#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 4.89 0.00 3.03 0.00 -1.26 -4.72 105.19 107.13 1je3 n GLY 2 Ca 0.00 -2.35 0.14 0.00 0.00 0.00 0.00 46.02 43.81 1je3 n GLY 2 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1je3 n SER 3 N 2.81 0.00 -4.86 1.61 2.88 -1.26 -4.83 113.62 109.97 1je3 n SER 3 Ca 0.33 -0.51 -0.30 0.00 -1.33 0.00 0.00 58.87 57.07 1je3 n SER 3 Cb 0.35 -0.14 0.07 0.00 -0.75 0.00 0.00 64.21 63.75 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 -2.28 4.86 0.00 -3.46 1.04 -1.26 -5.05 113.70 107.55 1je3 s SER 4 Ca 0.35 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.84 1je3 s SER 4 Cb 0.19 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.56 1je3 s SER 4 CO 0.37 -1.71 0.00 1.41 0.98 0.00 0.00 173.24 174.30 1je3 n HIS 5 N -3.23 0.00 -4.28 5.02 -0.00 -1.26 -5.14 115.22 106.32 1je3 n HIS 5 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.64 1je3 n HIS 5 Cb 0.58 0.07 -0.10 0.00 -0.00 0.00 0.00 29.99 30.54 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 -0.52 1.38 -0.20 4.41 -0.00 -1.26 -5.15 115.29 113.96 1je3 s HIS 6 Ca 0.00 -1.08 -0.08 0.00 -0.00 0.00 0.00 55.06 53.90 1je3 s HIS 6 Cb 0.00 -0.80 -0.04 0.00 -0.00 0.00 0.00 32.58 31.74 1je3 s HIS 6 CO 0.00 -0.25 0.08 -1.58 -0.00 0.00 0.00 174.74 173.00 1je3 s HIS 7 N -3.68 3.26 -0.70 0.38 5.65 -1.26 -5.05 115.29 113.90 1je3 s HIS 7 Ca 0.30 0.07 -0.27 0.00 0.25 0.00 0.00 55.06 55.41 1je3 s HIS 7 Cb 0.07 -2.13 0.03 0.00 -1.18 0.00 0.00 32.58 29.37 1je3 s HIS 7 CO 0.08 0.10 1.28 -1.58 -0.65 0.00 0.00 174.74 173.98 1je3 s HIS 8 N 0.59 2.34 -0.30 3.88 2.46 -1.26 -4.84 115.29 118.16 1je3 s HIS 8 Ca 0.04 0.09 0.08 0.00 0.47 0.00 0.00 55.06 55.74 1je3 s HIS 8 Cb -0.13 -4.59 0.47 0.00 -0.13 0.00 0.00 32.58 28.20 1je3 s HIS 8 CO 0.01 -1.97 1.37 1.58 -2.47 0.00 0.00 174.74 173.25 1je3 n HIS 9 N 9.26 1.51 -3.58 3.88 -0.00 -1.26 -4.93 115.22 120.09 1je3 n HIS 9 Ca 0.05 -1.89 -0.40 0.00 -0.00 0.00 0.00 57.72 55.47 1je3 n HIS 9 Cb 0.49 -0.47 -0.08 0.00 -0.00 0.00 0.00 29.99 29.94 1je3 n HIS 9 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1je3 s HIS 10 N -3.41 3.50 -0.27 1.57 5.04 -1.26 -4.82 115.29 115.63 1je3 s HIS 10 Ca 0.47 -2.22 0.08 0.00 -1.54 0.00 0.00 55.06 51.85 1je3 s HIS 10 Cb 0.41 -3.44 -0.11 0.00 0.04 0.00 0.00 32.58 29.48 1je3 s HIS 10 CO -0.01 -0.94 0.30 0.43 -2.34 0.00 0.00 174.74 172.18 1je3 n SER 11 N 4.25 1.24 -4.60 9.88 7.64 -1.26 -4.96 113.62 125.81 1je3 n SER 11 Ca 0.02 -0.47 -0.43 0.00 1.01 0.00 0.00 58.87 58.99 1je3 n SER 11 Cb 0.41 1.13 -0.03 0.00 -1.01 0.00 0.00 64.21 64.71 1je3 n SER 11 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1je3 s SER 12 N -2.18 5.96 -0.48 6.43 1.04 -1.26 -4.89 113.70 118.32 1je3 s SER 12 Ca 0.01 1.25 0.04 0.00 0.48 0.00 0.00 55.95 57.73 1je3 s SER 12 Cb 0.06 -2.53 0.41 0.00 0.10 0.00 0.00 66.02 64.06 1je3 s SER 12 CO 0.35 -1.67 1.19 0.61 0.98 0.00 0.00 173.24 174.70 1je3 n GLY 13 N 5.37 5.96 3.12 7.32 0.00 -1.26 -4.95 105.19 120.74 1je3 n GLY 13 Ca 0.22 -2.