#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dtx s ILE 1 N 0.00 4.01 -0.06 1.12 1.01 -1.26 -5.02 121.20 121.00 3dtx s ILE 1 Ca 0.00 1.15 0.02 0.00 0.00 0.00 0.00 60.65 61.82 3dtx s ILE 1 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3dtx s ILE 1 CO 0.00 -0.39 -0.12 -1.10 0.00 0.00 0.00 174.94 173.33 3dtx s GLN 2 N 4.26 1.66 -0.03 2.79 -0.21 -1.26 -4.49 119.66 122.38 3dtx s GLN 2 Ca 0.61 -0.40 0.06 0.00 0.02 0.00 0.00 55.36 55.65 3dtx s GLN 2 Cb -0.20 -1.38 -0.01 0.00 1.00 0.00 0.00 33.01 32.42 3dtx s GLN 2 CO 0.24 0.02 -0.22 1.03 -2.12 0.00 0.00 175.29 174.25 3dtx s ARG 3 N 0.67 1.87 0.25 2.91 0.52 0.53 -4.92 118.95 120.77 3dtx s ARG 3 Ca -0.14 -0.77 -0.17 0.00 -0.52 0.00 0.00 55.73 54.12 3dtx s ARG 3 Cb -0.16 -1.74 -0.08 0.00 0.52 0.00 0.00 34.95 33.49 3dtx s ARG 3 CO 0.04 0.43 0.71 -0.08 0.02 0.00 0.00 175.30 176.41 3dtx s THR 4 N -0.39 4.64 0.26 0.02 -1.32 -1.26 -1.95 115.64 115.64 3dtx s THR 4 Ca 0.05 1.12 -0.29 0.00 -1.21 0.00 0.00 61.69 61.35 3dtx s THR 4 Cb -0.09 -3.76 -0.09 0.00 -1.51 0.00 0.00 72.50 67.04 3dtx s THR 4 CO 0.00 0.07 1.26 -2.16 -2.21 0.00 0.00 174.62 171.58 3dtx s PRO 5 N -2.33 4.43 0.40 7.08 0.04 -1.26 -4.24 135.00 139.12 3dtx s PRO 5 Ca 0.46 2.05 -0.23 0.00 0.04 0.00 0.00 61.00 63.33 3dtx s PRO 5 Cb -0.14 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 3dtx s PRO 5 CO 0.20 -0.12 0.96 0.15 0.04 0.00 0.00 177.00 178.23 3dtx s LYS 6 N -1.01 4.29 -0.04 4.56 1.02 0.10 -4.93 119.74 123.73 3dtx s LYS 6 Ca 0.51 1.24 0.01 0.00 0.02 0.00 0.00 55.97 57.74 3dtx s LYS 6 Cb -0.37 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.58 3dtx s LYS 6 CO 0.44 0.02 -0.03 0.42 -0.92 0.00 0.00 175.35 175.28 3dtx s ILE 7 N -1.95 0.41 -0.05 2.17 1.01 -1.26 -2.27 121.20 119.26 3dtx s ILE 7 Ca 0.59 -0.04 0.04 0.00 0.00 0.00 0.00 60.65 61.23 3dtx s ILE 7 Cb -0.14 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.87 3dtx s ILE 7 CO 0.18 0.20 -0.15 -1.10 0.00 0.00 0.00 174.94 174.07 3dtx s GLN 8 N 1.00 1.75 -0.13 2.79 -0.21 -0.80 -5.01 119.66 119.05 3dtx s GLN 8 Ca -0.10 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 54.76 3dtx s GLN 8 Cb -0.14 -1.49 -0.00 0.00 1.00 0.00 0.00 33.01 32.38 3dtx s GLN 8 CO -0.01 0.17 -0.18 0.08 -2.12 0.00 0.00 175.29 173.23 3dtx s VAL 9 N 0.23 2.45 0.10 1.09 1.01 -1.26 -1.07 120.40 122.96 3dtx s VAL 9 Ca -0.07 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 3dtx s VAL 9 Cb -0.13 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.33 3dtx s VAL 9 CO 0.03 0.54 0.89 -0.72 0.00 0.00 0.00 175.10 175.83 3dtx s TYR 10 N 0.61 -0.25 0.20 5.22 1.13 -0.66 -4.51 117.35 119.09 3dtx s TYR 10 Ca -0.10 0.00 -0.01 0.00 -1.41 0.00 0.00 57.07 55.56 3dtx s TYR 10 Cb -0.16 0.60 -0.04 0.00 -1.10 0.00 0.00 41.96 41.26 3dtx s TYR 10 CO 0.03 -0.75 0.38 -1.54 -2.51 0.00 0.00 175.55 171.17 3dtx s SER 11 N -2.75 6.39 0.07 -0.18 1.04 -1.26 0.28 113.70 117.28 3dtx s SER 11 Ca 0.09 0.39 -0.23 0.00 0.48 0.00 0.00 55.95 56.67 3dtx s SER 11 Cb -0.01 -2.01 -0.16 0.00 0.10 0.00 0.00 66.02 63.94 3dtx s SER 11 CO -0.03 -0.04 1.64 -0.09 0.98 0.00 0.00 173.24 175.70 3dtx h ARG 12 N 2.03 0.02 -6.18 4.02 2.43 -1.29 -3.45 114.38 111.96 3dtx h ARG 12 Ca -0.48 -0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.13 3dtx h ARG 12 Cb 1.19 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.64 3dtx h ARG 12 CO 0.68 0.12 -0.64 -1.01 -1.51 