#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 3.98 3.86 -5.12 0.00 -1.26 -4.95 105.19 101.70 1je3 n GLY 2 Ca 0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1je3 n GLY 2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1je3 s SER 3 N 3.19 6.64 -0.20 1.61 1.04 -1.26 -5.00 113.70 119.74 1je3 s SER 3 Ca 0.48 0.78 0.14 0.00 0.48 0.00 0.00 55.95 57.83 1je3 s SER 3 Cb 0.11 -2.18 0.41 0.00 0.10 0.00 0.00 66.02 64.46 1je3 s SER 3 CO -0.04 0.23 1.27 -1.54 0.98 0.00 0.00 173.24 174.14 1je3 n SER 4 N 1.20 2.30 -1.89 7.02 3.41 -1.26 -4.66 113.62 119.75 1je3 n SER 4 Ca -0.10 -3.52 -0.21 0.00 -0.26 0.00 0.00 58.87 54.77 1je3 n SER 4 Cb 0.53 -0.52 0.04 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.16 2.49 -0.07 7.33 -0.00 -1.26 -4.64 115.22 117.90 1je3 n HIS 5 Ca 0.21 -2.17 -0.08 0.00 -0.00 0.00 0.00 57.72 55.68 1je3 n HIS 5 Cb 0.76 -0.37 -0.11 0.00 -0.00 0.00 0.00 29.99 30.27 1je3 n HIS 5 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1je3 n HIS 6 N -0.76 0.00 -3.58 4.41 -0.00 -1.26 -4.91 115.22 109.12 1je3 n HIS 6 Ca 0.42 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.86 1je3 n HIS 6 Cb 0.93 -0.71 -0.16 0.00 -0.00 0.00 0.00 29.99 30.06 1je3 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1je3 s HIS 7 N -2.35 0.34 0.29 -1.40 0.09 -1.26 -5.14 115.29 105.86 1je3 s HIS 7 Ca -0.10 -0.70 0.03 0.00 -0.00 0.00 0.00 55.06 54.28 1je3 s HIS 7 Cb 0.05 -0.86 -0.06 0.00 -0.00 0.00 0.00 32.58 31.71 1je3 s HIS 7 CO 0.57 -0.71 0.07 -1.01 -0.00 0.00 0.00 174.74 173.66 1je3 s HIS 8 N 2.09 1.75 0.20 1.40 0.09 -1.26 -5.12 115.29 114.44 1je3 s HIS 8 Ca 0.06 -1.06 -0.30 0.00 -0.00 0.00 0.00 55.06 53.76 1je3 s HIS 8 Cb -0.16 -1.09 -0.08 0.00 -0.00 0.00 0.00 32.58 31.24 1je3 s HIS 8 CO -0.26 -0.16 1.24 -1.58 -0.00 0.00 0.00 174.74 173.99 1je3 s HIS 9 N -3.52 3.34 -0.46 1.40 5.65 -1.26 -4.95 115.29 115.50 1je3 s HIS 9 Ca 0.37 1.35 0.03 0.00 0.25 0.00 0.00 55.06 57.06 1je3 s HIS 9 Cb 0.08 -3.51 0.46 0.00 -1.18 0.00 0.00 32.58 28.43 1je3 s HIS 9 CO 0.14 -1.48 1.57 0.72 -0.65 0.00 0.00 174.74 175.05 1je3 n HIS 10 N 2.40 2.95 -3.23 3.88 -0.00 -1.26 -5.01 115.22 114.95 1je3 n HIS 10 Ca 0.05 -2.58 -0.38 0.00 -0.00 0.00 0.00 57.72 54.80 1je3 n HIS 10 Cb 0.44 -0.84 -0.06 0.00 -0.00 0.00 0.00 29.99 29.53 1je3 n HIS 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1je3 s SER 11 N -2.79 6.79 0.00 0.41 0.15 -1.26 -4.92 113.70 112.07 1je3 s SER 11 Ca 0.57 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1je3 s SER 11 Cb 0.45 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1je3 s SER 11 CO 0.02 -0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.23 1je3 n SER 12 N 3.62 4.15 -3.75 5.45 7.64 -1.26 -4.90 113.62 124.57 1je3 n SER 12 Ca -0.05 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.55 1je3 n SER 12 Cb 0.51 0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 64.30 1je3 n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1je3 s GLY 13 N -1.96 2.43 -0.22 0.23 0.00 -1.26 -4.88 107.32 101.66 1je3 s GLY 13 Ca 0.00 -3.44 0.14 0.00 0.00 0.00 0.00 44.72 