#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ypz n ASP -1 N 0.00 1.95 -4.57 0.00 8.00 -1.26 -4.83 116.55 115.84 1ypz n ASP -1 Ca 0.00 0.35 -0.39 0.00 0.71 0.00 0.00 54.79 55.46 1ypz n ASP -1 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 1ypz n ASP -1 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1ypz s PRO 0 N -2.50 2.57 -0.70 -0.24 0.02 -1.26 -4.79 135.00 128.10 1ypz s PRO 0 Ca -0.37 1.61 -0.34 0.00 0.02 0.00 0.00 61.00 61.92 1ypz s PRO 0 Cb 0.13 -4.48 -0.17 0.00 0.02 0.00 0.00 34.50 30.00 1ypz s PRO 0 CO 0.50 -2.75 2.45 -0.89 -0.33 0.00 0.00 177.00 175.98 1ypz n ILE 1 N 7.85 0.02 -3.83 2.83 5.41 -1.26 -4.90 119.36 125.47 1ypz n ILE 1 Ca 0.33 -0.17 -0.28 0.00 1.00 0.00 0.00 62.75 63.62 1ypz n ILE 1 Cb 0.51 -1.06 -0.04 0.00 -0.71 0.00 0.00 39.64 38.34 1ypz n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ypz s GLN 2 N 7.76 3.49 -0.09 0.38 -0.21 -1.26 -4.84 119.66 124.88 1ypz s GLN 2 Ca 1.22 -0.42 -0.04 0.00 0.02 0.00 0.00 55.36 56.14 1ypz s GLN 2 Cb -1.07 -2.93 0.05 0.00 1.00 0.00 0.00 33.01 30.06 1ypz s GLN 2 CO 0.49 0.50 0.20 1.03 -2.12 0.00 0.00 175.29 175.39 1ypz s ARG 3 N -3.00 0.11 0.06 2.91 0.52 -1.26 -5.00 118.95 113.29 1ypz s ARG 3 Ca 0.37 0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 55.90 1ypz s ARG 3 Cb -0.12 -0.16 -0.06 0.00 0.52 0.00 0.00 34.95 35.13 1ypz s ARG 3 CO 0.28 -0.23 0.64 -0.08 0.02 0.00 0.00 175.30 175.93 1ypz s THR 4 N 1.76 4.73 0.45 0.02 -1.32 -1.26 -2.08 115.64 117.94 1ypz s THR 4 Ca -0.04 1.37 -0.25 0.00 -1.21 0.00 0.00 61.69 61.56 1ypz s THR 4 Cb -0.12 -3.98 -0.08 0.00 -1.51 0.00 0.00 72.50 66.81 1ypz s THR 4 CO -0.07 0.47 1.41 -2.16 -2.21 0.00 0.00 174.62 172.06 1ypz s PRO 5 N -0.64 3.71 -0.33 7.08 0.04 -1.26 -4.25 135.00 139.35 1ypz s PRO 5 Ca 0.32 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.64 1ypz s PRO 5 Cb -0.20 -2.66 -0.00 0.00 0.04 0.00 0.00 34.50 31.68 1ypz s PRO 5 CO 0.20 -0.78 0.18 0.15 0.04 0.00 0.00 177.00 176.79 1ypz s LYS 6 N -2.43 3.26 -0.09 4.56 1.02 0.54 -4.90 119.74 121.70 1ypz s LYS 6 Ca 0.61 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.79 1ypz s LYS 6 Cb -0.43 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 1ypz s LYS 6 CO 0.55 -0.48 0.03 0.42 -0.92 0.00 0.00 175.35 174.95 1ypz s ILE 7 N 1.62 4.52 -0.05 2.17 1.01 -1.26 -2.08 121.20 127.13 1ypz s ILE 7 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1ypz s ILE 7 Cb -0.18 -2.92 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1ypz s ILE 7 CO 0.07 0.60 0.10 -1.10 0.00 0.00 0.00 174.94 174.61 1ypz s GLN 8 N -0.94 0.06 -0.08 2.79 -0.21 -1.23 -5.02 119.66 115.04 1ypz s GLN 8 Ca 0.14 0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.83 1ypz s GLN 8 Cb -0.11 -0.14 -0.01 0.00 1.00 0.00 0.00 33.01 33.74 1ypz s GLN 8 CO 0.03 -0.13 -0.21 0.08 -2.12 0.00 0.00 175.29 172.94 1ypz s VAL 9 N 0.87 2.41 0.01 1.09 1.01 -1.26 -0.83 120.40 123.70 1ypz s VAL 9 Ca -0.07 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.70 1ypz s VAL 9 Cb -0.09 -1.92 0.10 0.00 0.00 0.00 0.00 36.38 34.47 1ypz s VAL 9 CO -0.04 0.56 0.95 -0.72 0.00 0.00 0.00 175.10 175.85 1ypz s TYR 10 N -0.08 -0.27 0.27 5.22 -0.85 0.22 -4.72 117.35 117.13 1ypz s TYR 10 Ca -0.05 0.11 -0.24 0.00 -0.52 0.00 0.00 57.07 56.38 1ypz s TYR 10 Cb -0.14 0.56 -0.09 0.00 0.38 0.00 0.00 41.96 42.66 1ypz s TYR 10 CO 0.04 -0.56 0.84 -1.54 -1.52 0.00 0.00 175.55 172.82 1ypz s SER 11 N -2.57 7.24 0.28 -0.18 1.04 -1.26 -1.18 113.70 117.07 1ypz s SER 11 Ca 0.07 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1ypz s SER 11 Cb -0.01 -2.51 0.39 0.00 0.10 0.00 0.00 66.02 63.99 1ypz s SER 11 CO -0.06 0.00 1.76 -0.09 0.98 0.00 0.00 173.24 175.83 1ypz h ARG 12 N 3.40 0.66 -5.00 4.02 2.43 -1.93 -3.45 114.38 114.51 1ypz h ARG 12 Ca -0.47 -0.19 -0.45 0.00 -0.81 0.00 0.00 59.98 58.05 1ypz h ARG 12 Cb 1.19 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.54 1ypz h ARG 12 CO 0.65 0.74 -0.57 -1.01 -1.51 0.00 0.00 179.97 178.27 1ypz s HIS 13 N -4.82 1.72 -0.15 2.20 3.76 -1.26 -5.07 115.29 111.66 1ypz s HIS 13 Ca -0.08 -1.23 -0.34 0.00 -0.15 0.00 0.00 55.06 53.25 1ypz s HIS 13 Cb 0.14 -1.04 -0.12 0.00 1.11 0.00 0.00 32.58 32.68 1ypz s HIS 13 CO 0.80 -0.32 1.94 -2.30 -0.85 0.00 0.00 174.74 174.01 1ypz n PRO 14 N -0.67 1.93 -1.85 8.40 -0.02 -1.26 -4.86 135.00 136.67 1ypz n PRO 14 Ca -0.02 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 1ypz n PRO 14 Cb 0.65 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1ypz n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ypz s ALA 15 N 4.77 2.55 -0.64 3.55 0.00 -1.26 -4.90 121.76 125.83 1ypz s ALA 15 Ca 0.96 0.22 0.06 0.00 0.00 0.00 0.00 51.96 53.20 1ypz s ALA 15 Cb -0.73 -4.12 0.26 0.00 0.00 0.00 0.00 23.12 18.53 1ypz s ALA 15 CO 0.52 -3.12 0.77 -0.85 0.00 0.00 0.00 175.76 173.08 1ypz n GLU 16 N 8.71 2.62 -0.48 0.00 0.28 -1.26 -5.08 120.64 125.43 1ypz n GLU 16 Ca 0.26 -4.70 -0.18 0.00 -0.16 0.00 0.00 57.16 52.38 1ypz n GLU 16 Cb 0.48 -2.26 -0.02 0.00 1.43 0.00 0.00 31.44 31.07 1ypz n GLU 16 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ypz n ASN 17 N 0.73 -0.14 0.00 -1.84 2.04 -1.26 -3.57 115.26 111.22 1ypz n ASN 17 Ca 0.30 0.38 0.00 0.00 -0.44 0.00 0.00 54.58 54.82 1ypz n ASN 17 Cb 0.41 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1ypz n ASN 17 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ypz n GLY 18 N 0.54 3.56 3.76 4.83 0.00 0.56 -4.85 105.19 113.59 1ypz n GLY 18 Ca 0.06 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 1ypz n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ypz s LYS 19 N 0.00 2.40 0.75 1.61 -0.14 -1.23 -4.80 119.74 118.32 1ypz s LYS 19 Ca 0.00 -1.57 -0.14 0.00 -1.36 0.00 0.00 55.97 52.90 1ypz s LYS 19 Cb 0.00 -2.19 0.05 0.00 -1.68 0.00 0.00 37.83 34.01 1ypz s LYS 19 CO 0.00 0.05 1.19 -1.12 -0.76 0.00 0.00 175.35 174.71 1ypz s SER 20 N -3.89 4.14 -0.06 2.83 0.01 -1.26 -3.67 113.70 111.80 1ypz s SER 20 Ca 0.39 2.29 -0.30 0.00 1.31 0.00 0.00 55.95 59.65 1ypz s SER 20 Cb -0.02 -2.58 0.10 0.00 0.21 0.00 0.00 66.02 63.73 1ypz s SER 20 CO 0.23 -2.29 1.33 0.20 0.41 0.00 0.00 173.24 173.12 1ypz s ASN 21 N -2.20 0.00 0.00 2.44 0.01 -1.06 -4.97 114.94 109.17 1ypz s ASN 21 Ca 0.72 -0.10 0.05 0.00 -0.71 0.00 0.00 52.86 52.83 1ypz s ASN 21 Cb -0.27 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.43 1ypz s ASN 21 CO 0.47 -0.14 -0.15 -0.36 -1.51 0.00 0.00 177.10 175.40 1ypz s PHE 22 N -2.01 2.64 -0.34 2.20 0.40 -1.25 -1.89 117.98 117.74 1ypz s PHE 22 Ca 0.31 -0.20 -0.19 0.00 -0.60 0.00 0.00 56.93 56.26 1ypz s PHE 22 Cb -0.00 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1ypz s PHE 22 CO -0.02 0.23 0.56 -1.17 0.70 0.00 0.00 175.22 175.52 1ypz s LEU 23 N -1.14 4.26 -0.08 -0.37 2.96 -0.69 -2.85 118.68 120.77 1ypz s LEU 23 Ca 0.14 0.13 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1ypz s LEU 23 Cb -0.11 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1ypz s LEU 23 CO 0.04 -0.49 -0.13 0.20 -1.32 0.00 0.00 176.35 174.64 1ypz s ASN 24 N 1.73 4.06 -0.28 3.68 0.02 -0.32 -1.59 114.94 122.24 1ypz s ASN 24 Ca 0.21 -0.23 -0.01 0.00 -1.02 0.00 0.00 52.86 51.82 1ypz s ASN 24 Cb -0.15 -1.11 0.09 0.00 0.02 0.00 0.00 41.25 40.10 1ypz s ASN 24 CO 0.13 0.29 0.06 0.00 0.02 0.00 0.00 177.10 177.60 1ypz s TYR 26 N 1.58 3.36 -0.09 0.00 5.04 -0.01 -1.35 117.35 125.88 1ypz s TYR 26 Ca 0.06 -1.57 -0.17 0.00 -2.44 0.00 0.00 57.07 52.95 1ypz s TYR 26 Cb -0.18 -3.70 -0.05 0.00 0.35 0.00 0.00 41.96 38.38 1ypz s TYR 26 CO -0.19 -1.01 0.46 0.08 -1.34 0.00 0.00 175.55 173.56 1ypz s VAL 27 N 1.33 5.14 0.25 3.14 1.01 0.19 -3.50 120.40 127.96 1ypz s VAL 27 Ca 0.06 0.92 -0.19 0.00 0.00 0.00 0.00 61.98 62.77 1ypz s VAL 27 Cb -0.26 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1ypz s VAL 27 CO 0.00 0.39 0.64 -0.94 0.00 0.00 0.00 175.10 175.19 1ypz s SER 28 N 0.19 -0.27 0.00 3.32 1.04 -0.89 0.18 113.70 117.28 1ypz s SER 28 Ca 0.25 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1ypz s SER 28 Cb -0.16 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ypz s SER 28 CO 0.11 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1ypz n GLY 29 N -0.42 1.95 3.96 7.32 0.00 -0.37 -0.34 105.19 117.30 1ypz n GLY 29 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1ypz n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ypz s PHE 30 N -3.00 3.11 0.00 1.61 -0.12 -1.21 -4.54 117.98 113.82 1ypz s PHE 30 Ca 0.00 0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.98 1ypz s PHE 30 Cb 0.00 -2.39 0.00 0.00 -0.63 0.00 0.00 43.02 40.00 1ypz s PHE 30 CO 0.00 -0.45 0.00 1.58 -0.05 0.00 0.00 175.22 176.30 1ypz n HIS 31 N -2.09 0.00 -0.60 3.49 -0.00 -0.88 0.92 115.22 116.05 1ypz n HIS 31 Ca 0.03 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.60 1ypz n HIS 31 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.50 1ypz n HIS 31 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1ypz n PRO 32 N -0.88 0.00 0.00 1.57 -0.02 -1.26 -4.67 135.00 129.73 1ypz n PRO 32 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ypz n PRO 32 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.93 1ypz n PRO 32 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1ypz n SER 33 N 3.72 0.00 -4.46 2.55 3.41 -1.26 -4.55 113.62 113.02 1ypz n SER 33 Ca 0.27 0.00 -0.60 0.00 -0.26 0.00 0.00 58.87 58.28 1ypz n SER 33 Cb 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 1ypz n SER 33 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ypz n ASP 34 N -0.30 0.37 -3.73 4.04 2.03 -1.26 -4.95 116.55 112.76 1ypz n ASP 34 