0.00 0.00 179.97 177.61 3dtx s HIS 13 N -5.76 2.66 0.36 2.20 3.76 -1.26 -5.03 115.29 112.21 3dtx s HIS 13 Ca -0.14 -0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.23 3dtx s HIS 13 Cb 0.05 -1.25 -0.11 0.00 1.11 0.00 0.00 32.58 32.38 3dtx s HIS 13 CO 0.67 0.59 1.52 -2.30 -0.85 0.00 0.00 174.74 174.36 3dtx n PRO 14 N -0.91 2.69 -2.01 8.40 -0.02 -1.26 -4.86 135.00 137.03 3dtx n PRO 14 Ca -0.06 0.95 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 3dtx n PRO 14 Cb 0.60 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3dtx n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dtx s ALA 15 N -0.87 3.68 -0.15 3.55 0.00 -1.26 -5.01 121.76 121.71 3dtx s ALA 15 Ca 0.55 1.21 -0.01 0.00 0.00 0.00 0.00 51.96 53.71 3dtx s ALA 15 Cb -0.48 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.06 3dtx s ALA 15 CO 0.60 -0.87 -0.03 -2.00 0.00 0.00 0.00 175.76 173.47 3dtx s GLU 16 N 1.79 1.11 0.06 0.00 2.12 -1.26 -5.12 118.70 117.39 3dtx s GLU 16 Ca 0.69 -0.34 -0.34 0.00 0.36 0.00 0.00 54.97 55.34 3dtx s GLU 16 Cb -0.40 -1.76 -0.13 0.00 0.26 0.00 0.00 34.13 32.10 3dtx s GLU 16 CO 0.31 -0.43 1.67 0.09 -0.54 0.00 0.00 175.26 176.36 3dtx n ASN 17 N 4.98 3.10 0.00 -1.70 3.02 -1.26 -1.38 115.26 122.01 3dtx n ASN 17 Ca -0.10 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 3dtx n ASN 17 Cb 0.48 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 3dtx n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dtx n GLY 18 N 3.72 1.37 3.67 7.41 0.00 -0.26 -4.99 105.19 116.10 3dtx n GLY 18 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3dtx n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dtx s LYS 19 N -0.59 3.95 0.41 1.61 2.20 -0.48 -4.99 119.74 121.84 3dtx s LYS 19 Ca 0.00 -0.31 -0.27 0.00 -0.36 0.00 0.00 55.97 55.03 3dtx s LYS 19 Cb 0.00 -3.23 -0.09 0.00 -1.51 0.00 0.00 37.83 32.99 3dtx s LYS 19 CO 0.00 0.33 1.40 0.45 -0.36 0.00 0.00 175.35 177.17 3dtx s SER 20 N 0.23 6.21 0.35 1.43 0.15 -1.26 -4.10 113.70 116.71 3dtx s SER 20 Ca 0.05 2.87 -0.09 0.00 0.70 0.00 0.00 55.95 59.49 3dtx s SER 20 Cb -0.12 -2.65 0.04 0.00 -1.71 0.00 0.00 66.02 61.57 3dtx s SER 20 CO -0.00 -0.94 0.62 -3.20 1.20 0.00 0.00 173.24 170.92 3dtx n ASN 21 N 0.18 -1.79 -4.17 5.45 2.85 0.22 -4.98 115.26 113.02 3dtx n ASN 21 Ca 0.03 -2.61 -0.31 0.00 -0.11 0.00 0.00 54.58 51.58 3dtx n ASN 21 Cb 0.41 3.09 -0.17 0.00 1.24 0.00 0.00 39.78 44.35 3dtx n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3dtx s PHE 22 N -2.82 2.40 -0.16 1.20 0.40 -1.26 -0.09 117.98 117.64 3dtx s PHE 22 Ca 0.20 -1.05 -0.21 0.00 -0.60 0.00 0.00 56.93 55.27 3dtx s PHE 22 Cb -0.03 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.84 3dtx s PHE 22 CO 0.15 -0.46 0.61 -1.17 0.70 0.00 0.00 175.22 175.04 3dtx s LEU 23 N 0.57 4.19 -0.07 -0.37 2.96 0.36 -0.70 118.68 125.62 3dtx s LEU 23 Ca -0.14 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3dtx s LEU 23 Cb -0.17 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 3dtx s LEU 23 CO 0.04 -0.20 -0.11 0.20 -1.32 0.00 0.00 176.35 174.97 3dtx s ASN 24 N 1.04 4.32 -0.19 3.68 0.01 0.14 -1.73 114.94 122.21 3dtx s ASN 24 Ca 0.29 -0.13 0.01 0.00 -0.71 0.00 0.00 52.86 52.32 3dtx s ASN 24 Cb -0.16 -1.10 0.03 0.00 0.41 0.00 0.00 41.25 40.43 3dtx s ASN 24 CO 0.11 0.33 -0.13 0.00 -1.51 0.00 0.00 177.10 175.90 3dtx s TYR 26 N 1.37 3.15 -0.10 0.00 5.04 -0.23 -0.29 117.35 126.29 3dtx s