#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j0q s PHE 5 N 0.00 2.55 -0.21 -0.67 5.36 -1.26 -1.94 117.98 121.81 2j0q s PHE 5 Ca 0.00 -0.26 -0.24 0.00 -0.96 0.00 0.00 56.93 55.47 2j0q s PHE 5 Cb 0.00 -1.41 0.06 0.00 -0.34 0.00 0.00 43.02 41.34 2j0q s PHE 5 CO 0.00 0.32 0.65 -0.47 -1.46 0.00 0.00 175.22 174.26 2j0q s TYR 6 N -1.03 -0.70 -0.26 10.12 5.04 -0.12 -2.31 117.35 128.10 2j0q s TYR 6 Ca 0.16 1.63 -0.19 0.00 -2.44 0.00 0.00 57.07 56.24 2j0q s TYR 6 Cb -0.11 0.27 0.07 0.00 0.35 0.00 0.00 41.96 42.54 2j0q s TYR 6 CO 0.08 -0.39 0.66 -1.17 -1.34 0.00 0.00 175.55 173.39 2j0q s LEU 7 N 0.07 -0.72 -0.03 6.97 2.96 -0.93 -1.16 118.68 125.84 2j0q s LEU 7 Ca -0.02 1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 55.27 2j0q s LEU 7 Cb -0.04 2.28 0.01 0.00 0.50 0.00 0.00 46.19 48.95 2j0q s LEU 7 CO 0.02 -0.23 0.06 -0.60 -1.32 0.00 0.00 176.35 174.28 2j0q s ARG 8 N 1.02 0.05 0.19 1.98 3.52 -0.27 -0.44 118.95 125.00 2j0q s ARG 8 Ca -0.05 0.14 0.11 0.00 -0.13 0.00 0.00 55.73 55.80 2j0q s ARG 8 Cb -0.05 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.25 2j0q s ARG 8 CO -0.10 -0.06 -0.24 -0.47 -0.81 0.00 0.00 175.30 173.63 2j0q s TYR 9 N 0.36 2.27 -0.01 5.12 5.04 -0.42 -1.15 117.35 128.56 2j0q s TYR 9 Ca -0.03 -0.37 -0.17 0.00 -2.44 0.00 0.00 57.07 54.07 2j0q s TYR 9 Cb -0.04 -1.13 0.03 0.00 0.35 0.00 0.00 41.96 41.17 2j0q s TYR 9 CO -0.01 0.49 0.36 -0.47 -1.34 0.00 0.00 175.55 174.58 2j0q s TYR 10 N -1.67 -0.24 -0.26 4.97 5.04 0.54 -2.41 117.35 123.33 2j0q s TYR 10 Ca 0.20 0.33 -0.16 0.00 -2.44 0.00 0.00 57.07 55.00 2j0q s TYR 10 Cb -0.08 0.15 0.07 0.00 0.35 0.00 0.00 41.96 42.45 2j0q s TYR 10 CO 0.10 -0.45 0.64 0.54 -1.34 0.00 0.00 175.55 175.03 2j0q s VAL 11 N -1.56 -0.00 0.00 3.14 0.11 -1.01 -1.40 120.40 119.67 2j0q s VAL 11 Ca -0.11 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2j0q s VAL 11 Cb -0.04 -0.92 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2j0q s VAL 11 CO 0.03 0.01 0.24 0.61 -3.33 0.00 0.00 175.10 172.66 2j0q n GLY 12 N 4.02 0.65 3.77 6.54 0.00 -0.94 -1.36 105.19 117.87 2j0q n GLY 12 Ca -0.19 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 2j0q n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2j0q s HIS 13 N -3.25 -0.05 -0.24 1.61 -3.43 -0.24 -1.53 115.29 108.17 2j0q s HIS 13 Ca 0.06 -0.23 -0.03 0.00 -0.80 0.00 0.00 55.06 54.06 2j0q s HIS 13 Cb -0.00 0.63 0.08 0.00 -1.43 0.00 0.00 32.58 31.86 2j0q s HIS 13 CO 0.00 -0.70 0.07 0.15 -2.00 0.00 0.00 174.74 172.26 2j0q s LYS 14 N -2.73 0.57 0.00 -0.38 1.02 -1.26 -0.39 119.74 116.58 2j0q s LYS 14 Ca 0.16 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.56 2j0q s LYS 14 Cb -0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 2j0q s LYS 14 CO 0.02 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.06 2j0q n GLY 15 N 5.04 5.25 0.00 -3.33 0.00 -0.60 -5.00 105.19 106.55 2j0q n GLY 15 Ca -0.07 -1.39 0.02 0.00 0.00 0.00 0.00 46.02 44.58 2j0q n GLY 15 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2j0q n LYS 16 N 0.00 0.08 -0.70 1.61 2.85 -1.26 -0.82 118.16 119.92 2j0q n LYS 16 Ca 0.00 0.18 -0.01 0.00 -1.05 0.00 0.00 58.31 57.43 2j0q n LYS 16 Cb 0.00 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.09 2j0q n LYS 16 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2j0q n PHE 17 N -1.20 1.06 -2.26 5.58 3.72 -1.26 -4.97 117.46 118.12 2j0q n PHE 17 Ca 0.02 -1.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.02 2j0q n PHE 17 Cb 0.03 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.12 2j0q n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j0q n GLY 18 N -0.98 -0.74 3.40 1.37 0.00 -0.00 -1.49 105.19 106.76 2j0q n GLY 18 Ca 0.30 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 2j0q n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2j0q s HIS 19 N 0.00 3.32 -0.36 1.61 5.65 -1.26 -1.55 115.29 122.69 2j0q s HIS 19 Ca 0.00 -1.53 -0.22 0.00 0.25 0.00 0.00 55.06 53.56 2j0q s HIS 19 Cb 0.00 -4.10 0.01 0.00 -1.18 0.00 0.00 32.58 27.31 2j0q s HIS 19 CO 0.00 -1.30 0.71 -1.21 -0.65 0.00 0.00 174.74 172.29 2j0q s GLU 20 N 1.86 3.71 0.12 2.88 2.02 0.48 -4.45 118.70 125.31 2j0q s GLU 20 Ca 0.25 0.18 -0.11 0.00 0.02 0.00 0.00 54.97 55.31 2j0q s GLU 20 Cb -0.09 -3.81 0.01 0.00 0.10 0.00 0.00 34.13 30.34 2j0q s GLU 20 CO -0.07 -0.80 0.27 -0.59 0.02 0.00 0.00 175.26 174.09 2j0q s PHE 21 N 2.91 0.10 -0.16 1.61 -0.12 -0.81 -1.07 117.98 120.43 2j0q s PHE 21 Ca 0.28 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 2j0q s PHE 21 Cb -0.14 0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.34 2j0q s PHE 21 CO 0.16 -0.63 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.50 2j0q s LEU 22 N -2.87 1.40 -0.02 -1.99 0.20 -0.46 -0.06 118.68 114.88 2j0q s LEU 22 Ca 0.07 -0.64 0.03 0.00 0.69 0.00 0.00 54.13 54.27 2j0q s LEU 22 Cb 0.04 -0.78 -0.00 0.00 -0.43 0.00 0.00 46.19 45.02 2j0q s LEU 22 CO -0.09 -0.22 -0.11 -0.70 -0.29 0.00 0.00 176.35 174.95 