#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6s s ILE 1 N 0.00 3.75 0.08 1.12 -1.09 -1.26 -5.04 121.20 118.76 3b6s s ILE 1 Ca 0.00 1.30 0.08 0.00 -2.23 0.00 0.00 60.65 59.80 3b6s s ILE 1 Cb 0.00 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 3b6s s ILE 1 CO 0.00 0.13 -0.21 -1.10 -1.23 0.00 0.00 174.94 172.53 3b6s s GLN 2 N 0.76 1.22 -0.08 2.79 -0.21 -1.26 -4.72 119.66 118.17 3b6s s GLN 2 Ca 0.59 -1.10 0.01 0.00 0.02 0.00 0.00 55.36 54.88 3b6s s GLN 2 Cb -0.32 -1.45 0.02 0.00 1.00 0.00 0.00 33.01 32.26 3b6s s GLN 2 CO 0.31 0.35 -0.07 1.03 -2.12 0.00 0.00 175.29 174.79 3b6s s ARG 3 N -1.67 1.32 0.30 2.91 0.52 -0.03 -4.93 118.95 117.36 3b6s s ARG 3 Ca 0.07 -0.23 -0.28 0.00 -0.52 0.00 0.00 55.73 54.78 3b6s s ARG 3 Cb -0.10 -1.30 -0.10 0.00 0.52 0.00 0.00 34.95 33.98 3b6s s ARG 3 CO 0.03 -0.14 0.96 -0.08 0.02 0.00 0.00 175.30 176.09 3b6s s THR 4 N 1.25 4.10 0.24 0.02 -1.32 -1.26 -1.54 115.64 117.13 3b6s s THR 4 Ca -0.05 1.87 -0.30 0.00 -1.21 0.00 0.00 61.69 62.01 3b6s s THR 4 Cb -0.14 -4.10 -0.10 0.00 -1.51 0.00 0.00 72.50 66.65 3b6s s THR 4 CO -0.02 0.27 1.35 -2.16 -2.21 0.00 0.00 174.62 171.85 3b6s s PRO 5 N -1.74 4.35 0.38 7.08 0.04 -1.26 -4.40 135.00 139.45 3b6s s PRO 5 Ca 0.47 2.17 -0.24 0.00 0.04 0.00 0.00 61.00 63.44 3b6s s PRO 5 Cb -0.22 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.08 3b6s s PRO 5 CO 0.28 -0.29 0.98 0.15 0.04 0.00 0.00 177.00 178.16 3b6s s LYS 6 N -0.56 4.33 -0.05 4.56 1.02 0.40 -4.91 119.74 124.54 3b6s s LYS 6 Ca 0.56 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.86 3b6s s LYS 6 Cb -0.39 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 3b6s s LYS 6 CO 0.43 0.04 -0.02 0.42 -0.92 0.00 0.00 175.35 175.30 3b6s s ILE 7 N -1.82 0.38 -0.08 2.17 1.01 -1.26 -1.93 121.20 119.67 3b6s s ILE 7 Ca 0.57 0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.25 3b6s s ILE 7 Cb -0.16 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.85 3b6s s ILE 7 CO 0.21 0.21 -0.11 -1.10 0.00 0.00 0.00 174.94 174.15 3b6s s GLN 8 N 1.26 1.66 -0.14 2.79 -0.21 -0.64 -5.00 119.66 119.37 3b6s s GLN 8 Ca -0.06 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 54.93 3b6s s GLN 8 Cb -0.13 -1.44 -0.02 0.00 1.00 0.00 0.00 33.01 32.42 3b6s s GLN 8 CO -0.02 -0.04 -0.10 0.08 -2.12 0.00 0.00 175.29 173.10 3b6s s VAL 9 N 0.88 3.30 0.17 1.09 1.01 -1.26 -0.81 120.40 124.77 3b6s s VAL 9 Ca -0.11 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3b6s s VAL 9 Cb -0.15 -2.41 0.06 0.00 0.00 0.00 0.00 36.38 33.87 3b6s s VAL 9 CO 0.01 0.51 0.89 -0.72 0.00 0.00 0.00 175.10 175.79 3b6s s TYR 10 N 0.42 -0.17 0.16 5.22 1.13 -0.58 -4.54 117.35 119.00 3b6s s TYR 10 Ca -0.08 -0.16 0.05 0.00 -1.41 0.00 0.00 57.07 55.47 3b6s s TYR 10 Cb -0.15 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.32 3b6s s TYR 10 CO 0.04 -0.90 0.16 -1.54 -2.51 0.00 0.00 175.55 170.81 3b6s s SER 11 N -2.90 5.66 0.13 -0.18 1.04 -1.26 -0.18 113.70 116.01 3b6s s SER 11 Ca 0.11 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.31 3b6s s SER 11 Cb -0.02 -1.52 -0.00 0.00 0.10 0.00 0.00 66.02 64.57 3b6s s SER 11 CO 0.02 0.06 1.67 -0.09 0.98 0.00 0.00 173.24 175.88 3b6s h ARG 12 N 2.34 0.64 -6.24 4.02 2.43 -1.57 -3.45 114.38 112.55 3b6s h ARG 12 Ca -0.48 -0.13 -0.59 0.00 -0.81 0.00 0.00 59.98 57.97 3b6s h ARG 12 Cb 1.20 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 3b6s h