TYR 26 Ca 0.01 -0.42 -0.00 0.00 -2.44 0.00 0.00 57.07 54.21 3dtx s TYR 26 Cb -0.15 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.82 3dtx s TYR 26 CO -0.09 -0.38 -0.08 0.14 -1.34 0.00 0.00 175.55 173.80 3dtx s VAL 27 N 1.63 3.57 0.12 3.14 -7.23 -0.02 -1.90 120.40 119.72 3dtx s VAL 27 Ca 0.06 -0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 3dtx s VAL 27 Cb -0.16 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.33 3dtx s VAL 27 CO 0.06 0.56 0.41 -0.94 -0.31 0.00 0.00 175.10 174.88 3dtx s SER 28 N -0.31 -0.25 -0.67 4.85 1.04 -0.96 -0.37 113.70 117.03 3dtx s SER 28 Ca 0.04 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3dtx s SER 28 Cb -0.13 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3dtx s SER 28 CO 0.02 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3dtx n GLY 29 N -0.21 0.70 3.79 7.32 0.00 -0.01 -0.72 105.19 116.05 3dtx n GLY 29 Ca -0.16 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 3dtx n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dtx s PHE 30 N -2.27 3.14 -0.25 1.61 -0.71 -1.21 -4.29 117.98 114.01 3dtx s PHE 30 Ca 0.00 -0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 55.72 3dtx s PHE 30 Cb 0.00 -1.53 0.07 0.00 -1.21 0.00 0.00 43.02 40.35 3dtx s PHE 30 CO 0.00 0.52 0.63 -1.58 -1.34 0.00 0.00 175.22 173.45 3dtx s HIS 31 N -1.66 -0.88 1.15 3.49 2.46 -0.82 -1.24 115.29 117.79 3dtx s HIS 31 Ca 0.30 1.88 -0.19 0.00 0.47 0.00 0.00 55.06 57.52 3dtx s HIS 31 Cb -0.10 0.45 0.28 0.00 -0.13 0.00 0.00 32.58 33.07 3dtx s HIS 31 CO 0.23 -0.44 1.19 -1.25 -2.47 0.00 0.00 174.74 172.00 3dtx s PRO 32 N 1.18 -0.86 0.36 2.88 0.04 -1.26 -0.35 135.00 136.99 3dtx s PRO 32 Ca -0.07 -0.28 0.26 0.00 0.04 0.00 0.00 61.00 60.95 3dtx s PRO 32 Cb -0.05 -1.66 0.77 0.00 0.04 0.00 0.00 34.50 33.60 3dtx s PRO 32 CO -0.12 -3.43 1.75 0.66 0.04 0.00 0.00 177.00 175.89 3dtx h SER 33 N -2.38 0.00 -2.88 6.66 4.64 -1.99 -3.45 113.55 114.15 3dtx h SER 33 Ca -0.43 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 3dtx h SER 33 Cb 1.26 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.37 3dtx h SER 33 CO 0.31 0.00 0.84 -1.81 -0.87 0.00 0.00 176.83 175.30 3dtx s ASP 34 N -5.27 6.74 -0.17 4.97 1.11 -1.26 -4.98 116.67 117.81 3dtx s ASP 34 Ca 0.07 2.36 -0.25 0.00 0.18 0.00 0.00 52.55 54.91 3dtx s ASP 34 Cb 0.09 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.56 3dtx s ASP 34 CO 0.58 -0.75 0.64 -0.51 1.18 0.00 0.00 175.17 176.32 3dtx s ILE 35 N 1.76 0.00 -0.17 0.77 2.07 -1.26 -4.64 121.20 119.73 3dtx s ILE 35 Ca 0.67 -0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.88 3dtx s ILE 35 Cb -0.37 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.29 3dtx s ILE 35 CO 0.30 -0.02 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.47 3dtx s GLU 36 N -0.26 3.22 -0.09 3.50 2.12 -0.45 -5.00 118.70 121.74 3dtx s GLU 36 Ca -0.04 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.56 3dtx s GLU 36 Cb -0.03 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.69 3dtx s GLU 36 CO 0.04 -0.04 -0.11 0.08 -0.54 0.00 0.00 175.26 174.69 3dtx s VAL 37 N 0.97 1.18 0.01 3.70 1.01 -1.26 -0.62 120.40 125.39 3dtx s VAL 37 Ca -0.02 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3dtx s VAL 37 Cb -0.15 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3dtx s VAL 37 CO -0.02 0.38 -0.20 -1.81 0.00 0.00 0.00 175.10 173.45 3dtx s ASP 38 N 1.10 3.64 -0.18 3.32 1.01 0.13 -4.98 116.67 120.71 3dtx s ASP 38 Ca -0.06 -0.40 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 3dtx s ASP 38 Cb -0.14 -0.58 -0.05 0.00 1.01 0.00 0.00 42.92 43.16 3dtx s ASP 38 CO -0.02 0.29 0.17 -0.76 0.21 0.00 0.00 175.17 175.06 3dtx s LEU 39 N -1.10 4.25 -0.04 1.23 1.43 -1.26 -0.13 118.68 123.05 3dtx s LEU 39 Ca 0.13 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 3dtx s LEU 39 Cb -0.10 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 3dtx s LEU 39 CO 0.03 0.20 -0.10 -0.76 0.23 0.00 0.00 176.35 175.95 3dtx s LEU 40 N 0.14 3.00 -0.23 1.79 1.43 0.10 -0.80 118.68 124.11 3dtx s LEU 40 Ca 0.11 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3dtx s LEU 40 Cb -0.12 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3dtx s LEU 40 CO 0.00 0.33 -0.09 -0.75 0.23 0.00 0.00 176.35 176.08 3dtx s LYS 41 N -0.95 2.91 -1.48 1.70 2.20 0.22 -1.95 119.74 122.40 3dtx s LYS 41 Ca 0.13 -0.92 -0.05 0.00 -0.36 0.00 0.00 55.97 54.77 3dtx s LYS 41 Cb -0.11 -2.90 0.04 0.00 -1.51 0.00 0.00 37.83 33.35 3dtx s LYS 41 CO 0.03 -0.34 0.57 0.09 -0.36 0.00 0.00 175.35 175.33 3dtx n ASN 42 N 4.67 -1.43 0.00 1.43 3.02 0.11 -1.92 115.26 121.13 3dtx n ASN 42 Ca -0.17 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 3dtx n ASN 42 Cb 0.48 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.51 3dtx n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dtx n GLY 43 N -1.80 1.47 3.46 7.41 0.00 -1.26 -5.03 105.19 109.44 3dtx n GLY 43 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3dtx n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dtx s GLU 44 N -0.23 2.07 0.05 1.61 0.41 -0.81 -5.04 118.70 116.77 3dtx s GLU 44 Ca 0.00 -0.98 -0.31 0.00 -0.41 0.00 0.00 54.97 53.27 3dtx s GLU 44 Cb 0.00 -2.19 -0.07 0.00 -1.78 0.00 0.00 34.13 30.09 3dtx s GLU 44 CO 0.00 0.54 1.56 0.50 -0.49 0.00 0.00 175.26 177.38 3dtx s ARG 45 N -1.43 4.23 0.07 1.61 3.52 -1.26 -0.61 118.95 125.07 3dtx s ARG 45 Ca 0.15 2.21 -0.30 0.00 -0.13 0.00 0.00 55.73 57.65 3dtx s ARG 45 Cb -0.10 -3.57 -0.05 0.00 -1.56 0.00 0.00 34.95 29.66 3dtx s ARG 45 CO 0.05 -0.67 1.14 0.42 -0.81 0.00 0.00 175.30 175.43 3dtx s ILE 46 N 2.49 4.16 0.44 4.11 1.01 0.02 -4.87 121.20 128.56 3dtx s ILE 46 Ca 0.70 1.60 -0.11 0.00 0.00 0.00 0.00 60.65 62.85 3dtx s ILE 46 Cb -0.37 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 3dtx s ILE 46 CO 0.30 0.15 0.82 -1.61 0.00 0.00 0.00 174.94 174.60 3dtx s GLU 47 N 0.81 3.76 -1.36 2.79 2.02 -1.26 -4.30 118.70 121.16 3dtx s GLU 47 Ca 0.56 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 56.06 3dtx s GLU 47 Cb -0.28 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.62 3dtx s GLU 47 CO 0.30 -0.12 0.14 1.63 0.02 0.00 0.00 175.26 177.23 3dtx n LYS 48 N -1.54 -2.04 -2.30 1.61 5.02 -1.26 -4.97 118.16 112.68 3dtx n LYS 48 Ca 0.03 0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 56.68 3dtx n LYS 48 Cb 0.54 -5.21 -0.03 0.00 -0.02 0.00 0.00 35.03 30.31 3dtx n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dtx s VAL 49 N -2.89 3.65 0.28 -0.18 1.01 -1.26 -4.97 120.40 116.04 3dtx s VAL 49 Ca 0.07 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.29 3dtx s VAL 49 Cb -0.03 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 3dtx s VAL 49 CO 0.08 0.10 0.41 -1.61 0.00 0.00 0.00 175.10 174.08 3dtx s GLU 50 N 0.98 3.34 0.05 2.72 2.02 -0.87 -4.94 118.70 122.00 