2j0q s GLU 23 N 1.73 1.07 0.04 1.98 2.12 0.15 -2.41 118.70 123.38 2j0q s GLU 23 Ca 0.01 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.97 2j0q s GLU 23 Cb -0.15 -0.99 -0.03 0.00 0.26 0.00 0.00 34.13 33.22 2j0q s GLU 23 CO -0.07 0.16 -0.04 -0.59 -0.54 0.00 0.00 175.26 174.17 2j0q s PHE 24 N 0.07 0.45 0.00 5.30 -0.12 -1.01 0.07 117.98 122.75 2j0q s PHE 24 Ca -0.01 -0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 56.20 2j0q s PHE 24 Cb -0.08 -0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 2j0q s PHE 24 CO 0.00 -0.19 0.02 -2.00 -0.05 0.00 0.00 175.22 173.00 2j0q s GLU 25 N -2.10 0.23 -0.28 1.99 2.12 0.17 -1.31 118.70 119.52 2j0q s GLU 25 Ca -0.08 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 54.92 2j0q s GLU 25 Cb -0.06 0.09 0.08 0.00 0.26 0.00 0.00 34.13 34.51 2j0q s GLU 25 CO -0.03 -0.04 0.03 -0.06 -0.54 0.00 0.00 175.26 174.63 2j0q s PHE 26 N -0.88 2.31 0.49 5.30 0.08 0.42 -2.54 117.98 123.15 2j0q s PHE 26 Ca -0.10 -1.94 -0.12 0.00 0.12 0.00 0.00 56.93 54.89 2j0q s PHE 26 Cb -0.06 -1.87 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2j0q s PHE 26 CO -0.00 -0.84 0.89 1.03 -0.10 0.00 0.00 175.22 176.20 2j0q s ARG 27 N 1.41 3.78 0.46 0.44 0.52 -0.82 -2.19 118.95 122.55 2j0q s ARG 27 Ca 0.04 0.65 0.15 0.00 -0.52 0.00 0.00 55.73 56.05 2j0q s ARG 27 Cb -0.18 -2.25 1.11 0.00 0.52 0.00 0.00 34.95 34.15 2j0q s ARG 27 CO -0.14 -0.23 2.03 -1.00 0.02 0.00 0.00 175.30 175.98 2j0q h PRO 28 N 0.75 0.28 -2.10 3.54 0.13 -1.81 -1.15 132.00 131.64 2j0q h PRO 28 Ca -0.46 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 2j0q h PRO 28 Cb 1.19 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 2j0q h PRO 28 CO 0.62 0.18 -0.27 -0.40 -0.23 0.00 0.00 178.00 177.91 2j0q n ASP 29 N -4.47 4.69 -2.77 1.44 5.75 -1.26 -4.78 116.55 115.15 2j0q n ASP 29 Ca 0.06 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 2j0q n ASP 29 Cb 0.31 -1.25 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 2j0q n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j0q n GLY 30 N 2.48 0.00 3.82 6.12 0.00 -0.44 -4.81 105.19 112.36 2j0q n GLY 30 Ca 0.35 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 2j0q n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j0q s LYS 31 N -3.59 3.81 -0.54 1.61 2.20 -1.21 0.89 119.74 122.91 2j0q s LYS 31 Ca 0.00 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.66 2j0q s LYS 31 Cb 0.00 -3.26 0.14 0.00 -1.51 0.00 0.00 37.83 33.20 2j0q s LYS 31 CO 0.00 0.61 0.34 -1.17 -0.36 0.00 0.00 175.35 174.76 2j0q s LEU 32 N -0.64 5.15 -0.09 5.43 0.20 0.59 -1.94 118.68 127.38 2j0q s LEU 32 Ca 0.17 -2.58 -0.29 0.00 0.69 0.00 0.00 54.13 52.13 2j0q s LEU 32 Cb -0.14 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.79 2j0q s LEU 32 CO 0.06 -0.42 0.98 -0.13 -0.29 0.00 0.00 176.35 176.56 2j0q s ARG 33 N 0.34 4.43 0.14 1.98 0.52 -1.05 -1.79 118.95 123.52 2j0q s ARG 33 Ca 0.14 1.35 0.08 0.00 -0.52 0.00 0.00 55.73 56.78 2j0q s ARG 33 Cb -0.21 -3.53 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 2j0q s ARG 33 CO -0.04 -0.26 -0.17 -0.47 0.02 0.00 0.00 175.30 174.38 2j0q s TYR 34 N 1.83 1.67 -0.26 -0.53 5.04 0.63 0.41 117.35 126.14 2j0q s TYR 34 Ca 0.48 -0.48 -0.21 0.00 -2.44 0.00 0.00 57.07 54.42 2j0q s TYR 34 Cb -0.19 -0.86 0.07 0.00 0.35 0.00 0.00 41.96 41.33 2j0q s TYR 34 CO 0.19 0.24 0.67 0.00 -1.34 0.00 0.00 175.55 175.31 2j0q s ALA 35 N -1.85 -1.70 -0.10 3.97 0.00 0.11 -2.07 121.76 120.11 2j0q s ALA 35 Ca 0.11 2.04 0.03 0.00 0.00 0.00 0.00 51.96 54.15 2j0q s ALA 35 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2j0q s ALA 35 CO 0.05 -0.33 -0.21 1.21 0.00 0.00 0.00 175.76 176.48 2j0q s ASN 36 N 0.79 2.79 -0.01 0.00 3.84 -0.71 -0.67 114.94 120.96 2j0q s ASN 36 Ca -0.03 -0.51 0.04 0.00 0.21 0.00 0.00 52.86 52.57 2j0q s ASN 36 Cb -0.05 -1.28 -0.01 0.00 -0.55 0.00 0.00 41.25 39.37 2j0q s ASN 36 CO -0.06 0.11 -0.12 0.21 -2.79 0.00 0.00 177.10 174.45 2j0q s ASN 37 N 0.55 1.42 -0.20 -4.21 2.47 0.91 -0.13 114.94 115.76 2j0q s ASN 37 Ca -0.15 -0.22 -0.30 0.00 0.42 0.00 0.00 52.86 52.61 2j0q s ASN 37 Cb -0.17 -0.18 0.15 0.00 -1.45 0.00 0.00 41.25 39.60 2j0q s ASN 37 CO 0.05 0.14 1.12 -0.55 -3.72 0.00 0.00 177.10 174.15 2j0q s SER 38 N -0.24 -0.25 -0.19 -4.21 0.15 -1.26 -1.93 113.70 105.77 2j0q s SER 38 Ca 0.04 0.25 0.16 0.00 0.70 0.00 0.00 55.95 57.10 2j0q s SER 38 Cb -0.05 0.21 0.49 0.00 -1.71 0.00 0.00 66.02 64.96 2j0q s SER 38 CO -0.00 -0.25 1.38 0.59 1.20 0.00 0.00 173.24 176.16 2j0q n ASN 39 N 0.58 3.44 -4.62 5.45 3.02 -0.55 -3.17 115.26 119.41 2j0q n ASN 39 Ca -0.06 -3.14 -0.51 0.00 -0.03 0.00 0.00 54.58 50.83 2j0q n ASN 39 Cb 0.58 -0.54 -0.06 0.00 -0.61 0.00 0.00 39.78 39.15 2j0q n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j0q n TYR 40 N -0.75 2.04 -3.90 3.10 9.36 -1.25 -0.29 117.16 125.48 2j0q n TYR 40 Ca 0.22 0.21 -0.25 0.00 3.32 0.00 0.00 57.90 61.41 2j0q n TYR 40 Cb 0.87 -2.58 -0.00 0.00 -0.63 0.00 0.00 39.34 