ARG 12 CO 0.64 0.61 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.99 3b6s s HIS 13 N -5.46 2.46 0.27 2.20 3.76 -1.26 -5.04 115.29 112.22 3b6s s HIS 13 Ca -0.13 -0.28 -0.30 0.00 -0.15 0.00 0.00 55.06 54.19 3b6s s HIS 13 Cb 0.10 -1.09 -0.13 0.00 1.11 0.00 0.00 32.58 32.57 3b6s s HIS 13 CO 0.76 0.66 1.34 -2.30 -0.85 0.00 0.00 174.74 174.35 3b6s n PRO 14 N -0.64 1.99 -2.16 8.40 -0.02 -1.26 -4.85 135.00 136.45 3b6s n PRO 14 Ca -0.06 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 3b6s n PRO 14 Cb 0.59 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 3b6s n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b6s s ALA 15 N -0.44 3.60 -0.18 3.55 0.00 -1.26 -5.00 121.76 122.03 3b6s s ALA 15 Ca 0.64 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.59 3b6s s ALA 15 Cb -0.64 -3.60 0.05 0.00 0.00 0.00 0.00 23.12 18.94 3b6s s ALA 15 CO 0.54 -0.86 -0.04 -2.00 0.00 0.00 0.00 175.76 173.40 3b6s s GLU 16 N 2.08 1.34 -0.00 0.00 2.12 -1.26 -5.11 118.70 117.87 3b6s s GLU 16 Ca 0.66 -0.58 -0.36 0.00 0.36 0.00 0.00 54.97 55.05 3b6s s GLU 16 Cb -0.34 -2.12 -0.14 0.00 0.26 0.00 0.00 34.13 31.79 3b6s s GLU 16 CO 0.28 -0.49 1.65 0.09 -0.54 0.00 0.00 175.26 176.25 3b6s n ASN 17 N 4.87 2.78 0.00 -1.70 3.02 -1.26 -1.19 115.26 121.78 3b6s n ASN 17 Ca -0.11 1.06 0.00 0.00 -0.03 0.00 0.00 54.58 55.49 3b6s n ASN 17 Cb 0.47 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3b6s n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b6s n GLY 18 N 3.66 0.94 3.48 7.41 0.00 -0.21 -4.99 105.19 115.47 3b6s n GLY 18 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3b6s n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3b6s s LYS 19 N -0.64 3.66 0.37 1.61 2.20 -0.33 -4.99 119.74 121.62 3b6s s LYS 19 Ca 0.00 -0.51 -0.27 0.00 -0.36 0.00 0.00 55.97 54.84 3b6s s LYS 19 Cb 0.00 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 33.18 3b6s s LYS 19 CO 0.00 0.12 1.21 0.45 -0.36 0.00 0.00 175.35 176.78 3b6s n SER 20 N 3.90 2.33 -1.64 1.43 2.88 -1.26 -4.22 113.62 117.04 3b6s n SER 20 Ca -0.17 1.15 -0.04 0.00 -1.33 0.00 0.00 58.87 58.47 3b6s n SER 20 Cb 0.52 -1.45 -0.01 0.00 -0.75 0.00 0.00 64.21 62.53 3b6s n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3b6s n ASN 21 N 0.61 -0.53 -4.17 -3.46 2.85 0.93 -4.98 115.26 106.50 3b6s n ASN 21 Ca 0.06 -1.60 -0.28 0.00 -0.11 0.00 0.00 54.58 52.65 3b6s n ASN 21 Cb 0.37 0.95 -0.16 0.00 1.24 0.00 0.00 39.78 42.17 3b6s n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3b6s s PHE 22 N -4.93 2.03 -0.22 1.20 0.40 -1.26 -1.66 117.98 113.53 3b6s s PHE 22 Ca 0.09 -0.66 -0.13 0.00 -0.60 0.00 0.00 56.93 55.63 3b6s s PHE 22 Cb -0.01 -1.36 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 3b6s s PHE 22 CO 0.06 -0.24 0.26 -1.17 0.70 0.00 0.00 175.22 174.83 3b6s s LEU 23 N 0.12 4.13 -0.05 -0.37 2.96 0.59 -1.26 118.68 124.80 3b6s s LEU 23 Ca -0.08 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 3b6s s LEU 23 Cb -0.14 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 3b6s s LEU 23 CO 0.04 0.01 -0.16 0.20 -1.32 0.00 0.00 176.35 175.11 3b6s s ASN 24 N 1.05 3.85 -0.21 3.68 0.01 0.74 -1.81 114.94 122.25 3b6s s ASN 24 Ca 0.12 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.03 3b6s s ASN 24 Cb -0.14 -0.84 0.04 0.00 0.41 0.00 0.00 41.25 40.73 3b6s s ASN 24 CO 0.06 0.32 -0.12 0.00 -1.51 0.00 0.00 177.10 175.85 3b6s s TYR 26 N 1.33 