3dtx s GLU 50 Ca 0.61 -0.80 -0.03 0.00 0.02 0.00 0.00 54.97 54.77 3dtx s GLU 50 Cb -0.33 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 3dtx s GLU 50 CO 0.30 0.30 0.03 -3.38 0.02 0.00 0.00 175.26 172.53 3dtx s HIS 51 N -2.07 0.35 0.99 1.61 -3.43 -1.26 -1.11 115.29 110.38 3dtx s HIS 51 Ca 0.38 -0.76 -0.12 0.00 -0.80 0.00 0.00 55.06 53.75 3dtx s HIS 51 Cb -0.09 -0.25 0.19 0.00 -1.43 0.00 0.00 32.58 30.99 3dtx s HIS 51 CO 0.30 -0.36 1.09 -1.54 -2.00 0.00 0.00 174.74 172.23 3dtx s SER 52 N -2.44 2.64 0.07 7.38 1.04 0.07 -4.99 113.70 117.46 3dtx s SER 52 Ca -0.00 1.29 -0.25 0.00 0.48 0.00 0.00 55.95 57.47 3dtx s SER 52 Cb 0.02 -1.97 -0.06 0.00 0.10 0.00 0.00 66.02 64.11 3dtx s SER 52 CO -0.07 -3.14 0.77 -1.81 0.98 0.00 0.00 173.24 169.97 3dtx s ASP 53 N -3.35 7.24 -0.24 7.02 1.01 -1.26 -4.77 116.67 122.32 3dtx s ASP 53 Ca 0.65 1.48 -0.40 0.00 0.71 0.00 0.00 52.55 54.99 3dtx s ASP 53 Cb -0.19 -2.47 -0.17 0.00 1.01 0.00 0.00 42.92 41.10 3dtx s ASP 53 CO 0.58 0.05 1.64 -0.11 0.21 0.00 0.00 175.17 177.53 3dtx n LEU 54 N 2.59 2.03 -4.24 1.23 7.94 -1.26 -4.96 117.00 120.34 3dtx n LEU 54 Ca -0.03 1.10 -0.17 0.00 -1.11 0.00 0.00 56.01 55.80 3dtx n LEU 54 Cb 0.50 -1.11 -0.08 0.00 0.53 0.00 0.00 43.42 43.26 3dtx n LEU 54 CO 0.47 -0.64 -0.09 -0.55 -1.11 0.00 0.00 177.39 175.47 3dtx s SER 55 N 2.84 1.32 0.07 1.96 0.15 -1.22 -5.05 113.70 113.76 3dtx s SER 55 Ca 0.97 -1.65 -0.13 0.00 0.70 0.00 0.00 55.95 55.84 3dtx s SER 55 Cb -1.11 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 63.76 3dtx s SER 55 CO 0.64 -1.07 0.28 0.72 1.20 0.00 0.00 173.24 175.02 3dtx s PHE 56 N -3.50 -0.04 0.72 3.44 -0.12 -1.26 -1.31 117.98 115.90 3dtx s PHE 56 Ca 0.39 -0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 57.03 3dtx s PHE 56 Cb 0.03 0.08 0.11 0.00 -0.63 0.00 0.00 43.02 42.60 3dtx s PHE 56 CO 0.24 -0.55 1.00 -1.12 -0.05 0.00 0.00 175.22 174.74 3dtx s SER 57 N -2.42 4.44 0.40 1.98 0.01 -0.68 -4.92 113.70 112.51 3dtx s SER 57 Ca -0.01 -0.10 0.15 0.00 1.31 0.00 0.00 55.95 57.30 3dtx s SER 57 Cb 0.01 -0.37 1.01 0.00 0.21 0.00 0.00 66.02 66.88 3dtx s SER 57 CO -0.07 -1.80 1.87 0.11 0.41 0.00 0.00 173.24 173.77 3dtx h LYS 58 N -0.56 0.47 -0.09 12.44 1.57 -2.03 0.27 116.57 128.64 3dtx h LYS 58 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3dtx h LYS 58 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3dtx h LYS 58 CO 0.45 0.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.24 3dtx n ASP 59 N -4.52 0.43 0.00 0.86 5.75 -1.26 -4.89 116.55 112.92 3dtx n ASP 59 Ca 0.18 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 3dtx n ASP 59 Cb 0.59 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3dtx n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3dtx n TRP 60 N -0.27 0.00 -2.60 2.11 7.02 0.97 -5.01 117.44 119.66 3dtx n TRP 60 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 3dtx n TRP 60 Cb 0.07 -0.11 -0.05 0.00 -2.42 0.00 0.00 31.31 28.80 3dtx n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3dtx s SER 61 N -3.52 6.82 0.43 -0.99 1.04 -1.26 -4.70 113.70 111.52 3dtx s SER 61 Ca 0.00 1.97 -0.07 0.00 0.48 0.00 0.00 55.95 58.33 3dtx s SER 61 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 3dtx s SER 61 CO 0.00 -0.45 0.75 -0.36 0.98 0.00 0.00 173.24 174.16 3dtx s PHE 62 N -1.72 3.52 0.02 5.02 0.08 -0.37 -1.68 117.98 122.84 3dtx s PHE 62 Ca 0.58 0.87 