#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 5.28 -0.15 1.61 1.01 -1.26 -5.04 116.67 118.12 1j3s s ASP 2 Ca 0.00 0.64 -0.13 0.00 0.71 0.00 0.00 52.55 53.77 1j3s s ASP 2 Cb 0.00 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 1j3s s ASP 2 CO 0.00 -1.29 -0.25 0.52 0.21 0.00 0.00 175.17 174.36 1j3s n VAL 3 N -2.74 1.33 0.19 -1.27 0.31 -1.26 -3.84 118.33 111.04 1j3s n VAL 3 Ca 0.06 0.20 0.08 0.00 -0.01 0.00 0.00 64.34 64.67 1j3s n VAL 3 Cb 0.59 -2.29 0.39 0.00 -0.91 0.00 0.00 33.84 31.62 1j3s n VAL 3 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1j3s n GLU 4 N -4.32 0.10 0.02 5.55 2.13 -1.26 -2.20 120.64 120.65 1j3s n GLU 4 Ca -0.10 0.53 -0.02 0.00 0.66 0.00 0.00 57.16 58.23 1j3s n GLU 4 Cb 0.37 -1.78 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 1j3s n GLU 4 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1j3s h LYS 5 N 0.00 -0.12 -0.55 5.31 3.64 -1.98 -2.93 116.57 119.94 1j3s h LYS 5 Ca 0.00 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1j3s h LYS 5 Cb 0.08 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1j3s h LYS 5 CO 0.00 -0.08 0.37 0.78 -2.27 0.00 0.00 179.45 178.26 1j3s h GLY 6 N -0.73 0.44 1.66 5.01 0.00 -1.63 0.69 103.07 108.51 1j3s h GLY 6 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1j3s h GLY 6 CO 0.02 0.08 -0.09 1.70 0.00 0.00 0.00 176.54 178.25 1j3s h LYS 7 N 0.31 0.42 0.00 4.80 3.64 -1.53 -1.90 116.57 122.31 1j3s h LYS 7 Ca 0.26 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1j3s h LYS 7 Cb 0.59 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1j3s h LYS 7 CO -0.06 0.52 -0.35 -0.22 -2.27 0.00 0.00 179.45 177.07 1j3s h LYS 8 N 0.40 0.00 0.31 1.90 3.64 -0.68 -1.91 116.57 120.24 1j3s h LYS 8 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1j3s h LYS 8 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1j3s h LYS 8 CO 0.02 0.35 -0.15 0.82 -2.27 0.00 0.00 179.45 178.22 1j3s h ILE 9 N 0.00 0.56 -0.82 2.00 2.04 -0.79 -1.94 117.51 118.56 1j3s h ILE 9 Ca -0.00 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1j3s h ILE 9 Cb 1.13 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1j3s h ILE 9 CO 0.05 0.12 0.36 0.15 0.00 0.00 0.00 178.15 178.82 1j3s h PHE 10 N -0.90 1.21 -0.16 1.37 3.04 -1.54 1.27 116.94 121.23 1j3s h PHE 10 Ca -0.04 -0.08 0.05 0.00 3.98 0.00 0.00 57.97 61.88 1j3s h PHE 10 Cb 0.52 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1j3s h PHE 10 CO 0.04 0.90 0.13 0.82 -2.02 0.00 0.00 178.31 178.18 1j3s h ILE 11 N 1.18 0.73 -0.13 1.41 2.04 -1.34 -0.15 117.51 121.24 1j3s h ILE 11 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1j3s h ILE 11 Cb 0.17 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1j3s h ILE 11 CO -0.03 0.00 0.00 0.80 0.00 0.00 0.00 178.15 178.92 1j3s n MET 12 N -4.20 1.97 0.00 2.37 1.56 -0.43 -4.26 117.12 114.13 1j3s n MET 12 Ca 0.01 -1.51 -0.01 0.00 -0.27 0.00 0.00 57.70 55.92 1j3s n MET 12 Cb 0.26 -1.14 -0.00 0.00 2.15 0.00 0.00 33.22 34.48 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 0.15 0.06 -0.88 2.12 4.81 0.42 -4.83 118.16 120.01 1j3s n LYS 13 Ca 0.05 0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 1j3s n LYS 13 Cb 0.29 -0.38 0.18 0.00 0.02 0.00 0.00 35.03 35.14 1j3s n LYS 13 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j3s n SER 15 N -1.08 1.97 -0.13 0.00 2.88 -0.19 -2.01 113.62 115.06 1j3s n SER 15 Ca 0.31 -1.94 -0.26 0.00 -1.33 0.00 0.00 58.87 55.66 1j3s n SER 15 Cb 0.93 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 64.07 1j3s n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3s n GLN 16 N 0.56 0.56 0.00 -1.46 6.02 -1.26 -4.54 117.38 117.26 1j3s n GLN 16 Ca 0.13 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1j3s n GLN 16 Cb 0.32 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.05 1j3s n GLN 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1j3s s HIS 18 N -2.95 3.68 -1.05 0.00 3.76 -0.85 0.80 115.29 118.69 1j3s s HIS 18 Ca -0.05 -3.06 -0.22 0.00 -0.15 0.00 0.00 55.06 51.57 1j3s s HIS 18 Cb 0.09 -3.08 0.04 0.00 1.11 0.00 0.00 32.58 30.75 1j3s s HIS 18 CO 0.83 -0.71 1.55 0.95 -0.85 0.00 0.00 174.74 176.51 1j3s s THR 19 N -1.08 3.90 -2.00 1.30 -4.23 -1.26 -4.40 115.64 107.86 1j3s s THR 19 Ca 0.24 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1j3s s THR 19 Cb -0.10 -4.97 0.05 0.00 1.34 0.00 0.00 72.50 68.82 1j3s s THR 19 CO -0.11 -1.84 1.06 1.33 -0.54 0.00 0.00 174.62 174.52 1j3s n VAL 20 N 6.93 0.00 -1.70 2.29 0.24 -1.26 -3.16 118.33 121.67 1j3s n VAL 20 Ca 0.36 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.67 1j3s n VAL 20 Cb 0.50 -0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.85 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 -0.53 0.18 -0.08 7.34 1.02 -1.26 -4.87 120.64 122.45 1j3s n GLU 21 Ca 0.01 -1.07 -0.09 0.00 -0.02 0.00 0.00 57.16 56.00 1j3s n GLU 21 Cb 0.01 -0.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.78 1j3s n GLU 21 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1j3s h LYS 22 N 0.00 0.00 0.00 3.49 1.63 -1.92 -3.50 116.57 116.27 1j3s h LYS 22 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1j3s h LYS 22 Cb 1.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1j3s h LYS 22 CO 0.00 0.27 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 1j3s n GLY 23 N 1.59 -0.18 2.59 5.01 0.00 -1.26 -4.81 105.19 108.12 1j3s n GLY 23 Ca -0.13 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 1.41 3.12 -0.02 0.00 -1.26 -4.86 105.19 103.57 1j3s n GLY 24 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1j3s n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1j3s n LYS 25 N -1.52 4.17 -2.63 1.61 3.00 -1.26 -4.97 118.16 116.56 1j3s n LYS 25 Ca -0.15 -4.52 -0.42 0.00 -0.00 0.00 0.00 58.31 53.22 1j3s n LYS 25 Cb 0.59 -2.53 -0.03 0.00 0.00 0.00 0.00 35.03 33.07 1j3s n LYS 25 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 1j3s s HIS 26 N -2.27 3.56 0.00 5.64 -3.43 -1.26 -4.82 115.29 112.70 1j3s s HIS 26 Ca 0.31 1.56 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 1j3s s HIS 26 Cb -0.00 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.93 1j3s s HIS 26 CO 0.04 -0.40 0.00 1.63 -2.00 0.00 0.00 174.74 174.01 1j3s n LYS 27 N 4.18 0.00 -0.03 -0.38 4.01 -1.26 -4.86 118.16 119.82 1j3s n LYS 27 Ca 0.07 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.75 1j3s n LYS 27 Cb 0.49 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.87 1j3s n LYS 27 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1j3s n THR 28 N -1.40 1.63 -4.16 -0.18 -1.04 -1.26 -4.92 114.28 102.94 1j3s n THR 28 Ca 0.00 -0.75 -0.25 0.00 -2.04 0.00 0.00 64.05 61.01 1j3s n THR 28 Cb 0.00 -1.19 -0.06 0.00 -1.82 