#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j0s s PHE 5 N 0.00 0.74 0.01 1.24 5.36 -1.26 -2.22 117.98 121.84 2j0s s PHE 5 Ca 0.00 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 2j0s s PHE 5 Cb 0.00 -0.58 -0.01 0.00 -0.34 0.00 0.00 43.02 42.10 2j0s s PHE 5 CO 0.00 -0.12 -0.01 -0.47 -1.46 0.00 0.00 175.22 173.16 2j0s s TYR 6 N 0.45 0.07 -0.08 10.12 5.04 0.12 -2.33 117.35 130.75 2j0s s TYR 6 Ca -0.06 -0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.38 2j0s s TYR 6 Cb -0.10 -0.05 0.03 0.00 0.35 0.00 0.00 41.96 42.19 2j0s s TYR 6 CO 0.00 -0.05 0.19 -1.17 -1.34 0.00 0.00 175.55 173.18 2j0s s LEU 7 N -0.38 0.99 -0.02 6.97 2.96 -0.71 -1.16 118.68 127.34 2j0s s LEU 7 Ca -0.04 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.27 2j0s s LEU 7 Cb -0.03 0.59 0.00 0.00 0.50 0.00 0.00 46.19 47.25 2j0s s LEU 7 CO -0.00 -0.10 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.25 2j0s s ARG 8 N 0.57 0.73 -0.02 1.98 3.52 -0.34 -0.46 118.95 124.93 2j0s s ARG 8 Ca -0.04 -0.24 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 2j0s s ARG 8 Cb -0.05 -0.71 -0.01 0.00 -1.56 0.00 0.00 34.95 32.62 2j0s s ARG 8 CO -0.03 0.10 -0.20 -0.47 -0.81 0.00 0.00 175.30 173.88 2j0s s TYR 9 N 0.15 1.87 -0.01 5.12 5.04 -0.43 -1.20 117.35 127.89 2j0s s TYR 9 Ca -0.02 -0.39 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 2j0s s TYR 9 Cb -0.07 -1.21 -0.01 0.00 0.35 0.00 0.00 41.96 41.02 2j0s s TYR 9 CO 0.00 -0.06 -0.11 -0.47 -1.34 0.00 0.00 175.55 173.57 2j0s s TYR 10 N -0.39 1.03 0.01 4.97 5.04 -0.37 -1.22 117.35 126.42 2j0s s TYR 10 Ca 0.06 -0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 54.47 2j0s s TYR 10 Cb -0.09 -0.68 -0.01 0.00 0.35 0.00 0.00 41.96 41.54 2j0s s TYR 10 CO -0.00 -0.03 -0.00 0.54 -1.34 0.00 0.00 175.55 174.71 2j0s s VAL 11 N -0.19 0.05 0.00 3.14 0.11 -0.11 -1.11 120.40 122.29 2j0s s VAL 11 Ca 0.03 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2j0s s VAL 11 Cb -0.05 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.66 2j0s s VAL 11 CO -0.00 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.16 2j0s n GLY 12 N 2.42 -0.93 3.51 6.54 0.00 -0.80 -0.55 105.19 115.38 2j0s n GLY 12 Ca -0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 2j0s n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2j0s s HIS 13 N -2.00 0.32 -0.20 1.61 -3.43 -0.58 -1.53 115.29 109.49 2j0s s HIS 13 Ca 0.00 -0.68 0.01 0.00 -0.80 0.00 0.00 55.06 53.59 2j0s s HIS 13 Cb 0.00 0.14 0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2j0s s HIS 13 CO 0.00 -0.91 -0.12 0.15 -2.00 0.00 0.00 174.74 171.86 2j0s s LYS 14 N -3.99 2.15 0.00 -0.38 1.02 -1.26 -1.35 119.74 115.93 2j0s s LYS 14 Ca 0.20 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.34 2j0s s LYS 14 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2j0s s LYS 14 CO 0.05 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 2j0s n GLY 15 N 4.67 4.92 0.18 -3.33 0.00 -0.74 -4.98 105.19 105.91 2j0s n GLY 15 Ca -0.15 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 44.88 2j0s n GLY 15 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2j0s h LYS 16 N 0.00 0.00 -0.63 1.61 2.10 -2.03 0.16 116.57 117.78 2j0s h LYS 16 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2j0s h LYS 16 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 2j0s h LYS 16 CO 0.00 0.00 0.05 1.19 -2.00 0.00 0.00 179.45 178.69 2j0s n PHE 17 N -2.50 2.09 -3.92 0.07 3.72 -1.26 -5.01 117.46 110.65 2j0s n PHE 17 Ca 0.01 -0.79 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 2j0s n PHE 17 Cb 0.22 -0.53 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2j0s n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2j0s n GLY 18 N 0.47 -0.90 3.45 1.37 0.00 0.04 -2.65 105.19 106.98 2j0s n GLY 18 Ca 0.29 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 2j0s n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2j0s s HIS 19 N 0.00 2.88 -0.30 1.61 5.65 -1.26 -1.79 115.29 122.08 2j0s s HIS 19 Ca 0.00 -0.96 -0.18 0.00 0.25 0.00 0.00 55.06 54.17 2j0s s HIS 19 Cb 0.00 -4.30 -0.02 0.00 -1.18 0.00 0.00 32.58 27.09 2j0s s HIS 19 CO 0.00 -1.58 0.50 -1.21 -0.65 0.00 0.00 174.74 171.80 2j0s s GLU 20 N 3.43 3.89 0.09 2.88 2.02 -0.46 -4.42 118.70 126.14 2j0s s GLU 20 Ca 0.27 0.10 -0.08 0.00 0.02 0.00 0.00 54.97 55.29 2j0s s GLU 20 Cb -0.11 -3.72 -0.01 0.00 0.10 0.00 0.00 34.13 30.40 2j0s s GLU 20 CO 0.00 -0.46 0.18 -0.59 0.02 0.00 0.00 175.26 174.41 2j0s s PHE 21 N 2.33 0.22 -0.07 1.61 -0.12 -0.55 -1.53 117.98 119.87 2j0s s PHE 21 Ca 0.20 -0.65 0.03 0.00 -0.05 0.00 0.00 56.93 56.46 2j0s s PHE 21 Cb -0.16 -0.09 0.01 0.00 -0.63 0.00 0.00 43.02 42.15 2j0s s PHE 21 CO 0.11 -0.55 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.39 2j0s s LEU 22 N -2.88 1.85 -0.01 -1.99 1.98 0.28 -0.10 118.68 117.81 2j0s s LEU 22 Ca 0.07 -0.40 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 2j0s s LEU 22 Cb 0.05 -1.05 0.01 0.00 0.66 0.00 0.00 46.19 45.86 