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.12 1je3 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1je3 s LEU 14 N -3.59 5.37 0.21 0.99 1.02 -1.26 -5.07 118.68 116.35 1je3 s LEU 14 Ca 0.48 -2.71 -0.32 0.00 0.02 0.00 0.00 54.13 51.61 1je3 s LEU 14 Cb 0.40 -1.88 -0.13 0.00 0.02 0.00 0.00 46.19 44.60 1je3 s LEU 14 CO -0.21 -0.42 1.62 1.33 0.02 0.00 0.00 176.35 178.70 1je3 n VAL 15 N 3.71 0.28 -1.93 -1.59 0.24 -1.26 -4.92 118.33 112.87 1je3 n VAL 15 Ca 0.06 -0.07 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 1je3 n VAL 15 Cb 0.39 -1.79 -0.02 0.00 -1.47 0.00 0.00 33.84 30.95 1je3 n VAL 15 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1je3 s PRO 16 N 0.63 4.22 -0.99 7.34 0.04 -1.26 -4.95 135.00 140.02 1je3 s PRO 16 Ca 0.74 2.40 -0.14 0.00 0.04 0.00 0.00 61.00 64.03 1je3 s PRO 16 Cb -0.57 -3.08 0.20 0.00 0.04 0.00 0.00 34.50 31.09 1je3 s PRO 16 CO 0.39 -0.49 1.07 1.03 0.04 0.00 0.00 177.00 179.03 1je3 s ARG 17 N -0.45 3.82 0.26 4.56 1.81 -1.26 -5.03 118.95 122.66 1je3 s ARG 17 Ca 0.61 -2.45 -0.29 0.00 -1.72 0.00 0.00 55.73 51.87 1je3 s ARG 17 Cb -0.44 -4.71 -0.09 0.00 -0.45 0.00 0.00 34.95 29.26 1je3 s ARG 17 CO 0.45 -1.50 0.96 0.20 -0.68 0.00 0.00 175.30 174.73 1je3 s GLY 18 N 2.52 3.08 -0.02 -3.53 0.00 -1.26 -4.95 107.32 103.15 1je3 s GLY 18 Ca 0.29 0.65 0.07 0.00 0.00 0.00 0.00 44.72 45.73 1je3 s GLY 18 CO -0.07 1.21 1.14 -1.14 0.00 0.00 0.00 173.10 174.24 1je3 n SER 19 N 1.34 2.52 -4.27 1.64 3.41 -1.26 -5.03 113.62 111.98 1je3 n SER 19 Ca -0.01 -2.17 -0.14 0.00 -0.26 0.00 0.00 58.87 56.28 1je3 n SER 19 Cb 0.47 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 1je3 n SER 19 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1je3 s HIS 20 N -1.29 1.34 -0.35 7.33 3.76 -1.26 -5.09 115.29 119.73 1je3 s HIS 20 Ca 0.15 -1.18 0.15 0.00 -0.15 0.00 0.00 55.06 54.03 1je3 s HIS 20 Cb 0.09 -0.76 0.43 0.00 1.11 0.00 0.00 32.58 33.46 1je3 s HIS 20 CO 0.07 -0.37 0.93 0.00 -0.85 0.00 0.00 174.74 174.53 1je3 n MET 21 N -0.35 1.45 -0.27 1.40 0.00 -1.26 -4.87 117.12 113.22 1je3 n MET 21 Ca -0.02 -3.47 0.06 0.00 0.00 0.00 0.00 57.70 54.27 1je3 n MET 21 Cb 0.65 -1.47 0.18 0.00 0.00 0.00 0.00 33.22 32.59 1je3 n MET 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1je3 n LYS 22 N -0.06 2.22 -1.97 3.17 5.02 -1.26 -4.48 118.16 120.81 1je3 n LYS 22 Ca 0.16 -1.48 -0.37 0.00 -2.02 0.00 0.00 58.31 54.60 1je3 n LYS 22 Cb 0.76 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.29 1je3 n LYS 22 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1je3 n ASN 23 N 0.56 7.60 -0.05 4.39 3.02 -1.26 -4.61 115.26 124.91 1je3 n ASN 23 Ca 0.14 -3.26 -0.02 0.00 -0.03 0.00 0.00 54.58 51.41 1je3 n ASN 23 Cb 0.45 -1.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.31 1je3 n ASN 23 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1je3 h ILE 24 N 2.39 0.00 -3.36 2.41 2.04 -2.02 -3.46 117.51 115.51 1je3 h ILE 24 Ca 0.61 -0.83 -0.66 0.00 1.00 0.00 0.00 64.86 64.99 1je3 h ILE 24 Cb 0.38 0.00 -0.27 0.00 -0.74 0.00 0.00 36.82 36.19 1je3 h ILE 24 CO 1.30 0.00 -0.73 0.68 0.00 0.00 0.00 178.15 179.40 1je3 s VAL 25 N -1.78 3.29 0.00 1.67 -7.23 -1.26 -4.81 120.40 110.28 1je3 s VAL 25 Ca -0.07 -0.53 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1je3 