0.00 0.00 70.33 67.26 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 -5.36 1.63 0.25 3.41 0.00 0.24 -4.98 107.32 102.51 1j3s s GLY 29 Ca -0.12 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 42.92 1j3s s GLY 29 CO 0.80 -1.41 1.31 2.56 0.00 0.00 0.00 173.10 176.36 1j3s s PRO 30 N -3.33 4.38 -0.66 2.90 0.04 -1.25 -4.59 135.00 132.49 1j3s s PRO 30 Ca 0.30 2.11 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 1j3s s PRO 30 Cb -0.09 -3.15 -0.13 0.00 0.04 0.00 0.00 34.50 31.17 1j3s s PRO 30 CO 0.22 -0.22 2.49 -1.71 0.04 0.00 0.00 177.00 177.82 1j3s n ASN 31 N 2.01 1.54 -3.76 6.66 4.05 -1.26 -4.73 115.26 119.78 1j3s n ASN 31 Ca 0.04 -0.14 -0.42 0.00 0.45 0.00 0.00 54.58 54.51 1j3s n ASN 31 Cb 0.42 -1.30 0.00 0.00 1.23 0.00 0.00 39.78 40.14 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 13.14 6.81 -0.14 1.20 4.32 -1.26 -4.50 117.00 136.58 1j3s n LEU 32 Ca 0.48 -4.17 -0.29 0.00 -0.02 0.00 0.00 56.01 52.01 1j3s n LEU 32 Cb 0.31 -1.65 -0.10 0.00 -1.62 0.00 0.00 43.42 40.36 1j3s n LEU 32 CO 0.80 1.11 -1.45 1.57 -1.22 0.00 0.00 177.39 178.20 1j3s n HIS 33 N 6.00 0.00 -2.04 -1.77 -0.00 -1.26 -4.58 115.22 111.58 1j3s n HIS 33 Ca 0.51 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.55 1j3s n HIS 33 Cb 0.39 -0.99 0.06 0.00 -0.12 0.00 0.00 29.99 29.33 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 1.31 5.48 0.22 1.57 0.00 -1.26 -4.62 105.19 107.90 1j3s n GLY 34 Ca -0.54 -2.16 -0.03 0.00 0.00 0.00 0.00 46.02 43.28 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 1.95 -0.55 -9.89 0.99 6.46 -1.83 -3.36 115.31 109.08 1j3s h LEU 35 Ca 0.22 0.16 -0.54 0.00 -0.12 0.00 0.00 57.88 57.61 1j3s h LEU 35 Cb 1.41 0.34 0.10 0.00 -0.73 0.00 0.00 40.66 41.78 1j3s h LEU 35 CO 0.52 -0.19 0.83 -0.36 -0.62 0.00 0.00 178.44 178.62 1j3s s PHE 36 N -6.20 2.65 -1.03 1.25 0.08 -1.26 -1.77 117.98 111.69 1j3s s PHE 36 Ca -0.14 1.00 0.00 0.00 0.12 0.00 0.00 56.93 57.91 1j3s s PHE 36 Cb 0.16 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 1j3s s PHE 36 CO 0.72 -3.27 0.00 0.41 -0.10 0.00 0.00 175.22 172.97 1j3s n GLY 37 N 1.17 0.66 2.92 4.36 0.00 -1.25 -4.99 105.19 108.06 1j3s n GLY 37 Ca 0.04 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.58 0.13 0.87 1.61 3.52 -0.73 -5.07 118.95 115.70 1j3s s ARG 38 Ca 0.00 0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 56.09 1j3s s ARG 38 Cb 0.00 -0.30 0.11 0.00 -1.56 0.00 0.00 34.95 33.20 1j3s s ARG 38 CO 0.00 -0.36 1.09 -1.59 -0.81 0.00 0.00 175.30 173.63 1j3s s LYS 39 N 2.37 1.49 1.11 5.12 -2.85 -1.26 -4.19 119.74 121.53 1j3s s LYS 39 Ca 0.03 0.82 -0.13 0.00 -1.00 0.00 0.00 55.97 55.69 1j3s s LYS 39 Cb -0.13 -1.84 0.25 0.00 -2.06 0.00 0.00 37.83 34.06 1j3s s LYS 39 CO -0.09 -2.08 1.05 0.99 0.10 0.00 0.00 175.35 175.33 1j3s s THR 40 N -2.97 2.05 -0.13 3.79 2.01 -1.26 -4.61 115.64 114.51 1j3s s THR 40 Ca 0.63 0.02 -0.04 0.00 0.31 0.00 0.00 61.69 62.61 1j3s s THR 40 Cb -0.17 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1j3s s THR 40 CO 0.56 -0.02 0.14 0.61 -0.69 0.00 0.00 174.62 175.22 1j3s n GLY 41 N 0.18 -1.73 0.00 4.40 0.00 -1.26 -4.61 105.19 102.16 1j3s n GLY 41 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.20 0.00 -2.73 1.61 -0.06 -1.26 -5.07 117.38 109.67 1j3s n GLN 42 Ca 0.03 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.62 1j3s n