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 3dtx s PHE 62 Cb -0.20 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 3dtx s PHE 62 CO 0.25 -0.16 0.01 1.52 -0.10 0.00 0.00 175.22 176.74 3dtx s TYR 63 N -2.53 0.22 -0.06 0.36 -0.85 -0.42 -0.83 117.35 113.24 3dtx s TYR 63 Ca 0.48 -0.47 -0.09 0.00 -0.52 0.00 0.00 57.07 56.48 3dtx s TYR 63 Cb -0.10 -0.17 0.02 0.00 0.38 0.00 0.00 41.96 42.09 3dtx s TYR 63 CO 0.38 -0.22 0.23 -0.51 -1.52 0.00 0.00 175.55 173.90 3dtx s LEU 64 N -1.51 1.16 -0.21 -3.49 1.43 0.50 -3.46 118.68 113.10 3dtx s LEU 64 Ca -0.15 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3dtx s LEU 64 Cb -0.09 0.84 -0.01 0.00 0.03 0.00 0.00 46.19 46.96 3dtx s LEU 64 CO -0.01 -0.19 -0.04 -0.22 0.23 0.00 0.00 176.35 176.12 3dtx s LEU 65 N -0.36 2.94 -0.16 1.79 2.96 -1.26 -0.84 118.68 123.75 3dtx s LEU 65 Ca -0.05 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3dtx s LEU 65 Cb -0.03 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3dtx s LEU 65 CO 0.01 0.02 0.09 -0.31 -1.32 0.00 0.00 176.35 174.84 3dtx s TYR 66 N 1.26 3.38 0.05 5.38 1.51 0.60 -0.75 117.35 128.78 3dtx s TYR 66 Ca 0.03 0.27 -0.11 0.00 -1.01 0.00 0.00 57.07 56.26 3dtx s TYR 66 Cb -0.14 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.68 3dtx s TYR 66 CO -0.01 0.37 0.23 1.52 -1.11 0.00 0.00 175.55 176.55 3dtx s TYR 67 N -0.12 0.02 -0.17 2.71 1.13 -0.26 0.12 117.35 120.78 3dtx s TYR 67 Ca 0.09 -0.27 -0.23 0.00 -1.41 0.00 0.00 57.07 55.24 3dtx s TYR 67 Cb -0.12 0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.81 3dtx s TYR 67 CO 0.01 -0.48 0.61 -0.08 -2.51 0.00 0.00 175.55 173.10 3dtx s THR 68 N -2.86 0.00 0.19 -3.49 -1.32 -0.70 -2.06 115.64 105.40 3dtx s THR 68 Ca -0.03 -0.04 -0.33 0.00 -1.21 0.00 0.00 61.69 60.09 3dtx s THR 68 Cb 0.00 -0.88 -0.14 0.00 -1.51 0.00 0.00 72.50 69.98 3dtx s THR 68 CO -0.05 -0.02 1.44 -0.62 -2.21 0.00 0.00 174.62 173.15 3dtx n GLU 69 N 2.20 1.92 -3.68 7.08 -0.58 -1.26 -0.49 120.64 125.83 3dtx n GLU 69 Ca -0.16 0.69 -0.13 0.00 -0.42 0.00 0.00 57.16 57.14 3dtx n GLU 69 Cb 0.56 -2.37 -0.07 0.00 -0.57 0.00 0.00 31.44 29.00 3dtx n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 3dtx s PHE 70 N 0.31 -0.25 -0.40 -0.32 -0.71 0.88 -4.81 117.98 112.67 3dtx s PHE 70 Ca 0.74 0.24 0.02 0.00 -1.04 0.00 0.00 56.93 56.89 3dtx s PHE 70 Cb -0.70 0.20 0.11 0.00 -1.21 0.00 0.00 43.02 41.41 3dtx s PHE 70 CO 0.46 -0.54 0.14 0.99 -1.34 0.00 0.00 175.22 174.92 3dtx s THR 71 N -2.28 2.61 0.55 -4.49 2.01 -1.26 0.69 115.64 113.47 3dtx s THR 71 Ca -0.07 -2.49 -0.21 0.00 0.31 0.00 0.00 61.69 59.23 3dtx s THR 71 Cb -0.01 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.59 3dtx s THR 71 CO -0.01 -0.67 1.34 -2.16 -0.69 0.00 0.00 174.62 172.44 3dtx s PRO 72 N 0.69 3.13 0.34 4.92 0.04 -1.26 -4.78 135.00 138.08 3dtx s PRO 72 Ca 0.12 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.40 3dtx s PRO 72 Cb -0.21 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 3dtx s PRO 72 CO -0.06 -1.19 0.19 0.95 0.04 0.00 0.00 177.00 176.94 3dtx s THR 73 N -1.32 0.28 0.19 1.26 -4.23 -1.26 -1.11 115.64 109.45 3dtx s THR 73 Ca 0.72 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.13 3dtx s THR 73 Cb -0.40 -2.46 0.11 0.00 1.34 0.00 0.00 72.50 71.10 3dtx s THR 73 CO 0.47 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.21 3dtx h GLU 74 N 2.07 1.06 0.00 3.99 4.81 -1.97 -3.35 