#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3s s ASP 2 N 0.00 5.26 0.09 1.61 1.11 -1.26 -5.02 116.67 118.46 1j3s s ASP 2 Ca 0.00 -0.13 0.04 0.00 0.18 0.00 0.00 52.55 52.64 1j3s s ASP 2 Cb 0.00 -1.32 -0.24 0.00 1.07 0.00 0.00 42.92 42.43 1j3s s ASP 2 CO 0.00 0.15 1.16 1.62 1.18 0.00 0.00 175.17 179.28 1j3s h VAL 3 N 2.61 1.55 0.00 -1.27 3.04 -1.98 -2.89 116.25 117.32 1j3s h VAL 3 Ca -0.47 -3.23 -0.18 0.00 -1.01 0.00 0.00 66.70 61.80 1j3s h VAL 3 Cb 1.17 2.83 -0.02 0.00 -2.01 0.00 0.00 31.29 33.26 1j3s h VAL 3 CO 0.62 0.91 -0.85 -0.33 -1.01 0.00 0.00 177.57 176.91 1j3s h GLU 4 N 0.02 0.09 0.19 4.17 5.08 -1.97 -1.99 114.58 120.17 1j3s h GLU 4 Ca -0.08 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1j3s h GLU 4 Cb 1.86 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1j3s h GLU 4 CO 0.15 0.88 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.72 1j3s h LYS 5 N 0.05 -0.24 -0.64 2.33 1.63 -1.98 -2.22 116.57 115.49 1j3s h LYS 5 Ca -0.02 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.80 1j3s h LYS 5 Cb 1.47 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 33.12 1j3s h LYS 5 CO 0.12 0.14 0.42 0.78 -3.45 0.00 0.00 179.45 177.46 1j3s h GLY 6 N -0.91 0.91 2.00 5.01 0.00 -1.61 -0.02 103.07 108.44 1j3s h GLY 6 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1j3s h GLY 6 CO 0.04 0.31 0.00 1.70 0.00 0.00 0.00 176.54 178.59 1j3s h LYS 7 N 0.84 0.00 -0.00 4.80 3.64 -1.43 -2.39 116.57 122.02 1j3s h LYS 7 Ca 0.24 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.37 1j3s h LYS 7 Cb -0.07 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1j3s h LYS 7 CO -0.07 0.00 -0.97 0.87 -2.27 0.00 0.00 179.45 177.02 1j3s h LYS 8 N 0.00 0.66 0.64 1.90 1.79 -0.35 -2.21 116.57 119.01 1j3s h LYS 8 Ca 0.00 -0.71 -0.03 0.00 -2.18 0.00 0.00 60.65 57.73 1j3s h LYS 8 Cb 0.24 0.20 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1j3s h LYS 8 CO 0.00 1.29 -0.31 0.82 -1.08 0.00 0.00 179.45 180.18 1j3s h ILE 9 N 0.32 0.00 -0.72 1.86 5.03 -1.16 -1.62 117.51 121.22 1j3s h ILE 9 Ca -0.12 -0.36 0.13 0.00 -0.12 0.00 0.00 64.86 64.39 1j3s h ILE 9 Cb 1.63 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 35.33 1j3s h ILE 9 CO 0.19 0.00 0.27 0.15 -0.68 0.00 0.00 178.15 178.09 1j3s h PHE 10 N -1.22 0.47 -0.87 1.37 3.04 -1.65 1.42 116.94 119.49 1j3s h PHE 10 Ca -0.09 0.03 0.08 0.00 3.98 0.00 0.00 57.97 61.98 1j3s h PHE 10 Cb 0.66 -0.10 -0.06 0.00 2.56 0.00 0.00 35.95 39.01 1j3s h PHE 10 CO 0.00 0.07 0.57 0.82 -2.02 0.00 0.00 178.31 177.75 1j3s h ILE 11 N 0.43 1.01 -0.33 1.41 2.04 -1.36 0.10 117.51 120.81 1j3s h ILE 11 Ca 0.38 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 1j3s h ILE 11 Cb 0.56 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 1j3s h ILE 11 CO -0.38 0.17 -0.01 0.80 0.00 0.00 0.00 178.15 178.73 1j3s n MET 12 N -4.51 2.36 0.08 2.37 1.56 0.59 -4.05 117.12 115.52 1j3s n MET 12 Ca 0.14 -3.00 0.00 0.00 -0.27 0.00 0.00 57.70 54.57 1j3s n MET 12 Cb 0.26 -1.84 0.00 0.00 2.15 0.00 0.00 33.22 33.79 1j3s n MET 12 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1j3s n LYS 13 N -0.84 0.00 -0.43 2.12 3.00 0.45 -4.89 118.16 117.57 1j3s n LYS 13 Ca 0.28 0.00 0.07 0.00 -0.00 0.00 0.00 58.31 58.67 1j3s n LYS 13 Cb 0.99 -0.19 0.18 0.00 0.00 0.00 0.00 35.03 36.01 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3s n SER 15 N -1.19 0.49 -0.12 0.00 2.88 0.26 -1.27 113.62 