41.43 1je3 s GLY 13 CO 0.00 1.39 1.45 -0.10 0.00 0.00 0.00 173.10 175.84 1je3 n LEU 14 N 2.23 4.04 -4.02 0.66 -0.00 -1.26 -4.89 117.00 113.75 1je3 n LEU 14 Ca 0.23 -3.25 -0.31 0.00 -0.00 0.00 0.00 56.01 52.67 1je3 n LEU 14 Cb 0.39 -0.58 -0.15 0.00 -0.00 0.00 0.00 43.42 43.08 1je3 n LEU 14 CO 0.22 0.85 -0.36 0.68 -0.00 0.00 0.00 177.39 178.77 1je3 s VAL 15 N -2.97 2.18 -0.05 1.96 -7.23 -1.26 -4.98 120.40 108.05 1je3 s VAL 15 Ca 0.43 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1je3 s VAL 15 Cb 0.36 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1je3 s VAL 15 CO 0.06 -0.46 0.95 -0.81 -0.31 0.00 0.00 175.10 174.53 1je3 n PRO 16 N 4.32 0.97 0.24 4.82 -0.04 -1.26 -3.99 135.00 140.07 1je3 n PRO 16 Ca -0.01 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.59 1je3 n PRO 16 Cb 0.42 -1.04 0.40 0.00 -0.04 0.00 0.00 33.50 33.24 1je3 n PRO 16 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1je3 h ARG 17 N 0.05 0.00 0.00 0.54 1.12 -2.01 -3.46 114.38 110.62 1je3 h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1je3 h ARG 17 Cb 0.95 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 1je3 h ARG 17 CO 0.00 0.04 0.00 0.41 -3.11 0.00 0.00 179.97 177.31 1je3 n GLY 18 N 0.60 4.28 2.93 2.80 0.00 -1.26 -5.14 105.19 109.41 1je3 n GLY 18 Ca 0.02 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 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 0.97 2.24 -0.18 1.61 0.01 -1.26 -5.12 113.70 111.97 1je3 s SER 19 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1je3 s SER 19 Cb 0.00 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.34 1je3 s SER 19 CO 0.00 -0.10 -0.17 -1.00 0.41 0.00 0.00 173.24 172.38 1je3 s HIS 20 N 1.60 2.80 -1.38 2.43 3.76 -1.26 -5.04 115.29 118.19 1je3 s HIS 20 Ca 0.04 -1.39 -0.15 0.00 -0.15 0.00 0.00 55.06 53.41 1je3 s HIS 20 Cb -0.13 -1.93 0.07 0.00 1.11 0.00 0.00 32.58 31.70 1je3 s HIS 20 CO -0.08 -0.69 2.01 -0.12 -0.85 0.00 0.00 174.74 175.02 1je3 n MET 21 N 4.49 3.05 -0.87 1.40 1.56 -1.26 -4.97 117.12 120.51 1je3 n MET 21 Ca -0.20 -2.95 -0.30 0.00 -0.27 0.00 0.00 57.70 53.99 1je3 n MET 21 Cb 0.51 -3.31 0.18 0.00 2.15 0.00 0.00 33.22 32.74 1je3 n MET 21 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1je3 s LYS 22 N 3.20 0.58 0.00 2.12 -2.85 -1.26 -5.04 119.74 116.50 1je3 s LYS 22 Ca 0.48 1.05 0.00 0.00 -1.00 0.00 0.00 55.97 56.50 1je3 s LYS 22 Cb 0.10 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 34.15 1je3 s LYS 22 CO -0.03 -2.77 0.00 0.09 0.10 0.00 0.00 175.35 172.75 1je3 n ASN 23 N -4.28 -0.43 -2.20 0.03 3.02 -1.26 -5.10 115.26 105.04 1je3 n ASN 23 Ca 0.07 -0.59 -0.02 0.00 -0.03 0.00 0.00 54.58 54.02 1je3 n ASN 23 Cb 0.54 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.71 1je3 n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1je3 n ILE 24 N -1.87 0.00 0.08 2.41 -5.35 -1.26 -5.06 119.36 108.30 1je3 n ILE 24 Ca 0.00 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 1je3 n ILE 24 Cb 0.00 -0.45 -0.08 0.00 -1.74 0.00 0.00 39.64 37.36 1je3 n ILE 24 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1je3 