114.58 121.18 3dtx h GLU 74 Ca -0.31 -0.20 -0.36 0.00 -0.13 0.00 0.00 59.36 58.35 3dtx h GLU 74 Cb 1.25 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 3dtx h GLU 74 CO 0.48 0.89 -2.33 0.36 -0.73 0.00 0.00 179.01 177.68 3dtx n LYS 75 N -4.35 0.68 -2.03 1.92 0.00 -1.26 -4.95 118.16 108.17 3dtx n LYS 75 Ca 0.05 0.03 -0.42 0.00 -0.00 0.00 0.00 58.31 57.97 3dtx n LYS 75 Cb 0.19 -1.55 -0.03 0.00 -0.00 0.00 0.00 35.03 33.65 3dtx n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3dtx s ASP 76 N -5.63 6.69 -0.18 -5.58 1.01 -1.26 -4.99 116.67 106.72 3dtx s ASP 76 Ca -0.11 2.47 -0.05 0.00 0.71 0.00 0.00 52.55 55.57 3dtx s ASP 76 Cb 0.06 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 3dtx s ASP 76 CO 0.81 -0.77 0.01 -1.61 0.21 0.00 0.00 175.17 173.83 3dtx s GLU 77 N 1.36 3.73 0.23 8.23 2.02 -1.26 -4.71 118.70 128.30 3dtx s GLU 77 Ca 0.68 -0.47 0.10 0.00 0.02 0.00 0.00 54.97 55.30 3dtx s GLU 77 Cb -0.40 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 3dtx s GLU 77 CO 0.31 0.15 -0.10 0.71 0.02 0.00 0.00 175.26 176.34 3dtx s TYR 78 N 0.65 2.55 0.13 1.61 2.02 -1.26 0.04 117.35 123.09 3dtx s TYR 78 Ca 0.00 -0.26 -0.25 0.00 -0.37 0.00 0.00 57.07 56.20 3dtx s TYR 78 Cb -0.14 -1.18 0.07 0.00 -0.40 0.00 0.00 41.96 40.31 3dtx s TYR 78 CO 0.02 0.59 0.76 0.00 -1.57 0.00 0.00 175.55 175.36 3dtx s ALA 79 N -2.08 -1.62 -0.04 3.71 0.00 -0.82 -0.75 121.76 120.16 3dtx s ALA 79 Ca 0.28 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.77 3dtx s ALA 79 Cb -0.07 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 3dtx s ALA 79 CO 0.16 -0.83 -0.21 0.00 0.00 0.00 0.00 175.76 174.88 3dtx s ARG 81 N -0.49 3.43 -0.14 0.00 3.52 0.82 -1.57 118.95 124.52 3dtx s ARG 81 Ca 0.06 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.06 3dtx s ARG 81 Cb -0.11 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3dtx s ARG 81 CO 0.01 -0.08 -0.20 0.08 -0.81 0.00 0.00 175.30 174.31 3dtx s VAL 82 N 1.16 2.33 -0.03 7.11 1.01 0.56 -0.70 120.40 131.84 3dtx s VAL 82 Ca 0.02 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.16 3dtx s VAL 82 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3dtx s VAL 82 CO -0.01 0.54 -0.21 0.21 0.00 0.00 0.00 175.10 175.63 3dtx s ASN 83 N 0.69 3.46 0.06 3.32 3.84 0.21 -0.14 114.94 126.37 3dtx s ASN 83 Ca -0.09 -0.36 -0.13 0.00 0.21 0.00 0.00 52.86 52.49 3dtx s ASN 83 Cb -0.16 -0.58 0.02 0.00 -0.55 0.00 0.00 41.25 39.98 3dtx s ASN 83 CO 0.01 0.33 0.29 -2.28 -2.79 0.00 0.00 177.10 172.66 3dtx s HIS 84 N -0.63 -0.07 0.45 0.43 5.65 -1.26 -1.34 115.29 118.51 3dtx s HIS 84 Ca 0.10 -0.12 0.23 0.00 0.25 0.00 0.00 55.06 55.52 3dtx s HIS 84 Cb -0.10 0.08 1.22 0.00 -1.18 0.00 0.00 32.58 32.60 3dtx s HIS 84 CO -0.00 -0.52 1.85 -0.24 -0.65 0.00 0.00 174.74 175.18 3dtx h VAL 85 N 3.11 0.60 0.00 0.89 3.04 -1.95 0.16 116.25 122.10 3dtx h VAL 85 Ca -0.32 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 3dtx h VAL 85 Cb 1.20 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 3dtx h VAL 85 CO 0.47 0.05 0.00 0.35 -1.01 0.00 0.00 177.57 177.43 3dtx n THR 86 N -4.45 0.60 -4.48 3.17 -2.24 -1.26 -4.71 114.28 100.91 3dtx n THR 86 Ca 0.20 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.80 3dtx n THR 86 Cb 0.83 -0.82 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 3dtx n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dtx s LEU 87 N -2.91 3.11 0.24 3.22 