s VAL 25 Cb 0.01 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.48 1je3 s VAL 25 CO 0.10 0.45 0.27 -2.65 -0.31 0.00 0.00 175.10 172.97 1je3 n PRO 26 N 4.47 0.00 -2.95 4.82 -0.02 -1.26 -4.89 135.00 135.17 1je3 n PRO 26 Ca -0.18 0.17 -0.10 0.00 -2.02 0.00 0.00 63.50 61.37 1je3 n PRO 26 Cb 0.51 -0.77 0.01 0.00 -0.02 0.00 0.00 33.50 33.23 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 -0.45 -7.69 -4.72 2.55 2.03 0.32 -4.87 116.55 103.72 1je3 n ASP 27 Ca 0.00 0.37 -0.35 0.00 0.52 0.00 0.00 54.79 55.33 1je3 n ASP 27 Cb 0.00 -5.02 -0.09 0.00 -0.72 0.00 0.00 41.12 35.29 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 -2.58 3.32 -0.14 -0.67 2.02 -1.18 -4.83 117.35 113.30 1je3 s TYR 28 Ca 0.22 0.25 -0.06 0.00 -0.37 0.00 0.00 57.07 57.12 1je3 s TYR 28 Cb -0.06 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1je3 s TYR 28 CO 0.78 0.44 0.07 -0.98 -1.57 0.00 0.00 175.55 174.29 1je3 s ARG 29 N -0.50 3.54 -0.54 -0.62 3.03 -1.24 0.12 118.95 122.75 1je3 s ARG 29 Ca 0.10 -0.30 0.04 0.00 2.03 0.00 0.00 55.73 57.60 1je3 s ARG 29 Cb -0.12 -3.09 0.17 0.00 -1.03 0.00 0.00 34.95 30.88 1je3 s ARG 29 CO 0.02 0.54 0.39 -1.17 -1.13 0.00 0.00 175.30 173.96 1je3 s LEU 30 N -0.39 2.97 -1.03 -1.89 1.98 0.08 -4.98 118.68 115.41 1je3 s LEU 30 Ca 0.09 -3.35 -0.04 0.00 -2.89 0.00 0.00 54.13 47.95 1je3 s LEU 30 Cb -0.12 -1.00 0.30 0.00 0.66 0.00 0.00 46.19 46.03 1je3 s LEU 30 CO 0.02 -0.14 1.33 0.47 -1.89 0.00 0.00 176.35 176.14 1je3 n ASP 31 N 2.55 5.95 0.00 3.68 8.00 -1.25 -0.55 116.55 134.94 1je3 n ASP 31 Ca 0.23 -3.36 0.00 0.00 0.71 0.00 0.00 54.79 52.37 1je3 n ASP 31 Cb 0.41 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1je3 n ASP 31 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1je3 n MET 32 N 1.48 0.00 -4.17 -1.24 2.81 -0.58 -4.91 117.12 110.51 1je3 n MET 32 Ca 0.26 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.96 1je3 n MET 32 Cb 0.35 0.00 -0.16 0.00 -0.71 0.00 0.00 33.22 32.70 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 2.20 0.50 -0.45 2.03 1.01 -1.26 -3.01 120.40 121.42 1je3 s VAL 33 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 1je3 s VAL 33 Cb 0.00 -0.49 -0.08 0.00 0.00 0.00 0.00 36.38 35.81 1je3 s VAL 33 CO 0.00 0.19 2.37 0.61 0.00 0.00 0.00 175.10 178.27 1je3 n GLY 34 N 3.65 0.37 3.18 4.51 0.00 -1.17 -4.86 105.19 110.87 1je3 n GLY 34 Ca -0.21 0.75 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 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 7.68 2.20 0.34 1.61 2.12 -1.26 -4.88 118.70 126.51 1je3 s GLU 35 Ca 1.03 -0.72 0.13 0.00 0.36 0.00 0.00 54.97 55.77 1je3 s GLU 35 Cb -0.35 -1.83 0.62 0.00 0.26 0.00 0.00 34.13 32.82 1je3 s GLU 35 CO 0.32 0.25 1.75 -1.35 -0.54 0.00 0.00 175.26 175.69 1je3 h PRO 36 N 6.35 0.00 -6.79 4.30 0.11 -1.93 -3.44 132.00 130.60 1je3 h PRO 36 Ca -0.30 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.24 1je3 h PRO 36 Cb 1.19 0.00 0.13 0.00 0.11 0.00 0.00 31.00 32.43 1je3 h PRO 36 CO 0.47 0.45 0.36 0.00 -0.21 0.00 0.00 178.00 179.07 1je3 s PRO 38 N -2.27 3.00 0.11 0.00 0.04 -1.26 -4.24 135.00 130.38 1je3 s PRO 38 