h VAL 25 N 0.53 0.99 -1.19 7.28 2.07 -1.93 -3.42 116.25 120.59 1je3 h VAL 25 Ca -0.02 -0.51 -0.48 0.00 0.82 0.00 0.00 66.70 66.51 1je3 h VAL 25 Cb 0.09 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1je3 h VAL 25 CO 0.04 0.12 1.66 -0.81 0.02 0.00 0.00 177.57 178.60 1je3 n PRO 26 N -5.06 0.79 0.00 1.57 -0.04 -1.26 0.60 135.00 131.59 1je3 n PRO 26 Ca -0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1je3 n PRO 26 Cb 0.18 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 1je3 n PRO 26 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1je3 n ASP 27 N 14.36 0.00 -4.26 3.54 2.03 0.12 -4.84 116.55 127.50 1je3 n ASP 27 Ca 0.45 0.03 -0.14 0.00 0.52 0.00 0.00 54.79 55.65 1je3 n ASP 27 Cb 0.41 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.07 1.31 0.01 -0.67 5.04 -1.18 -5.02 117.35 116.77 1je3 s TYR 28 Ca 0.00 -1.09 0.02 0.00 -2.44 0.00 0.00 57.07 53.56 1je3 s TYR 28 Cb 0.00 -0.75 -0.01 0.00 0.35 0.00 0.00 41.96 41.55 1je3 s TYR 28 CO 0.00 -0.28 -0.07 -0.98 -1.34 0.00 0.00 175.55 172.88 1je3 s ARG 29 N -3.97 0.54 -0.45 4.97 1.70 -1.26 -2.28 118.95 118.20 1je3 s ARG 29 Ca 0.29 -0.38 0.03 0.00 -0.47 0.00 0.00 55.73 55.20 1je3 s ARG 29 Cb 0.07 -0.48 0.16 0.00 -0.57 0.00 0.00 34.95 34.13 1je3 s ARG 29 CO 0.07 0.12 0.31 -1.17 -1.08 0.00 0.00 175.30 173.56 1je3 s LEU 30 N -0.53 2.14 -0.99 -1.89 1.98 0.72 -4.98 118.68 115.13 1je3 s LEU 30 Ca -0.00 -2.90 -0.02 0.00 -2.89 0.00 0.00 54.13 48.31 1je3 s LEU 30 Cb -0.04 -0.75 0.30 0.00 0.66 0.00 0.00 46.19 46.36 1je3 s LEU 30 CO 0.00 -0.21 1.37 -0.90 -1.89 0.00 0.00 176.35 174.72 1je3 n ASP 31 N 3.12 5.98 0.00 3.68 5.75 -1.25 -0.57 116.55 133.26 1je3 n ASP 31 Ca 0.20 -3.45 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 1je3 n ASP 31 Cb 0.41 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.36 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1je3 n MET 32 N 1.09 0.00 -4.23 0.11 2.81 0.16 -4.85 117.12 112.20 1je3 n MET 32 Ca 0.28 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 56.01 1je3 n MET 32 Cb 0.34 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.71 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 1.84 0.61 -0.51 2.03 1.01 -1.26 -2.96 120.40 121.16 1je3 s VAL 33 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1je3 s VAL 33 Cb 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 36.38 35.94 1je3 s VAL 33 CO 0.00 0.05 1.27 0.61 0.00 0.00 0.00 175.10 177.03 1je3 n GLY 34 N 2.56 -0.63 3.69 4.51 0.00 -1.19 -4.65 105.19 109.48 1je3 n GLY 34 Ca -0.15 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.21 1.28 -0.92 1.61 -1.05 -1.26 -4.73 118.70 110.41 1je3 s GLU 35 Ca -0.01 1.51 -0.26 0.00 -0.15 0.00 0.00 54.97 56.06 1je3 s GLU 35 Cb 0.03 -1.76 -0.16 0.00 -0.44 0.00 0.00 34.13 31.79 1je3 s GLU 35 CO 0.09 -2.43 2.25 -1.25 0.95 0.00 0.00 175.26 174.87 1je3 s PRO 36 N -4.64 1.52 0.74 -4.83 0.04 -1.26 -4.93 135.00 121.64 1je3 s PRO 36 Ca 0.66 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 1je3 s PRO 36 Cb -0.22 -4.89 0.04 0.00 0.04 0.00 0.00 34.50 29.46 1je3 s PRO 36 CO 0.57 -4.78 1.08 0.00 0.04 0.00 0.00 177.00 173.90 1je3 h PRO 38 N -0.89 0.67 -2.04 0.00 0.13 -2.00 -3.34 132.00 124.53 1je3 h PRO 38 Ca -0.45 -0.19 -0.53 0.00 -0.87 0.00 0.00 66.00 63.96 1je3 h PRO 38 Cb 1.23 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 1je3 h PRO 38 CO 0.57 0.72 -1.06 0.66 -0.23 0.00 0.00 178.00 178.67 1je3 n TYR 39 N -4.21 0.56 0.00 1.56 4.02 -1.26 -5.01 117.16 112.82 1je3 n TYR 39 Ca 0.02 -3.75 0.00 0.00 -0.01 0.00 0.00 57.90 54.16 1je3 n TYR 39 Cb 0.31 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1je3 n PRO 40 N 0.79 0.00 0.00 -0.72 -0.04 -1.26 -4.78 135.00 128.99 1je3 n PRO 40 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1je3 n PRO 40 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 1.17 -0.35 0.55 0.00 -1.26 -2.84 120.51 114.78 1je3 n ALA 41 Ca 0.00 0.00 0.29 0.00 0.00 0.00 0.00 53.44 53.73 1je3 n ALA 41 Cb 0.00 -0.91 0.61 0.00 0.00 0.00 0.00 19.45 19.15 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 0.42 -0.18 0.00 3.04 -1.95 0.46 116.25 118.04 1je3 h VAL 42 Ca 0.00 -0.07 -0.21 0.00 -1.01 0.00 0.00 66.70 65.40 1je3 h VAL 42 Cb 0.04 0.19 0.01 0.00 -2.01 0.00 0.00 31.29 29.52 1je3 h VAL 42 CO 0.00 0.04 -0.73 0.00 -1.01 0.00 0.00 177.57 175.87 1je3 h ALA 43 N 1.54 0.36 -0.05 3.17 0.00 -1.86 -2.79 119.26 119.61 1je3 h ALA 43 Ca 0.62 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1je3 h ALA 43 Cb 1.94 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.65 1je3 h ALA 43 CO -0.21 0.69 -0.26 1.15 0.00 0.00 0.00 179.25 180.62 1je3 h THR 44 N 0.56 0.40 -0.86 0.00 2.02 -0.33 0.22 112.91 114.93 1je3 h THR 44 Ca -0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1je3 h THR 44 Cb 1.35 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1je3 h THR 44 CO 0.15 0.00 0.44 0.25 0.37 0.00 0.00 175.52 176.73 1je3 h LEU 45 N -0.37 1.10 -1.89 2.58 5.85 -1.54 -1.24 115.31 119.80 1je3 h LEU 45 Ca 0.08 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1je3 h LEU 45 Cb 0.48 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 1je3 h LEU 45 CO -0.26 0.91 -0.02 1.05 -0.34 0.00 0.00 178.44 179.77 1je3 h GLU 46 N 1.21 0.00 -0.01 1.25 -0.00 -1.10 -1.97 114.58 113.96 1je3 h GLU 46 Ca 0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.52 1je3 h GLU 46 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.81 1je3 h GLU 46 CO -0.04 0.02 -0.63 0.00 -0.00 0.00 0.00 179.01 178.36 1je3 h ALA 47 N 1.98 0.92 -0.30 1.06 0.00 0.66 -3.21 119.26 120.38 1je3 h ALA 47 Ca -0.00 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.40 1je3 h ALA 47 Cb 0.38 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1je3 h ALA 47 CO 0.00 0.78 -0.40 0.52 0.00 0.00 0.00 179.25 180.15 1je3 h MET 48 N 0.04 -0.36 -0.50 0.00 2.86 -1.23 0.14 114.93 115.89 1je3 h MET 48 Ca -0.01 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1je3 h MET 48 Cb 1.12 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1je3 h MET 48 CO 0.09 -0.24 0.23 -1.35 1.06 0.00 0.00 176.91 176.70 1je3 h PRO 49 N -0.37 0.73 -0.17 -0.22 0.11 -1.72 -1.82 132.00 128.54 1je3 h PRO 49 Ca 