2j0s s LEU 22 CO -0.10 0.10 -0.01 -0.70 -1.89 0.00 0.00 176.35 173.76 2j0s s GLU 23 N 0.42 0.12 0.07 1.98 2.12 -0.01 -0.93 118.70 122.46 2j0s s GLU 23 Ca -0.14 -0.00 0.00 0.00 0.36 0.00 0.00 54.97 55.19 2j0s s GLU 23 Cb -0.16 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 2j0s s GLU 23 CO 0.05 -0.02 -0.05 -0.59 -0.54 0.00 0.00 175.26 174.12 2j0s s PHE 24 N 0.24 0.66 -0.11 5.30 -0.12 -0.36 -0.93 117.98 122.67 2j0s s PHE 24 Ca -0.02 -0.91 -0.05 0.00 -0.05 0.00 0.00 56.93 55.89 2j0s s PHE 24 Cb -0.04 -0.43 0.05 0.00 -0.63 0.00 0.00 43.02 41.98 2j0s s PHE 24 CO -0.01 -0.24 0.25 -2.00 -0.05 0.00 0.00 175.22 173.17 2j0s s GLU 25 N -3.48 0.20 -0.27 1.99 2.12 -0.41 -1.32 118.70 117.54 2j0s s GLU 25 Ca 0.06 0.57 -0.09 0.00 0.36 0.00 0.00 54.97 55.87 2j0s s GLU 25 Cb 0.04 -0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 2j0s s GLU 25 CO -0.06 -0.18 0.12 -0.06 -0.54 0.00 0.00 175.26 174.54 2j0s s PHE 26 N 1.45 3.14 0.36 5.30 0.08 0.40 -1.06 117.98 127.64 2j0s s PHE 26 Ca -0.08 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 2j0s s PHE 26 Cb -0.11 -2.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2j0s s PHE 26 CO -0.09 -0.33 0.63 1.03 -0.10 0.00 0.00 175.22 176.36 2j0s s ARG 27 N 1.65 3.57 0.61 0.44 0.52 -0.26 -1.74 118.95 123.75 2j0s s ARG 27 Ca 0.06 -0.02 0.31 0.00 -0.52 0.00 0.00 55.73 55.56 2j0s s ARG 27 Cb -0.16 -2.56 1.72 0.00 0.52 0.00 0.00 34.95 34.47 2j0s s ARG 27 CO 0.06 0.07 2.09 -1.00 0.02 0.00 0.00 175.30 176.54 2j0s h PRO 28 N 0.98 0.00 0.00 3.54 0.13 -1.80 -0.35 132.00 134.50 2j0s h PRO 28 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2j0s h PRO 28 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2j0s h PRO 28 CO 0.63 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 2j0s n ASP 29 N -3.60 0.00 0.00 1.44 5.75 -1.26 -4.88 116.55 114.01 2j0s n ASP 29 Ca 0.01 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 2j0s n ASP 29 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2j0s n ASP 29 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j0s n GLY 30 N 0.94 0.62 3.68 6.12 0.00 -0.14 -4.89 105.19 111.52 2j0s n GLY 30 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2j0s n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2j0s s LYS 31 N -0.76 4.28 -0.25 1.61 2.20 -1.25 -0.60 119.74 124.97 2j0s s LYS 31 Ca 0.00 1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 57.36 2j0s s LYS 31 Cb 0.00 -3.63 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 2j0s s LYS 31 CO 0.00 -0.59 0.24 -1.17 -0.36 0.00 0.00 175.35 173.47 2j0s s LEU 32 N 2.66 4.09 -0.06 5.43 0.20 0.18 -1.10 118.68 130.08 2j0s s LEU 32 Ca 0.61 0.18 0.04 0.00 0.69 0.00 0.00 54.13 55.65 2j0s s LEU 32 Cb -0.28 -2.22 -0.02 0.00 -0.43 0.00 0.00 46.19 43.23 2j0s s LEU 32 CO 0.24 -0.02 -0.19 -0.60 -0.29 0.00 0.00 176.35 175.49 2j0s s ARG 33 N 1.41 2.64 0.02 1.98 3.52 -0.23 -1.20 118.95 127.09 2j0s s ARG 33 Ca 0.10 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 2j0s s ARG 33 Cb -0.15 -2.32 -0.01 0.00 -1.56 0.00 0.00 34.95 30.91 2j0s s ARG 33 CO 0.07 0.46 -0.09 -0.47 -0.81 0.00 0.00 175.30 174.46 2j0s s TYR 34 N -0.33 0.82 -0.07 5.12 5.04 0.73 -1.28 117.35 127.37 2j0s s TYR 34 Ca 0.02 -0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.34 2j0s s TYR 34 Cb -0.13 -0.51 0.03 0.00 0.35 0.00 0.00 41.96 41.71 2j0s s TYR 34 CO 0.02 -0.01 0.16 0.00 -1.34 0.00 0.00 175.55 174.38 2j0s s ALA 35 N -0.62 -0.35 -0.19 3.97 0.00 -0.10 -0.87 121.76 123.60 2j0s s ALA 35 Ca -0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2j0s s ALA 35 Cb -0.06 -0.40 0.04 0.00 0.00 0.00 0.00 23.12 22.70 2j0s s ALA 35 CO 0.00 -0.13 -0.08 1.21 0.00 0.00 0.00 175.76 176.76 2j0s s ASN 36 N 0.77 3.26 -0.05 0.00 3.84 0.22 -0.83 114.94 122.14 2j0s s ASN 36 Ca -0.06 -0.84 0.01 0.00 0.21 0.00 0.00 52.86 52.18 2j0s s ASN 36 Cb -0.07 -1.13 -0.03 0.00 -0.55 0.00 0.00 41.25 39.47 2j0s s ASN 36 CO -0.04 -0.16 -0.05 0.21 -2.79 0.00 0.00 177.10 174.27 2j0s s ASN 37 N 1.47 4.81 -0.28 -4.21 2.47 0.86 -0.63 114.94 119.43 2j0s s ASN 37 Ca -0.01 -0.01 -0.20 0.00 0.42 0.00 0.00 52.86 53.06 2j0s s ASN 37 Cb -0.16 -1.23 0.09 0.00 -1.45 0.00 0.00 41.25 38.51 2j0s s ASN 37 CO -0.08 0.34 0.79 -0.55 -3.72 0.00 0.00 177.10 173.88 2j0s s SER 38 N -1.03 -0.75 -0.34 -4.21 0.15 -1.26 -1.48 113.70 104.79 2j0s s SER 38 Ca 0.14 1.30 0.09 0.00 0.70 0.00 0.00 55.95 58.18 2j0s s SER 38 Cb -0.11 1.32 0.68 0.00 -1.71 0.00 0.00 66.02 66.20 2j0s s SER 38 CO 0.04 -0.21 1.76 0.59 1.20 0.00 0.00 173.24 176.62 2j0s n ASN 39 N 3.46 4.22 -4.68 5.45 3.02 -1.08 -2.86 115.26 122.79 2j0s n ASN 39 Ca -0.17 -3.37 -0.42 0.00 -0.03 0.00 0.00 54.58 50.59 2j0s n ASN 39 Cb 0.57 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 2j0s n ASN 39 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2j0s s TYR 40 N -3.09 1.75 -1.58 3.10 5.04 -1.26 -1.35 117.35 119.96 2j0s s TYR 40 Ca 0.53 -0.22 -0.15 0.00 -2.44 0.00 0.00 57.07 54.79 2j0s s TYR 40 Cb 0.44 -4.21 0.11 0.00 0.35 0.00 0.00 41.96 38.64 2j0s s TYR 40 CO 0.11 -5.19 0.90 1.63 -1.34 0.00 0.00 175.55 171.66 2j0s n LYS 41 N 6.53 -4.68 -2.49 4.97 5.02 -1.26 -1.32 118.16 124.93 2j0s n LYS 41 Ca 0.19 0.52 -0.18 0.00 -2.02 0.00 0.00 58.31 56.81 2j0s n LYS 41 Cb 0.39 -5.33 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 2j0s n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2j0s n ASN 42 N -2.79 -5.32 -4.19 4.39 3.02 -0.46 -5.03 115.26 104.89 2j0s n ASN 42 Ca 0.03 -0.07 -0.29 0.00 -0.03 0.00 0.00 54.58 54.22 2j0s n ASN 42 Cb 0.52 -4.33 0.22 0.00 -0.61 0.00 0.00 39.78 35.58 2j0s n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2j0s s ASP 43 N -2.33 1.41 0.25 6.41 -1.08 -0.44 -4.95 116.67 115.96 2j0s s ASP 43 Ca 0.07 0.92 0.11 0.00 -0.52 0.00 0.00 52.55 53.13 2j0s s ASP 43 Cb -0.03 -1.38 -0.05 0.00 -1.46 0.00 0.00 42.92 40.00 2j0s s ASP 43 CO 0.08 -3.85 -0.20 0.68 0.52 0.00 0.00 175.17 172.40 2j0s s VAL 44 N -2.90 2.32 0.20 1.11 -7.23 -1.13 -4.01 120.40 108.76 2j0s s VAL 44 Ca 0.68 -2.30 -0.32 0.00 -1.81 0.00 0.00 61.98 58.23 2j0s s VAL 44 Cb -0.15 -2.21 -0.13 0.00 0.56 0.00 0.00 36.38 34.45 2j0s s VAL 44 CO 0.57 -0.38 1.58 0.80 -0.31 0.00 0.00 175.10 177.36 2j0s n MET 45 N -0.41 2.33 -4.21 4.82 0.00 -1.26 -4.24 117.12 114.15 2j0s n MET 45 Ca -0.07 0.84 -0.34 0.00 -0.00 0.00 0.00 57.70 58.13 2j0s n MET 45 Cb 0.59 -2.60 -0.14 0.00 0.00 0.00 0.00 33.22 31.07 2j0s n MET 45 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2j0s s ILE 46 N 0.65 3.47 -0.04 1.12 1.01 0.19 -5.01 121.20 122.60 2j0s s ILE 46 Ca 0.74 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.97 2j0s s ILE 46 Cb -0.61 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.30 2j0s s ILE 46 CO 0.40 0.46 -0.22 -0.13 0.00 0.00 0.00 174.94 175.45 2j0s s ARG 47 N 0.96 2.06 -0.01 2.79 0.52 -1.26 -0.61 118.95 123.40 2j0s s ARG 47 Ca -0.00 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 2j0s s ARG 47 Cb -0.15 -1.85 0.00 0.00 0.52 0.00 0.00 34.95 33.47 2j0s s ARG 47 CO 0.01 0.40 0.04 0.15 0.02 0.00 0.00 175.30 175.91 2j0s s LYS 48 N -0.29 0.06 0.03 3.54 1.02 -0.05 -5.00 119.74 119.05 2j0s s LYS 48 Ca 0.02 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.04 2j0s s LYS 48 Cb -0.11 0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 2j0s s LYS 48 CO 0.01 -0.01 -0.04 -1.21 -0.92 0.00 0.00 175.35 173.18 2j0s s GLU 49 N -0.06 0.37 0.07 1.68 2.02 -1.26 -0.20 118.70 121.32 2j0s s GLU 49 Ca -0.01 -0.62 -0.26 0.00 0.02 0.00 0.00 54.97 54.10 2j0s s GLU 49 Cb -0.01 -0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.28 2j0s s GLU 49 CO 0.00 -0.01 0.78 0.00 0.02 0.00 0.00 175.26 176.05 2j0s s ALA 50 N -1.34 -1.72 -0.18 5.21 0.00 -0.34 -5.02 121.76 118.37 2j0s s ALA 50 Ca -0.13 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.56 2j0s s ALA 50 Cb -0.09 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.63 2j0s s ALA 50 CO -0.01 -0.74 -0.08 0.71 0.00 0.00 0.00 175.76 175.64 2j0s s TYR 51 N -3.38 2.91 0.08 0.00 2.02 -1.26 0.50 117.35 118.21 2j0s s TYR 51 Ca 0.04 -0.81 -0.07 0.00 -0.37 0.00 0.00 57.07 55.86 2j0s s TYR 51 Cb -0.01 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2j0s s TYR 51 CO -0.10 -0.40 0.35 0.14 -1.57 0.00 0.00 175.55 173.97 2j0s s VAL 52 N 0.99 5.19 0.77 0.71 -7.23 0.23 -4.96 120.40 116.10 2j0s s VAL 52 Ca -0.01 0.20 -0.15 0.00 -1.81 0.00 0.00 61.98 60.21 2j0s s VAL 52 Cb -0.15 -3.61 0.04 0.00 0.56 0.00 0.00 36.38 33.22 2j0s s VAL 52 CO -0.00 0.22 1.01 1.57 -0.31 0.00 0.00 175.10 177.59 2j0s n HIS 53 N 0.68 0.71 0.17 2.82 -0.00 -1.26 -4.68 115.22 113.66 2j0s n HIS 53 Ca -0.07 0.39 0.06 0.00 0.46 0.00 0.00 57.72 58.55 2j0s n HIS 53 Cb 0.52 -2.07 0.53 0.00 -0.12 0.00 0.00 29.99 28.85 2j0s n HIS 53 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 2j0s h LYS 54 N -0.60 0.16 -0.93 1.57 -0.00 -1.98 -1.47 116.57 113.32 2j0s h LYS 54 Ca -0.47 -0.02 0.12 0.00 -0.00 0.00 0.00 60.65 60.29 2j0s h LYS 54 Cb 1.32 -0.03 -0.07 0.00 -0.00 0.00 0.00 32.23 33.44 2j0s h LYS 54 CO 0.45 0.18 0.59 0.66 -0.00 0.00 0.00 179.45 181.33 2j0s h SER 55 N 0.16 0.79 -0.22 7.07 4.64 -1.99 0.29 113.55 124.29 2j0s h SER 55 Ca 0.04 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.35 2j0s h SER 55 Cb 0.11 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2j0s h SER 55 CO 0.00 0.42 -0.04 0.58 -0.87 0.00 0.00 176.83 176.93 2j0s h VAL 56 N 0.85 1.28 -0.83 0.95 2.07 -1.62 -2.00 116.25 116.95 2j0s h VAL 56 Ca 0.46 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2j0s h VAL 56 Cb 0.56 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2j0s h VAL 56 CO -0.22 0.31 0.55 0.24 0.02 0.00 0.00 177.57 178.47 2j0s h MET 57 N 0.15 1.07 -0.54 1.57 2.07 -1.19 -1.11 114.93 116.96 2j0s h MET 57 Ca 0.06 -0.06 -0.09 0.00 -2.07 0.00 0.00 59.70 57.54 2j0s h MET 57 Cb 0.48 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 2j0s h MET 57 CO 0.02 0.71 0.00 0.93 1.07 0.00 0.00 176.91 179.64 2j0s h GLU 58 N 1.10 