37.00 2j0q n TYR 40 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2j0q n LYS 41 N 6.83 -3.86 -1.52 2.98 5.02 -1.26 -1.77 118.16 124.57 2j0q n LYS 41 Ca 0.29 0.47 -0.15 0.00 -2.02 0.00 0.00 58.31 56.90 2j0q n LYS 41 Cb 0.24 -4.80 -0.06 0.00 -0.02 0.00 0.00 35.03 30.39 2j0q n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2j0q n ASN 42 N -2.98 -4.81 -4.57 4.39 3.02 0.60 -5.00 115.26 105.91 2j0q n ASN 42 Ca -0.27 0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2j0q n ASN 42 Cb 0.66 -3.68 0.22 0.00 -0.61 0.00 0.00 39.78 36.37 2j0q n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2j0q s ASP 43 N -2.79 1.77 0.39 6.41 -1.08 -0.73 -4.93 116.67 115.71 2j0q s ASP 43 Ca 0.00 1.61 0.08 0.00 -0.52 0.00 0.00 52.55 53.71 2j0q s ASP 43 Cb 0.00 -2.29 -0.06 0.00 -1.46 0.00 0.00 42.92 39.10 2j0q s ASP 43 CO 0.00 -3.72 0.05 0.68 0.52 0.00 0.00 175.17 172.69 2j0q s VAL 44 N -2.60 2.25 0.42 1.11 -7.23 -1.19 -4.04 120.40 109.13 2j0q s VAL 44 Ca 0.67 -1.93 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 2j0q s VAL 44 Cb -0.23 -2.92 -0.09 0.00 0.56 0.00 0.00 36.38 33.71 2j0q s VAL 44 CO 0.62 -0.07 1.37 -0.32 -0.31 0.00 0.00 175.10 176.39 2j0q s MET 45 N -3.76 3.85 -0.08 4.82 -2.45 -1.26 -4.28 119.30 116.14 2j0q s MET 45 Ca 0.36 2.30 0.03 0.00 -1.25 0.00 0.00 55.69 57.14 2j0q s MET 45 Cb 0.05 -2.73 -0.02 0.00 1.25 0.00 0.00 34.83 33.39 2j0q s MET 45 CO 0.19 -0.64 -0.17 0.42 1.05 0.00 0.00 175.02 175.87 2j0q s ILE 46 N -1.22 2.73 0.01 10.11 1.01 0.82 -5.02 121.20 129.63 2j0q s ILE 46 Ca 0.58 -0.82 0.04 0.00 0.00 0.00 0.00 60.65 60.45 2j0q s ILE 46 Cb -0.41 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.97 2j0q s ILE 46 CO 0.53 0.56 -0.11 -0.13 0.00 0.00 0.00 174.94 175.79 2j0q s ARG 47 N -0.19 0.83 -0.02 2.79 0.52 -1.26 -1.74 118.95 119.89 2j0q s ARG 47 Ca -0.01 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 2j0q s ARG 47 Cb -0.13 -0.80 0.01 0.00 0.52 0.00 0.00 34.95 34.55 2j0q s ARG 47 CO 0.03 0.21 -0.02 0.15 0.02 0.00 0.00 175.30 175.69 2j0q s LYS 48 N -0.66 0.31 0.06 3.54 1.02 -0.88 -5.00 119.74 118.14 2j0q s LYS 48 Ca 0.02 -0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.04 2j0q s LYS 48 Cb -0.06 -0.38 -0.03 0.00 -0.52 0.00 0.00 37.83 36.84 2j0q s LYS 48 CO 0.00 -0.02 -0.20 -1.21 -0.92 0.00 0.00 175.35 173.00 2j0q s GLU 49 N 0.43 1.24 0.07 1.68 2.02 -1.26 -0.27 118.70 122.60 2j0q s GLU 49 Ca -0.04 -0.99 -0.26 0.00 0.02 0.00 0.00 54.97 53.69 2j0q s GLU 49 Cb -0.07 -1.39 0.08 0.00 0.10 0.00 0.00 34.13 32.85 2j0q s GLU 49 CO -0.01 0.34 0.73 0.00 0.02 0.00 0.00 175.26 176.34 2j0q s ALA 50 N -0.94 -1.71 -0.13 5.21 0.00 -0.74 -4.97 121.76 118.49 2j0q s ALA 50 Ca 0.06 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 2j0q s ALA 50 Cb -0.09 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2j0q s ALA 50 CO 0.03 -0.68 -0.04 0.71 0.00 0.00 0.00 175.76 175.78 2j0q s TYR 51 N -3.14 3.02 0.22 0.00 2.02 -1.26 0.22 117.35 118.43 2j0q s TYR 51 Ca 0.01 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.61 2j0q s TYR 51 Cb -0.01 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2j0q s TYR 51 CO -0.09 0.10 0.09 0.14 -1.57 0.00 0.00 175.55 174.22 2j0q s VAL 52 N -0.03 4.02 0.61 0.71 -7.23 0.26 -4.96 120.40 113.77 2j0q s VAL 52 Ca 0.01 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 2j0q s VAL 52 Cb -0.13 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.66 2j0q s VAL 52 CO 0.03 -0.26 1.03 -2.28 -0.31 0.00 0.00 175.10 173.30 2j0q s HIS 53 N -2.03 3.38 0.61 2.82 2.46 -1.26 -4.60 115.29 116.66 2j0q s HIS 53 Ca 0.31 1.40 0.32 0.00 0.47 0.00 0.00 55.06 57.55 2j0q s HIS 53 Cb -0.08 -2.81 1.87 0.00 -0.13 0.00 0.00 32.58 31.43 2j0q s HIS 53 CO 0.22 -0.79 2.22 1.57 -2.47 0.00 0.00 174.74 175.49 2j0q h LYS 54 N 0.01 0.00 -0.55 2.88 -0.00 -1.99 -0.70 116.57 116.23 2j0q h LYS 54 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.17 2j0q h LYS 54 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.40 2j0q h LYS 54 CO 0.60 0.00 0.22 0.66 -0.00 0.00 0.00 179.45 180.93 2j0q h SER 55 N 0.00 0.72 -0.04 7.07 4.64 -1.98 0.45 113.55 124.41 2j0q h SER 55 Ca 0.02 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2j0q h SER 55 Cb 0.15 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2j0q h SER 55 CO -0.00 0.65 -0.09 0.58 -0.87 0.00 0.00 176.83 177.11 2j0q h VAL 56 N 0.78 1.42 -0.59 0.95 2.07 -1.49 -2.56 116.25 116.84 2j0q h VAL 56 Ca 0.19 -1.39 0.07 0.00 0.82 0.00 0.00 66.70 66.38 2j0q h VAL 56 Cb 0.16 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2j0q h VAL 56 CO -0.02 0.38 0.27 0.24 0.02 0.00 0.00 177.57 178.47 2j0q h MET 57 N -0.37 0.49 -0.13 1.57 2.07 -1.42 -1.53 114.93 115.61 2j0q h MET 57 Ca 0.00 -0.03 -0.07 0.00 -2.07 0.00 0.00 59.70 57.53 2j0q h MET 57 Cb 0.66 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.27 2j0q h MET 57 CO 0.02 0.33 -0.24 1.49 1.07 0.00 0.00 176.91 179.58 2j0q h GLU 58 N 0.51 0.23 0.00 1.72 