Ca 0.64 -1.34 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1je3 s PRO 38 Cb -0.51 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 28.71 1je3 s PRO 38 CO 0.56 -3.34 0.00 0.98 0.04 0.00 0.00 177.00 175.24 1je3 n TYR 39 N 12.31 -1.00 0.00 0.56 4.19 -1.26 -4.89 117.16 127.07 1je3 n TYR 39 Ca 0.45 0.18 0.00 0.00 3.31 0.00 0.00 57.90 61.84 1je3 n TYR 39 Cb 0.47 0.55 0.00 0.00 0.49 0.00 0.00 39.34 40.85 1je3 n TYR 39 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1je3 n PRO 40 N -2.86 0.00 0.00 2.98 -0.04 -1.26 -3.78 135.00 130.04 1je3 n PRO 40 Ca 0.00 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 1je3 n PRO 40 Cb 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.66 1.39 -0.06 0.55 0.00 -1.26 -3.04 120.51 116.43 1je3 n ALA 41 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 1je3 n ALA 41 Cb 0.00 -0.93 0.71 0.00 0.00 0.00 0.00 19.45 19.24 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 0.60 -0.07 0.00 2.07 -1.90 0.51 116.25 117.45 1je3 h VAL 42 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1je3 h VAL 42 Cb 0.00 0.65 -0.01 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 1.62 0.69 0.18 1.67 0.00 -1.83 -2.58 119.26 119.02 1je3 h ALA 43 Ca 0.31 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1je3 h ALA 43 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1je3 h ALA 43 CO -0.00 0.76 -0.09 1.15 0.00 0.00 0.00 179.25 181.07 1je3 h THR 44 N 0.23 0.91 0.73 0.00 2.02 -0.26 -1.61 112.91 114.93 1je3 h THR 44 Ca -0.02 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1je3 h THR 44 Cb 1.23 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1je3 h THR 44 CO 0.11 0.10 -0.35 -0.07 0.37 0.00 0.00 175.52 175.68 1je3 h LEU 45 N -0.45 -0.82 -0.98 2.58 3.38 -1.44 -2.83 115.31 114.74 1je3 h LEU 45 Ca -0.02 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.17 1je3 h LEU 45 Cb 0.35 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.20 1je3 h LEU 45 CO 0.04 -0.55 0.56 1.05 0.09 0.00 0.00 178.44 179.63 1je3 h GLU 46 N -1.04 0.63 -0.83 1.13 4.11 -1.54 0.12 114.58 117.17 1je3 h GLU 46 Ca -0.10 -0.04 0.14 0.00 0.07 0.00 0.00 59.36 59.43 1je3 h GLU 46 Cb 0.76 -0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.72 1je3 h GLU 46 CO 0.16 0.42 -0.33 0.00 0.07 0.00 0.00 179.01 179.33 1je3 h ALA 47 N 1.67 0.18 -2.68 1.06 0.00 -1.03 -3.26 119.26 115.20 1je3 h ALA 47 Ca 0.59 0.25 -0.51 0.00 0.00 0.00 0.00 54.91 55.24 1je3 h ALA 47 Cb 1.00 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 1je3 h ALA 47 CO -0.43 -0.59 0.42 -1.64 0.00 0.00 0.00 179.25 177.02 1je3 s MET 48 N -6.03 4.68 -0.01 0.00 -1.94 0.42 0.29 119.30 116.72 1je3 s MET 48 Ca -0.14 1.62 0.04 0.00 -1.71 0.00 0.00 55.69 55.50 1je3 s MET 48 Cb 0.20 -3.29 0.11 0.00 2.01 0.00 0.00 34.83 33.87 1je3 s MET 48 CO 0.72 0.23 1.04 -0.35 -0.01 0.00 0.00 175.02 176.64 1je3 n PRO 49 N 2.08 1.34 0.00 2.03 -0.04 -1.26 -4.90 135.00 134.26 1je3 n PRO 49 Ca 0.01 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1je3 n PRO 49 Cb 0.47 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1je3 n PRO 49 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1je3 