114.67 1j3s n SER 15 Ca 0.18 -1.55 -0.20 0.00 -1.33 0.00 0.00 58.87 55.96 1j3s n SER 15 Cb 0.68 -0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 64.04 1j3s n SER 15 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1j3s n GLN 16 N -0.44 0.56 0.15 -1.46 -0.06 -1.26 -4.30 117.38 110.57 1j3s n GLN 16 Ca 0.14 0.24 0.07 0.00 -2.00 0.00 0.00 57.00 55.45 1j3s n GLN 16 Cb 0.14 -1.47 0.06 0.00 -4.06 0.00 0.00 30.24 24.91 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s s HIS 18 N -3.13 2.80 -0.71 0.00 3.76 -0.40 0.23 115.29 117.83 1j3s s HIS 18 Ca 0.03 -2.94 -0.19 0.00 -0.15 0.00 0.00 55.06 51.82 1j3s s HIS 18 Cb 0.07 -2.50 0.12 0.00 1.11 0.00 0.00 32.58 31.39 1j3s s HIS 18 CO 0.73 -0.74 0.84 0.95 -0.85 0.00 0.00 174.74 175.67 1j3s s THR 19 N -0.15 4.85 -0.13 1.30 -4.23 -1.26 -4.09 115.64 111.93 1j3s s THR 19 Ca 0.18 -1.26 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1j3s s THR 19 Cb -0.24 -4.58 0.17 0.00 1.34 0.00 0.00 72.50 69.19 1j3s s THR 19 CO -0.01 -1.25 1.33 1.33 -0.54 0.00 0.00 174.62 175.49 1j3s n VAL 20 N 5.36 1.68 -0.95 2.29 0.24 -1.26 -3.41 118.33 122.28 1j3s n VAL 20 Ca 0.02 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1j3s n VAL 20 Cb 0.45 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 1j3s n VAL 20 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1j3s n GLU 21 N 0.16 0.10 0.00 7.34 1.02 -1.26 -4.85 120.64 123.14 1j3s n GLU 21 Ca 0.16 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1j3s n GLU 21 Cb 0.78 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.68 1j3s n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3s n LYS 22 N -0.02 3.30 -1.30 3.49 3.00 -1.22 -4.93 118.16 120.49 1j3s n LYS 22 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1j3s n LYS 22 Cb 0.42 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.56 1j3s n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 23 N 5.00 5.43 2.19 3.14 0.00 -1.26 -4.79 105.19 114.89 1j3s n GLY 23 Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 46.02 44.08 1j3s n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j3s n GLY 24 N -1.00 0.63 3.94 -0.02 0.00 -1.26 -5.01 105.19 102.47 1j3s n GLY 24 Ca 0.62 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1j3s n GLY 24 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j3s s LYS 25 N -1.69 3.49 -0.01 1.61 2.47 -1.26 -4.92 119.74 119.43 1j3s s LYS 25 Ca 0.00 -0.35 -0.01 0.00 -1.56 0.00 0.00 55.97 54.05 1j3s s LYS 25 Cb 0.00 -2.70 0.00 0.00 -1.46 0.00 0.00 37.83 33.68 1j3s s LYS 25 CO 0.00 0.20 0.04 -3.38 0.16 0.00 0.00 175.35 172.37 1j3s s HIS 26 N -2.23 -0.02 0.08 4.03 -3.43 -1.26 -4.61 115.29 107.84 1j3s s HIS 26 Ca 0.40 0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.71 1j3s s HIS 26 Cb -0.10 0.00 -0.00 0.00 -1.43 0.00 0.00 32.58 31.05 1j3s s HIS 26 CO 0.34 -0.03 -0.01 1.17 -2.00 0.00 0.00 174.74 174.21 1j3s n LYS 27 N 2.94 0.02 -0.08 -0.38 4.81 -1.26 -4.97 118.16 119.24 1j3s n LYS 27 Ca -0.13 0.01 -0.08 0.00 -0.87 0.00 0.00 58.31 57.24 1j3s n LYS 27 Cb 0.59 -0.48 -0.03 0.00 0.02 0.00 0.00 35.03 35.13 1j3s n LYS 27 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1j3s n THR 28 N -3.44 1.31 -3.39 3.15 -1.04 -1.26 -4.99 114.28 104.61 1j3s n THR 28 Ca -0.00 0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.92 1j3s n THR 28 Cb 0.02 -2.24 -0.02 0.00 -1.82 0.00 0.00 70.33 66.27 1j3s