4.57 -0.92 -1.11 114.58 119.58 2j0q h GLU 58 Ca 0.28 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.25 2j0q h GLU 58 Cb 0.25 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2j0q h GLU 58 CO -0.23 0.46 -0.65 1.49 -1.18 0.00 0.00 179.01 178.90 2j0q h GLU 59 N 0.21 0.00 -0.13 1.92 4.57 -1.07 -2.60 114.58 117.48 2j0q h GLU 59 Ca 0.04 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 2j0q h GLU 59 Cb 0.54 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2j0q h GLU 59 CO 0.04 0.65 -0.54 1.25 -1.18 0.00 0.00 179.01 179.23 2j0q h LEU 60 N 0.00 0.71 -1.82 1.64 5.85 -0.26 -1.64 115.31 119.78 2j0q h LEU 60 Ca -0.01 -0.62 0.02 0.00 0.84 0.00 0.00 57.88 58.11 2j0q h LEU 60 Cb 1.17 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2j0q h LEU 60 CO 0.08 1.21 0.15 0.50 -0.34 0.00 0.00 178.44 180.04 2j0q h LYS 61 N 0.25 0.23 -0.29 1.25 3.64 -1.27 -1.38 116.57 119.00 2j0q h LYS 61 Ca -0.03 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 2j0q h LYS 61 Cb 1.17 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2j0q h LYS 61 CO 0.11 0.15 -0.30 -0.09 -2.27 0.00 0.00 179.45 177.05 2j0q h ARG 62 N 0.24 0.72 -0.40 1.90 2.43 -1.20 -0.44 114.38 117.62 2j0q h ARG 62 Ca 0.09 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 2j0q h ARG 62 Cb 0.07 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2j0q h ARG 62 CO -0.02 1.00 -0.05 0.82 -1.51 0.00 0.00 179.97 180.21 2j0q h ILE 63 N 0.46 1.24 0.02 1.20 2.04 -0.53 -0.59 117.51 121.35 2j0q h ILE 63 Ca 0.04 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.90 2j0q h ILE 63 Cb 0.88 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2j0q h ILE 63 CO 0.07 0.34 -0.01 0.40 0.00 0.00 0.00 178.15 178.96 2j0q h ILE 64 N 0.63 1.29 -0.31 -0.67 1.08 -1.27 -2.83 117.51 115.43 2j0q h ILE 64 Ca 0.12 -0.97 0.07 0.00 -0.39 0.00 0.00 64.86 63.69 2j0q h ILE 64 Cb 0.47 1.95 -0.07 0.00 -3.07 0.00 0.00 36.82 36.09 2j0q h ILE 64 CO 0.02 0.25 -0.14 0.44 -0.69 0.00 0.00 178.15 178.03 2j0q h ASP 65 N -0.45 -0.48 0.68 1.72 3.32 -0.88 -2.73 116.42 117.60 2j0q h ASP 65 Ca -0.00 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2j0q h ASP 65 Cb 0.43 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2j0q h ASP 65 CO 0.00 -0.18 -0.26 0.44 -1.72 0.00 0.00 179.24 177.53 2j0q h ASP 66 N -0.09 0.00 1.08 6.45 3.32 -1.18 -2.58 116.42 123.41 2j0q h ASP 66 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 2j0q h ASP 66 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2j0q h ASP 66 CO -0.37 0.26 -0.10 0.77 -1.72 0.00 0.00 179.24 178.08 2j0q h SER 67 N 0.00 0.00 -6.44 6.45 4.64 -1.22 -3.47 113.55 113.51 2j0q h SER 67 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2j0q h SER 67 Cb 0.67 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.68 2j0q h SER 67 CO 0.03 0.10 -0.81 -0.62 -0.87 0.00 0.00 176.83 174.67 2j0q n GLU 68 N -3.22 -4.42 0.14 4.77 1.02 -0.97 -4.88 120.64 113.08 2j0q n GLU 68 Ca 0.01 0.50 -0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2j0q n GLU 68 Cb 0.38 -5.19 0.24 0.00 -0.02 0.00 0.00 31.44 26.85 2j0q n GLU 68 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2j0q h ILE 69 N -1.85 1.36 0.00 -3.67 6.09 -1.85 -3.12 117.51 114.46 2j0q h ILE 69 Ca -0.59 -1.74 0.00 0.00 -1.37 0.00 0.00 64.86 61.15 2j0q h ILE 69 Cb 1.38 1.92 0.00 0.00 0.47 0.00 0.00 36.82 40.58 2j0q h ILE 69 CO 0.69 0.50 0.00 0.35 -3.07 0.00 0.00 178.15 176.62 2j0q n THR 70 N -3.94 0.50 0.72 2.19 -2.24 -1.26 -0.94 114.28 109.32 2j0q n THR 70 Ca -0.02 0.13 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 2j0q n THR 70 Cb 0.53 -1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 67.67 2j0q n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2j0q n LYS 71 N -1.16 0.18 -2.40 -0.78 4.01 -1.18 -5.01 118.16 111.82 2j0q n LYS 71 Ca 0.04 -0.04 -0.25 0.00 -0.51 0.00 0.00 58.31 57.56 2j0q n LYS 71 Cb 0.04 -1.52 0.10 0.00 -0.51 0.00 0.00 35.03 33.13 2j0q n LYS 71 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2j0q s GLU 72 N -3.14 1.82 -0.15 1.97 0.41 -0.11 -5.13 118.70 114.36 2j0q s GLU 72 Ca 0.04 -0.73 -0.21 0.00 -0.41 0.00 0.00 54.97 53.66 2j0q s GLU 72 Cb 0.15 -2.25 0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2j0q s GLU 72 CO 0.85 -1.40 0.55 0.34 -0.49 0.00 0.00 175.26 175.11 2j0q s ASP 73 N -4.65 -0.55 0.00 -0.19 2.15 -1.26 -5.05 116.67 107.12 2j0q s ASP 73 Ca 0.64 0.91 0.28 0.00 0.43 0.00 0.00 52.55 54.81 2j0q s ASP 73 Cb -0.07 0.91 1.68 0.00 -0.30 0.00 0.00 42.92 45.14 2j0q s ASP 73 CO 0.45 -0.32 2.08 -0.90 -0.17 0.00 0.00 175.17 176.31 2j0q n ASP 74 N 2.18 0.00 -0.33 -0.34 5.68 -1.26 -4.50 116.55 117.98 2j0q n ASP 74 Ca -0.16 -1.10 0.21 0.00 -0.50 0.00 0.00 54.79 53.24 2j0q n ASP 74 Cb 0.56 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.95 2j0q n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2j0q h ALA 75 N 3.87 1.57 -0.04 2.12 0.00 -1.96 0.57 119.26 125.38 2j0q h ALA 75 