3.20 -0.11 0.00 5.04 0.01 -0.83 117.35 125.99 3b6s s TYR 26 Ca -0.02 -0.34 -0.02 0.00 -2.44 0.00 0.00 57.07 54.26 3b6s s TYR 26 Cb -0.16 -2.41 -0.03 0.00 0.35 0.00 0.00 41.96 39.71 3b6s s TYR 26 CO -0.08 -0.38 -0.05 0.14 -1.34 0.00 0.00 175.55 173.84 3b6s s VAL 27 N 1.68 3.84 0.19 3.14 -7.23 -0.36 -1.62 120.40 120.03 3b6s s VAL 27 Ca 0.06 -0.40 -0.14 0.00 -1.81 0.00 0.00 61.98 59.68 3b6s s VAL 27 Cb -0.17 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.15 3b6s s VAL 27 CO 0.08 0.55 0.43 -0.94 -0.31 0.00 0.00 175.10 174.92 3b6s s SER 28 N -0.23 -0.14 -0.82 4.85 1.04 -0.81 -0.55 113.70 117.03 3b6s s SER 28 Ca 0.04 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.83 3b6s s SER 28 Cb -0.13 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3b6s s SER 28 CO 0.02 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3b6s n GLY 29 N -0.29 0.97 3.71 7.32 0.00 -0.50 -0.45 105.19 115.95 3b6s n GLY 29 Ca -0.09 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 3b6s n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3b6s s PHE 30 N -2.28 3.00 -0.20 1.61 -0.71 -1.19 -4.38 117.98 113.83 3b6s s PHE 30 Ca 0.00 -0.04 -0.19 0.00 -1.04 0.00 0.00 56.93 55.66 3b6s s PHE 30 Cb 0.00 -1.51 0.05 0.00 -1.21 0.00 0.00 43.02 40.36 3b6s s PHE 30 CO 0.00 0.50 0.54 -1.58 -1.34 0.00 0.00 175.22 173.34 3b6s s HIS 31 N -1.47 -0.60 1.23 3.49 2.46 -0.59 -1.40 115.29 118.41 3b6s s HIS 31 Ca 0.27 1.45 -0.19 0.00 0.47 0.00 0.00 55.06 57.07 3b6s s HIS 31 Cb -0.11 0.20 0.30 0.00 -0.13 0.00 0.00 32.58 32.84 3b6s s HIS 31 CO 0.19 -0.29 1.06 -1.25 -2.47 0.00 0.00 174.74 171.98 3b6s s PRO 32 N 0.27 -1.44 0.45 2.88 0.04 -1.26 -0.85 135.00 135.09 3b6s s PRO 32 Ca -0.00 0.12 0.25 0.00 0.04 0.00 0.00 61.00 61.41 3b6s s PRO 32 Cb -0.04 -1.55 0.78 0.00 0.04 0.00 0.00 34.50 33.73 3b6s s PRO 32 CO 0.01 -3.89 1.76 0.66 0.04 0.00 0.00 177.00 175.58 3b6s h SER 33 N -2.72 0.00 -2.80 6.66 4.64 -1.99 -3.44 113.55 113.90 3b6s h SER 33 Ca -0.47 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.31 3b6s h SER 33 Cb 1.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.41 3b6s h SER 33 CO 0.37 0.14 0.92 -1.81 -0.87 0.00 0.00 176.83 175.57 3b6s s ASP 34 N -6.09 6.74 -0.06 4.97 1.01 -1.26 -4.97 116.67 117.01 3b6s s ASP 34 Ca 0.03 2.26 -0.21 0.00 0.71 0.00 0.00 52.55 55.35 3b6s s ASP 34 Cb 0.08 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.49 3b6s s ASP 34 CO 0.63 -0.80 0.47 -0.51 0.21 0.00 0.00 175.17 175.17 3b6s s ILE 35 N 2.62 0.03 -0.12 0.77 2.07 -1.26 -4.66 121.20 120.64 3b6s s ILE 35 Ca 0.68 -0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.73 3b6s s ILE 35 Cb -0.35 -0.75 0.01 0.00 0.13 0.00 0.00 42.46 41.49 3b6s s ILE 35 CO 0.29 -0.12 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.27 3b6s s GLU 36 N -0.95 2.99 -0.07 3.50 2.12 -0.60 -5.00 118.70 120.69 3b6s s GLU 36 Ca -0.10 -0.85 0.01 0.00 0.36 0.00 0.00 54.97 54.39 3b6s s GLU 36 Cb -0.03 -2.36 0.02 0.00 0.26 0.00 0.00 34.13 32.02 3b6s s GLU 36 CO 0.05 0.05 -0.07 0.08 -0.54 0.00 0.00 175.26 174.83 3b6s s VAL 37 N 0.65 0.84 0.03 3.70 1.01 -1.26 -0.74 120.40 124.64 3b6s s VAL 37 Ca -0.11 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3b6s s VAL 37 Cb -0.16 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3b6s s VAL 37 CO 0.02 0.31 -0.18 -1.81 0.00 0.00 0.00 175.10 173.44 3b6s s ASP 38 N 1.17 3.82 -0.16 3.32 1.01 0.35 -4.97 116.67 121.22 3b6s s ASP 38 Ca -0.06 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 52.73 3b6s s ASP 38 Cb -0.14 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.12 3b6s s ASP 38 CO -0.02 0.26 0.06 -0.76 0.21 0.00 0.00 175.17 174.92 3b6s s LEU 39 N -1.37 3.83 -0.02 1.23 1.43 -1.26 -0.46 118.68 122.05 3b6s s LEU 39 Ca 0.14 0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 3b6s s LEU 39 Cb -0.10 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 3b6s s LEU 39 CO 0.05 0.24 -0.16 -0.76 0.23 0.00 0.00 176.35 175.95 3b6s s LEU 40 N -0.04 2.64 -0.20 1.79 1.43 0.44 -0.42 118.68 124.32 3b6s s LEU 40 Ca 0.06 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3b6s s LEU 40 Cb -0.12 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.60 3b6s s LEU 40 CO 0.01 0.32 -0.15 -0.75 0.23 0.00 0.00 176.35 176.01 3b6s s LYS 41 N -0.90 2.50 -1.51 1.70 2.20 -0.02 -1.88 119.74 121.82 3b6s s LYS 41 Ca 0.12 -0.94 -0.11 0.00 -0.36 0.00 0.00 55.97 54.68 3b6s s LYS 41 Cb -0.11 -2.57 0.08 0.00 -1.51 0.00 0.00 37.83 33.72 3b6s s LYS 41 CO 0.02 -0.36 0.87 0.09 -0.36 0.00 0.00 175.35 175.61 3b6s n ASN 42 N 4.60 -3.70 0.00 1.43 3.02 0.17 -2.38 115.26 118.40 3b6s n ASN 42 Ca -0.17 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 3b6s n ASN 42 Cb 0.47 -3.70 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 3b6s n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3b6s n GLY 43 N -1.66 1.74 3.52 7.41 0.00 -1.26 -5.03 105.19 109.91 3b6s n GLY 43 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3b6s n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b6s s GLU 44 N -0.37 2.22 0.14 1.61 0.41 -1.00 -5.01 118.70 116.70 3b6s s GLU 44 Ca 0.00 -0.92 -0.31 0.00 -0.41 0.00 0.00 54.97 53.33 3b6s s GLU 44 Cb 0.00 -2.31 -0.09 0.00 -1.78 0.00 0.00 34.13 29.95 3b6s s GLU 44 CO 0.00 0.55 1.57 0.50 -0.49 0.00 0.00 175.26 177.40 3b6s s ARG 45 N -1.61 4.22 0.05 1.61 3.52 -1.26 -0.84 118.95 124.64 3b6s s ARG 45 Ca 0.17 2.33 -0.30 0.00 -0.13 0.00 0.00 55.73 57.79 3b6s s ARG 45 Cb -0.11 -3.28 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 3b6s s ARG 45 CO 0.08 -0.63 1.07 0.42 -0.81 0.00 0.00 175.30 175.43 3b6s s ILE 46 N 1.52 4.44 0.47 4.11 1.01 0.44 -4.87 121.20 128.31 3b6s s ILE 46 Ca 0.71 1.81 -0.15 0.00 0.00 0.00 0.00 60.65 63.02 3b6s s ILE 46 Cb -0.42 -4.16 -0.08 0.00 0.01 0.00 0.00 42.46 37.81 3b6s s ILE 46 CO 0.31 0.17 0.91 -1.61 0.00 0.00 0.00 174.94 174.72 3b6s s GLU 47 N 0.76 3.92 -1.31 2.79 2.02 -1.26 -4.29 118.70 121.33 3b6s s GLU 47 Ca 0.53 0.80 0.00 0.00 0.02 0.00 0.00 54.97 56.33 3b6s s GLU 47 Cb -0.25 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 31.75 3b6s s GLU 47 CO 0.29 -0.17 0.00 1.63 0.02 0.00 0.00 175.26 177.04 3b6s n LYS 48 N -1.39 -0.98 -1.89 1.61 5.02 -1.26 -4.97 118.16 114.31 3b6s n LYS 48 Ca 0.05 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 3b6s n LYS 48 Cb 0.54 -4.98 -0.02 0.00 -0.02 0.00 0.00 35.03 30.55 3b6s n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3b6s s VAL 49 N -2.56 2.36 0.20 -0.18 1.01 -1.26 -5.00 120.40 114.97 3b6s s VAL 49 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.33 3b6s s VAL 49 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3b6s s VAL 49 CO 0.00 0.05 0.26 -1.61 0.00 0.00 0.00 175.10 173.79 3b6s s GLU 50 N -0.28 3.22 0.03 2.72 2.02 -0.75 -4.93 118.70 120.74 3b6s s GLU 50 Ca 0.62 