0.96 -0.32 1.72 3.07 -0.25 -1.44 114.58 119.42 2j0s h GLU 58 Ca 0.31 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 2j0s h GLU 58 Cb -0.10 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 2j0s h GLU 58 CO -0.07 0.96 -0.08 1.49 -1.40 0.00 0.00 179.01 179.91 2j0s h GLU 59 N 0.84 0.62 -0.78 2.33 4.57 -1.13 -1.18 114.58 119.85 2j0s h GLU 59 Ca 0.15 -0.24 0.10 0.00 -1.18 0.00 0.00 59.36 58.19 2j0s h GLU 59 Cb 0.53 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 2j0s h GLU 59 CO 0.03 0.80 0.42 1.25 -1.18 0.00 0.00 179.01 180.33 2j0s h LEU 60 N 0.40 0.57 -0.54 1.64 5.85 -1.13 -0.68 115.31 121.42 2j0s h LEU 60 Ca 0.08 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2j0s h LEU 60 Cb 0.58 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2j0s h LEU 60 CO 0.03 0.32 0.34 0.11 -0.34 0.00 0.00 178.44 178.91 2j0s h LYS 61 N 0.70 0.72 -0.45 1.25 1.57 -1.01 -1.63 116.57 117.72 2j0s h LYS 61 Ca 0.38 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.19 2j0s h LYS 61 Cb 0.38 -0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 2j0s h LYS 61 CO -0.26 0.50 -0.03 -0.09 -0.57 0.00 0.00 179.45 179.00 2j0s h ARG 62 N 0.73 0.08 -0.50 3.15 2.43 -0.55 0.27 114.38 119.99 2j0s h ARG 62 Ca 0.20 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 2j0s h ARG 62 Cb -0.05 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2j0s h ARG 62 CO -0.04 0.05 0.16 0.82 -1.51 0.00 0.00 179.97 179.46 2j0s h ILE 63 N 0.08 1.23 -0.18 1.20 2.04 -0.82 0.89 117.51 121.95 2j0s h ILE 63 Ca 0.22 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2j0s h ILE 63 Cb 0.33 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2j0s h ILE 63 CO -0.40 0.27 0.07 0.40 0.00 0.00 0.00 178.15 178.49 2j0s h ILE 64 N 0.67 1.17 -0.08 -0.67 1.08 -0.95 -1.61 117.51 117.11 2j0s h ILE 64 Ca 0.16 -0.51 0.03 0.00 -0.39 0.00 0.00 64.86 64.15 2j0s h ILE 64 Cb 0.26 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 2j0s h ILE 64 CO -0.01 0.16 -0.10 0.44 -0.69 0.00 0.00 178.15 177.95 2j0s h ASP 65 N 0.12 -0.31 -0.57 1.72 3.32 -0.28 -2.73 116.42 117.69 2j0s h ASP 65 Ca 0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2j0s h ASP 65 Cb 0.19 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2j0s h ASP 65 CO -0.00 -0.14 0.36 0.44 -1.72 0.00 0.00 179.24 178.17 2j0s h ASP 66 N -0.14 0.67 0.39 6.45 5.19 -0.81 -2.36 116.42 125.82 2j0s h ASP 66 Ca 0.07 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 2j0s h ASP 66 Cb 0.23 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2j0s h ASP 66 CO -0.16 0.51 -0.20 0.77 -3.12 0.00 0.00 179.24 177.03 2j0s h SER 67 N 0.78 0.00 -2.74 6.45 4.64 -0.99 -3.46 113.55 118.23 2j0s h SER 67 Ca 0.21 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.15 2j0s h SER 67 Cb -0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 61.99 2j0s h SER 67 CO -0.04 0.20 -0.46 -0.62 -0.87 0.00 0.00 176.83 175.04 2j0s n GLU 68 N -3.84 -1.72 0.01 4.77 1.02 -0.89 -4.90 120.64 115.10 2j0s n GLU 68 Ca -0.02 0.96 0.13 0.00 -0.02 0.00 0.00 57.16 58.22 2j0s n GLU 68 Cb 0.30 -5.55 0.58 0.00 -0.02 0.00 0.00 31.44 26.75 2j0s n GLU 68 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2j0s h ILE 69 N 0.00 0.88 0.00 -3.67 6.09 -1.86 -1.86 117.51 117.09 2j0s h ILE 69 Ca -0.44 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 2j0s h ILE 69 Cb 1.31 0.64 0.00 0.00 0.47 0.00 0.00 36.82 39.25 2j0s h ILE 69 CO 0.54 0.04 0.00 0.35 -3.07 0.00 0.00 178.15 176.01 2j0s n THR 70 N -4.46 1.01 1.35 2.19 -2.24 -1.26 -1.15 114.28 109.71 2j0s n THR 70 Ca 0.07 0.35 0.14 0.00 -2.27 0.00 0.00 64.05 62.33 2j0s n THR 70 Cb 0.37 -1.26 0.49 0.00 -2.10 0.00 0.00 70.33 67.83 2j0s n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2j0s n LYS 71 N -2.01 0.91 -2.52 -0.78 4.76 -0.70 -4.94 118.16 112.88 2j0s n LYS 71 Ca 0.02 -0.47 -0.23 0.00 -2.87 0.00 0.00 58.31 54.76 2j0s n LYS 71 Cb 0.16 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 31.92 2j0s n LYS 71 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2j0s s GLU 72 N -2.41 2.25 -0.10 1.97 0.41 -0.30 -5.12 118.70 115.40 2j0s s GLU 72 Ca 0.28 -0.73 -0.12 0.00 -0.41 0.00 0.00 54.97 54.00 2j0s s GLU 72 Cb 0.20 -2.37 0.03 0.00 -1.78 0.00 0.00 34.13 30.20 2j0s s GLU 72 CO 0.48 -1.01 0.32 0.34 -0.49 0.00 0.00 175.26 174.89 2j0s s ASP 73 N -4.52 -0.31 -0.09 -0.19 2.15 -1.26 -5.06 116.67 107.39 2j0s s ASP 73 Ca 0.60 0.55 0.19 0.00 0.43 0.00 0.00 52.55 54.33 2j0s s ASP 73 Cb -0.09 0.60 0.71 0.00 -0.30 0.00 0.00 42.92 43.84 2j0s s ASP 73 CO 0.41 -0.17 1.62 -0.90 -0.17 0.00 0.00 175.17 175.96 2j0s n ASP 74 N 2.62 4.63 0.21 -0.34 5.75 -1.26 -4.56 116.55 123.60 2j0s n ASP 74 Ca -0.14 -2.36 0.12 0.00 -0.01 0.00 0.00 54.79 52.39 2j0s n ASP 74 Cb 0.57 -0.57 0.69 0.00 -1.03 0.00 0.00 41.12 40.78 2j0s n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j0s h ALA 75 N 4.21 2.05 -0.02 2.12 0.00 -1.98 -2.32 119.26 123.32 2j0s h ALA 75 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j0s