Ca 0.00 1.14 -0.12 0.00 0.52 0.00 0.00 54.79 56.33 1ypz n ASP 34 Cb 0.00 -0.88 -0.11 0.00 -0.72 0.00 0.00 41.12 39.41 1ypz n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ypz s ILE 35 N 0.94 -0.02 -0.56 5.18 2.07 -1.26 -4.60 121.20 122.94 1ypz s ILE 35 Ca 0.93 0.06 -0.13 0.00 -1.41 0.00 0.00 60.65 60.10 1ypz s ILE 35 Cb -1.31 -0.52 0.14 0.00 0.13 0.00 0.00 42.46 40.91 1ypz s ILE 35 CO 0.63 0.03 0.49 -1.61 -1.91 0.00 0.00 174.94 172.57 1ypz s GLU 36 N 0.84 2.90 -0.22 3.50 8.01 -0.13 -5.02 118.70 128.59 1ypz s GLU 36 Ca -0.05 -1.87 -0.03 0.00 0.01 0.00 0.00 54.97 53.03 1ypz s GLU 36 Cb -0.06 -4.18 0.00 0.00 -4.31 0.00 0.00 34.13 25.58 1ypz s GLU 36 CO -0.06 -1.28 -0.06 0.08 0.01 0.00 0.00 175.26 173.95 1ypz s VAL 37 N 1.25 3.12 0.15 2.63 1.01 -1.26 -2.08 120.40 125.22 1ypz s VAL 37 Ca 0.07 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1ypz s VAL 37 Cb -0.26 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1ypz s VAL 37 CO -0.00 0.39 -0.12 -1.81 0.00 0.00 0.00 175.10 173.56 1ypz s ASP 38 N 1.43 1.99 0.32 3.32 1.01 0.64 -5.00 116.67 120.38 1ypz s ASP 38 Ca 0.05 -0.96 0.02 0.00 0.71 0.00 0.00 52.55 52.37 1ypz s ASP 38 Cb -0.15 -0.05 -0.03 0.00 1.01 0.00 0.00 42.92 43.70 1ypz s ASP 38 CO -0.05 -0.25 0.50 -0.76 0.21 0.00 0.00 175.17 174.83 1ypz s LEU 39 N -3.00 4.08 0.04 1.23 1.43 -1.26 0.07 118.68 121.27 1ypz s LEU 39 Ca 0.16 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1ypz s LEU 39 Cb -0.00 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1ypz s LEU 39 CO 0.02 -0.24 -0.04 -0.76 0.23 0.00 0.00 176.35 175.56 1ypz s LEU 40 N -4.24 2.33 -0.09 1.79 1.43 -1.13 -2.19 118.68 116.58 1ypz s LEU 40 Ca 0.39 -0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1ypz s LEU 40 Cb -0.09 0.05 0.05 0.00 0.03 0.00 0.00 46.19 46.22 1ypz s LEU 40 CO 0.34 -0.37 0.12 -0.75 0.23 0.00 0.00 176.35 175.93 1ypz s LYS 41 N -2.35 0.01 -0.14 1.70 2.20 -0.62 -4.00 119.74 116.54 1ypz s LYS 41 Ca -0.06 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1ypz s LYS 41 Cb -0.04 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.68 1ypz s LYS 41 CO -0.03 -0.38 0.00 0.09 -0.36 0.00 0.00 175.35 174.66 1ypz n ASN 42 N 5.31 -2.99 0.00 1.43 3.02 -0.57 -0.71 115.26 120.76 1ypz n ASN 42 Ca -0.04 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1ypz n ASN 42 Cb 0.50 -2.09 0.00 0.00 -0.61 0.00 0.00 39.78 37.57 1ypz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ypz n GLY 43 N 0.42 1.36 4.03 7.41 0.00 -1.26 -5.04 105.19 112.09 1ypz n GLY 43 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 1ypz n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ypz s GLU 44 N 0.00 2.07 -0.77 1.61 2.02 0.11 -5.05 118.70 118.69 1ypz s GLU 44 Ca 0.00 -1.53 -0.20 0.00 0.02 0.00 0.00 54.97 53.26 1ypz s GLU 44 Cb 0.00 -2.55 0.11 0.00 0.10 0.00 0.00 34.13 31.79 1ypz s GLU 44 CO 0.00 -1.08 0.97 0.50 0.02 0.00 0.00 175.26 175.67 1ypz s ARG 45 N -4.83 3.33 0.77 1.61 3.52 -1.26 -1.59 118.95 120.51 1ypz s ARG 45 Ca 0.64 -1.43 -0.15 0.00 -0.13 0.00 0.00 55.73 54.66 1ypz s ARG 45 Cb -0.05 -4.54 0.04 0.00 -1.56 0.00 0.00 34.95 28.83 1ypz s ARG 45 CO 0.41 -1.71 1.03 -0.89 -0.81 0.00 0.00 