s THR 90 Cb 0.00 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1je3 s THR 90 CO 0.00 0.00 0.22 -0.51 -0.54 0.00 0.00 174.62 173.79 1je3 s ILE 91 N -3.27 0.04 -0.04 2.99 2.07 -0.81 -3.29 121.20 118.90 1je3 s ILE 91 Ca 0.33 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1je3 s ILE 91 Cb 0.01 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.18 1je3 s ILE 91 CO 0.21 -0.19 -0.02 -0.60 -1.91 0.00 0.00 174.94 172.43 1je3 s ARG 92 N -0.72 0.54 0.29 3.50 3.52 -0.19 -1.94 118.95 123.94 1je3 s ARG 92 Ca -0.08 -0.01 0.09 0.00 -0.13 0.00 0.00 55.73 55.60 1je3 s ARG 92 Cb -0.04 -0.64 -0.06 0.00 -1.56 0.00 0.00 34.95 32.65 1je3 s ARG 92 CO 0.02 -0.11 -0.11 0.71 -0.81 0.00 0.00 175.30 175.00 1je3 s TYR 93 N 0.95 2.11 0.00 5.12 2.02 0.09 -0.39 117.35 127.25 1je3 s TYR 93 Ca -0.11 -0.55 -0.21 0.00 -0.37 0.00 0.00 57.07 55.83 1je3 s TYR 93 Cb -0.14 -1.11 0.04 0.00 -0.40 0.00 0.00 41.96 40.35 1je3 s TYR 93 CO -0.01 0.46 0.47 -0.48 -1.57 0.00 0.00 175.55 174.43 1je3 s LEU 94 N -3.48 0.16 0.15 -1.29 2.34 -0.21 -0.54 118.68 115.81 1je3 s LEU 94 Ca 0.29 0.26 0.02 0.00 0.06 0.00 0.00 54.13 54.76 1je3 s LEU 94 Cb 0.01 1.89 -0.04 0.00 -0.56 0.00 0.00 46.19 47.48 1je3 s LEU 94 CO 0.13 -0.59 -0.03 0.27 -1.06 0.00 0.00 176.35 175.07 1je3 s ILE 95 N -1.77 0.76 0.35 1.48 -5.25 -1.18 -1.70 121.20 113.89 1je3 s ILE 95 Ca -0.09 -1.98 -0.09 0.00 -0.99 0.00 0.00 60.65 57.49 1je3 s ILE 95 Cb -0.02 -1.97 0.02 0.00 2.95 0.00 0.00 42.46 43.44 1je3 s ILE 95 CO 0.03 -0.62 0.61 0.00 -1.79 0.00 0.00 174.94 173.17 1je3 s GLN 96 N -3.87 2.00 0.00 0.37 -2.07 -0.87 0.17 119.66 115.39 1je3 s GLN 96 Ca 0.20 -1.55 0.00 0.00 -1.82 0.00 0.00 55.36 52.19 1je3 s GLN 96 Cb 0.05 0.52 0.00 0.00 -1.09 0.00 0.00 33.01 32.50 1je3 s GLN 96 CO 0.01 -0.88 0.42 1.17 -1.32 0.00 0.00 175.29 174.70