h ALA 75 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2j0s h ALA 75 CO 0.19 -0.15 -0.34 1.28 0.00 0.00 0.00 179.25 180.24 2j0s n LEU 76 N -4.40 2.04 -4.78 0.00 4.77 -1.26 -4.98 117.00 108.39 2j0s n LEU 76 Ca -0.00 -0.81 -0.34 0.00 -0.03 0.00 0.00 56.01 54.83 2j0s n LEU 76 Cb 0.21 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2j0s n LEU 76 CO 0.34 0.37 0.76 0.26 -1.33 0.00 0.00 177.39 177.79 2j0s s TRP 77 N -2.15 2.70 0.33 -1.77 0.52 -0.88 -4.55 118.94 113.14 2j0s s TRP 77 Ca 0.18 1.55 -0.29 0.00 0.02 0.00 0.00 56.10 57.55 2j0s s TRP 77 Cb 0.16 -3.21 -0.12 0.00 -1.15 0.00 0.00 33.47 29.16 2j0s s TRP 77 CO 0.46 -1.52 1.49 -2.30 0.02 0.00 0.00 176.95 175.10 2j0s n PRO 78 N -1.72 2.54 -1.30 4.98 -0.02 -1.26 -4.96 135.00 133.26 2j0s n PRO 78 Ca 0.11 0.90 -0.30 0.00 -2.02 0.00 0.00 63.50 62.18 2j0s n PRO 78 Cb 0.52 -2.62 0.11 0.00 -0.02 0.00 0.00 33.50 31.49 2j0s n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2j0s s PRO 79 N -1.29 1.75 0.36 0.52 0.04 -1.26 -1.97 135.00 133.15 2j0s s PRO 79 Ca 0.59 0.88 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 2j0s s PRO 79 Cb -0.51 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.04 2j0s s PRO 79 CO 0.56 -1.91 0.91 -2.30 0.04 0.00 0.00 177.00 174.30 2j0s n PRO 80 N -3.67 1.16 -1.08 0.56 -0.02 -1.26 -3.52 135.00 127.17 2j0s n PRO 80 Ca 0.08 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2j0s n PRO 80 Cb 0.55 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 2j0s n PRO 80 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2j0s n ASP 81 N 1.01 0.00 -0.11 2.55 5.68 -0.61 -4.89 116.55 120.17 2j0s n ASP 81 Ca 0.10 -0.59 -0.06 0.00 -0.50 0.00 0.00 54.79 53.74 2j0s n ASP 81 Cb 0.36 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.46 2j0s n ASP 81 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2j0s h ARG 82 N 0.00 0.81 -0.49 0.11 2.47 -1.98 -2.15 114.38 113.16 2j0s h ARG 82 Ca 0.00 -0.26 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 2j0s h ARG 82 Cb 0.00 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 2j0s h ARG 82 CO 0.00 0.87 0.16 0.28 0.56 0.00 0.00 179.97 181.84 2j0s h VAL 83 N 0.74 1.20 0.00 2.04 2.07 -1.96 -3.42 116.25 116.91 2j0s h VAL 83 Ca 0.13 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2j0s h VAL 83 Cb 0.57 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2j0s h VAL 83 CO 0.04 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.49 2j0s n GLY 84 N -1.01 -0.43 3.07 2.17 0.00 -0.81 -4.70 105.19 103.48 2j0s n GLY 84 Ca 0.04 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 2j0s n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j0s s ARG 85 N -2.00 0.26 0.04 1.61 3.52 -0.58 -1.58 118.95 120.22 2j0s s ARG 85 Ca 0.00 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.78 2j0s s ARG 85 Cb 0.00 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 2j0s s ARG 85 CO 0.00 -0.04 -0.10 -0.65 -0.81 0.00 0.00 175.30 173.69 2j0s s GLN 86 N -0.16 0.69 0.00 5.12 -0.21 0.68 -1.91 119.66 123.86 2j0s s GLN 86 Ca -0.03 -0.71 -0.01 0.00 0.02 0.00 0.00 55.36 54.64 2j0s s GLN 86 Cb -0.02 -0.60 -0.01 0.00 1.00 0.00 0.00 33.01 33.38 2j0s s GLN 86 CO 0.01 0.14 0.02 -1.21 -2.12 0.00 0.00 175.29 172.12 2j0s s GLU 87 N -1.25 0.18 -0.02 2.91 2.02 -0.27 -1.45 118.70 120.82 2j0s s GLU 87 Ca -0.03 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.72 2j0s s GLU 87 Cb -0.08 0.07 0.03 0.00 0.10 0.00 0.00 34.13 34.25 2j0s s GLU 87 CO 0.01 -0.03 0.02 -1.17 0.02 0.00 0.00 175.26 174.11 2j0s s LEU 88 N -0.66 1.15 -0.07 1.80 2.96 -0.65 -1.23 118.68 121.96 2j0s s LEU 88 Ca -0.07 0.02 -0.00 0.00 -0.22 0.00 0.00 54.13 53.86 2j0s s LEU 88 Cb -0.05 -0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.58 2j0s s LEU 88 CO -0.00 -0.12 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.18 2j0s s GLU 89 N 1.00 0.90 -0.02 1.98 2.12 -0.34 0.03 118.70 124.38 2j0s s GLU 89 Ca -0.09 -0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.23 2j0s s GLU 89 Cb -0.12 -1.09 -0.00 0.00 0.26 0.00 0.00 34.13 33.17 2j0s s GLU 89 CO -0.03 -0.23 -0.10 0.42 -0.54 0.00 0.00 175.26 174.78 2j0s s ILE 90 N 1.62 0.86 -0.14 -3.70 1.01 -0.39 -1.20 121.20 119.27 2j0s s ILE 90 Ca 0.01 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2j0s s ILE 90 Cb -0.13 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2j0s s ILE 90 CO -0.04 0.26 -0.20 -0.69 0.00 0.00 0.00 174.94 174.26 2j0s s VAL 91 N -0.03 1.94 -0.18 2.92 1.01 -0.31 -1.22 120.40 124.53 2j0s s VAL 91 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.04 2j0s s VAL 91 Cb -0.07 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.67 2j0s s VAL 91 CO 0.00 0.53 0.23 -0.51 0.00 0.00 0.00 175.10 175.35 2j0s s ILE 92 N 0.88 -0.35 0.00 2.22 2.07 -0.20 -0.70 121.20 125.12 2j0s s ILE 92 Ca -0.06 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2j0s s ILE 92 Cb -0.15 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.83 2j0s s ILE 92 CO -0.03 -0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.51 2j0s n GLY 93 N 5.33 3.13 0.81 1.50 0.00 -0.94 -0.85 105.19 114.17 2j0s n GLY 93 Ca -0.05 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.13 2j0s n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2j0s n ASP 94 N 4.16 2.33 -4.64 1.61 5.68 -1.26 -4.87 116.55 119.56 2j0s n ASP 94 Ca 0.00 -2.12 -0.32 0.00 -0.50 0.00 0.00 54.79 51.85 2j0s n ASP 94 Cb 0.00 -0.33 -0.09 0.00 -1.14 0.00 0.00 41.12 39.55 2j0s n ASP 94 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2j0s s GLU 95 N -1.60 2.60 -0.12 0.11 2.02 -0.02 -5.11 118.70 116.58 2j0s s GLU 95 Ca 0.25 -0.72 -0.05 0.00 0.02 0.00 0.00 54.97 54.47 2j0s s GLU 95 Cb 0.15 -2.55 0.05 0.00 0.10 0.00 0.00 34.13 31.88 2j0s s GLU 95 CO 0.15 0.59 0.26 -3.38 0.02 0.00 0.00 175.26 172.90 2j0s s HIS 96 N -1.09 -0.38 0.12 1.61 -3.43 -1.26 -1.03 115.29 109.83 2j0s s HIS 96 Ca 0.20 0.88 0.04 0.00 -0.80 0.00 0.00 55.06 55.37 2j0s s HIS 96 Cb -0.11 0.02 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 2j0s s HIS 96 CO 0.11 -0.29 -0.09 0.96 -2.00 0.00 0.00 174.74 173.43 2j0s s ILE 97 N 1.72 1.00 -0.25 -5.38 -4.36 -0.36 -5.00 121.20 108.58 2j0s s ILE 97 Ca -0.05 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 58.41 2j0s s ILE 97 Cb -0.11 -1.66 0.13 0.00 1.25 0.00 0.00 42.46 42.07 2j0s s ILE 97 CO -0.09 -0.71 0.35 -0.55 0.24 0.00 0.00 174.94 174.17 2j0s s SER 98 N -2.92 0.59 0.07 4.36 0.15 -1.26 -1.26 113.70 113.44 2j0s s SER 98 Ca 0.12 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.80 2j0s s SER 98 Cb 0.01 0.93 -0.04 0.00 -1.71 0.00 0.00 66.02 65.22 2j0s s SER 98 CO -0.01 -0.32 0.01 -0.36 1.20 0.00 0.00 173.24 173.76 2j0s s PHE 99 N 2.49 3.03 -0.04 3.44 0.08 0.10 -4.90 117.98 122.19 2j0s s PHE 99 Ca 0.11 0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.15 2j0s s PHE 99 Cb -0.15 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.76 2j0s s PHE 99 CO -0.18 0.48 0.08 0.99 -0.10 0.00 0.00 175.22 176.49 2j0s s THR 100 N -1.28 -0.06 0.39 0.64 2.01 -1.26 -1.64 115.64 114.43 2j0s s THR 100 Ca 0.25 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 2j0s s THR 100 Cb -0.12 -0.15 0.05 0.00 0.01 0.00 0.00 72.50 72.29 2j0s s THR 100 CO 0.17 0.09 0.73 0.28 -0.69 0.00 0.00 174.62 175.20 2j0s s THR 101 N 1.18 0.00 1.09 -0.82 -1.32 -0.53 -4.78 115.64 110.46 2j0s s THR 101 Ca -0.08 -1.14 -0.17 0.00 -1.21 0.00 0.00 61.69 59.08 2j0s s THR 101 Cb -0.12 -2.92 0.24 0.00 -1.51 0.00 0.00 72.50 68.19 2j0s s THR 101 CO -0.04 0.00 1.18 -0.94 -2.21 0.00 0.00 174.62 172.61 2j0s s SER 102 N -3.13 1.93 0.55 8.08 1.04 -0.83 -0.23 113.70 121.11 2j0s s SER 102 Ca 0.19 0.55 -0.20 0.00 0.48 0.00 0.00 55.95 56.97 2j0s s SER 102 Cb -0.04 -0.76 -0.05 0.00 0.10 0.00 0.00 66.02 65.27 2j0s s SER 102 CO 0.14 -3.49 1.24 -0.54 0.98 0.00 0.00 173.24 171.57 2j0s s LYS 103 N -5.55 3.17 -0.31 4.02 1.02 -1.24 -4.07 119.74 116.78 2j0s s LYS 103 Ca 0.71 1.93 -0.09 0.00 0.02 0.00 0.00 55.97 58.55 2j0s s LYS 103 Cb -0.08 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2j0s s LYS 103 CO 0.55 -1.07 0.13 0.42 -0.92 0.00 0.00 175.35 174.45 2j0s s ILE 104 N -1.50 4.34 0.06 2.17 1.01 -1.26 -4.99 121.20 121.04 2j0s s ILE 104 Ca 0.73 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 60.64 2j0s s ILE 104 Cb -0.33 -3.24 -0.12 0.00 0.01 0.00 0.00 42.46 38.78 2j0s s ILE 104 CO 0.37 0.06 1.37 1.23 0.00 0.00 0.00 174.94 177.97 2j0s h GLY 105 N 8.31 0.51 -1.58 6.18 0.00 -1.97 -3.48 103.07 111.04 2j0s h GLY 105 Ca -0.31 -0.52 0.12 0.00 0.00 0.00 0.00 47.33 46.61 2j0s h GLY 105 CO 0.61 0.47 0.48 -1.35 0.00 0.00 0.00 176.54 176.75 2j0s s SER 106 N -6.26 -0.03 0.58 0.19 1.04 -1.26 -5.02 113.70 102.93 2j0s s SER 106 Ca -0.14 -0.74 0.29 0.00 0.48 0.00 0.00 55.95 55.84 2j0s s SER 106 Cb 0.06 0.59 1.47 0.00 0.10 0.00 0.00 66.02 68.25 2j0s s SER 106 CO 0.78 -1.16 1.89 -0.07 0.98 0.00 0.00 173.24 175.66 2j0s h LEU 107 N 2.00 0.00 -0.76 2.42 3.38 -1.99 -0.47 115.31 119.89 2j0s h LEU 107 Ca -0.28 0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.81 2j0s h LEU 107 Cb 1.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 2j0s h LEU 107 CO 0.35 0.00 0.36 0.40 0.09 0.00 0.00 178.44 179.64 2j0s h ILE 108 N 0.00 0.77 -0.06 1.22 2.04 -1.98 0.27 117.51 119.77 2j0s h ILE 108 Ca 0.24 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.77 2j0s h ILE 108 Cb 1.23 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2j0s h ILE 108 CO -0.00 0.10 -0.57 0.44 0.00 0.00 0.00 178.15 178.12 2j0s h ASP 109 N 0.57 0.21 0.31 1.72 3.32 -1.47 -0.29 116.42 120.78 2j0s h ASP 109 Ca 0.39 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 2j0s h ASP 109 Cb 0.50 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2j0s h ASP 109 CO -0.33 0.74 -0.15 0.58 -1.72 0.00 0.00 179.24 178.36 2j0s h VAL 110 N 0.14 0.70 -0.92 -1.35 2.07 -1.30 -3.16 116.25 112.42 2j0s h VAL 110 Ca -0.00 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2j0s h VAL 110 Cb 1.05 