n GLN 50 N -0.10 0.65 0.00 0.54 1.13 0.84 -4.81 117.38 115.63 1je3 n GLN 50 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1je3 n GLN 50 Cb 0.15 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.26 1je3 n GLN 50 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1je3 n LEU 51 N 0.47 0.00 0.00 1.08 -0.00 0.20 -4.87 117.00 113.88 1je3 n LEU 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1je3 n LEU 51 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.68 1je3 n LEU 51 CO 0.00 -0.18 0.00 1.17 -0.00 0.00 0.00 177.39 178.38 1je3 n LYS 52 N 0.00 0.00 -0.72 1.47 0.00 -1.26 -5.02 118.16 112.63 1je3 n LYS 52 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 1je3 n LYS 52 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.13 1je3 n LYS 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1je3 n LYS 53 N 0.00 1.73 0.00 1.64 5.02 -1.26 -4.53 118.16 120.76 1je3 n LYS 53 Ca 0.00 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 1je3 n LYS 53 Cb 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 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 -0.45 -1.26 3.88 0.72 0.00 -1.26 -5.05 105.19 101.77 1je3 n GLY 54 Ca 0.35 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.58 1je3 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1je3 s GLU 55 N 0.00 1.52 0.16 1.61 1.03 -1.25 -4.67 118.70 117.10 1je3 s GLU 55 Ca 0.00 0.06 -0.17 0.00 0.03 0.00 0.00 54.97 54.89 1je3 s GLU 55 Cb 0.00 -1.90 0.03 0.00 -0.80 0.00 0.00 34.13 31.46 1je3 s GLU 55 CO 0.00 -1.89 0.47 0.42 -1.33 0.00 0.00 175.26 172.93 1je3 s ILE 56 N -3.56 0.04 0.18 1.83 1.01 -1.26 -0.03 121.20 119.42 1je3 s ILE 56 Ca 0.64 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 1je3 s ILE 56 Cb -0.11 -1.37 0.06 0.00 0.01 0.00 0.00 42.46 41.06 1je3 s ILE 56 CO 0.51 -0.20 0.61 -0.22 0.00 0.00 0.00 174.94 175.64 1je3 s LEU 57 N -2.84 -0.45 -0.13 2.97 2.96 0.94 0.12 118.68 122.25 1je3 s LEU 57 Ca 0.06 -0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.74 1je3 s LEU 57 Cb 0.00 2.58 0.05 0.00 0.50 0.00 0.00 46.19 49.32 1je3 s LEU 57 CO -0.07 -1.04 0.33 -1.83 -1.32 0.00 0.00 176.35 172.42 1je3 s GLU 58 N -3.79 0.33 -0.02 1.98 -1.05 0.12 -3.12 118.70 113.14 1je3 s GLU 58 Ca 0.03 0.60 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 1je3 s GLU 58 Cb -0.02 0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.70 1je3 s GLU 58 CO -0.09 -0.13 0.01 0.08 0.95 0.00 0.00 175.26 176.09 1je3 s VAL 59 N 0.98 0.03 -0.32 1.83 1.01 0.91 -0.74 120.40 124.09 1je3 s VAL 59 Ca -0.07 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1je3 s VAL 59 Cb -0.07 -0.13 0.11 0.00 0.00 0.00 0.00 36.38 36.29 1je3 s VAL 59 CO -0.07 0.09 0.14 -0.69 0.00 0.00 0.00 175.10 174.56 1je3 s VAL 60 N 0.81 0.53 0.26 2.92 1.01 0.29 -1.04 120.40 125.18 1je3 s VAL 60 Ca -0.07 -1.35 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1je3 s VAL 60 Cb -0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1je3 s VAL 60 CO -0.02 -0.76 0.12 -0.44 0.00 0.00 0.00 175.10 174.00 1je3 s SER 61 N 1.57 1.08 -0.04 3.32 0.01 -0.74 -1.52 113.70 117.37 1je3 s SER 