GLN 42 Cb 0.10 -0.28 -0.05 0.00 -4.06 0.00 0.00 30.24 25.95 1j3s n GLN 42 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j3s s ALA 43 N -1.00 3.28 0.00 1.69 0.00 -1.26 -5.00 121.76 119.46 1j3s s ALA 43 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1j3s s ALA 43 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1j3s s ALA 43 CO 0.00 0.04 0.03 -0.35 0.00 0.00 0.00 175.76 175.48 1j3s n PRO 44 N 2.37 0.00 -0.40 0.00 -0.04 -1.26 -4.06 135.00 131.60 1j3s n PRO 44 Ca 0.01 0.15 0.36 0.00 -0.04 0.00 0.00 63.50 63.99 1j3s n PRO 44 Cb 0.48 -0.68 0.64 0.00 -0.04 0.00 0.00 33.50 33.91 1j3s n PRO 44 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1j3s h GLY 45 N 0.00 1.80 -4.76 0.55 0.00 -2.02 -3.34 103.07 95.30 1j3s h GLY 45 Ca 0.00 -0.12 -0.56 0.00 0.00 0.00 0.00 47.33 46.65 1j3s h GLY 45 CO 0.00 -0.63 0.58 -0.47 0.00 0.00 0.00 176.54 176.01 1j3s s TYR 46 N -5.39 3.50 -1.13 5.60 6.14 -1.26 -4.92 117.35 119.90 1j3s s TYR 46 Ca -0.08 1.58 -0.07 0.00 0.64 0.00 0.00 57.07 59.14 1j3s s TYR 46 Cb 0.32 -3.19 0.01 0.00 0.42 0.00 0.00 41.96 39.53 1j3s s TYR 46 CO 0.80 -0.24 2.75 -1.13 0.64 0.00 0.00 175.55 178.37 1j3s n SER 47 N 5.09 7.71 -2.55 4.32 3.41 -1.26 -4.70 113.62 125.64 1j3s n SER 47 Ca 0.09 -2.92 -0.26 0.00 -0.26 0.00 0.00 58.87 55.52 1j3s n SER 47 Cb 0.49 -1.40 -0.01 0.00 -0.26 0.00 0.00 64.21 63.03 1j3s n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1j3s n TYR 48 N 2.19 -1.01 -1.72 7.33 4.02 -1.26 -4.52 117.16 122.20 1j3s n TYR 48 Ca 0.63 0.42 -0.24 0.00 -0.01 0.00 0.00 57.90 58.70 1j3s n TYR 48 Cb 0.36 -1.07 -0.05 0.00 -0.02 0.00 0.00 39.34 38.55 1j3s n TYR 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1j3s s THR 49 N -0.89 3.14 0.35 -0.72 -4.23 -1.26 -4.75 115.64 107.27 1j3s s THR 49 Ca 0.36 -0.06 0.23 0.00 -1.18 0.00 0.00 61.69 61.04 1j3s s THR 49 Cb -0.42 -3.32 0.36 0.00 1.34 0.00 0.00 72.50 70.46 1j3s s THR 49 CO 0.36 -0.30 1.34 0.00 -0.54 0.00 0.00 174.62 175.47 1j3s n ALA 50 N 16.46 1.02 -0.03 3.99 0.00 -1.26 -0.90 120.51 139.79 1j3s n ALA 50 Ca 0.40 0.80 -0.01 0.00 0.00 0.00 0.00 53.44 54.64 1j3s n ALA 50 Cb 0.48 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1j3s n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3s h ALA 51 N 1.52 -0.10 -0.87 0.00 0.00 -1.85 0.53 119.26 118.50 1j3s h ALA 51 Ca 0.74 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.88 1j3s h ALA 51 Cb 2.17 0.97 -0.14 0.00 0.00 0.00 0.00 17.79 20.79 1j3s h ALA 51 CO -0.52 -0.12 0.17 -0.91 0.00 0.00 0.00 179.25 177.87 1j3s h ASN 52 N -0.01 -0.11 0.00 0.00 2.35 -1.34 0.43 115.58 116.90 1j3s h ASN 52 Ca 0.01 0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1j3s h ASN 52 Cb 0.03 0.30 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1j3s h ASN 52 CO -0.06 -0.18 0.00 1.17 -1.65 0.00 0.00 177.43 176.70 1j3s n LYS 53 N -5.28 0.00 0.14 0.81 0.00 0.17 -2.14 118.16 111.86 1j3s n LYS 53 Ca 0.20 0.39 0.08 0.00 0.00 0.00 0.00 58.31 58.98 1j3s n LYS 53 Cb 0.66 -1.28 0.41 0.00 0.00 0.00 0.00 35.03 34.82 1j3s n LYS 53 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1j3s n ASN 54 N -1.51 0.39 0.13 3.14 0.23 -0.05 -1.65 115.26 115.95 1j3s n ASN 54 Ca 0.00 0.63 0.08 0.00 -0.53 0.00 0.00 54.58 54.77 1j3s n ASN 54 Cb 0.00 -0.65 0.45 0.00 -2.08 0.00 0.00 39.78 37.50 1j3s n ASN 54 