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 2j0s h VAL 110 CO 0.09 0.11 0.61 0.78 0.02 0.00 0.00 177.57 179.18 2j0s h ASN 111 N -0.74 1.06 -0.16 0.57 2.35 -0.40 -2.16 115.58 116.10 2j0s h ASN 111 Ca -0.04 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2j0s h ASN 111 Cb 0.50 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2j0s h ASN 111 CO 0.07 0.76 0.00 0.00 -1.65 0.00 0.00 177.43 176.61 2j0s n GLN 112 N -4.44 2.05 -2.68 0.81 1.13 -0.13 -4.85 117.38 109.26 2j0s n GLN 112 Ca 0.10 -0.85 -0.22 0.00 -1.94 0.00 0.00 57.00 54.10 2j0s n GLN 112 Cb 0.02 -1.70 0.07 0.00 0.11 0.00 0.00 30.24 28.73 2j0s n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2j0s s SER 113 N -0.22 4.87 0.00 1.08 1.04 -0.81 -5.00 113.70 114.66 2j0s s SER 113 Ca 0.15 -0.28 0.29 0.00 0.48 0.00 0.00 55.95 56.58 2j0s s SER 113 Cb 0.11 -0.35 1.19 0.00 0.10 0.00 0.00 66.02 67.07 2j0s s SER 113 CO 0.04 -1.46 1.84 0.29 0.98 0.00 0.00 173.24 174.94 2j0s n LYS 114 N -2.52 0.52 -3.16 4.02 4.76 -1.26 -4.32 118.16 116.20 2j0s n LYS 114 Ca 0.12 -0.16 -0.19 0.00 -2.87 0.00 0.00 58.31 55.21 2j0s n LYS 114 Cb 0.60 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 2j0s n LYS 114 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2j0s n ASP 115 N -1.10 1.24 0.04 4.39 2.03 -1.26 -4.99 116.55 116.90 2j0s n ASP 115 Ca 0.13 -3.08 0.07 0.00 0.52 0.00 0.00 54.79 52.42 2j0s n ASP 115 Cb 0.29 -0.61 0.49 0.00 -0.72 0.00 0.00 41.12 40.56 2j0s n ASP 115 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2j0s h PRO 116 N 3.00 0.40 -0.05 -0.67 0.13 -1.75 -1.49 132.00 131.56 2j0s h PRO 116 Ca 0.10 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 2j0s h PRO 116 Cb 0.92 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2j0s h PRO 116 CO 0.54 0.26 -0.78 1.05 -0.23 0.00 0.00 178.00 178.83 2j0s h GLU 117 N 0.41 0.36 0.01 0.86 9.09 -1.94 -1.50 114.58 121.88 2j0s h GLU 117 Ca 0.15 -0.32 -0.10 0.00 0.05 0.00 0.00 59.36 59.13 2j0s h GLU 117 Cb 0.08 0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.27 2j0s h GLU 117 CO -0.03 0.98 -0.40 0.78 0.05 0.00 0.00 179.01 180.39 2j0s h GLY 118 N 1.37 0.28 2.00 1.06 0.00 -1.85 -3.04 103.07 102.89 2j0s h GLY 118 Ca -0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 2j0s h GLY 118 CO 0.13 0.45 -0.26 1.41 0.00 0.00 0.00 176.54 178.27 2j0s h LEU 119 N -0.39 0.00 -0.02 3.11 3.38 -1.33 -1.75 115.31 118.31 2j0s h LEU 119 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2j0s h LEU 119 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2j0s h LEU 119 CO 0.08 0.26 0.00 -0.09 0.09 0.00 0.00 178.44 178.78 2j0s h ARG 120 N 0.00 0.03 -0.42 1.13 2.43 -1.33 0.23 114.38 116.45 2j0s h ARG 120 Ca -0.00 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.24 2j0s h ARG 120 Cb 0.47 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.93 2j0s h ARG 120 CO 0.03 0.32 -0.14 0.28 -1.51 0.00 0.00 179.97 178.95 2j0s h VAL 121 N -0.26 0.51 0.04 0.20 2.07 -1.38 -2.33 116.25 115.09 2j0s h VAL 121 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 2j0s h VAL 121 Cb 0.30 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 2j0s h VAL 121 CO 0.00 0.00 -0.22 0.15 0.02 0.00 0.00 177.57 177.52 2j0s h PHE 122 N -0.05 -0.57 -0.47 1.57 3.57 -1.29 -1.05 116.94 118.66 2j0s h PHE 122 Ca 0.20 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.81 2j0s h PHE 122 Cb 0.36 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 2j0s h PHE 122 CO -0.40 -0.30 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.29 2j0s h TYR 123 N -0.36 -0.40 -0.11 0.41 3.20 -0.22 -1.65 116.97 117.84 2j0s h TYR 123 Ca 0.05 0.05 -0.19 0.00 3.14 0.00 0.00 58.73 61.78 2j0s h TYR 123 Cb 0.42 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2j0s h TYR 123 CO -0.24 -0.26 -0.70 1.88 -1.64 0.00 0.00 178.16 177.20 2j0s h TYR 124 N -0.07 0.68 -0.54 -3.82 0.05 -1.31 -2.93 116.97 109.04 2j0s h TYR 124 Ca 0.23 -0.29 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 2j0s h TYR 124 Cb 0.41 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.02 2j0s h TYR 124 CO -0.45 1.05 0.22 1.25 -1.05 0.00 0.00 178.16 179.19 2j0s h LEU 125 N 0.36 0.73 -0.86 3.88 5.85 -0.71 -0.70 115.31 123.86 2j0s h LEU 125 Ca -0.03 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.59 2j0s h LEU 125 Cb 1.28 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 2j0s h LEU 125 CO 0.13 0.69 0.54 0.58 -0.34 0.00 0.00 178.44 180.04 2j0s h VAL 126 N 0.73 1.05 -0.22 1.05 2.07 -1.33 0.28 116.25 119.88 2j0s h VAL 126 Ca 0.18 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 2j0s h VAL 126 Cb 0.18 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2j0s h VAL 126 CO -0.02 0.18 0.11 1.56 0.02 0.00 0.00 177.57 179.43 2j0s h GLN 127 N 0.98 0.30 -0.84 1.57 4.20 -1.28 -0.63 115.11 119.41 2j0s h GLN 127 Ca 0.38 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.03 2j0s h GLN 127 Cb 0.16 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.84 2j0s h GLN 127 