61 Ca 0.11 -1.43 0.06 0.00 1.31 0.00 0.00 55.95 56.01 1je3 s SER 61 Cb -0.18 0.26 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 1je3 s SER 61 CO -0.23 -0.79 -0.22 1.51 0.41 0.00 0.00 173.24 173.92 1je3 s ASP 62 N -3.30 3.35 -0.27 2.44 1.47 -1.16 -1.91 116.67 117.29 1je3 s ASP 62 Ca 0.38 -0.40 -0.18 0.00 1.18 0.00 0.00 52.55 53.52 1je3 s ASP 62 Cb 0.07 -0.65 0.08 0.00 -0.34 0.00 0.00 42.92 42.07 1je3 s ASP 62 CO 0.14 0.30 0.68 0.00 0.68 0.00 0.00 175.17 176.97 1je3 h PRO 64 N 6.41 0.11 0.00 0.00 0.11 -1.98 -3.43 132.00 133.23 1je3 h PRO 64 Ca -0.30 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.76 1je3 h PRO 64 Cb 1.21 -0.02 0.02 0.00 0.11 0.00 0.00 31.00 32.31 1je3 h PRO 64 CO 0.14 0.16 0.04 1.04 -0.21 0.00 0.00 178.00 179.16 1je3 n GLN 65 N -4.43 -0.04 -0.00 1.05 6.02 -1.26 -5.03 117.38 113.68 1je3 n GLN 65 Ca -0.02 -0.20 0.04 0.00 -0.01 0.00 0.00 57.00 56.82 1je3 n GLN 65 Cb 0.15 -0.12 -0.06 0.00 1.02 0.00 0.00 30.24 31.24 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 -3.07 2.30 -4.76 1.08 7.64 -1.26 -5.01 113.62 110.54 1je3 n SER 66 Ca 0.02 -0.20 -0.41 0.00 1.01 0.00 0.00 58.87 59.28 1je3 n SER 66 Cb 0.05 1.27 -0.02 0.00 -1.01 0.00 0.00 64.21 64.50 1je3 n SER 66 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1je3 s ILE 67 N -2.34 2.76 -0.22 0.44 1.09 -1.26 -5.01 121.20 116.66 1je3 s ILE 67 Ca -0.01 0.70 -0.10 0.00 -1.10 0.00 0.00 60.65 60.13 1je3 s ILE 67 Cb 0.06 -3.44 -0.05 0.00 -1.06 0.00 0.00 42.46 37.96 1je3 s ILE 67 CO 0.34 0.14 0.14 0.20 -0.10 0.00 0.00 174.94 175.67 1je3 s ASN 68 N -0.07 6.14 -0.04 3.58 0.01 -1.26 -5.02 114.94 118.27 1je3 s ASN 68 Ca 0.54 0.16 -0.16 0.00 -0.71 0.00 0.00 52.86 52.69 1je3 s ASN 68 Cb -0.40 -2.09 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 1je3 s ASN 68 CO 0.48 0.12 0.66 -0.55 -1.51 0.00 0.00 177.10 176.29 1je3 h ASN 69 N 7.15 -0.38 0.19 -1.22 -0.00 -1.90 -2.80 115.58 116.63 1je3 h ASN 69 Ca -0.39 -0.07 0.01 0.00 -0.00 0.00 0.00 56.30 55.85 1je3 h ASN 69 Cb 1.16 0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 39.56 1je3 h ASN 69 CO 0.70 0.08 -0.23 0.40 -0.00 0.00 0.00 177.43 178.38 1je3 h ILE 70 N -1.07 0.50 -0.42 6.14 1.08 -1.96 -2.56 117.51 119.23 1je3 h ILE 70 Ca -0.05 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.47 1je3 h ILE 70 Cb 0.42 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.65 1je3 h ILE 70 CO 0.07 0.00 0.28 -0.65 -0.69 0.00 0.00 178.15 177.17 1je3 h PRO 71 N -0.47 0.36 -0.09 2.37 0.11 -1.97 -1.23 132.00 131.08 1je3 h PRO 71 Ca 0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1je3 h PRO 71 Cb 0.45 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1je3 h PRO 71 CO -0.08 0.24 -0.02 1.25 -0.21 0.00 0.00 178.00 179.18 1je3 h LEU 72 N 0.37 0.11 0.45 2.35 5.85 -1.17 0.93 115.31 124.20 1je3 h LEU 72 Ca 0.18 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1je3 h LEU 72 Cb 0.25 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1je3 h LEU 72 CO -0.04 0.15 -0.22 0.44 -0.34 0.00 0.00 178.44 178.44 1je3 h ASP 73 N 0.12 -0.51 -0.06 1.25 5.19 -1.08 -1.55 116.42 119.78 1je3 h ASP 73 Ca 0.03 -0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.33 1je3 h ASP 73 Cb 0.12 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 1je3 h ASP 73 CO 0.00 -0.10 -0.06 0.00 -3.12 0.00 0.00 179.24 175.97 1je3 h ALA 74 N -0.86 1.54 -0.07 3.45 0.00 -1.51 -1.95 119.26 119.86 1je3 h ALA 74 Ca -0.06 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1je3 h ALA 74 Cb 0.55 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1je3 h ALA 74 CO 0.10 0.33 -0.42 -0.09 0.00 0.00 0.00 179.25 179.17 1je3 h ARG 75 N 0.28 0.16 0.81 0.00 2.43 -0.84 0.28 114.38 117.51 1je3 h ARG 75 Ca 0.06 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1je3 h ARG 75 Cb 0.30 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1je3 h ARG 75 CO 0.01 0.56 -0.41 -0.97 -1.51 0.00 0.00 179.97 177.65 1je3 h ASN 76 N 0.14 -0.98 0.84 -3.80 -0.00 -0.46 -2.87 115.58 108.44 1je3 h ASN 76 Ca 0.01 0.04 -0.05 0.00 -0.00 0.00 0.00 56.30 56.30 1je3 h ASN 76 Cb 0.80 0.26 -0.01 0.00 -0.00 0.00 0.00 38.32 39.37 1je3 h ASN 76 CO 0.06 -0.68 -0.26 -0.74 -0.00 0.00 0.00 177.43 175.82 1je3 h HIS 77 N -1.11 0.00 -1.37 0.67 2.76 -1.57 -3.49 115.15 111.04 1je3 h HIS 77 Ca -0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1je3 h HIS 77 Cb 0.86 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.82 1je3 h HIS 77 CO 0.02 0.26 0.00 0.41 -1.30 0.00 0.00 177.93 177.31 1je3 n GLY 78 N 0.08 -1.29 0.00 5.26 0.00 0.93 -5.12 105.19 105.05 1je3 n GLY 78 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.81 -1.15 0.00 1.61 4.19 -0.84 -4.97 117.16 116.82 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 -0.38 0.00 -4.40 2.97 -1.04 -1.26 -4.87 114.28 105.29 1je3 n THR 80 Ca 0.00 0.31 -0.33 0.00 -2.04 0.00 0.00 64.05 61.98 1je3 n THR 80 Cb 0.00 -0.67 -0.15 0.00 -1.82 0.00 0.00 70.33 67.69 1je3 n THR 80 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1je3 s VAL 81 N -0.26 2.65 -0.30 12.58 1.01 -0.45 -5.02 120.40 130.61 1je3 s VAL 81 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1je3 s VAL 81 Cb 0.00 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.34 1je3 s VAL 81 CO 0.00 0.51 0.02 -0.76 0.00 0.00 0.00 175.10 174.87 1je3 s LEU 82 N 0.96 3.60 0.25 3.92 2.01 -1.26 -1.97 118.68 126.19 1je3 s LEU 82 Ca -0.02 -1.74 0.05 0.00 0.01 0.00 0.00 54.13 52.42 1je3 s LEU 82 Cb -0.15 -1.36 -0.05 0.00 0.01 0.00 0.00 46.19 44.63 1je3 s LEU 82 CO -0.02 -0.33 -0.03 -1.81 1.01 0.00 0.00 176.35 175.16 1je3 s ASP 83 N 1.18 2.22 0.35 2.29 1.01 -0.78 -5.04 116.67 117.90 1je3 s ASP 83 Ca 0.05 -1.20 0.06 0.00 0.71 0.00 0.00 52.55 52.17 1je3 s ASP 83 Cb -0.19 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.65 1je3 s ASP 83 CO -0.11 -0.43 0.24 0.27 0.21 0.00 0.00 175.17 175.35 1je3 s ILE 84 N -3.24 0.13 0.27 0.77 -0.00 -1.26 -1.19 121.20 116.67 1je3 s ILE 84 Ca 0.28 -2.00 -0.06 0.00 -0.00 0.00 0.00 60.65 58.87 1je3 s ILE 84 Cb 0.05 -2.45 0.02 0.00 -0.00 0.00 0.00 42.46 40.08 1je3 s ILE 84 CO 0.10 0.00 0.46 0.00 -0.00 0.00 0.00 174.94 175.49 1je3 n GLN 85 N -0.69 0.66 -3.74 0.37 6.02 0.13 -4.91 117.38 115.22 1je3 n GLN 85 Ca 0.04 -1.81 -0.13 0.00 -0.01 0.00 0.00 57.00 55.10 1je3 n GLN 85 Cb 