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1j3s n LYS 55 N -2.05 0.11 -3.27 -3.83 3.00 0.12 -4.83 118.16 107.40 1j3s n LYS 55 Ca -0.01 0.60 -0.15 0.00 -0.00 0.00 0.00 58.31 58.75 1j3s n LYS 55 Cb 0.14 -1.88 0.07 0.00 0.00 0.00 0.00 35.03 33.36 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 -1.33 -1.07 2.81 3.14 0.00 -0.66 -5.01 105.19 103.08 1j3s n GLY 56 Ca -0.01 0.53 -0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.39 0.57 -0.64 -0.61 -1.16 -1.26 -5.09 121.20 109.63 1j3s s ILE 57 Ca 0.40 -0.01 -0.24 0.00 -0.51 0.00 0.00 60.65 60.29 1j3s s ILE 57 Cb -0.05 -0.68 0.05 0.00 0.61 0.00 0.00 42.46 42.38 1j3s s ILE 57 CO 0.74 0.29 1.05 -0.51 -2.81 0.00 0.00 174.94 173.70 1j3s s ILE 58 N 1.86 4.18 -0.65 2.00 1.10 -1.26 -4.31 121.20 124.11 1j3s s ILE 58 Ca 0.04 0.10 -0.39 0.00 -0.51 0.00 0.00 60.65 59.90 1j3s s ILE 58 Cb -0.12 -4.70 -0.19 0.00 0.15 0.00 0.00 42.46 37.59 1j3s s ILE 58 CO -0.06 -1.44 2.33 0.79 -2.11 0.00 0.00 174.94 174.45 1j3s n TRP 59 N 8.09 1.00 -2.99 3.50 5.03 -1.26 -4.80 117.44 126.01 1j3s n TRP 59 Ca 0.00 0.60 0.00 0.00 3.03 0.00 0.00 57.50 61.13 1j3s n TRP 59 Cb 0.47 -2.34 0.00 0.00 -1.03 0.00 0.00 31.31 28.41 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 7.08 7.25 0.10 6.99 0.00 -1.26 -3.85 105.19 121.50 1j3s n GLY 60 Ca 0.57 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 1j3s n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j3s h GLU 61 N 0.00 -0.13 -0.10 1.61 5.08 -1.98 -2.72 114.58 116.34 1j3s h GLU 61 Ca 0.00 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1j3s h GLU 61 Cb 0.00 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1j3s h GLU 61 CO 0.00 -0.04 -0.81 -0.44 -1.00 0.00 0.00 179.01 176.72 1j3s h ASP 62 N -1.03 0.77 0.20 1.42 5.19 -1.98 -2.08 116.42 118.92 1j3s h ASP 62 Ca -0.01 -0.53 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 1j3s h ASP 62 Cb 0.15 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1j3s h ASP 62 CO 0.02 1.31 -0.10 0.74 -3.12 0.00 0.00 179.24 178.10 1j3s h THR 63 N 0.42 0.82 -0.60 0.35 2.02 -1.90 -2.59 112.91 111.43 1j3s h THR 63 Ca -0.06 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1j3s h THR 63 Cb 1.43 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1j3s h THR 63 CO 0.16 0.02 0.22 0.25 0.37 0.00 0.00 175.52 176.54 1j3s h LEU 64 N -0.32 0.82 -1.22 2.58 6.46 -1.54 -2.15 115.31 119.94 1j3s h LEU 64 Ca -0.03 -0.12 0.16 0.00 -0.12 0.00 0.00 57.88 57.77 1j3s h LEU 64 Cb 0.25 -0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 39.89 1j3s h LEU 64 CO 0.05 0.75 0.60 -0.03 -0.62 0.00 0.00 178.44 179.18 1j3s h MET 65 N 0.87 0.70 0.37 1.25 4.05 -1.00 0.13 114.93 121.30 1j3s h MET 65 Ca 0.20 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1j3s h MET 65 Cb 0.20 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1j3s h MET 65 CO -0.01 0.46 -0.18 1.49 0.23 0.00 0.00 176.91 178.90 1j3s h GLU 66 N 0.72 -0.48 0.00 0.39 4.22 -1.04 -1.78 114.58 116.62 1j3s h GLU 66 Ca 0.48 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.96 1j3s h GLU 66 Cb 0.77 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1j3s h GLU 66 CO -0.24 -0.17 0.00 0.98 -2.18 0.00 0.00 179.01 177.39 1j3s n TYR 67 N -5.13 0.53 -0.08 0.92 4.19 -0.96 -1.87 117.16 114.76 1j3s n TYR 67 Ca -0.09 0.27 -0.18 0.00 3.31 0.00 0.00 57.90 61.21 1j3s n TYR 67 Cb 0.27 -0.93 -0.12 0.00 0.49 0.00 0.00 39.34 39.04 1j3s n TYR 67 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1j3s h LEU 68 N 0.00 0.01 -2.70 2.98 5.85 -0.55 0.19 115.31 121.10 1j3s h LEU 68 Ca 0.00 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1j3s h LEU 68 Cb 0.03 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1j3s h LEU 68 CO 0.00 1.27 0.04 -0.08 -0.34 0.00 0.00 178.44 179.33 1j3s h GLU 69 N -0.98 0.00 -0.94 1.25 4.81 -0.75 -3.35 114.58 114.62 1j3s h GLU 69 Ca -0.18 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1j3s h GLU 69 Cb 1.18 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.36 1j3s h GLU 69 CO -0.10 0.00 -0.41 -0.80 -0.73 0.00 0.00 179.01 176.97 1j3s s ASN 70 N -5.46 -1.46 -0.09 1.04 0.01 -0.78 -4.19 114.94 104.00 1j3s s ASN 70 Ca -0.05 -0.52 -0.23 0.00 -0.71 0.00 0.00 52.86 51.35 1j3s s ASN 70 Cb 0.14 1.88 -0.20 0.00 0.41 0.00 0.00 41.25 43.48 1j3s s ASN 70 CO 0.45 -0.19 0.82 1.55 -1.51 0.00 0.00 177.10 178.23 1j3s h PRO 71 N 7.12 -0.06 0.00 -0.60 0.13 -0.75 -1.77 132.00 136.08 1j3s h PRO 71 Ca 0.03 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 1j3s h PRO 71 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1j3s h PRO 71 CO 0.10 0.59 -0.29 -0.22 -0.23 0.00 0.00 178.00 177.94 1j3s h LYS 72 N -0.86 0.00 0.07 0.86 3.11 -1.82 -2.08 116.57 115.86 1j3s h LYS 72 Ca -0.01 0.00 -0.29 0.00 -2.81 0.00 0.00 60.65 57.55 1j3s h LYS 72 Cb 0.67 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 31.93 1j3s h LYS 72 CO 0.01 0.29 -1.17 0.87 -2.81 0.00 0.00 179.45 176.64 1j3s h LYS 73 N 0.00 0.66 0.41 1.90 1.57 -1.93 -3.33 116.57 115.85 1j3s h LYS 73 Ca -0.00 -0.81 -0.02 0.00 -1.87 0.00 0.00 60.65 57.95 1j3s h LYS 73 Cb 0.73 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.29 1j3s h LYS 73 CO 0.04 1.36 -0.20 -0.92 -0.57 0.00 0.00 179.45 179.16 1j3s h TYR 74 N 0.32 -0.51 -3.31 -1.35 3.20 -1.16 -3.43 116.97 110.73 1j3s h TYR 74 Ca -0.17 -0.01 -0.66 0.00 3.14 0.00 0.00 58.73 61.03 1j3s h TYR 74 Cb 1.84 0.17 -0.28 0.00 1.54 0.00 0.00 36.73 39.99 1j3s h TYR 74 CO 0.11 -0.32 -0.76 0.42 -1.64 0.00 0.00 178.16 175.97 1j3s s ILE 75 N -3.55 3.02 -1.32 1.81 1.01 -0.80 -5.02 121.20 116.34 1j3s s ILE 75 Ca -0.08 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.76 1j3s s ILE 75 Cb 0.01 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1j3s s ILE 75 CO 0.24 0.49 2.13 -0.81 0.00 0.00 0.00 174.94 176.99 1j3s n PRO 76 N 4.10 2.63 0.21 2.79 -0.04 -1.25 -3.97 135.00 139.47 1j3s n PRO 76 Ca -0.19 -2.54 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1j3s n PRO 76 Cb 0.52 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 4.33 -1.65 3.24 0.55 0.00 -1.26 -4.72 105.19 105.68 1j3s n GLY 77 Ca 0.51 0.32 -0.38 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.33 0.35 0.06 2.61 5.66 -1.25 -4.88 114.28 113.49 1j3s n THR 78 Ca 0.00 -0.49 0.02 0.00 -3.05 0.00 0.00 64.05 60.53 1j3s n THR 78 Cb 0.00 -0.13 0.04 0.00 -1.55 0.00 0.00 70.33 68.70 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 1.35 1.36 -2.53 1.09 4.01 -1.26 -4.75 118.16 117.42 1j3s n LYS 79 Ca 0.07 -1.27 -0.43 0.00 -0.51 0.00 0.00 58.31 56.17 1j3s n LYS 79 Cb 0.49 -1.10 -0.02 0.00 -0.51 0.00 0.00 35.03 33.89 1j3s n LYS 79 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j3s s MET 80 N -0.71 4.20 -0.96 1.97 0.23 -1.26 -4.90 119.30 117.88 1j3s s MET 80 Ca 0.08 1.46 -0.05 0.00 -1.03 0.00 0.00 55.69 56.15 1j3s s MET 80 Cb 0.04 -3.72 0.09 0.00 -1.53 0.00 0.00 34.83 29.71 1j3s s MET 80 CO 0.06 -0.73 2.57 -0.89 -2.03 0.00 0.00 175.02 174.00 1j3s n ILE 81 N 5.46 4.44 -2.78 3.16 5.41 -1.26 -4.61 119.36 129.19 1j3s n ILE 81 Ca 0.13 -3.73 -0.34 0.00 1.00 0.00 0.00 62.75 59.81 1j3s n ILE 81 Cb 0.46 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 37.43 1j3s n ILE 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1j3s s PHE 82 N -1.31 3.37 0.00 1.39 5.36 -1.26 -5.07 117.98 120.47 1j3s s PHE 82 Ca 0.56 1.65 0.00 0.00 -0.96 0.00 0.00 56.93 58.18 1j3s s PHE 82 Cb 0.27 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 1j3s s PHE 82 CO -0.14 -0.11 0.00 1.33 -1.46 0.00 0.00 175.22 174.84 1j3s n VAL 83 N -0.37 0.00 -3.92 3.12 0.24 -1.26 -4.74 118.33 111.41 1j3s n VAL 83 Ca 0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.13 1j3s n VAL 83 Cb 0.53 -1.45 -0.17 0.00 -1.47 0.00 0.00 33.84 31.28 1j3s n VAL 83 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1j3s s GLY 84 N -0.88 0.53 0.15 7.63 0.00 -1.26 -4.48 107.32 109.02 1j3s s GLY 84 Ca 0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.23 1j3s s GLY 84 CO 0.00 0.87 1.12 -0.42 0.00 0.00 0.00 173.10 174.67 1j3s s ILE 85 N 1.61 3.91 0.01 0.90 1.01 -1.26 -4.93 121.20 122.45 1j3s s ILE 85 Ca 0.00 1.57 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1j3s s ILE 85 Cb -0.13 -4.00 -0.26 0.00 0.01 0.00 0.00 42.46 38.08 1j3s s ILE 85 CO -0.04 0.23 0.87 0.50 0.00 0.00 0.00 174.94 176.51 1j3s h LYS 86 N 5.51 0.17 -6.21 2.79 3.64 -2.03 -3.43 116.57 117.02 1j3s h LYS 86 Ca -0.44 -0.30 -0.54 0.00 -1.27 0.00 0.00 60.65 58.10 1j3s h LYS 86 Cb 1.21 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1j3s h LYS 86 CO 0.74 1.00 1.27 0.21 -2.27 0.00 0.00 179.45 180.40 1j3s s LYS 87 N -2.63 3.10 0.53 1.90 2.47 -1.26 -4.82 119.74 119.03 1j3s s LYS 87 Ca -0.07 1.00 0.23 0.00 -1.56 0.00 0.00 55.97 55.56 1j3s s LYS 87 Cb 0.07 -4.24 1.43 0.00 -1.46 0.00 0.00 37.83 33.63 1j3s s LYS 87 CO 0.84 -2.15 2.13 -0.22 0.16 0.00 0.00 175.35 176.11 1j3s h LYS 88 N 13.24 0.00 0.32 4.03 3.11 -2.00 -2.61 116.57 132.67 1j3s h LYS 88 Ca -0.30 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.53 1j3s h LYS 88 Cb 1.15 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1j3s h LYS 88 CO 1.12 0.07 -0.20 0.93 -2.81 0.00 0.00 179.45 178.56 1j3s h GLU 89 N 0.00 -0.48 -0.22 1.90 3.07 -1.98 -1.59 114.58 115.26 1j3s h GLU 89 Ca -0.00 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1j3s h GLU 89 Cb 0.16 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1j3s h GLU 89 CO 0.01 -0.32 -0.00 0.93 -1.40 0.00 0.00 179.01 178.22 1j3s h GLU 90 N -0.50 0.33 -0.61 2.33 5.08 -1.88 -2.24 114.58 117.09 1j3s h GLU 90 Ca -0.03 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1j3s h GLU 90 Cb 0.41 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1j3s h GLU 90 CO 0.04 0.36 0.39 -0.09 -1.00 0.00 0.00 179.01 178.71 1j3s h ARG 91 N 0.32 0.76 -0.65 2.33 1.12 -1.03 -2.05 114.38 115.19 1j3s h ARG 91 Ca 0.07 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1j3s h ARG 91 Cb 0.23 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 29.99 1j3s h ARG 91 CO 0.01 0.50 0.41 0.00 -3.11 0.00 0.00 179.97 177.78 1j3s h ALA 92 N 