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.78 3b6s s GLU 50 Cb -0.45 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 30.97 3b6s s GLU 50 CO 0.44 0.47 0.06 -3.38 0.02 0.00 0.00 175.26 172.87 3b6s s HIS 51 N -1.88 0.24 1.02 1.61 -3.43 -1.26 -0.33 115.29 111.25 3b6s s HIS 51 Ca 0.33 -0.55 -0.12 0.00 -0.80 0.00 0.00 55.06 53.92 3b6s s HIS 51 Cb -0.10 -0.17 0.20 0.00 -1.43 0.00 0.00 32.58 31.08 3b6s s HIS 51 CO 0.27 -0.33 1.08 -1.54 -2.00 0.00 0.00 174.74 172.22 3b6s s SER 52 N -2.04 2.34 0.20 7.38 1.04 0.10 -4.99 113.70 117.73 3b6s s SER 52 Ca -0.06 1.39 -0.27 0.00 0.48 0.00 0.00 55.95 57.48 3b6s s SER 52 Cb -0.02 -2.08 -0.08 0.00 0.10 0.00 0.00 66.02 63.94 3b6s s SER 52 CO -0.04 -3.33 0.85 -1.81 0.98 0.00 0.00 173.24 169.89 3b6s s ASP 53 N -3.15 7.50 -0.04 7.02 1.01 -1.26 -4.77 116.67 122.98 3b6s s ASP 53 Ca 0.66 1.78 -0.36 0.00 0.71 0.00 0.00 52.55 55.34 3b6s s ASP 53 Cb -0.20 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.03 3b6s s ASP 53 CO 0.59 0.18 1.62 -0.11 0.21 0.00 0.00 175.17 177.67 3b6s n LEU 54 N 1.51 2.57 -4.22 1.23 7.94 -1.26 -4.95 117.00 119.82 3b6s n LEU 54 Ca -0.04 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.77 3b6s n LEU 54 Cb 0.48 -1.27 -0.08 0.00 0.53 0.00 0.00 43.42 43.08 3b6s n LEU 54 CO 0.48 -0.49 -0.11 -0.55 -1.11 0.00 0.00 177.39 175.61 3b6s s SER 55 N 2.22 1.06 0.07 1.96 0.15 -1.24 -5.06 113.70 112.87 3b6s s SER 55 Ca 0.89 -1.58 -0.08 0.00 0.70 0.00 0.00 55.95 55.88 3b6s s SER 55 Cb -0.87 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 3b6s s SER 55 CO 0.51 -1.03 0.16 0.72 1.20 0.00 0.00 173.24 174.80 3b6s s PHE 56 N -3.63 0.19 0.71 3.44 -0.12 -1.26 -1.77 117.98 115.53 3b6s s PHE 56 Ca 0.38 -0.60 -0.02 0.00 -0.05 0.00 0.00 56.93 56.64 3b6s s PHE 56 Cb 0.03 -0.10 0.15 0.00 -0.63 0.00 0.00 43.02 42.47 3b6s s PHE 56 CO 0.21 -0.50 0.97 0.43 -0.05 0.00 0.00 175.22 176.29 3b6s n SER 57 N 0.11 1.08 0.22 1.98 7.64 0.61 -4.92 113.62 120.33 3b6s n SER 57 Ca -0.16 -1.96 0.05 0.00 1.01 0.00 0.00 58.87 57.81 3b6s n SER 57 Cb 0.62 -0.65 0.48 0.00 -1.01 0.00 0.00 64.21 63.64 3b6s n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3b6s h LYS 58 N 0.00 0.00 -0.22 1.43 1.57 -2.03 -0.04 116.57 117.28 3b6s h LYS 58 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3b6s h LYS 58 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3b6s h LYS 58 CO 0.32 0.22 0.00 -0.40 -0.57 0.00 0.00 179.45 179.02 3b6s n ASP 59 N -4.27 1.17 0.00 0.86 5.68 -1.26 -4.89 116.55 113.84 3b6s n ASP 59 Ca -0.02 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3b6s n ASP 59 Cb 0.28 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 3b6s n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3b6s n TRP 60 N 0.14 0.00 -2.20 2.11 7.02 -0.03 -5.01 117.44 119.46 3b6s n TRP 60 Ca 0.08 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.19 3b6s n TRP 60 Cb 0.19 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.08 3b6s n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3b6s s SER 61 N -3.61 5.84 0.38 -0.99 1.04 -1.26 -4.59 113.70 110.51 3b6s s SER 61 Ca 0.00 2.29 -0.05 0.00 0.48 0.00 0.00 55.95 58.67 3b6s s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 3b6s s SER 61 CO 0.00 -1.14 0.66 -0.36 0.98 0.00 0.00 173.24 173.38 3b6s s PHE 62 N -1.62 3.51 -0.03 5.02 0.08 -0.49 -0.28 117.98 124.16 3b6s s PHE 62 Ca 0.69 0.70 -0.05 0.00 0.12 0.00 