1.43 0.04 -5.00 118.68 118.82 3dtx s LEU 87 Ca 0.11 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 3dtx s LEU 87 Cb 0.13 -1.74 0.27 0.00 0.03 0.00 0.00 46.19 44.88 3dtx s LEU 87 CO 0.34 0.16 1.59 0.77 0.23 0.00 0.00 176.35 179.44 3dtx h SER 88 N 6.74 0.34 -5.05 2.29 4.64 -1.84 -3.44 113.55 117.23 3dtx h SER 88 Ca -0.30 -0.18 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 3dtx h SER 88 Cb 1.20 -0.10 -0.19 0.00 -0.31 0.00 0.00 62.40 63.00 3dtx h SER 88 CO 0.61 0.81 -0.66 0.00 -0.87 0.00 0.00 176.83 176.72 3dtx s GLN 89 N -3.92 0.41 0.21 4.77 -2.07 -1.26 -5.14 119.66 112.67 3dtx s GLN 89 Ca -0.05 -0.74 -0.31 0.00 -1.82 0.00 0.00 55.36 52.45 3dtx s GLN 89 Cb 0.12 0.15 -0.15 0.00 -1.09 0.00 0.00 33.01 32.04 3dtx s GLN 89 CO 0.80 -0.08 1.00 -2.30 -1.32 0.00 0.00 175.29 173.39 3dtx n PRO 90 N 1.19 1.00 -3.48 9.60 -0.02 -1.26 -4.94 135.00 137.08 3dtx n PRO 90 Ca -0.21 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.25 3dtx n PRO 90 Cb 0.57 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 3dtx n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3dtx s LYS 91 N -0.89 4.26 -0.17 -0.52 2.20 0.80 -4.89 119.74 120.52 3dtx s LYS 91 Ca 0.67 0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 56.39 3dtx s LYS 91 Cb -0.83 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.02 3dtx s LYS 91 CO 0.56 0.18 -0.01 0.42 -0.36 0.00 0.00 175.35 176.14 3dtx s ILE 92 N 0.64 4.14 -0.16 5.43 1.01 -1.26 -0.32 121.20 130.68 3dtx s ILE 92 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.57 3dtx s ILE 92 Cb -0.14 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.52 3dtx s ILE 92 CO 0.05 0.47 -0.16 -0.69 0.00 0.00 0.00 174.94 174.62 3dtx s VAL 93 N 0.46 1.74 0.37 2.92 1.01 -0.61 -4.99 120.40 121.30 3dtx s VAL 93 Ca -0.02 -0.78 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 3dtx s VAL 93 Cb -0.14 -1.63 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 3dtx s VAL 93 CO 0.02 0.45 1.11 -0.54 0.00 0.00 0.00 175.10 176.14 3dtx s LYS 94 N 1.41 4.24 -0.09 2.72 1.02 -1.26 -1.22 119.74 126.57 3dtx s LYS 94 Ca 0.04 1.71 -0.30 0.00 0.02 0.00 0.00 55.97 57.44 3dtx s LYS 94 Cb -0.13 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 3dtx s LYS 94 CO -0.11 -0.12 1.28 -0.46 -0.92 0.00 0.00 175.35 175.02 3dtx s TRP 95 N -1.44 2.96 -0.17 3.18 -0.00 0.07 -4.85 118.94 118.69 3dtx s TRP 95 Ca 0.54 1.03 0.01 0.00 -0.00 0.00 0.00 56.10 57.68 3dtx s TRP 95 Cb -0.28 -3.51 0.02 0.00 -0.00 0.00 0.00 33.47 29.70 3dtx s TRP 95 CO 0.35 -1.75 -0.19 0.34 -0.00 0.00 0.00 176.95 175.70 3dtx s ASP 96 N 1.81 3.05 0.25 5.86 -1.08 -1.26 -4.69 116.67 120.60 3dtx s ASP 96 Ca 0.57 -0.62 0.22 0.00 -0.52 0.00 0.00 52.55 52.21 3dtx s ASP 96 Cb -0.25 -1.43 0.97 0.00 -1.46 0.00 0.00 42.92 40.75 3dtx s ASP 96 CO 0.20 0.01 1.67 -2.11 0.52 0.00 0.00 175.17 175.46 3dtx n ARG 97 N 4.54 0.17 -0.01 4.34 1.85 -1.26 -1.38 116.66 124.90 3dtx n ARG 97 Ca -0.20 0.45 0.13 0.00 -1.00 0.00 0.00 57.85 57.23 3dtx n ARG 97 Cb 0.50 -1.85 0.62 0.00 -1.05 0.00 0.00 32.46 30.68 3dtx n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3dtx n ASP 98 N -2.17 0.94 0.00 2.89 8.00 -1.26 -4.82 116.55 120.13 3dtx n ASP 98 Ca 0.02 -1.39 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3dtx n ASP 98 Cb 0.19 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3dtx n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04