n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1j3s s GLY 29 N -4.66 1.69 0.25 3.41 0.00 0.13 -5.02 107.32 103.13 1j3s s GLY 29 Ca -0.25 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.47 1j3s s GLY 29 CO 0.37 -0.62 1.38 2.56 0.00 0.00 0.00 173.10 176.80 1j3s s PRO 30 N -3.76 4.32 -0.53 2.90 0.04 -1.25 -4.61 135.00 132.10 1j3s s PRO 30 Ca 0.42 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 1j3s s PRO 30 Cb -0.10 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.20 1j3s s PRO 30 CO 0.32 -0.33 2.40 -1.71 0.04 0.00 0.00 177.00 177.71 1j3s n ASN 31 N 2.13 1.96 -1.86 6.66 4.05 -1.26 -4.73 115.26 122.20 1j3s n ASN 31 Ca 0.05 -0.06 -0.09 0.00 0.45 0.00 0.00 54.58 54.93 1j3s n ASN 31 Cb 0.41 -1.37 -0.09 0.00 1.23 0.00 0.00 39.78 39.96 1j3s n ASN 31 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1j3s n LEU 32 N 12.83 5.44 -3.92 1.20 4.32 -1.26 -4.69 117.00 130.92 1j3s n LEU 32 Ca 0.43 -3.00 -0.43 0.00 -0.02 0.00 0.00 56.01 53.00 1j3s n LEU 32 Cb 0.35 -1.29 0.01 0.00 -1.62 0.00 0.00 43.42 40.87 1j3s n LEU 32 CO 0.76 1.45 1.47 1.57 -1.22 0.00 0.00 177.39 181.42 1j3s n HIS 33 N 1.92 2.49 0.00 -1.77 -0.00 -1.26 -4.07 115.22 112.52 1j3s n HIS 33 Ca 0.28 -2.64 0.00 0.00 0.46 0.00 0.00 57.72 55.82 1j3s n HIS 33 Cb 0.73 -1.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.10 1j3s n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1j3s n GLY 34 N 1.77 1.73 0.43 1.57 0.00 -1.26 -4.99 105.19 104.44 1j3s n GLY 34 Ca 0.33 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.59 1j3s n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1j3s h LEU 35 N 0.00 0.06 -9.96 0.99 5.85 -1.84 -3.40 115.31 107.01 1j3s h LEU 35 Ca 0.00 0.01 -0.54 0.00 0.84 0.00 0.00 57.88 58.19 1j3s h LEU 35 Cb 0.00 -0.01 0.11 0.00 0.37 0.00 0.00 40.66 41.13 1j3s h LEU 35 CO 0.00 0.03 0.74 -0.36 -0.34 0.00 0.00 178.44 178.51 1j3s s PHE 36 N -5.05 2.56 -1.76 1.25 0.40 -1.26 -1.61 117.98 112.51 1j3s s PHE 36 Ca -0.05 1.22 -0.00 0.00 -0.60 0.00 0.00 56.93 57.49 1j3s s PHE 36 Cb 0.21 -3.97 0.00 0.00 0.51 0.00 0.00 43.02 39.77 1j3s s PHE 36 CO 0.76 -2.91 0.04 0.41 0.70 0.00 0.00 175.22 174.22 1j3s n GLY 37 N 0.52 -0.49 2.83 4.36 0.00 -1.16 -4.97 105.19 106.28 1j3s n GLY 37 Ca 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1j3s n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1j3s s ARG 38 N -5.08 0.67 1.04 1.61 3.00 -0.63 -5.02 118.95 114.54 1j3s s ARG 38 Ca 0.02 0.01 -0.15 0.00 -1.00 0.00 0.00 55.73 54.61 1j3s s ARG 38 Cb -0.01 -0.85 0.21 0.00 0.00 0.00 0.00 34.95 34.30 1j3s s ARG 38 CO 0.02 -0.18 1.14 0.15 0.00 0.00 0.00 175.30 176.43 1j3s s LYS 39 N 1.37 0.07 0.93 5.12 1.02 -1.26 -3.68 119.74 123.31 1j3s s LYS 39 Ca -0.04 0.15 -0.12 0.00 0.02 0.00 0.00 55.97 55.98 1j3s s LYS 39 Cb -0.13 -1.73 0.15 0.00 -0.52 0.00 0.00 37.83 35.60 1j3s s LYS 39 CO -0.02 -2.89 1.13 0.99 -0.92 0.00 0.00 175.35 173.63 1j3s s THR 40 N -3.16 1.99 -0.01 2.17 2.01 -1.26 -4.77 115.64 112.60 1j3s s THR 40 Ca 0.68 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 1j3s s THR 40 Cb -0.13 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.68 1j3s s THR 40 CO 0.55 0.00 0.03 0.61 -0.69 0.00 0.00 174.62 175.13 1j3s n GLY 41 N -2.01 -4.76 2.05 4.40 0.00 -1.26 -4.83 105.19 98.78 1j3s n GLY 41 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1j3s n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1j3s n GLN 42 N 1.19 0.00 -1.27 1.61 -0.06 -1.26 -5.11 117.38 112.47 1j3s n GLN 42 Ca -0.06 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.56 1j3s n GLN 42 Cb 0.09 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.28 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s n ALA 43 N -3.09 -2.84 -0.57 1.69 0.00 -1.26 -4.94 120.51 109.50 1j3s n ALA 43 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1j3s n ALA 43 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 17.98 1j3s n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j3s n PRO 44 N 1.24 0.00 -1.87 0.00 -0.04 -1.26 -4.30 135.00 128.78 1j3s n PRO 44 Ca 0.08 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 1j3s n PRO 44 Cb 0.48 -0.78 -0.01 0.00 -0.04 0.00 0.00 33.50 33.15 1j3s n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3s n GLY 45 N 1.89 4.64 3.64 0.55 0.00 -1.26 -4.79 105.19 109.86 1j3s n GLY 45 Ca 0.00 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 1j3s n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1j3s s TYR 46 N 1.32 -1.28 -1.38 1.61 6.14 -1.26 -5.04 117.35 117.46 1j3s s TYR 46 Ca 0.51 2.25 -0.12 0.00 0.64 0.00 0.00 57.07 60.35 1j3s s TYR 46 Cb 0.14 0.77 0.10 0.00 0.42 0.00 0.00 41.96 43.39 1j3s s TYR 46 CO -0.06 -0.64 2.05 0.45 0.64 0.00 0.00 175.55 178.00 1j3s n SER 47 N 5.31 4.43 -3.67 4.32 2.88 -1.26 -4.77 113.62 120.87 1j3s n SER 47 Ca -0.13 -2.96 -0.10 0.00 -1.33 0.00 0.00 58.87 54.36 1j3s n SER 47 Cb 0.50 -1.59 0.07 0.00 -0.75 0.00 0.00 64.21 62.45 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1j3s n TYR 48 N 5.24 -1.83 -1.55 0.66 4.02 -1.26 -4.41 117.16 118.03 1j3s n TYR 48 Ca 0.47 0.34 -0.14 0.00 -0.01 0.00 0.00 57.90 58.56 1j3s n TYR 48 Cb 0.38 -1.38 -0.09 0.00 -0.02 0.00 0.00 39.34 38.23 1j3s n TYR 48 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1j3s n THR 49 N -3.70 0.00 -0.32 -0.72 -1.04 -1.26 -4.71 114.28 102.53 1j3s n THR 49 Ca 0.03 -0.42 0.07 0.00 -2.04 0.00 0.00 64.05 61.69 1j3s n THR 49 Cb 0.19 -1.78 0.23 0.00 -1.82 0.00 0.00 70.33 67.15 1j3s n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j3s h ALA 50 N 12.30 1.38 -0.28 2.41 0.00 -1.90 -2.18 119.26 130.99 1j3s h ALA 50 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j3s h ALA 50 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1j3s h ALA 50 CO 1.06 0.06 0.00 0.00 0.00 0.00 0.00 179.25 180.37 1j3s n ALA 51 N -2.38 -0.26 -0.35 0.00 0.00 -1.26 -1.74 120.51 114.52 1j3s n ALA 51 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1j3s n ALA 51 Cb 0.39 0.20 0.26 0.00 0.00 0.00 0.00 19.45 20.30 1j3s n ALA 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1j3s h ASN 52 N 0.00 -0.58 -0.22 0.00 -0.26 -1.84 0.10 115.58 112.79 1j3s h ASN 52 Ca 0.00 0.28 0.05 0.00 -0.56 0.00 0.00 56.30 56.08 1j3s h ASN 52 Cb 0.00 0.52 -0.07 0.00 -1.06 0.00 0.00 38.32 37.70 1j3s h ASN 52 CO 0.00 -0.35 -0.43 0.50 -1.06 0.00 0.00 177.43 176.09 1j3s h LYS 53 N 0.01 -0.43 -0.29 0.81 3.11 -0.70 -0.93 116.57 118.14 1j3s h LYS 53 Ca 0.57 0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.40 1j3s h LYS 53 Cb 1.13 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.44 1j3s h LYS 53 CO -0.95 -0.29 0.01 -0.91 -2.81 0.00 0.00 179.45 174.51 1j3s h ASN 54 N -0.44 0.40 0.00 4.20 2.35 -0.01 -1.58 115.58 120.50 1j3s h ASN 54 Ca 0.09 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1j3s h ASN 54 Cb 0.62 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1j3s