0.00 56.93 58.39 3b6s s PHE 62 Cb -0.28 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3b6s s PHE 62 CO 0.32 -0.03 0.13 1.52 -0.10 0.00 0.00 175.22 177.06 3b6s s TYR 63 N -2.39 -0.06 0.02 0.36 -0.85 -0.73 -1.41 117.35 112.29 3b6s s TYR 63 Ca 0.45 0.14 0.01 0.00 -0.52 0.00 0.00 57.07 57.15 3b6s s TYR 63 Cb -0.10 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.23 3b6s s TYR 63 CO 0.36 -0.15 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.69 3b6s s LEU 64 N -0.53 2.15 -0.18 -3.49 1.43 0.29 -3.59 118.68 114.77 3b6s s LEU 64 Ca -0.06 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 3b6s s LEU 64 Cb -0.04 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.14 3b6s s LEU 64 CO 0.01 -0.15 -0.06 -0.22 0.23 0.00 0.00 176.35 176.15 3b6s s LEU 65 N -0.92 2.98 -0.09 1.79 2.96 -1.26 -1.23 118.68 122.91 3b6s s LEU 65 Ca -0.08 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3b6s s LEU 65 Cb -0.06 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3b6s s LEU 65 CO -0.00 0.09 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.76 3b6s s TYR 66 N 0.84 3.02 -0.03 5.38 1.51 -0.01 -0.73 117.35 127.34 3b6s s TYR 66 Ca -0.02 0.02 -0.22 0.00 -1.01 0.00 0.00 57.07 55.84 3b6s s TYR 66 Cb -0.15 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 3b6s s TYR 66 CO 0.01 0.31 0.49 1.52 -1.11 0.00 0.00 175.55 176.77 3b6s s TYR 67 N -0.62 -0.41 0.02 2.71 1.13 0.55 -0.40 117.35 120.33 3b6s s TYR 67 Ca 0.10 0.68 -0.17 0.00 -1.41 0.00 0.00 57.07 56.27 3b6s s TYR 67 Cb -0.12 0.25 0.03 0.00 -1.10 0.00 0.00 41.96 41.02 3b6s s TYR 67 CO 0.02 -0.49 0.37 -0.08 -2.51 0.00 0.00 175.55 172.86 3b6s s THR 68 N -1.25 0.06 0.26 -3.49 -1.32 -0.75 -1.80 115.64 107.35 3b6s s THR 68 Ca -0.12 -0.49 -0.29 0.00 -1.21 0.00 0.00 61.69 59.57 3b6s s THR 68 Cb -0.03 -0.85 -0.09 0.00 -1.51 0.00 0.00 72.50 70.02 3b6s s THR 68 CO 0.07 -0.27 1.23 -1.61 -2.21 0.00 0.00 174.62 171.82 3b6s s GLU 69 N -2.07 4.47 0.08 7.08 2.02 -1.26 -0.30 118.70 128.72 3b6s s GLU 69 Ca -0.08 2.00 -0.14 0.00 0.02 0.00 0.00 54.97 56.77 3b6s s GLU 69 Cb -0.02 -3.16 0.02 0.00 0.10 0.00 0.00 34.13 31.07 3b6s s GLU 69 CO 0.00 -0.06 0.33 -0.59 0.02 0.00 0.00 175.26 174.95 3b6s s PHE 70 N -0.71 -0.10 -0.33 1.61 -0.71 -0.67 -4.84 117.98 112.23 3b6s s PHE 70 Ca 0.50 -0.14 0.03 0.00 -1.04 0.00 0.00 56.93 56.28 3b6s s PHE 70 Cb -0.36 0.13 0.10 0.00 -1.21 0.00 0.00 43.02 41.68 3b6s s PHE 70 CO 0.44 -0.59 0.05 0.99 -1.34 0.00 0.00 175.22 174.77 3b6s s THR 71 N -3.23 2.05 0.52 -4.49 2.01 -1.26 -0.05 115.64 111.19 3b6s s THR 71 Ca -0.00 -2.15 -0.22 0.00 0.31 0.00 0.00 61.69 59.63 3b6s s THR 71 Cb 0.01 -2.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.97 3b6s s THR 71 CO -0.08 -0.57 1.30 -2.16 -0.69 0.00 0.00 174.62 172.43 3b6s s PRO 72 N 1.03 3.32 0.39 4.92 0.04 -1.26 -4.78 135.00 138.66 3b6s s PRO 72 Ca 0.09 2.09 0.05 0.00 0.04 0.00 0.00 61.00 63.28 3b6s s PRO 72 Cb -0.19 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 3b6s s PRO 72 CO -0.10 -1.00 0.20 0.95 0.04 0.00 0.00 177.00 177.09 3b6s s THR 73 N -1.38 0.31 0.09 1.26 -4.23 -1.26 -1.04 115.64 109.38 3b6s s THR 73 Ca 0.69 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 3b6s s THR 73 Cb -0.37 -2.36 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 3b6s s THR 73 CO 0.44 0.00 1.52 -0.08 -0.54 0.00 0.00 174.62 175.95 3b6s h GLU 74 N 1.87 0.45 0.11 3.99 4.81 -1.97 -3.37 114.58 120.48 3b6s h GLU 74 Ca -0.30 -0.15 -0.33 0.00 -0.13 0.00 0.00 59.36 58.45 3b6s h GLU 74 Cb 1.