0.12 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1je3 h PRO 49 Cb 0.59 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1je3 h PRO 49 CO -0.50 0.62 0.00 1.04 -0.21 0.00 0.00 178.00 178.95 1je3 n GLN 50 N -4.59 0.66 -1.31 1.05 6.02 -0.63 -4.91 117.38 113.68 1je3 n GLN 50 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 1je3 n GLN 50 Cb 0.13 -1.08 0.01 0.00 1.02 0.00 0.00 30.24 30.31 1je3 n GLN 50 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1je3 n LEU 51 N -0.33 -2.63 0.00 1.08 0.00 0.40 -5.00 117.00 110.52 1je3 n LEU 51 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 56.01 56.68 1je3 n LEU 51 Cb 0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 43.42 42.54 1je3 n LEU 51 CO 0.00 -4.25 0.12 1.17 0.00 0.00 0.00 177.39 174.43 1je3 n LYS 52 N 1.21 0.40 -0.77 1.96 4.81 -1.26 -5.03 118.16 119.48 1je3 n LYS 52 Ca 0.10 -1.37 -0.15 0.00 -0.87 0.00 0.00 58.31 56.02 1je3 n LYS 52 Cb 0.44 1.38 0.08 0.00 0.02 0.00 0.00 35.03 36.96 1je3 n LYS 52 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1je3 n LYS 53 N -0.29 1.77 0.00 1.64 3.00 -1.26 -4.67 118.16 118.35 1je3 n LYS 53 Ca -0.01 -1.73 0.00 0.00 -0.00 0.00 0.00 58.31 56.57 1je3 n LYS 53 Cb 0.30 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.65 1je3 n LYS 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1je3 n GLY 54 N -0.26 -0.78 3.15 3.14 0.00 -1.26 -5.07 105.19 104.11 1je3 n GLY 54 Ca 0.34 0.88 -0.11 0.00 0.00 0.00 0.00 46.02 47.13 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 0.78 0.10 1.61 2.56 -1.25 -4.00 118.70 118.49 1je3 s GLU 55 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 54.97 53.47 1je3 s GLU 55 Cb 0.00 -0.21 0.07 0.00 2.00 0.00 0.00 34.13 35.99 1je3 s GLU 55 CO 0.00 -0.01 0.61 0.42 -0.56 0.00 0.00 175.26 175.72 1je3 s ILE 56 N -3.31 0.00 0.08 -3.70 1.01 0.20 -0.80 121.20 114.70 1je3 s ILE 56 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 1je3 s ILE 56 Cb 0.03 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1je3 s ILE 56 CO -0.04 -0.02 0.22 -0.22 0.00 0.00 0.00 174.94 174.89 1je3 s LEU 57 N -2.28 1.25 -0.06 2.97 2.96 0.15 0.16 118.68 123.83 1je3 s LEU 57 Ca -0.03 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1je3 s LEU 57 Cb -0.01 1.15 0.03 0.00 0.50 0.00 0.00 46.19 47.86 1je3 s LEU 57 CO -0.06 -0.72 0.13 -1.61 -1.32 0.00 0.00 176.35 172.78 1je3 s GLU 58 N -3.61 0.12 -0.07 1.98 2.02 -0.97 -3.07 118.70 115.10 1je3 s GLU 58 Ca 0.03 0.27 -0.00 0.00 0.02 0.00 0.00 54.97 55.29 1je3 s GLU 58 Cb 0.03 -0.06 0.02 0.00 0.10 0.00 0.00 34.13 34.23 1je3 s GLU 58 CO -0.10 -0.09 -0.03 0.08 0.02 0.00 0.00 175.26 175.14 1je3 s VAL 59 N 0.64 0.54 -0.40 2.63 1.01 0.32 -0.20 120.40 124.95 1je3 s VAL 59 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1je3 s VAL 59 Cb -0.06 -0.63 0.12 0.00 0.00 0.00 0.00 36.38 35.81 1je3 s VAL 59 CO -0.03 0.26 0.17 -0.69 0.00 0.00 0.00 175.10 174.81 1je3 s VAL 60 N 1.50 1.55 0.25 2.92 1.01 0.27 -0.70 120.40 127.20 1je3 s VAL 60 Ca -0.02 -2.29 0.01 0.00 0.00 0.00 0.00 61.98 59.68 1je3 s VAL 60 Cb -0.13 