h ASN 54 CO -0.46 0.46 0.06 1.17 -1.65 0.00 0.00 177.43 177.02 1j3s n LYS 55 N -4.32 0.11 -3.60 0.81 3.00 -0.37 -4.79 118.16 109.00 1j3s n LYS 55 Ca 0.01 0.60 -0.24 0.00 -0.00 0.00 0.00 58.31 58.68 1j3s n LYS 55 Cb 0.22 -1.92 0.08 0.00 0.00 0.00 0.00 35.03 33.40 1j3s n LYS 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1j3s n GLY 56 N -1.32 -0.53 3.77 3.14 0.00 -0.59 -4.95 105.19 104.70 1j3s n GLY 56 Ca -0.01 0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1j3s n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j3s s ILE 57 N -3.32 5.25 -0.39 -0.61 -1.16 -1.25 -5.05 121.20 114.67 1j3s s ILE 57 Ca 0.55 0.64 -0.18 0.00 -0.51 0.00 0.00 60.65 61.14 1j3s s ILE 57 Cb -0.24 -3.65 0.01 0.00 0.61 0.00 0.00 42.46 39.18 1j3s s ILE 57 CO 0.73 0.45 0.50 -0.51 -2.81 0.00 0.00 174.94 173.30 1j3s s ILE 58 N -0.01 5.01 -0.57 2.00 -1.16 -1.26 -4.23 121.20 120.97 1j3s s ILE 58 Ca 0.19 0.06 -0.28 0.00 -0.51 0.00 0.00 60.65 60.11 1j3s s ILE 58 Cb -0.14 -4.02 -0.11 0.00 0.61 0.00 0.00 42.46 38.80 1j3s s ILE 58 CO 0.07 -0.35 2.44 0.79 -2.81 0.00 0.00 174.94 175.09 1j3s n TRP 59 N 5.77 1.28 -3.49 3.50 5.03 -1.24 -4.82 117.44 123.47 1j3s n TRP 59 Ca -0.05 0.18 0.00 0.00 3.03 0.00 0.00 57.50 60.66 1j3s n TRP 59 Cb 0.48 -2.57 0.00 0.00 -1.03 0.00 0.00 31.31 28.19 1j3s n TRP 59 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1j3s n GLY 60 N 6.18 5.75 0.05 6.99 0.00 -1.26 -3.01 105.19 119.89 1j3s n GLY 60 Ca 0.44 -1.99 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 1j3s n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j3s h GLU 61 N 0.00 -0.09 -0.83 1.61 4.81 -1.99 -2.49 114.58 115.60 1j3s h GLU 61 Ca 0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1j3s h GLU 61 Cb 0.00 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1j3s h GLU 61 CO 0.00 -0.06 0.46 -0.44 -0.73 0.00 0.00 179.01 178.24 1j3s h ASP 62 N -0.26 1.03 -0.65 1.04 5.19 -1.98 -0.73 116.42 120.05 1j3s h ASP 62 Ca -0.01 -0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1j3s h ASP 62 Cb 0.07 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.29 1j3s h ASP 62 CO 0.02 0.82 0.43 0.71 -3.12 0.00 0.00 179.24 178.09 1j3s h THR 63 N 1.16 1.14 0.00 0.35 1.35 -1.88 -1.48 112.91 113.56 1j3s h THR 63 Ca 0.29 -0.29 -0.15 0.00 -0.55 0.00 0.00 66.41 65.71 1j3s h THR 63 Cb 0.01 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 1j3s h THR 63 CO -0.05 0.16 -0.75 0.25 -0.25 0.00 0.00 175.52 174.88 1j3s h LEU 64 N 0.85 0.00 -0.40 3.87 6.46 -0.88 -2.96 115.31 122.25 1j3s h LEU 64 Ca 0.24 0.00 0.04 0.00 -0.12 0.00 0.00 57.88 58.05 1j3s h LEU 64 Cb -0.05 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1j3s h LEU 64 CO -0.06 0.73 0.17 -0.03 -0.62 0.00 0.00 178.44 178.63 1j3s h MET 65 N 0.00 0.34 0.06 1.25 4.05 -0.07 0.64 114.93 121.20 1j3s h MET 65 Ca -0.01 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1j3s h MET 65 Cb 1.56 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.29 1j3s h MET 65 CO 0.09 0.22 -0.03 1.49 0.23 0.00 0.00 176.91 178.92 1j3s h GLU 66 N 0.35 -0.08 -0.16 0.39 4.81 -1.58 -1.50 114.58 116.81 1j3s h GLU 66 Ca 0.18 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1j3s h GLU 66 Cb 0.14 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1j3s h GLU 66 CO -0.16 0.47 0.33 -0.92 -0.73 0.00 0.00 179.01 178.00 1j3s h TYR 67 N -0.70 0.00 0.00 0.92 3.20 -1.36 0.22 116.97 