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2j0q h ALA 75 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2j0q h ALA 75 CO 0.00 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.82 2j0q n LEU 76 N -5.38 2.84 -4.82 0.00 4.77 -1.26 -5.01 117.00 108.14 2j0q n LEU 76 Ca 0.29 -1.02 -0.30 0.00 -0.03 0.00 0.00 56.01 54.95 2j0q n LEU 76 Cb 0.96 -0.01 0.09 0.00 -2.33 0.00 0.00 43.42 42.13 2j0q n LEU 76 CO -0.03 0.49 0.72 0.26 -1.33 0.00 0.00 177.39 177.50 2j0q s TRP 77 N -1.81 2.88 0.36 -1.77 0.51 0.19 -4.45 118.94 114.86 2j0q s TRP 77 Ca 0.26 1.10 -0.28 0.00 -2.12 0.00 0.00 56.10 55.05 2j0q s TRP 77 Cb 0.18 -3.15 -0.12 0.00 -0.81 0.00 0.00 33.47 29.58 2j0q s TRP 77 CO 0.27 -1.73 1.37 -2.30 -0.51 0.00 0.00 176.95 174.06 2j0q n PRO 78 N -3.39 2.36 -2.86 4.98 -0.02 -1.26 -4.99 135.00 129.82 2j0q n PRO 78 Ca 0.07 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 62.03 2j0q n PRO 78 Cb 0.57 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 2j0q n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j0q s PRO 79 N -1.98 4.34 0.53 0.52 0.04 -1.26 -3.08 135.00 134.11 2j0q s PRO 79 Ca 0.55 1.13 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 2j0q s PRO 79 Cb -0.53 -2.50 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 2j0q s PRO 79 CO 0.63 0.14 0.56 -2.30 0.04 0.00 0.00 177.00 176.07 2j0q n PRO 80 N -0.04 0.58 -1.73 0.56 -0.02 -1.26 -4.17 135.00 128.92 2j0q n PRO 80 Ca 0.04 0.22 -0.01 0.00 -2.02 0.00 0.00 63.50 61.73 2j0q n PRO 80 Cb 0.52 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2j0q n PRO 80 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2j0q n ASP 81 N 0.63 -0.12 -0.35 2.55 5.75 -1.20 -4.93 116.55 118.88 2j0q n ASP 81 Ca 0.11 -1.16 0.06 0.00 -0.01 0.00 0.00 54.79 53.80 2j0q n ASP 81 Cb 0.46 0.22 0.23 0.00 -1.03 0.00 0.00 41.12 41.00 2j0q n ASP 81 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2j0q h ARG 82 N 0.00 0.94 0.00 0.11 2.47 -2.00 -1.83 114.38 114.07 2j0q h ARG 82 Ca -0.02 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 2j0q h ARG 82 Cb 0.10 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.21 2j0q h ARG 82 CO 0.03 0.62 -0.12 0.28 0.56 0.00 0.00 179.97 181.34 2j0q h VAL 83 N 0.97 0.61 0.00 2.04 2.07 -1.96 -3.44 116.25 116.55 2j0q h VAL 83 Ca 0.48 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2j0q h VAL 83 Cb 0.47 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2j0q h VAL 83 CO -0.26 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.06 2j0q n GLY 84 N -0.73 1.69 3.44 2.17 0.00 -0.69 -4.79 105.19 106.28 2j0q n GLY 84 Ca -0.02 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.81 2j0q n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j0q s ARG 85 N -1.32 1.57 -0.07 1.61 3.52 -0.58 -3.24 118.95 120.44 2j0q s ARG 85 Ca 0.00 -1.57 0.01 0.00 -0.13 0.00 0.00 55.73 54.05 2j0q s ARG 85 Cb 0.00 -1.84 0.02 0.00 -1.56 0.00 0.00 34.95 31.57 2j0q s ARG 85 CO 0.00 0.39 -0.08 -0.65 -0.81 0.00 0.00 175.30 174.14 2j0q s GLN 86 N -2.84 1.39 -0.12 5.12 -0.21 0.75 -2.22 119.66 121.53 2j0q s GLN 86 Ca 0.23 -0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.36 2j0q s GLN 86 Cb -0.07 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.65 2j0q s GLN 86 CO 0.11 -0.09 -0.20 -1.21 -2.12 0.00 0.00 175.29 171.77 2j0q s GLU 87 N 1.07 2.75 -0.18 2.91 2.02 -0.49 -1.40 118.70 125.37 2j0q s GLU 87 Ca -0.08 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.16 2j0q s GLU 87 Cb -0.14 -2.21 0.04 0.00 0.10 0.00 0.00 34.13 31.91 2j0q s GLU 87 CO -0.01 0.02 -0.11 -1.17 0.02 0.00 0.00 175.26 174.01 2j0q s LEU 88 N 0.75 2.06 -0.08 1.80 2.96 -0.59 -0.34 118.68 125.24 2j0q s LEU 88 Ca -0.10 -0.75 0.05 0.00 -0.22 0.00 0.00 54.13 53.11 2j0q s LEU 88 Cb -0.16 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.33 2j0q s LEU 88 CO 0.01 -0.12 -0.23 -0.70 -1.32 0.00 0.00 176.35 173.98 2j0q s GLU 89 N 1.44 2.83 -0.06 1.98 2.12 -0.30 -0.05 118.70 126.66 2j0q s GLU 89 Ca 0.01 -0.87 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 2j0q s GLU 89 Cb -0.15 -2.26 0.03 0.00 0.26 0.00 0.00 34.13 32.01 2j0q s GLU 89 CO -0.09 0.29 0.07 0.42 -0.54 0.00 0.00 175.26 175.40 2j0q s ILE 90 N 0.08 -0.11 -0.50 -3.70 1.01 0.20 -1.11 121.20 117.07 2j0q s ILE 90 Ca -0.11 0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.79 2j0q s ILE 90 Cb -0.16 -0.21 0.13 0.00 0.01 0.00 0.00 42.46 42.23 2j0q s ILE 90 CO 0.06 0.12 0.38 -0.69 0.00 0.00 0.00 174.94 174.81 2j0q s VAL 91 N 2.17 4.38 -0.87 2.92 1.01 -0.31 -0.56 120.40 129.14 2j0q s VAL 91 Ca 0.05 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.23 2j0q s VAL 91 Cb -0.13 -3.87 0.30 0.00 0.00 0.00 0.00 36.38 32.69 2j0q s VAL 91 CO -0.04 -0.80 1.25 0.00 0.00 0.00 0.00 175.10 175.51 2j0q n ILE 92 N 4.89 4.27 0.00 2.22 3.06 -1.04 -0.94 119.36 131.83 2j0q n ILE 92 Ca -0.08 -5.69 0.00 0.00 -2.50 0.00 0.00 62.75 54.49 2j0q n ILE 92 Cb 0.41 -1.89 0.00 0.00 0.54 0.00 0.00 39.64 38.69 2j0q n ILE 92 