CO -0.17 0.30 0.47 -0.44 -0.67 0.00 0.00 178.83 178.32 2j0s h ASP 128 N 0.23 1.04 -0.44 1.46 3.32 -0.23 -1.25 116.42 120.55 2j0s h ASP 128 Ca 0.08 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2j0s h ASP 128 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2j0s h ASP 128 CO -0.01 0.83 0.10 -0.07 -1.72 0.00 0.00 179.24 178.37 2j0s h LEU 129 N 1.17 0.68 -0.64 1.55 3.38 -0.23 -2.55 115.31 118.67 2j0s h LEU 129 Ca 0.30 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2j0s h LEU 129 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2j0s h LEU 129 CO -0.05 0.75 0.24 0.11 0.09 0.00 0.00 178.44 179.57 2j0s h LYS 130 N 0.59 0.96 -0.61 1.13 1.57 -1.00 -0.85 116.57 118.37 2j0s h LYS 130 Ca 0.14 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2j0s h LYS 130 Cb 0.34 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 2j0s h LYS 130 CO 0.00 0.82 0.29 0.00 -0.57 0.00 0.00 179.45 180.00 2j0s h LEU 132 N 0.53 0.29 -0.32 0.00 5.85 -1.22 -2.87 115.31 117.57 2j0s h LEU 132 Ca 0.29 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2j0s h LEU 132 Cb 0.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2j0s h LEU 132 CO -0.23 0.69 0.15 0.58 -0.34 0.00 0.00 178.44 179.29 2j0s h VAL 133 N -0.11 1.16 -0.14 1.05 2.07 -0.90 -1.80 116.25 117.58 2j0s h VAL 133 Ca 0.02 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2j0s h VAL 133 Cb 0.60 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2j0s h VAL 133 CO 0.03 0.16 -0.03 -0.26 0.02 0.00 0.00 177.57 177.48 2j0s h PHE 134 N 0.38 0.20 -0.41 1.57 0.04 -0.61 -1.47 116.94 116.65 2j0s h PHE 134 Ca 0.11 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.75 2j0s h PHE 134 Cb 0.12 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2j0s h PHE 134 CO -0.02 0.25 -0.22 0.77 -0.60 0.00 0.00 178.31 178.49 2j0s h SER 135 N 0.20 0.90 0.04 2.17 0.02 -1.25 -0.53 113.55 115.10 2j0s h SER 135 Ca 0.05 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2j0s h SER 135 Cb 0.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2j0s h SER 135 CO 0.01 1.11 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.72 2j0s h LEU 136 N 0.69 -0.05 -0.85 5.07 3.38 -0.52 -0.45 115.31 122.58 2j0s h LEU 136 Ca 0.09 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.69 2j0s h LEU 136 Cb 0.78 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2j0s h LEU 136 CO 0.06 0.23 -0.56 0.16 0.09 0.00 0.00 178.44 178.43 2j0s h ILE 137 N -0.33 1.35 0.25 1.22 3.07 -1.37 -1.42 117.51 120.28 2j0s h ILE 137 Ca -0.01 -1.94 -0.01 0.00 1.55 0.00 0.00 64.86 64.45 2j0s h ILE 137 Cb 0.30 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.91 2j0s h ILE 137 CO 0.01 0.55 -0.12 1.23 -1.05 0.00 0.00 178.15 178.77 2j0s h GLY 138 N 1.78 -0.34 2.00 0.16 0.00 -0.93 -1.41 103.07 104.32 2j0s h GLY 138 Ca -0.01 0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 2j0s h GLY 138 CO 0.07 -0.13 -0.60 1.41 0.00 0.00 0.00 176.54 177.30 2j0s h LEU 139 N -0.55 0.01 -0.10 3.11 3.38 -1.01 -1.16 115.31 118.99 2j0s h LEU 139 Ca -0.03 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 2j0s h LEU 139 Cb 0.41 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2j0s h LEU 139 CO 0.06 0.60 -1.00 -0.74 0.09 0.00 0.00 178.44 177.45 2j0s h HIS 140 N 0.00 0.76 0.00 1.13 2.76 -1.20 -3.41 115.15 115.19 2j0s h HIS 140 Ca -0.01 -0.42 -0.16 0.00 -2.20 0.00 0.00 60.37 57.58 2j0s h HIS 140 Cb 1.06 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 2j0s h HIS 140 CO 0.00 1.25 -1.62 1.19 -1.30 0.00 0.00 177.93 177.45 2j0s n PHE 141 N -3.77 0.00 -3.21 5.26 3.72 -0.54 -5.00 117.46 113.92 2j0s n PHE 141 Ca -0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.91 2j0s n PHE 141 Cb 0.86 -0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 38.88 2j0s n PHE 141 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2j0s s LYS 142 N -2.23 4.02 0.23 -1.08 2.20 -0.44 -5.03 119.74 117.41 2j0s s LYS 142 Ca -0.04 0.30 -0.32 0.00 -0.36 0.00 0.00 55.97 55.55 2j0s s LYS 142 Cb 0.03 -3.67 -0.12 0.00 -1.51 0.00 0.00 37.83 32.55 2j0s s LYS 142 CO 0.37 -0.40 1.62 -0.89 -0.36 0.00 0.00 175.35 175.69 2j0s n ILE 143 N 5.21 0.42 -2.23 5.43 5.41 -1.26 -4.81 119.36 127.53 2j0s n ILE 143 Ca -0.03 -0.10 -0.42 0.00 1.00 0.00 0.00 62.75 63.19 2j0s n ILE 143 Cb 0.49 -1.84 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 2j0s n ILE 143 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2j0s s LYS 144 N 0.43 4.25 0.35 0.38 2.20 -1.26 -4.89 119.74 121.20 2j0s s LYS 144 Ca 0.72 1.94 0.05 0.00 -0.36 0.00 0.00 55.97 58.31 2j0s s LYS 144 Cb -0.55 -3.72 0.71 0.00 -1.51 0.00 0.00 37.83 32.76 2j0s s LYS 144 CO 0.40 -0.67 1.95 -1.35 -0.36 0.00 0.00 175.35 175.32 2j0s h PRO 145 N 8.32 0.78 0.00 4.03 0.11 -2.04 -3.57 132.00 139.63 2j0s h PRO 145 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2j0s h PRO 145 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2j0s h PRO 145 CO 0.93 0.52 0.00 -0.89 -0.21 0.00 0.00 178.00 178.35