119.25 1j3s h TYR 67 Ca -0.01 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.58 1j3s h TYR 67 Cb 0.58 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1j3s h TYR 67 CO 0.12 0.00 -1.70 -0.11 -1.64 0.00 0.00 178.16 174.83 1j3s n LEU 68 N -3.30 0.86 0.30 2.82 7.94 0.20 -2.42 117.00 123.40 1j3s n LEU 68 Ca 0.01 0.41 0.15 0.00 -1.11 0.00 0.00 56.01 55.48 1j3s n LEU 68 Cb 0.43 0.17 0.92 0.00 0.53 0.00 0.00 43.42 45.47 1j3s n LEU 68 CO 0.20 0.38 1.11 -0.08 -1.11 0.00 0.00 177.39 177.89 1j3s h GLU 69 N 0.00 0.00 -0.21 1.96 4.81 0.52 -3.33 114.58 118.33 1j3s h GLU 69 Ca -0.28 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.18 1j3s h GLU 69 Cb 2.00 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 31.18 1j3s h GLU 69 CO 0.08 0.02 0.05 1.21 -0.73 0.00 0.00 179.01 179.63 1j3s s ASN 70 N -6.08 -0.34 0.10 1.04 3.04 -1.00 -4.71 114.94 106.99 1j3s s ASN 70 Ca -0.05 0.07 -0.09 0.00 0.04 0.00 0.00 52.86 52.84 1j3s s ASN 70 Cb 0.15 1.23 -0.18 0.00 -1.54 0.00 0.00 41.25 40.90 1j3s s ASN 70 CO 0.54 -0.06 1.23 1.55 -3.04 0.00 0.00 177.10 177.32 1j3s h PRO 71 N 7.39 0.51 0.00 0.43 0.13 -1.69 -2.18 132.00 136.59 1j3s h PRO 71 Ca -0.10 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1j3s h PRO 71 Cb 1.17 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3s h PRO 71 CO -0.12 1.22 0.00 -0.22 -0.23 0.00 0.00 178.00 178.65 1j3s h LYS 72 N 0.27 0.00 0.06 0.86 3.64 -1.81 -2.23 116.57 117.35 1j3s h LYS 72 Ca -0.12 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.90 1j3s h LYS 72 Cb 1.70 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.48 1j3s h LYS 72 CO 0.19 0.00 -2.16 0.36 -2.27 0.00 0.00 179.45 175.58 1j3s n LYS 73 N -2.75 0.70 0.02 1.90 -0.00 -1.21 -4.37 118.16 112.45 1j3s n LYS 73 Ca 0.03 0.20 -0.01 0.00 -0.00 0.00 0.00 58.31 58.53 1j3s n LYS 73 Cb 0.38 -1.64 -0.01 0.00 -0.00 0.00 0.00 35.03 33.77 1j3s n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1j3s h TYR 74 N 0.03 -0.08 -3.38 5.58 3.20 -1.42 -3.42 116.97 117.47 1j3s h TYR 74 Ca -0.47 -0.00 -0.73 0.00 3.14 0.00 0.00 58.73 60.67 1j3s h TYR 74 Cb 2.01 0.03 -0.23 0.00 1.54 0.00 0.00 36.73 40.08 1j3s h TYR 74 CO 0.04 -0.05 -0.38 0.42 -1.64 0.00 0.00 178.16 176.55 1j3s s ILE 75 N -1.72 5.08 -1.30 1.81 -1.09 -0.84 -4.98 121.20 118.16 1j3s s ILE 75 Ca -0.01 -1.01 -0.16 0.00 -2.23 0.00 0.00 60.65 57.24 1j3s s ILE 75 Cb 0.00 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1j3s s ILE 75 CO 0.04 -0.49 2.12 -0.81 -1.23 0.00 0.00 174.94 174.56 1j3s n PRO 76 N 5.15 2.58 0.00 2.79 -0.04 -1.26 -3.54 135.00 140.68 1j3s n PRO 76 Ca -0.12 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 1j3s n PRO 76 Cb 0.44 -3.25 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1j3s n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3s n GLY 77 N 4.35 0.03 3.15 0.55 0.00 -1.26 -4.84 105.19 107.17 1j3s n GLY 77 Ca 0.51 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 1j3s n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1j3s n THR 78 N -1.11 0.13 0.26 2.61 5.66 -1.23 -4.84 114.28 115.76 1j3s n THR 78 Ca 0.00 -0.43 0.06 0.00 -3.05 0.00 0.00 64.05 60.64 1j3s n THR 78 Cb 0.00 -0.19 0.10 0.00 -1.55 0.00 0.00 70.33 68.69 1j3s n THR 78 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1j3s n LYS 79 N 1.26 1.53 -3.24 1.09 4.76 -1.26 -4.93 118.16 117.37 1j3s n LYS 79 Ca 0.02 -1.58 -0.40 0.00 -2.87 0.00 0.00 58.31 53.48 