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2j0q n GLY 93 N 0.71 1.02 0.12 4.50 0.00 -0.82 -3.87 105.19 106.85 2j0q n GLY 93 Ca 0.32 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 2j0q n GLY 93 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2j0q h ASP 94 N 0.00 0.50 -3.39 1.61 2.03 -1.94 -3.47 116.42 111.77 2j0q h ASP 94 Ca 0.00 -0.94 -0.57 0.00 -0.73 0.00 0.00 57.03 54.79 2j0q h ASP 94 Cb 0.00 -0.16 0.13 0.00 -0.83 0.00 0.00 39.33 38.46 2j0q h ASP 94 CO 0.00 1.46 0.37 -0.62 -1.03 0.00 0.00 179.24 179.42 2j0q n GLU 95 N -4.05 1.68 -3.42 4.15 1.02 -1.25 -5.00 120.64 113.77 2j0q n GLU 95 Ca -0.16 0.60 -0.27 0.00 -0.02 0.00 0.00 57.16 57.31 2j0q n GLU 95 Cb 0.87 -2.26 -0.11 0.00 -0.02 0.00 0.00 31.44 29.91 2j0q n GLU 95 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2j0q s HIS 96 N -1.23 0.75 0.24 -0.32 2.46 -1.26 -2.48 115.29 113.45 2j0q s HIS 96 Ca 0.63 -1.80 0.02 0.00 0.47 0.00 0.00 55.06 54.38 2j0q s HIS 96 Cb -0.52 -0.86 -0.03 0.00 -0.13 0.00 0.00 32.58 31.03 2j0q s HIS 96 CO 0.57 -0.84 0.40 0.96 -2.47 0.00 0.00 174.74 173.36 2j0q s ILE 97 N 0.75 5.22 -0.18 0.89 -5.25 0.28 -4.95 121.20 117.95 2j0q s ILE 97 Ca 0.23 -0.67 -0.23 0.00 -0.99 0.00 0.00 60.65 58.99 2j0q s ILE 97 Cb -0.13 -3.81 0.06 0.00 2.95 0.00 0.00 42.46 41.52 2j0q s ILE 97 CO -0.06 -0.32 0.62 -0.55 -1.79 0.00 0.00 174.94 172.84 2j0q s SER 98 N -3.70 -0.62 -0.01 4.36 0.15 -1.26 -0.63 113.70 111.99 2j0q s SER 98 Ca 0.37 1.07 0.04 0.00 0.70 0.00 0.00 55.95 58.13 2j0q s SER 98 Cb -0.10 1.06 -0.01 0.00 -1.71 0.00 0.00 66.02 65.27 2j0q s SER 98 CO 0.31 -0.31 -0.13 -0.36 1.20 0.00 0.00 173.24 173.94 2j0q s PHE 99 N -0.09 1.17 -0.05 3.44 0.08 0.92 -4.78 117.98 118.67 2j0q s PHE 99 Ca -0.03 -0.22 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 2j0q s PHE 99 Cb -0.04 -0.75 0.03 0.00 -0.57 0.00 0.00 43.02 41.69 2j0q s PHE 99 CO 0.03 -0.02 0.00 0.99 -0.10 0.00 0.00 175.22 176.12 2j0q s THR 100 N -0.30 0.28 0.22 0.64 2.01 -1.26 -1.55 115.64 115.68 2j0q s THR 100 Ca 0.05 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.04 2j0q s THR 100 Cb -0.05 -0.40 -0.00 0.00 0.01 0.00 0.00 72.50 72.05 2j0q s THR 100 CO -0.00 0.20 0.42 0.28 -0.69 0.00 0.00 174.62 174.83 2j0q s THR 101 N 1.48 0.02 0.95 -0.82 -1.32 -0.49 -4.84 115.64 110.61 2j0q s THR 101 Ca -0.03 -1.37 -0.16 0.00 -1.21 0.00 0.00 61.69 58.92 2j0q s THR 101 Cb -0.13 -2.07 0.24 0.00 -1.51 0.00 0.00 72.50 69.03 2j0q s THR 101 CO -0.03 -0.08 0.74 -1.54 -2.21 0.00 0.00 174.62 171.51 2j0q n SER 102 N -0.33 -2.35 -4.62 8.08 3.41 -1.18 0.27 113.62 116.89 2j0q n SER 102 Ca -0.04 -0.88 -0.28 0.00 -0.26 0.00 0.00 58.87 57.41 2j0q n SER 102 Cb 0.62 -0.73 0.20 0.00 -0.26 0.00 0.00 64.21 64.05 2j0q n SER 102 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2j0q s LYS 103 N -4.71 0.02 -0.11 4.33 1.02 -1.21 -4.15 119.74 114.92 2j0q s LYS 103 Ca 0.51 0.59 -0.01 0.00 0.02 0.00 0.00 55.97 57.07 2j0q s LYS 103 Cb -0.06 -1.68 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 2j0q s LYS 103 CO 0.40 -3.03 -0.05 0.42 -0.92 0.00 0.00 175.35 172.17 2j0q s ILE 104 N -2.83 0.88 -0.01 2.17 1.01 -1.26 -5.03 121.20 116.12 2j0q s ILE 104 Ca 0.66 -0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.81 2j0q s ILE 104 Cb -0.20 -0.97 -0.19 0.00 0.01 0.00 0.00 42.46 41.11 2j0q s ILE 104 CO 0.59 0.30 1.28 1.23 0.00 0.00 0.00 174.94 178.34 2j0q h GLY 105 N 8.20 0.09 -2.62 6.18 0.00 -1.98 -3.49 103.07 109.45 2j0q h GLY 105 Ca -0.26 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.07 2j0q h GLY 105 CO 0.37 0.08 0.36 -1.35 0.00 0.00 0.00 176.54 176.00 2j0q s SER 106 N -5.80 -0.33 0.05 0.19 1.04 -1.26 -4.99 113.70 102.60 2j0q s SER 106 Ca -0.16 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.02 2j0q s SER 106 Cb 0.02 0.55 0.12 0.00 0.10 0.00 0.00 66.02 66.82 2j0q s SER 106 CO 0.69 -0.97 0.91 0.18 0.98 0.00 0.00 173.24 175.03 2j0q n LEU 107 N -0.40 0.06 -0.03 2.42 4.77 -1.26 -0.80 117.00 121.75 2j0q n LEU 107 Ca -0.09 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2j0q n LEU 107 Cb 0.61 -0.37 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2j0q n LEU 107 CO 0.13 -0.39 0.51 0.40 -1.33 0.00 0.00 177.39 176.71 2j0q h ILE 108 N 0.00 1.53 -0.90 -0.08 2.04 -1.99 -2.71 117.51 115.40 2j0q h ILE 108 Ca 0.00 -1.67 0.05 0.00 1.00 0.00 0.00 64.86 64.24 2j0q h ILE 108 Cb 0.36 2.62 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 2j0q h ILE 108 CO 0.00 0.44 0.59 0.44 0.00 0.00 0.00 178.15 179.63 2j0q h ASP 109 N -0.60 0.94 -0.78 1.72 3.32 -1.37 -0.03 116.42 119.63 2j0q h ASP 109 Ca -0.01 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2j0q h ASP 109 Cb 0.76 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2j0q h ASP 109 CO 0.01 0.62 0.51 0.58 -1.72 0.00 0.00 179.24 179.25 2j0q h VAL 110 N 1.08 1.18 0.00 -1.35 2.07 -1.56 -2.25 116.25 115.42 2j0q h VAL 110 Ca 0.37 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2j0q h VAL 110 Cb 