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1je3 s VAL 60 CO -0.03 -0.77 0.11 -0.94 0.00 0.00 0.00 175.10 173.46 1je3 s SER 61 N 0.72 1.04 -0.15 3.32 1.04 -1.03 -0.67 113.70 117.97 1je3 s SER 61 Ca 0.14 -1.39 0.01 0.00 0.48 0.00 0.00 55.95 55.19 1je3 s SER 61 Cb -0.22 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1je3 s SER 61 CO -0.08 -0.76 -0.18 -0.62 0.98 0.00 0.00 173.24 172.58 1je3 s ASP 62 N -3.29 3.44 -0.14 7.02 2.15 -1.15 -2.39 116.67 122.30 1je3 s ASP 62 Ca 0.38 -0.53 -0.04 0.00 0.43 0.00 0.00 52.55 52.79 1je3 s ASP 62 Cb 0.08 -1.52 0.07 0.00 -0.30 0.00 0.00 42.92 41.24 1je3 s ASP 62 CO 0.14 0.07 0.20 0.00 -0.17 0.00 0.00 175.17 175.41 1je3 h PRO 64 N 8.33 0.05 0.00 0.00 0.11 -1.99 -3.43 132.00 135.08 1je3 h PRO 64 Ca -0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1je3 h PRO 64 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1je3 h PRO 64 CO 0.19 0.03 0.00 1.04 -0.21 0.00 0.00 178.00 179.05 1je3 n GLN 65 N -4.50 0.62 -0.00 1.05 6.02 -1.26 -5.04 117.38 114.27 1je3 n GLN 65 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1je3 n GLN 65 Cb 0.21 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.47 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 -0.95 4.77 -4.68 1.08 7.64 -1.26 -5.02 113.62 115.19 1je3 n SER 66 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 1je3 n SER 66 Cb 0.00 0.83 -0.04 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.75 0.45 -2.69 0.44 -0.00 -1.26 -4.93 119.36 109.63 1je3 n ILE 67 Ca -0.01 -0.08 -0.43 0.00 -0.00 0.00 0.00 62.75 62.24 1je3 n ILE 67 Cb 0.24 -1.89 -0.02 0.00 -0.00 0.00 0.00 39.64 37.96 1je3 n ILE 67 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1je3 s ASN 68 N 3.26 7.21 0.00 4.38 -0.87 -1.26 -5.01 114.94 122.66 1je3 s ASN 68 Ca 0.88 1.49 0.00 0.00 -1.57 0.00 0.00 52.86 53.66 1je3 s ASN 68 Cb -0.63 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.05 1je3 s ASN 68 CO 0.46 -0.48 0.04 -3.20 -2.57 0.00 0.00 177.10 171.34 1je3 n ASN 69 N 5.24 0.00 -0.18 -1.22 4.05 -1.26 -3.44 115.26 118.44 1je3 n ASN 69 Ca 0.09 0.04 -0.06 0.00 0.45 0.00 0.00 54.58 55.10 1je3 n ASN 69 Cb 0.48 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.49 1je3 n ASN 69 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1je3 h ILE 70 N 0.00 0.19 -0.04 -1.44 1.08 -1.95 -0.33 117.51 115.02 1je3 h ILE 70 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1je3 h ILE 70 Cb 0.00 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1je3 h ILE 70 CO 0.00 0.00 0.04 1.55 -0.69 0.00 0.00 178.15 179.05 1je3 h PRO 71 N -0.18 0.00 -0.58 2.37 0.13 -1.96 -1.94 132.00 129.84 1je3 h PRO 71 Ca 0.22 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.27 1je3 h PRO 71 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1je3 h PRO 71 CO -0.64 0.00 0.03 1.25 -0.23 0.00 0.00 178.00 178.41 1je3 h LEU 72 N 0.00 0.94 -0.04 1.56 5.85 -1.08 0.17 115.31 122.71 1je3 h LEU 72 Ca 0.02 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1je3 h LEU 72 Cb 0.09 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1je3 h LEU 72 CO -0.00 0.99 