1j3s n LYS 79 Cb 0.54 -1.27 -0.08 0.00 -1.84 0.00 0.00 35.03 32.39 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j3s s MET 80 N -1.04 3.91 -0.52 1.97 0.23 -1.26 -4.93 119.30 117.66 1j3s s MET 80 Ca 0.19 0.14 -0.03 0.00 -1.03 0.00 0.00 55.69 54.96 1j3s s MET 80 Cb 0.12 -3.71 0.15 0.00 -1.53 0.00 0.00 34.83 29.86 1j3s s MET 80 CO 0.17 -0.46 2.53 -0.89 -2.03 0.00 0.00 175.02 174.33 1j3s n ILE 81 N 5.27 3.33 -1.73 3.16 2.08 -1.26 -4.58 119.36 125.62 1j3s n ILE 81 Ca -0.04 -3.08 -0.39 0.00 0.56 0.00 0.00 62.75 59.80 1j3s n ILE 81 Cb 0.49 -1.48 0.04 0.00 -0.75 0.00 0.00 39.64 37.95 1j3s n ILE 81 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 1j3s n PHE 82 N 0.48 2.19 1.28 1.39 7.35 -1.26 -4.89 117.46 124.00 1j3s n PHE 82 Ca 0.48 0.43 0.13 0.00 -0.76 0.00 0.00 57.45 57.74 1j3s n PHE 82 Cb 0.50 -2.35 0.44 0.00 0.35 0.00 0.00 39.48 38.43 1j3s n PHE 82 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1j3s n VAL 83 N -1.08 0.00 -0.93 -2.13 3.14 -1.26 -4.69 118.33 111.39 1j3s n VAL 83 Ca 0.11 -0.10 0.12 0.00 -2.96 0.00 0.00 64.34 61.51 1j3s n VAL 83 Cb 0.45 0.24 -0.04 0.00 -1.06 0.00 0.00 33.84 33.43 1j3s n VAL 83 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j3s n GLY 84 N 1.33 -2.03 3.67 7.55 0.00 -1.25 -4.84 105.19 109.63 1j3s n GLY 84 Ca 0.13 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1j3s n GLY 84 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j3s s ILE 85 N -2.28 4.28 -0.18 -0.61 1.09 -1.26 -4.99 121.20 117.24 1j3s s ILE 85 Ca 0.00 -0.25 0.21 0.00 -1.10 0.00 0.00 60.65 59.50 1j3s s ILE 85 Cb 0.00 -2.80 -0.07 0.00 -1.06 0.00 0.00 42.46 38.53 1j3s s ILE 85 CO 0.00 0.60 0.92 0.29 -0.10 0.00 0.00 174.94 176.65 1j3s n LYS 86 N 2.23 0.61 -3.49 2.79 5.02 -1.26 -4.79 118.16 119.27 1j3s n LYS 86 Ca -0.18 0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 1j3s n LYS 86 Cb 0.54 -1.80 -0.10 0.00 -0.02 0.00 0.00 35.03 33.65 1j3s n LYS 86 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1j3s s LYS 87 N -3.22 4.02 0.23 1.97 2.20 -1.26 -4.93 119.74 118.75 1j3s s LYS 87 Ca -0.02 -0.11 0.18 0.00 -0.36 0.00 0.00 55.97 55.66 1j3s s LYS 87 Cb 0.09 -3.63 0.89 0.00 -1.51 0.00 0.00 37.83 33.68 1j3s s LYS 87 CO 0.80 -0.18 1.54 1.17 -0.36 0.00 0.00 175.35 178.33 1j3s n LYS 88 N 5.02 0.12 0.20 4.03 4.81 -1.26 -2.56 118.16 128.51 1j3s n LYS 88 Ca -0.11 0.55 -0.13 0.00 -0.87 0.00 0.00 58.31 57.75 1j3s n LYS 88 Cb 0.51 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.66 1j3s n LYS 88 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1j3s h GLU 89 N 0.00 -0.51 -0.45 1.64 5.08 -1.98 -1.53 114.58 116.82 1j3s h GLU 89 Ca 0.00 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1j3s h GLU 89 Cb 0.09 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1j3s h GLU 89 CO 0.00 -0.20 -0.22 0.93 -1.00 0.00 0.00 179.01 178.52 1j3s h GLU 90 N -0.90 0.94 -0.55 2.33 5.08 -1.93 -2.15 114.58 117.40 1j3s h GLU 90 Ca -0.05 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 1j3s h GLU 90 Cb 0.55 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1j3s h GLU 90 CO 0.09 1.08 0.27 -0.09 -1.00 0.00 0.00 179.01 179.36 1j3s h ARG 91 N 0.78 0.50 -0.04 2.33 2.43 -1.54 0.24 114.38 119.09 1j3s h ARG 91 Ca 0.10 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1j3s h ARG 91 Cb 0.80 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1j3s h ARG 91 CO 0.07 0.33 0.01 0.00 -1.51 0.00 0.00 179.97 178.87 1j3s h ALA 92 N 1.31 0.06 -0.00 2.80 0.00 -1.16 -2.21 119.26 120.06 1j3s h ALA 92 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j3s h ALA 92 Cb 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j3s h ALA 92 CO -0.19 -0.31 0.01 0.22 0.00 0.00 0.00 179.25 178.99 1j3s h ASP 93 N -0.17 0.00 0.36 0.00 1.82 -0.94 -1.67 116.42 115.82 1j3s h ASP 93 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 1j3s h ASP 93 Cb 0.