0.11 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 2j0q h VAL 110 CO -0.13 0.19 -0.09 0.78 0.02 0.00 0.00 177.57 178.34 2j0q h ASN 111 N 1.03 0.00 1.06 0.57 4.21 -0.86 -2.52 115.58 119.07 2j0q h ASN 111 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 2j0q h ASN 111 Cb -0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 2j0q h ASN 111 CO -0.08 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 176.15 2j0q n GLN 112 N -3.13 0.07 -1.84 0.81 1.13 -0.16 -4.91 117.38 109.36 2j0q n GLN 112 Ca 0.03 0.09 -0.31 0.00 -1.94 0.00 0.00 57.00 54.87 2j0q n GLN 112 Cb 0.55 -1.59 0.02 0.00 0.11 0.00 0.00 30.24 29.33 2j0q n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2j0q s SER 113 N -3.43 5.87 0.22 1.08 1.04 -0.86 -4.96 113.70 112.66 2j0q s SER 113 Ca 0.12 1.58 0.25 0.00 0.48 0.00 0.00 55.95 58.38 2j0q s SER 113 Cb 0.16 -2.50 0.90 0.00 0.10 0.00 0.00 66.02 64.69 2j0q s SER 113 CO 0.52 -1.11 1.74 0.29 0.98 0.00 0.00 173.24 175.66 2j0q n LYS 114 N -2.64 0.21 -3.52 4.02 4.76 -1.26 -3.86 118.16 115.88 2j0q n LYS 114 Ca 0.07 0.31 -0.28 0.00 -2.87 0.00 0.00 58.31 55.54 2j0q n LYS 114 Cb 0.54 -1.82 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 2j0q n LYS 114 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2j0q s ASP 115 N -4.30 2.36 0.01 4.39 3.68 -1.26 -5.01 116.67 116.54 2j0q s ASP 115 Ca 0.08 -3.11 -0.25 0.00 2.13 0.00 0.00 52.55 51.40 2j0q s ASP 115 Cb 0.11 -0.70 -0.19 0.00 -1.45 0.00 0.00 42.92 40.69 2j0q s ASP 115 CO 0.49 -0.17 1.37 1.55 0.13 0.00 0.00 175.17 178.53 2j0q h PRO 116 N 5.79 -0.05 -0.97 4.34 0.13 -1.70 -1.93 132.00 137.62 2j0q h PRO 116 Ca 0.21 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.60 2j0q h PRO 116 Cb 0.89 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.89 2j0q h PRO 116 CO 0.43 0.30 0.50 0.93 -0.23 0.00 0.00 178.00 179.94 2j0q h GLU 117 N -0.41 0.40 0.15 0.86 3.07 -1.95 -0.65 114.58 116.06 2j0q h GLU 117 Ca -0.01 -0.02 -0.31 0.00 -0.50 0.00 0.00 59.36 58.52 2j0q h GLU 117 Cb 0.38 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2j0q h GLU 117 CO 0.01 0.27 -1.52 0.78 -1.40 0.00 0.00 179.01 177.15 2j0q h GLY 118 N 0.42 0.37 2.00 -3.84 0.00 -1.97 -3.25 103.07 96.79 2j0q h GLY 118 Ca 0.65 -0.93 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2j0q h GLY 118 CO -0.55 0.82 -0.35 1.41 0.00 0.00 0.00 176.54 177.87 2j0q h LEU 119 N 0.09 0.00 -0.22 3.11 3.38 -0.73 -2.79 115.31 118.14 2j0q h LEU 119 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2j0q h LEU 119 Cb 2.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 2j0q h LEU 119 CO 0.19 0.35 0.14 -0.09 0.09 0.00 0.00 178.44 179.12 2j0q h ARG 120 N 0.00 0.30 -0.86 1.13 2.43 -1.23 0.37 114.38 116.50 2j0q h ARG 120 Ca -0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2j0q h ARG 120 Cb 0.65 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 2j0q h ARG 120 CO 0.05 0.23 0.57 0.28 -1.51 0.00 0.00 179.97 179.58 2j0q h VAL 121 N 0.28 1.15 0.57 0.20 2.07 -1.53 -1.05 116.25 117.93 2j0q h VAL 121 Ca 0.08 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2j0q h VAL 121 Cb 0.01 -0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.76 2j0q h VAL 121 CO -0.02 0.20 -0.28 0.15 0.02 0.00 0.00 177.57 177.65 2j0q h PHE 122 N 1.09 -0.71 -0.84 1.57 3.57 -1.31 -2.51 116.94 117.79 2j0q h PHE 122 Ca 0.34 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 62.03 2j0q h PHE 122 Cb 0.01 0.24 -0.15 0.00 2.79 0.00 0.00 35.95 38.83 2j0q h PHE 122 CO -0.00 -0.40 0.03 -0.92 -2.23 0.00 0.00 178.31 174.79 2j0q h TYR 123 N -1.12 -0.02 0.00 0.41 3.20 -0.58 0.14 116.97 118.99 2j0q h TYR 123 Ca -0.08 0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.72 2j0q h TYR 123 Cb 0.64 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 2j0q h TYR 123 CO 0.01 -0.29 -0.69 1.88 -1.64 0.00 0.00 178.16 177.43 2j0q h TYR 124 N 0.09 0.00 -0.09 -3.82 0.05 -1.29 -3.03 116.97 108.89 2j0q h TYR 124 Ca 0.48 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.18 2j0q h TYR 124 Cb 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 2j0q h TYR 124 CO -0.44 0.63 -0.25 1.25 -1.05 0.00 0.00 178.16 178.30 2j0q h LEU 125 N 0.00 0.38 -0.70 3.88 5.85 -0.78 -2.98 115.31 120.95 2j0q h LEU 125 Ca -0.02 -0.60 0.05 0.00 0.84 0.00 0.00 57.88 58.15 2j0q h LEU 125 Cb 1.50 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 2j0q h LEU 125 CO 0.08 0.91 0.42 0.58 -0.34 0.00 0.00 178.44 180.09 2j0q h VAL 126 N -0.13 1.03 -0.24 1.05 2.07 -0.84 -0.27 116.25 118.93 2j0q h VAL 126 Ca -0.01 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2j0q h VAL 126 Cb 0.87 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2j0q h VAL 126 CO 0.05 0.14 -0.03 1.56 0.02 0.00 0.00 177.57 179.31 2j0q h GLN 127 N 0.79 0.03 -0.31 1.57 4.20 -1.61 -2.39 115.11 117.39 2j0q h GLN 127 Ca 0.30 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2j0q h GLN 127 Cb 0.12 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2j0q