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 3b6s h GLU 74 CO 0.47 0.63 -1.75 1.57 -0.73 0.00 0.00 179.01 179.20 3b6s h LYS 75 N 0.23 0.24 -6.63 1.92 2.10 -2.02 -3.47 116.57 108.93 3b6s h LYS 75 Ca 0.07 -0.41 -0.52 0.00 -2.00 0.00 0.00 60.65 57.79 3b6s h LYS 75 Cb 0.43 0.15 0.05 0.00 -0.90 0.00 0.00 32.23 31.97 3b6s h LYS 75 CO 0.01 1.08 0.97 -0.51 -2.00 0.00 0.00 179.45 179.01 3b6s s ASP 76 N -6.91 6.45 -0.18 7.07 1.01 -1.26 -4.98 116.67 117.87 3b6s s ASP 76 Ca -0.14 2.77 -0.08 0.00 0.71 0.00 0.00 52.55 55.82 3b6s s ASP 76 Cb 0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3b6s s ASP 76 CO 0.82 -0.92 0.09 -1.61 0.21 0.00 0.00 175.17 173.76 3b6s s GLU 77 N 1.25 3.96 0.13 8.23 2.02 -1.26 -4.74 118.70 128.29 3b6s s GLU 77 Ca 0.73 -0.29 0.11 0.00 0.02 0.00 0.00 54.97 55.54 3b6s s GLU 77 Cb -0.47 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 3b6s s GLU 77 CO 0.32 0.34 -0.26 0.71 0.02 0.00 0.00 175.26 176.39 3b6s s TYR 78 N 0.20 2.35 0.19 1.61 2.02 -1.26 0.46 117.35 122.92 3b6s s TYR 78 Ca 0.06 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.23 3b6s s TYR 78 Cb -0.12 -1.27 0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3b6s s TYR 78 CO -0.00 0.34 0.50 0.00 -1.57 0.00 0.00 175.55 174.82 3b6s s ALA 79 N -1.07 -0.85 -0.08 3.71 0.00 -0.79 -0.10 121.76 122.58 3b6s s ALA 79 Ca 0.15 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.86 3b6s s ALA 79 Cb -0.10 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3b6s s ALA 79 CO 0.07 -0.79 -0.23 0.00 0.00 0.00 0.00 175.76 174.80 3b6s s ARG 81 N 0.08 3.27 -0.10 0.00 3.52 0.39 -1.09 118.95 125.03 3b6s s ARG 81 Ca -0.11 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.84 3b6s s ARG 81 Cb -0.16 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3b6s s ARG 81 CO 0.06 -0.11 -0.23 0.08 -0.81 0.00 0.00 175.30 174.29 3b6s s VAL 82 N 1.18 1.99 -0.03 7.11 1.01 0.04 -0.49 120.40 131.21 3b6s s VAL 82 Ca 0.02 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3b6s s VAL 82 Cb -0.14 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3b6s s VAL 82 CO -0.04 0.54 -0.24 0.21 0.00 0.00 0.00 175.10 175.58 3b6s s ASN 83 N 0.39 3.22 0.03 3.32 2.47 0.08 -0.60 114.94 123.85 3b6s s ASN 83 Ca -0.18 -0.43 -0.21 0.00 0.42 0.00 0.00 52.86 52.46 3b6s s ASN 83 Cb -0.18 -0.48 0.05 0.00 -1.45 0.00 0.00 41.25 39.19 3b6s s ASN 83 CO 0.08 0.32 0.49 -2.28 -3.72 0.00 0.00 177.10 171.99 3b6s s HIS 84 N -0.58 -0.38 0.55 0.43 5.65 -1.26 -1.56 115.29 118.14 3b6s s HIS 84 Ca 0.09 0.44 0.25 0.00 0.25 0.00 0.00 55.06 56.09 3b6s s HIS 84 Cb -0.10 0.30 1.46 0.00 -1.18 0.00 0.00 32.58 33.05 3b6s s HIS 84 CO -0.00 -0.60 2.06 -0.24 -0.65 0.00 0.00 174.74 175.30 3b6s h VAL 85 N 2.94 0.69 0.00 0.89 3.04 -1.95 -0.41 116.25 121.44 3b6s h VAL 85 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3b6s h VAL 85 Cb 1.20 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3b6s h VAL 85 CO 0.42 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.33 3b6s n THR 86 N -4.20 0.36 -4.25 3.17 -2.24 -1.26 -4.76 114.28 101.10 3b6s n THR 86 Ca 0.04 0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.57 3b6s n THR 86 Cb 0.41 -0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 3b6s n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3b6s