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1j3s h ASP 93 CO 0.00 0.00 -0.17 -0.07 -1.61 0.00 0.00 179.24 177.39 1j3s h LEU 94 N 0.00 -0.41 -0.19 2.28 3.38 -0.33 -1.24 115.31 118.79 1j3s h LEU 94 Ca 0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1j3s h LEU 94 Cb 0.03 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1j3s h LEU 94 CO -0.00 0.04 -0.03 0.40 0.09 0.00 0.00 178.44 178.94 1j3s h ILE 95 N -1.12 0.83 -0.88 1.22 1.08 -1.23 -1.24 117.51 116.18 1j3s h ILE 95 Ca -0.05 -0.01 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 1j3s h ILE 95 Cb 0.39 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.89 1j3s h ILE 95 CO 0.08 0.00 0.57 0.00 -0.69 0.00 0.00 178.15 178.11 1j3s h ALA 96 N 1.18 1.63 -0.36 1.87 0.00 -1.41 0.16 119.26 122.33 1j3s h ALA 96 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1j3s h ALA 96 Cb 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1j3s h ALA 96 CO -0.18 0.20 -0.07 -0.92 0.00 0.00 0.00 179.25 178.28 1j3s h TYR 97 N 0.89 -0.16 0.00 0.00 3.20 0.02 0.30 116.97 121.21 1j3s h TYR 97 Ca 0.40 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1j3s h TYR 97 Cb 0.37 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1j3s h TYR 97 CO -0.00 -0.14 -0.17 1.28 -1.64 0.00 0.00 178.16 177.49 1j3s n LEU 98 N -5.27 0.53 0.02 2.82 4.77 -0.69 -2.35 117.00 116.84 1j3s n LEU 98 Ca 0.01 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1j3s n LEU 98 Cb 0.20 -0.34 0.56 0.00 -2.33 0.00 0.00 43.42 41.51 1j3s n LEU 98 CO 0.18 -0.07 0.93 1.17 -1.33 0.00 0.00 177.39 178.26 1j3s n LYS 99 N -1.94 0.05 -0.06 3.23 4.81 0.48 -1.96 118.16 122.77 1j3s n LYS 99 Ca 0.06 0.06 -0.09 0.00 -0.87 0.00 0.00 58.31 57.47 1j3s n LYS 99 Cb 0.40 -1.56 -0.06 0.00 0.02 0.00 0.00 35.03 33.83 1j3s n LYS 99 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3s n LYS 100 N -1.65 0.31 -0.06 1.64 4.01 -0.65 -4.01 118.16 117.75 1j3s n LYS 100 Ca 0.06 0.07 -0.06 0.00 -0.51 0.00 0.00 58.31 57.87 1j3s n LYS 100 Cb 0.35 -1.24 -0.06 0.00 -0.51 0.00 0.00 35.03 33.56 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j3s h ALA 101 N -0.00 -0.00 -0.98 7.82 0.00 -1.56 -3.35 119.26 121.18 1j3s h ALA 101 Ca -0.27 -0.22 -0.52 0.00 0.00 0.00 0.00 54.91 53.90 1j3s h ALA 101 Cb 1.42 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.91 1j3s h ALA 101 CO -0.04 -0.00 0.66 0.25 0.00 0.00 0.00 179.25 180.11 1j3s n THR 102 N -4.71 3.18 -2.72 0.00 -2.24 -0.83 -4.51 114.28 102.46 1j3s n THR 102 Ca -0.04 -1.93 -0.07 0.00 -2.27 0.00 0.00 64.05 59.74 1j3s n THR 102 Cb 0.21 -0.51 0.08 0.00 -2.10 0.00 0.00 70.33 68.01 1j3s n THR 102 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1j3s n ASN 103 N -1.10 -2.22 -0.46 3.42 2.85 -1.07 -4.44 115.26 112.24 1j3s n ASN 103 Ca 0.59 -3.01 0.14 0.00 -0.11 0.00 0.00 54.58 52.19 1j3s n ASN 103 Cb 1.61 1.61 0.54 0.00 1.24 0.00 0.00 39.78 44.77 1j3s n ASN 103 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53