175.30 173.33 1ypz n ILE 46 N 5.55 2.32 -3.77 4.11 5.41 -0.93 -4.98 119.36 127.08 1ypz n ILE 46 Ca 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1ypz n ILE 46 Cb 0.46 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 1ypz n ILE 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ypz n GLU 47 N -2.44 1.49 -4.09 0.38 -0.58 -1.26 -4.48 120.64 109.67 1ypz n GLU 47 Ca 0.13 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.56 1ypz n GLU 47 Cb 0.50 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.35 1ypz n GLU 47 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1ypz n LYS 48 N 0.00 -3.35 -3.67 3.49 2.85 -1.26 -4.96 118.16 111.26 1ypz n LYS 48 Ca 0.00 0.40 -0.38 0.00 -1.05 0.00 0.00 58.31 57.28 1ypz n LYS 48 Cb 0.00 -4.85 -0.12 0.00 -0.65 0.00 0.00 35.03 29.42 1ypz n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ypz s VAL 49 N -3.61 4.71 0.35 0.58 1.01 -1.26 -4.91 120.40 117.27 1ypz s VAL 49 Ca 0.40 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.07 1ypz s VAL 49 Cb -0.22 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1ypz s VAL 49 CO 0.91 0.22 0.79 -1.61 0.00 0.00 0.00 175.10 175.40 1ypz s GLU 50 N 1.66 4.05 0.42 2.72 2.02 -1.25 -4.93 118.70 123.39 1ypz s GLU 50 Ca 0.06 0.77 0.06 0.00 0.02 0.00 0.00 54.97 55.88 1ypz s GLU 50 Cb -0.16 -2.37 -0.07 0.00 0.10 0.00 0.00 34.13 31.63 1ypz s GLU 50 CO 0.07 0.11 0.01 -3.38 0.02 0.00 0.00 175.26 172.09 1ypz s HIS 51 N -2.04 2.37 0.76 1.61 -3.43 -1.26 -3.32 115.29 109.98 1ypz s HIS 51 Ca 0.56 -0.74 -0.09 0.00 -0.80 0.00 0.00 55.06 53.99 1ypz s HIS 51 Cb -0.10 -1.71 0.09 0.00 -1.43 0.00 0.00 32.58 29.42 1ypz s HIS 51 CO 0.17 0.38 1.09 -1.54 -2.00 0.00 0.00 174.74 172.83 1ypz s SER 52 N -3.72 4.50 -1.03 7.38 1.04 -0.37 -4.98 113.70 116.53 1ypz s SER 52 Ca 0.30 0.45 -0.23 0.00 0.48 0.00 0.00 55.95 56.95 1ypz s SER 52 Cb 0.08 -0.97 0.01 0.00 0.10 0.00 0.00 66.02 65.24 1ypz s SER 52 CO 0.15 -1.83 1.70 -1.81 0.98 0.00 0.00 173.24 172.43 1ypz s ASP 53 N -4.59 5.94 -0.61 7.02 1.01 -1.26 -4.81 116.67 119.37 1ypz s ASP 53 Ca 0.63 -1.31 -0.29 0.00 0.71 0.00 0.00 52.55 52.28 1ypz s ASP 53 Cb -0.10 -2.57 -0.16 0.00 1.01 0.00 0.00 42.92 41.10 1ypz s ASP 53 CO 0.47 -2.03 1.92 -0.11 0.21 0.00 0.00 175.17 175.63 1ypz n LEU 54 N 11.06 0.39 -4.54 1.23 7.94 -1.26 -4.92 117.00 126.90 1ypz n LEU 54 Ca 0.38 0.31 -0.26 0.00 -1.11 0.00 0.00 56.01 55.34 1ypz n LEU 54 Cb 0.49 -0.71 -0.08 0.00 0.53 0.00 0.00 43.42 43.64 1ypz n LEU 54 CO 0.65 -0.58 -0.20 -0.55 -1.11 0.00 0.00 177.39 175.60 1ypz s SER 55 N 6.02 2.91 0.21 1.96 0.15 -1.25 -5.03 113.70 118.67 1ypz s SER 55 Ca 1.01 -1.66 0.01 0.00 0.70 0.00 0.00 55.95 56.01 1ypz s SER 55 Cb -1.07 0.48 -0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1ypz s SER 55 CO 0.44 -0.91 0.08 0.72 1.20 0.00 0.00 173.24 174.77 1ypz s PHE 56 N -3.18 1.31 0.53 3.44 -0.12 -1.26 -2.19 117.98 116.52 1ypz s PHE 56 Ca 0.23 -1.19 0.03 0.00 -0.05 0.00 0.00 56.93 55.94 1ypz s PHE 56 Cb 0.03 -0.74 0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1ypz s PHE 56 CO 0.13 -0.39 0.74 -1.12 -0.05 0.00 0.00 175.22 174.54 1ypz s SER 57 N -3.22 5.33 0.56 1.98 0.01 0.14 -4.90 113.70 113.59 