s LEU 87 N -2.91 3.40 0.43 3.22 1.43 -0.17 -4.99 118.68 119.10 3b6s s LEU 87 Ca 0.14 -0.08 0.24 0.00 -1.03 0.00 0.00 54.13 53.39 3b6s s LEU 87 Cb 0.15 -1.84 0.68 0.00 0.03 0.00 0.00 46.19 45.22 3b6s s LEU 87 CO 0.41 0.16 1.72 0.77 0.23 0.00 0.00 176.35 179.64 3b6s h SER 88 N 6.81 0.00 -5.06 2.29 4.64 -1.85 -3.44 113.55 116.93 3b6s h SER 88 Ca -0.33 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.89 3b6s h SER 88 Cb 1.18 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.10 3b6s h SER 88 CO 0.65 0.18 -0.31 0.00 -0.87 0.00 0.00 176.83 176.48 3b6s s GLN 89 N -3.40 0.77 0.37 4.77 -2.07 -1.26 -5.14 119.66 113.70 3b6s s GLN 89 Ca 0.03 -0.56 -0.28 0.00 -1.82 0.00 0.00 55.36 52.73 3b6s s GLN 89 Cb 0.08 0.33 -0.11 0.00 -1.09 0.00 0.00 33.01 32.21 3b6s s GLN 89 CO 0.65 -0.24 1.48 -2.30 -1.32 0.00 0.00 175.29 173.56 3b6s n PRO 90 N 0.60 2.66 -3.38 9.60 -0.02 -1.26 -4.93 135.00 138.26 3b6s n PRO 90 Ca -0.19 0.93 -0.38 0.00 -2.02 0.00 0.00 63.50 61.84 3b6s n PRO 90 Cb 0.59 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 3b6s n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3b6s s LYS 91 N -2.04 4.15 -0.24 -0.52 2.20 0.23 -4.89 119.74 118.63 3b6s s LYS 91 Ca 0.54 0.18 -0.07 0.00 -0.36 0.00 0.00 55.97 56.26 3b6s s LYS 91 Cb -0.48 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3b6s s LYS 91 CO 0.63 -0.08 0.06 0.42 -0.36 0.00 0.00 175.35 176.02 3b6s s ILE 92 N 1.44 4.26 -0.20 5.43 1.01 -1.26 -0.78 121.20 131.10 3b6s s ILE 92 Ca 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 3b6s s ILE 92 Cb -0.15 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3b6s s ILE 92 CO 0.08 0.35 -0.07 -0.69 0.00 0.00 0.00 174.94 174.61 3b6s s VAL 93 N 1.53 3.17 0.33 2.92 1.01 -0.25 -4.98 120.40 124.13 3b6s s VAL 93 Ca 0.06 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3b6s s VAL 93 Cb -0.15 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.72 3b6s s VAL 93 CO 0.03 0.45 1.01 -0.54 0.00 0.00 0.00 175.10 176.06 3b6s s LYS 94 N 1.27 4.51 -0.01 2.72 1.02 -1.26 -0.95 119.74 127.04 3b6s s LYS 94 Ca 0.03 1.51 -0.30 0.00 0.02 0.00 0.00 55.97 57.23 3b6s s LYS 94 Cb -0.14 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 3b6s s LYS 94 CO -0.03 0.17 1.21 -0.46 -0.92 0.00 0.00 175.35 175.32 3b6s s TRP 95 N -1.47 3.26 -0.17 3.18 -0.00 0.86 -4.87 118.94 119.73 3b6s s TRP 95 Ca 0.50 1.22 0.00 0.00 -0.00 0.00 0.00 56.10 57.83 3b6s s TRP 95 Cb -0.24 -3.43 0.03 0.00 -0.00 0.00 0.00 33.47 29.83 3b6s s TRP 95 CO 0.30 -1.37 -0.12 0.34 -0.00 0.00 0.00 176.95 176.10 3b6s s ASP 96 N 1.36 2.96 0.29 5.86 -1.08 -1.26 -4.73 116.67 120.07 3b6s s ASP 96 Ca 0.57 -0.65 0.21 0.00 -0.52 0.00 0.00 52.55 52.17 3b6s s ASP 96 Cb -0.27 -1.18 1.07 0.00 -1.46 0.00 0.00 42.92 41.09 3b6s s ASP 96 CO 0.25 -0.10 1.65 -2.11 0.52 0.00 0.00 175.17 175.38 3b6s n ARG 97 N 4.75 0.15 -0.27 4.34 1.85 -1.26 -1.10 116.66 125.12 3b6s n ARG 97 Ca -0.16 0.57 0.08 0.00 -1.00 0.00 0.00 57.85 57.35 3b6s n ARG 97 Cb 0.48 -1.91 0.23 0.00 -1.05 0.00 0.00 32.46 30.21 3b6s n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3b6s n ASP 98 N -2.22 2.83 0.00 2.89 8.00 -1.26 -4.81 116.55 121.98 3b6s n ASP 98 Ca -0.00 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3b6s n ASP 98 Cb 0.09 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3b6s n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04