1.25 0.82 -0.92 2.80 0.00 -0.70 -1.68 119.26 120.83 1j3s h ALA 92 Ca 0.24 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.24 1j3s h ALA 92 Cb -0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 17.42 1j3s h ALA 92 CO -0.08 0.27 0.59 -0.44 0.00 0.00 0.00 179.25 179.59 1j3s h ASP 93 N 0.88 0.66 0.23 0.00 5.19 -1.17 -0.17 116.42 122.03 1j3s h ASP 93 Ca 0.23 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 1j3s h ASP 93 Cb -0.06 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1j3s h ASP 93 CO -0.05 0.31 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.20 1j3s h LEU 94 N 0.68 -0.26 0.00 1.55 3.38 -0.95 -2.11 115.31 117.60 1j3s h LEU 94 Ca 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1j3s h LEU 94 Cb 0.80 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1j3s h LEU 94 CO -0.23 0.07 0.00 -0.38 0.09 0.00 0.00 178.44 177.99 1j3s n ILE 95 N -5.09 0.00 -0.27 1.22 2.08 -0.67 -2.73 119.36 113.91 1j3s n ILE 95 Ca -0.09 0.94 0.24 0.00 0.56 0.00 0.00 62.75 64.40 1j3s n ILE 95 Cb 0.23 -1.85 0.43 0.00 -0.75 0.00 0.00 39.64 37.71 1j3s n ILE 95 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1j3s n ALA 96 N -0.62 0.81 0.26 -1.39 0.00 -0.17 0.84 120.51 120.24 1j3s n ALA 96 Ca 0.00 0.66 -0.16 0.00 0.00 0.00 0.00 53.44 53.94 1j3s n ALA 96 Cb 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 18.65 1j3s n ALA 96 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j3s h TYR 97 N 0.00 -1.00 0.00 0.00 3.20 -1.29 -1.18 116.97 116.71 1j3s h TYR 97 Ca 0.60 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.47 1j3s h TYR 97 Cb 1.73 0.38 0.00 0.00 1.54 0.00 0.00 36.73 40.37 1j3s h TYR 97 CO -0.01 -0.53 0.00 1.28 -1.64 0.00 0.00 178.16 177.27 1j3s n LEU 98 N -5.48 0.58 0.14 2.82 4.77 0.25 -1.20 117.00 118.88 1j3s n LEU 98 Ca -0.11 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.60 1j3s n LEU 98 Cb 0.38 -0.47 0.43 0.00 -2.33 0.00 0.00 43.42 41.44 1j3s n LEU 98 CO 0.30 -0.33 0.88 0.50 -1.33 0.00 0.00 177.39 177.41 1j3s h LYS 99 N 0.00 0.00 0.00 3.23 3.11 0.21 0.35 116.57 123.48 1j3s h LYS 99 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1j3s h LYS 99 Cb 0.50 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1j3s h LYS 99 CO 0.00 0.00 -1.45 1.63 -2.81 0.00 0.00 179.45 176.82 1j3s n LYS 100 N -2.43 1.33 -0.11 1.90 5.02 -0.67 -0.85 118.16 122.36 1j3s n LYS 100 Ca 0.04 -0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1j3s n LYS 100 Cb 0.36 -1.20 -0.11 0.00 -0.02 0.00 0.00 35.03 34.06 1j3s n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j3s n ALA 101 N -2.01 0.97 -1.46 7.82 0.00 -0.34 -3.62 120.51 121.87 1j3s n ALA 101 Ca -0.06 -0.75 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 1j3s n ALA 101 Cb 0.45 -0.29 0.17 0.00 0.00 0.00 0.00 19.45 19.77 1j3s n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j3s n THR 102 N -4.24 2.81 0.00 0.00 -2.24 0.07 -4.63 114.28 106.04 1j3s n THR 102 Ca -0.41 -2.76 0.00 0.00 -2.27 0.00 0.00 64.05 58.61 1j3s n THR 102 Cb 0.80 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.07 0.00 0.00 3.42 4.05 -0.91 -4.51 115.26 116.24 1j3s n ASN 103 Ca 0.43 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.46 1j3s n ASN 103 Cb 1.12 0.23 0.00 0.00 1.23 0.00 0.00 39.78 42.36 1j3s n ASN 103 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42