1ypz s SER 57 Ca 0.33 -0.10 0.28 0.00 1.31 0.00 0.00 55.95 57.77 1ypz s SER 57 Cb 0.07 -0.82 1.48 0.00 0.21 0.00 0.00 66.02 66.96 1ypz s SER 57 CO 0.10 -1.08 1.97 0.07 0.41 0.00 0.00 173.24 174.70 1ypz h LYS 58 N 0.17 0.00 -0.87 12.44 2.10 -2.02 0.17 116.57 128.55 1ypz h LYS 58 Ca -0.42 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.21 1ypz h LYS 58 Cb 1.29 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.61 1ypz h LYS 58 CO 0.51 0.00 0.03 -0.40 -2.00 0.00 0.00 179.45 177.58 1ypz n ASP 59 N -4.05 2.76 -1.89 7.07 5.68 -1.26 -4.82 116.55 120.03 1ypz n ASP 59 Ca 0.09 -2.36 -0.20 0.00 -0.50 0.00 0.00 54.79 51.82 1ypz n ASP 59 Cb 0.62 -0.57 -0.06 0.00 -1.14 0.00 0.00 41.12 39.97 1ypz n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1ypz n TRP 60 N 0.19 -0.43 -2.81 2.11 7.02 0.59 -4.96 117.44 119.14 1ypz n TRP 60 Ca 0.11 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.29 1ypz n TRP 60 Cb 0.63 -3.55 -0.03 0.00 -2.42 0.00 0.00 31.31 25.93 1ypz n TRP 60 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1ypz s SER 61 N -2.45 6.54 -0.04 -0.99 0.15 -1.24 -4.81 113.70 110.87 1ypz s SER 61 Ca 0.00 1.19 -0.03 0.00 0.70 0.00 0.00 55.95 57.81 1ypz s SER 61 Cb 0.00 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 1ypz s SER 61 CO 0.00 -0.41 0.12 -0.36 1.20 0.00 0.00 173.24 173.79 1ypz s PHE 62 N -2.39 3.43 -0.03 3.44 0.40 0.26 -0.69 117.98 122.42 1ypz s PHE 62 Ca 0.52 0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 57.18 1ypz s PHE 62 Cb -0.10 -1.82 0.03 0.00 0.51 0.00 0.00 43.02 41.64 1ypz s PHE 62 CO 0.31 0.62 0.03 1.52 0.70 0.00 0.00 175.22 178.40 1ypz s TYR 63 N -1.17 0.08 0.02 0.36 -0.85 -0.93 -1.24 117.35 113.62 1ypz s TYR 63 Ca 0.22 0.15 0.05 0.00 -0.52 0.00 0.00 57.07 56.97 1ypz s TYR 63 Cb -0.12 -0.33 -0.02 0.00 0.38 0.00 0.00 41.96 41.86 1ypz s TYR 63 CO 0.12 -0.13 -0.16 -0.51 -1.52 0.00 0.00 175.55 173.36 1ypz s LEU 64 N 1.40 2.13 -0.08 -3.49 1.43 0.47 -3.89 118.68 116.65 1ypz s LEU 64 Ca -0.05 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1ypz s LEU 64 Cb -0.13 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1ypz s LEU 64 CO -0.03 0.11 -0.19 -0.22 0.23 0.00 0.00 176.35 176.25 1ypz s LEU 65 N -0.91 1.92 0.14 1.79 2.96 -1.26 0.55 118.68 123.87 1ypz s LEU 65 Ca 0.04 -0.44 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1ypz s LEU 65 Cb -0.07 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 1ypz s LEU 65 CO 0.01 0.13 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.77 1ypz s TYR 66 N 0.35 2.71 -0.17 5.38 1.51 -0.45 -1.24 117.35 125.44 1ypz s TYR 66 Ca -0.14 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 1ypz s TYR 66 Cb -0.16 -1.37 0.11 0.00 -0.11 0.00 0.00 41.96 40.43 1ypz s TYR 66 CO 0.06 0.47 0.90 1.52 -1.11 0.00 0.00 175.55 177.39 1ypz s TYR 67 N -1.47 -0.50 0.24 2.71 1.13 -1.21 -1.75 117.35 116.50 1ypz s TYR 67 Ca 0.23 0.97 0.01 0.00 -1.41 0.00 0.00 57.07 56.87 1ypz s TYR 67 Cb -0.10 0.41 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 1ypz s TYR 67 CO 0.15 -0.39 0.13 -0.08 -2.51 0.00 0.00 175.55 172.85 1ypz s THR 68 N -0.73 0.19 -0.66 -3.49 -1.32 -0.62 -3.78 115.64 105.23 1ypz s THR 68 Ca -0.03 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.33 1ypz s THR 68 Cb -0.02 -2.54 0.17 0.00 -1.51 0.00 0.00 72.50 68.60 1ypz s THR 68 CO 0.02 0.00 0.58 -1.61 -2.21 0.00 0.00 174.62 171.40 1ypz s GLU 69 N -4.04 3.12 0.31 7.08 8.01 -1.26 -1.71 118.70 130.20 1ypz s GLU 69 Ca 0.38 -2.13 0.08 0.00 0.01 0.00 0.00 54.97 53.31 1ypz s GLU 69 Cb 0.07 -4.23 -0.06 0.00 -4.31 0.00 0.00 34.13 25.60 1ypz s GLU 69 CO 0.14 -1.27 -0.08 -0.59 0.01 0.00 0.00 175.26 173.47 1ypz s PHE 70 N 0.76 2.16 -0.35 1.61 -0.71 -0.79 -4.99 117.98 115.67 1ypz s PHE 70 Ca 0.11 -0.60 -0.08 0.00 -1.04 0.00 0.00 56.93 55.32 1ypz s PHE 70 Cb -0.20 -1.23 0.03 0.00 -1.21 0.00 0.00 43.02 40.42 1ypz s PHE 70 CO -0.03 0.43 0.14 0.99 -1.34 0.00 0.00 175.22 175.41 1ypz s THR 71 N -2.82 4.11 0.29 -4.49 2.01 -1.26 -2.55 115.64 110.93 1ypz s THR 71 Ca 0.31 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1ypz s THR 71 Cb 0.03 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1ypz s THR 71 CO 0.14 -0.18 1.43 -2.84 -0.69 0.00 0.00 174.62 172.48 1ypz s PRO 72 N 1.47 4.25 0.01 4.92 0.02 -1.24 -4.82 135.00 139.61 1ypz s PRO 72 Ca 0.00 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 1ypz s PRO 72 Cb -0.19 -3.07 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 1ypz s PRO 72 CO 0.04 -0.40 0.02 0.99 -0.33 0.00 0.00 177.00 177.32 1ypz s THR 73 N -0.45 0.09 -1.53 0.99 2.01 -1.26 0.21 115.64 115.70 1ypz s THR 73 Ca 0.56 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.85 1ypz s THR 73 Cb -0.43 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 71.82 1ypz s THR 73 CO 0.49 -0.39 0.61 1.21 -0.69 0.00 0.00 174.62 175.85 1ypz n GLU 74 N 1.82 0.80 0.00 4.92 2.13 -1.26 -3.34 120.64 125.71 1ypz n GLU 74 Ca -0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.60 1ypz n GLU 74 Cb 0.56 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 31.08 1ypz n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ypz n LYS 75 N -0.22 -0.17 -3.32 5.31 4.76 -1.26 -4.98 118.16 118.29 1ypz n LYS 75 Ca 0.00 -0.14 -0.46 0.00 -2.87 0.00 0.00 58.31 54.83 1ypz n LYS 75 Cb 0.10 -0.62 -0.01 0.00 -1.84 0.00 0.00 35.03 32.65 1ypz n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ypz s ASP 76 N -0.02 6.92 0.37 4.39 1.01 -1.21 -5.05 116.67 123.09 1ypz s ASP 76 Ca 0.00 -2.94 -0.27 0.00 0.71 0.00 0.00 52.55 50.05 1ypz s ASP 76 Cb 0.00 -2.22 -0.12 0.00 1.01 0.00 0.00 42.92 41.60 1ypz s ASP 76 CO 0.00 -0.50 1.23 1.21 0.21 0.00 0.00 175.17 177.32 1ypz n GLU 77 N 3.68 1.94 -4.22 8.23 2.13 -1.26 -4.80 120.64 126.32 1ypz n GLU 77 Ca 0.17 0.68 -0.13 0.00 0.66 0.00 0.00 57.16 58.55 1ypz n GLU 77 Cb 0.45 -2.28 -0.10 0.00 0.27 0.00 0.00 31.44 29.78 1ypz n GLU 77 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1ypz s TYR 78 N -1.14 1.14 -0.10 4.31 2.02 -1.26 -1.51 117.35 120.80 1ypz s TYR 78 Ca 0.58 -0.95 -0.30 0.00 -0.37 0.00 0.00 57.07 56.02 1ypz s TYR 78 Cb -0.56 -0.64 0.12 0.00 -0.40 0.00 0.00 41.96 40.48 1ypz s TYR 78 CO 0.60 -0.15 0.98 0.00 -1.57 0.00 0.00 175.55 175.41 1ypz s ALA 79 N -3.60 -1.91 -0.06 3.71 0.00 -1.25 0.20 121.76 118.85 1ypz s ALA 79 Ca 0.20 1.37 -0.12 0.00 0.00 0.00 0.00 51.96 53.40 1ypz s ALA 