0.03 0.44 -0.34 0.00 0.00 178.44 179.55 1je3 h ASP 73 N 0.91 0.05 0.74 1.25 5.19 -1.27 0.79 116.42 124.07 1je3 h ASP 73 Ca 0.17 -0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 56.47 1je3 h ASP 73 Cb 0.49 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1je3 h ASP 73 CO 0.02 0.07 -0.41 0.00 -3.12 0.00 0.00 179.24 175.80 1je3 h ALA 74 N 0.99 1.04 -0.13 3.45 0.00 -1.52 -2.98 119.26 120.11 1je3 h ALA 74 Ca 0.02 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1je3 h ALA 74 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1je3 h ALA 74 CO -0.00 0.51 -0.61 -0.09 0.00 0.00 0.00 179.25 179.06 1je3 h ARG 75 N 0.00 0.43 0.49 0.00 2.43 -0.19 -0.16 114.38 117.37 1je3 h ARG 75 Ca -0.00 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.85 1je3 h ARG 75 Cb 0.89 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1je3 h ARG 75 CO 0.05 0.91 -0.23 -0.97 -1.51 0.00 0.00 179.97 178.22 1je3 h ASN 76 N 0.32 -0.55 0.20 -3.80 -0.00 -0.70 -3.17 115.58 107.88 1je3 h ASN 76 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.26 1je3 h ASN 76 Cb 1.15 0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 39.60 1je3 h ASN 76 CO 0.11 -0.35 -0.22 -0.74 -0.00 0.00 0.00 177.43 176.23 1je3 h HIS 77 N -0.75 0.04 -1.82 0.67 2.76 -1.66 -3.48 115.15 110.91 1je3 h HIS 77 Ca -0.07 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1je3 h HIS 77 Cb 0.50 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1je3 h HIS 77 CO 0.08 0.26 0.00 0.41 -1.30 0.00 0.00 177.93 177.38 1je3 n GLY 78 N -0.86 -1.73 0.00 5.26 0.00 -0.13 -5.11 105.19 102.62 1je3 n GLY 78 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.27 0.00 0.01 1.61 4.19 -0.87 -5.02 117.16 117.35 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 0.04 -4.06 2.97 -1.04 -1.26 -5.09 114.28 105.83 1je3 n THR 80 Ca 0.00 0.01 -0.29 0.00 -2.04 0.00 0.00 64.05 61.74 1je3 n THR 80 Cb 0.00 -0.38 -0.17 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.10 1.39 -0.29 12.58 1.01 -0.88 -5.02 120.40 128.10 1je3 s VAL 81 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1je3 s VAL 81 Cb 0.00 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 35.14 1je3 s VAL 81 CO 0.00 0.43 -0.00 -0.76 0.00 0.00 0.00 175.10 174.76 1je3 s LEU 82 N 1.46 3.51 0.11 3.92 2.01 -1.26 -2.18 118.68 126.24 1je3 s LEU 82 Ca 0.03 -1.65 0.04 0.00 0.01 0.00 0.00 54.13 52.55 1je3 s LEU 82 Cb -0.13 -1.37 -0.04 0.00 0.01 0.00 0.00 46.19 44.66 1je3 s LEU 82 CO -0.08 -0.31 -0.10 1.51 1.01 0.00 0.00 176.35 178.38 1je3 s ASP 83 N 1.19 1.51 0.25 2.29 -4.77 -0.88 -5.05 116.67 111.21 1je3 s ASP 83 Ca 0.02 -0.88 0.02 0.00 -3.30 0.00 0.00 52.55 48.41 1je3 s ASP 83 Cb -0.19 0.01 -0.04 0.00 -1.09 0.00 0.00 42.92 41.62 1je3 s ASP 83 CO -0.09 -0.30 0.17 0.27 0.70 0.00 0.00 175.17 175.92 1je3 s ILE 84 N -2.79 0.06 0.16 2.11 -4.36 -1.26 -1.50 121.20 113.63 1je3 s ILE 84 Ca 0.09 -2.00 -0.16 0.00 -0.26 0.00 0.00 60.65 58.32 1je3 s ILE 84 Cb -0.01 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.23 1je3 s ILE 84 CO -0.00 0.00 0.45 -1.10 0.24 0.00 0.00 174.94 174.53 1je3 s