0.63 1.97 -0.10 0.00 1.02 0.00 0.00 30.24 33.75 1je3 n GLN 85 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1je3 s GLN 86 N -2.32 0.43 0.00 -1.09 -0.44 -1.26 -3.19 119.66 111.78 1je3 s GLN 86 Ca 0.16 0.54 0.00 0.00 -2.50 0.00 0.00 55.36 53.56 1je3 s GLN 86 Cb -0.02 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.53 1je3 s GLN 86 CO 0.12 -0.06 0.00 -3.47 0.50 0.00 0.00 175.29 172.37 1je3 n ASP 87 N 3.03 0.00 0.00 6.67 -0.08 -1.20 -4.97 116.55 120.00 1je3 n ASP 87 Ca -0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.14 1je3 n ASP 87 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 1je3 n ASP 87 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1je3 n GLY 88 N 4.36 -0.83 0.99 0.27 0.00 -1.26 -4.63 105.19 104.10 1je3 n GLY 88 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1je3 n GLY 88 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1je3 n PRO 89 N 0.00 0.94 -3.56 1.61 -0.02 -1.26 -4.80 135.00 127.91 1je3 n PRO 89 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1je3 n PRO 89 Cb 0.00 -1.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 1je3 n PRO 89 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1je3 n THR 90 N 0.53 0.00 -3.90 3.45 -2.24 -1.26 -4.87 114.28 105.98 1je3 n THR 90 Ca 0.00 -1.51 -0.11 0.00 -2.27 0.00 0.00 64.05 60.17 1je3 n THR 90 Cb 0.47 0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 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 -2.78 0.08 -0.01 2.28 2.07 -0.80 -3.22 121.20 118.82 1je3 s ILE 91 Ca 0.25 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.82 1je3 s ILE 91 Cb -0.01 -0.33 0.01 0.00 0.13 0.00 0.00 42.46 42.26 1je3 s ILE 91 CO 0.18 -0.37 0.00 -0.60 -1.91 0.00 0.00 174.94 172.24 1je3 s ARG 92 N -1.20 0.09 0.23 3.50 3.52 -1.19 -1.79 118.95 122.10 1je3 s ARG 92 Ca -0.13 0.04 0.10 0.00 -0.13 0.00 0.00 55.73 55.61 1je3 s ARG 92 Cb -0.07 -0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.07 1je3 s ARG 92 CO 0.00 -0.06 -0.17 0.71 -0.81 0.00 0.00 175.30 174.98 1je3 s TYR 93 N 0.46 1.95 0.02 5.12 2.02 -0.20 0.19 117.35 126.90 1je3 s TYR 93 Ca -0.04 -0.47 -0.21 0.00 -0.37 0.00 0.00 57.07 55.99 1je3 s TYR 93 Cb -0.06 -0.88 0.04 0.00 -0.40 0.00 0.00 41.96 40.66 1je3 s TYR 93 CO -0.01 0.50 0.47 -0.48 -1.57 0.00 0.00 175.55 174.45 1je3 s LEU 94 N -3.33 0.18 0.09 -1.29 2.34 -0.34 -0.06 118.68 116.28 1je3 s LEU 94 Ca 0.25 0.19 0.03 0.00 0.06 0.00 0.00 54.13 54.66 1je3 s LEU 94 Cb -0.03 1.88 -0.04 0.00 -0.56 0.00 0.00 46.19 47.45 1je3 s LEU 94 CO 0.10 -0.63 -0.10 0.27 -1.06 0.00 0.00 176.35 174.94 1je3 s ILE 95 N -2.02 0.90 0.08 1.48 -5.25 -1.18 -1.86 121.20 113.35 1je3 s ILE 95 Ca -0.08 -1.61 -0.18 0.00 -0.99 0.00 0.00 60.65 57.78 1je3 s ILE 95 Cb -0.02 -1.32 0.04 0.00 2.95 0.00 0.00 42.46 44.11 1je3 s ILE 95 CO 0.01 -0.56 0.44 0.00 -1.79 0.00 0.00 174.94 173.04 1je3 s GLN 96 N -2.76 1.02 0.00 0.37 -2.07 -0.83 -0.04 119.66 115.35 1je3 s GLN 96 Ca 0.05 -0.48 0.00 0.00 -1.82 0.00 0.00 55.36 53.10 1je3 s GLN 96 Cb -0.03 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1je3 s GLN 96 CO -0.00 -0.38 0.40 1.17 -1.32 0.00 0.00 175.29 175.16