h GLN 127 CO -0.15 0.02 0.14 -0.44 -0.67 0.00 0.00 178.83 177.73 2j0q h ASP 128 N 0.03 0.39 0.18 1.46 3.32 -0.95 -1.29 116.42 119.56 2j0q h ASP 128 Ca 0.11 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2j0q h ASP 128 Cb 0.16 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2j0q h ASP 128 CO -0.22 0.35 -0.08 -0.07 -1.72 0.00 0.00 179.24 177.49 2j0q h LEU 129 N 0.44 -0.20 -0.79 1.55 3.38 -0.90 -2.65 115.31 116.14 2j0q h LEU 129 Ca 0.11 -0.33 0.16 0.00 0.09 0.00 0.00 57.88 57.91 2j0q h LEU 129 Cb 0.07 0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2j0q h LEU 129 CO -0.01 0.31 -0.15 0.11 0.09 0.00 0.00 178.44 178.79 2j0q h LYS 130 N -0.80 0.02 -0.85 1.13 1.57 -1.21 0.39 116.57 116.82 2j0q h LYS 130 Ca -0.02 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2j0q h LYS 130 Cb 0.52 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 2j0q h LYS 130 CO 0.04 0.01 0.48 0.00 -0.57 0.00 0.00 179.45 179.42 2j0q h LEU 132 N 0.78 -0.18 -0.51 0.00 5.85 -0.80 -2.59 115.31 117.86 2j0q h LEU 132 Ca 0.43 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2j0q h LEU 132 Cb 0.45 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2j0q h LEU 132 CO -0.28 0.28 0.25 0.58 -0.34 0.00 0.00 178.44 178.93 2j0q h VAL 133 N -0.69 0.94 -0.72 1.05 2.07 -0.58 0.15 116.25 118.47 2j0q h VAL 133 Ca -0.02 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2j0q h VAL 133 Cb 0.50 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2j0q h VAL 133 CO 0.04 0.09 0.30 -0.26 0.02 0.00 0.00 177.57 177.75 2j0q h PHE 134 N 0.48 1.08 -0.98 1.57 0.04 0.08 0.11 116.94 119.32 2j0q h PHE 134 Ca 0.23 -0.08 0.03 0.00 2.80 0.00 0.00 57.97 60.95 2j0q h PHE 134 Cb 0.15 -0.33 -0.06 0.00 2.20 0.00 0.00 35.95 37.92 2j0q h PHE 134 CO -0.11 0.83 0.64 0.77 -0.60 0.00 0.00 178.31 179.84 2j0q h SER 135 N 1.03 1.09 0.46 2.17 0.02 -0.97 0.25 113.55 117.59 2j0q h SER 135 Ca 0.24 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2j0q h SER 135 Cb 0.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2j0q h SER 135 CO -0.02 0.75 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.13 2j0q h LEU 136 N 1.27 -0.53 -2.42 5.07 3.38 -0.27 -2.86 115.31 118.95 2j0q h LEU 136 Ca 0.38 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2j0q h LEU 136 Cb -0.04 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2j0q h LEU 136 CO -0.11 -0.19 0.00 0.16 0.09 0.00 0.00 178.44 178.38 2j0q h ILE 137 N -0.99 0.00 -0.23 1.22 3.07 -1.03 -2.34 117.51 117.21 2j0q h ILE 137 Ca -0.06 -0.18 -0.12 0.00 1.55 0.00 0.00 64.86 66.04 2j0q h ILE 137 Cb 0.48 1.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.19 2j0q h ILE 137 CO 0.10 0.00 -0.38 1.23 -1.05 0.00 0.00 178.15 178.06 2j0q h GLY 138 N 0.73 0.56 0.84 0.16 0.00 -0.51 -2.80 103.07 102.06 2j0q h GLY 138 Ca 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.66 2j0q h GLY 138 CO 0.00 0.49 -1.45 1.04 0.00 0.00 0.00 176.54 176.61 2j0q n LEU 139 N -4.04 0.73 -0.04 3.11 4.77 -0.93 -2.93 117.00 117.67 2j0q n LEU 139 Ca -0.01 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 2j0q n LEU 139 Cb 0.49 0.07 0.35 0.00 -2.33 0.00 0.00 43.42 42.01 2j0q n LEU 139 CO 0.44 0.10 0.60 1.57 -1.33 0.00 0.00 177.39 178.76 2j0q n HIS 140 N -2.79 0.00 0.00 -1.77 -0.00 -0.94 -4.61 115.22 105.11 2j0q n HIS 140 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 2j0q n HIS 140 Cb 0.79 -0.27 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2j0q n HIS 140 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2j0q n PHE 141 N -1.35 0.00 -2.24 1.57 3.72 -1.06 -5.07 117.46 113.03 2j0q n PHE 141 Ca 0.07 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 2j0q n PHE 141 Cb 0.33 0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 2j0q n PHE 141 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2j0q s LYS 142 N -1.22 4.27 0.03 -1.08 2.20 -1.15 -4.99 119.74 117.80 2j0q s LYS 142 Ca 0.00 1.93 -0.30 0.00 -0.36 0.00 0.00 55.97 57.24 2j0q s LYS 142 Cb 0.00 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 2j0q s LYS 142 CO 0.00 -0.60 1.23 0.42 -0.36 0.00 0.00 175.35 176.04 2j0q s ILE 143 N 2.64 4.02 0.08 5.43 1.09 -1.26 -4.79 121.20 128.41 2j0q s ILE 143 Ca 0.63 1.42 -0.31 0.00 -1.10 0.00 0.00 60.65 61.30 2j0q s ILE 143 Cb -0.30 -3.91 -0.10 0.00 -1.06 0.00 0.00 42.46 37.09 2j0q s ILE 143 CO 0.25 0.07 1.88 -0.75 -0.10 0.00 0.00 174.94 176.29 2j0q s LYS 144 N 1.51 4.14 0.40 2.79 2.20 -1.26 -4.86 119.74 124.67 2j0q s LYS 144 Ca 0.59 2.59 0.14 0.00 -0.36 0.00 0.00 55.97 58.93 2j0q s LYS 144 Cb -0.29 -3.83 0.83 0.00 -1.51 0.00 0.00 37.83 33.03 2j0q s LYS 144 CO 0.27 -0.89 1.89 -1.35 -0.36 0.00 0.00 175.35 174.91 2j0q h PRO 145 N 9.43 0.00 0.00 4.03 0.11 -2.03 -3.57 132.00 139.98 2j0q h PRO 145 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2j0q h PRO 145 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2j0q h PRO 145 CO 0.94 0.30 0.00 -0.89 -0.21 0.00 0.00 178.00 178.15