GLN 85 N -3.91 1.23 0.00 0.37 -0.21 0.60 -4.98 119.66 112.77 1je3 s GLN 85 Ca 0.39 -0.82 -0.06 0.00 0.02 0.00 0.00 55.36 54.89 1je3 s GLN 85 Cb 0.05 0.49 -0.00 0.00 1.00 0.00 0.00 33.01 34.55 1je3 s GLN 85 CO 0.17 -0.50 0.11 -1.14 -2.12 0.00 0.00 175.29 171.82 1je3 s GLN 86 N -3.85 0.44 0.00 2.91 0.74 -1.26 -1.65 119.66 116.99 1je3 s GLN 86 Ca 0.07 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.08 1je3 s GLN 86 Cb 0.01 0.18 0.00 0.00 1.10 0.00 0.00 33.01 34.30 1je3 s GLN 86 CO -0.07 -0.10 0.00 -0.25 -0.55 0.00 0.00 175.29 174.32 1je3 n ASP 87 N 1.55 0.00 0.00 6.67 8.00 -1.21 -5.00 116.55 126.56 1je3 n ASP 87 Ca -0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1je3 n ASP 87 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 4.02 0.29 0.20 0.44 0.00 -1.26 -4.95 105.19 103.94 1je3 n GLY 88 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.18 1.15 -4.34 1.61 -0.04 -1.26 -4.89 135.00 127.05 1je3 n PRO 89 Ca 0.00 -0.40 -0.19 0.00 -0.04 0.00 0.00 63.50 62.86 1je3 n PRO 89 Cb 0.00 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.13 0.25 -0.06 0.52 -4.23 -1.26 -4.83 115.64 103.90 1je3 s THR 90 Ca 0.39 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.81 1je3 s THR 90 Cb 0.21 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1je3 s THR 90 CO 0.39 0.00 0.23 -0.51 -0.54 0.00 0.00 174.62 174.19 1je3 s ILE 91 N -3.55 0.03 -0.05 2.99 2.07 -1.01 -3.30 121.20 118.38 1je3 s ILE 91 Ca 0.36 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1je3 s ILE 91 Cb 0.04 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 1je3 s ILE 91 CO 0.19 -0.11 -0.20 -0.60 -1.91 0.00 0.00 174.94 172.31 1je3 s ARG 92 N -0.39 2.09 0.05 3.50 3.52 -0.66 -2.47 118.95 124.59 1je3 s ARG 92 Ca -0.05 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 54.90 1je3 s ARG 92 Cb -0.03 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 1je3 s ARG 92 CO 0.01 0.29 -0.22 0.71 -0.81 0.00 0.00 175.30 175.29 1je3 s TYR 93 N -0.03 1.94 -0.05 5.12 1.51 0.12 -0.29 117.35 125.66 1je3 s TYR 93 Ca -0.04 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 1je3 s TYR 93 Cb -0.12 -1.14 0.05 0.00 -0.11 0.00 0.00 41.96 40.63 1je3 s TYR 93 CO 0.03 0.12 0.48 -0.48 -1.11 0.00 0.00 175.55 174.59 1je3 s LEU 94 N -1.28 0.15 0.12 -1.29 2.34 -0.56 0.12 118.68 118.28 1je3 s LEU 94 Ca 0.09 0.47 0.05 0.00 0.06 0.00 0.00 54.13 54.79 1je3 s LEU 94 Cb -0.09 1.83 -0.04 0.00 -0.56 0.00 0.00 46.19 47.33 1je3 s LEU 94 CO 0.02 -0.47 -0.11 0.27 -1.06 0.00 0.00 176.35 175.00 1je3 s ILE 95 N -1.05 1.12 0.35 1.48 -5.25 -1.17 -2.08 121.20 114.60 1je3 s ILE 95 Ca -0.11 -1.83 -0.03 0.00 -0.99 0.00 0.00 60.65 57.70 1je3 s ILE 95 Cb -0.03 -1.60 0.01 0.00 2.95 0.00 0.00 42.46 43.79 1je3 s ILE 95 CO 0.06 -0.60 0.49 0.00 -1.79 0.00 0.00 174.94 173.10 1je3 s GLN 96 N -3.16 1.94 0.00 0.37 -2.07 -0.93 0.32 119.66 116.14 1je3 s GLN 96 Ca 0.11 -1.76 0.00 0.00 -1.82 0.00 0.00 55.36 51.89 1je3 s GLN 96 Cb -0.01 0.45 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 1je3 s GLN 96 CO 0.01 -0.81 0.03 1.17 -1.32 0.00 0.00 175.29 174.37