79 Cb 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1ypz s ALA 79 CO 0.01 -0.49 0.31 0.00 0.00 0.00 0.00 175.76 175.59 1ypz s ARG 81 N -0.79 3.13 -0.05 0.00 3.52 0.11 0.19 118.95 125.06 1ypz s ARG 81 Ca 0.20 -0.90 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1ypz s ARG 81 Cb -0.15 -3.87 0.03 0.00 -1.56 0.00 0.00 34.95 29.40 1ypz s ARG 81 CO 0.09 -0.63 0.01 0.08 -0.81 0.00 0.00 175.30 174.04 1ypz s VAL 82 N 1.67 0.26 -0.03 7.11 1.01 0.71 -0.26 120.40 130.87 1ypz s VAL 82 Ca 0.05 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1ypz s VAL 82 Cb -0.18 -0.41 0.03 0.00 0.00 0.00 0.00 36.38 35.82 1ypz s VAL 82 CO 0.10 0.22 0.07 0.21 0.00 0.00 0.00 175.10 175.69 1ypz s ASN 83 N 1.71 -0.00 0.26 3.32 2.47 -0.89 0.26 114.94 122.08 1ypz s ASN 83 Ca 0.00 0.13 -0.17 0.00 0.42 0.00 0.00 52.86 53.24 1ypz s ASN 83 Cb -0.13 0.03 0.01 0.00 -1.45 0.00 0.00 41.25 39.72 1ypz s ASN 83 CO -0.04 -0.11 0.61 -2.28 -3.72 0.00 0.00 177.10 171.56 1ypz s HIS 84 N 0.92 0.06 0.00 0.43 5.65 -1.26 -0.95 115.29 120.13 1ypz s HIS 84 Ca -0.07 -0.47 0.00 0.00 0.25 0.00 0.00 55.06 54.76 1ypz s HIS 84 Cb -0.10 0.47 0.00 0.00 -1.18 0.00 0.00 32.58 31.77 1ypz s HIS 84 CO -0.03 -1.12 0.76 0.28 -0.65 0.00 0.00 174.74 173.98 1ypz n VAL 85 N -0.42 0.00 -3.51 0.89 0.31 -1.26 -4.73 118.33 109.60 1ypz n VAL 85 Ca -0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ypz n VAL 85 Cb 0.60 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.53 1ypz n VAL 85 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1ypz n THR 86 N 3.69 0.00 0.00 2.52 -1.04 -1.26 -4.93 114.28 113.26 1ypz n THR 86 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1ypz n THR 86 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 1ypz n THR 86 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ypz n LEU 87 N 0.00 0.18 0.00 -4.42 4.77 -1.26 -5.02 117.00 111.24 1ypz n LEU 87 Ca 0.00 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 1ypz n LEU 87 Cb 0.00 -0.37 0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1ypz n LEU 87 CO 0.00 -0.37 0.17 -1.54 -1.33 0.00 0.00 177.39 174.31 1ypz n SER 88 N -2.10 -2.81 -4.79 -1.43 3.41 -1.26 -5.01 113.62 99.63 1ypz n SER 88 Ca 0.00 -0.44 -0.29 0.00 -0.26 0.00 0.00 58.87 57.88 1ypz n SER 88 Cb 0.00 -0.44 0.12 0.00 -0.26 0.00 0.00 64.21 63.62 1ypz n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ypz s GLN 89 N -3.94 1.54 0.97 4.33 -0.21 -1.26 -4.99 119.66 116.10 1ypz s GLN 89 Ca 0.30 0.46 -0.20 0.00 0.02 0.00 0.00 55.36 55.94 1ypz s GLN 89 Cb -0.05 -1.87 -0.16 0.00 1.00 0.00 0.00 33.01 31.93 1ypz s GLN 89 CO 0.25 -1.96 -1.03 -2.30 -2.12 0.00 0.00 175.29 168.13 1ypz n PRO 90 N -3.63 0.00 -4.74 2.91 -0.02 -1.26 -4.96 135.00 123.29 1ypz n PRO 90 Ca 0.07 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.23 1ypz n PRO 90 Cb 0.58 -0.97 -0.17 0.00 -0.02 0.00 0.00 33.50 32.92 1ypz n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ypz s LYS 91 N -1.94 2.86 -0.12 -0.52 2.20 0.73 -4.94 119.74 118.01 1ypz s LYS 91 Ca 0.38 -0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1ypz s LYS 91 Cb -0.08 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 1ypz s LYS 91 CO 0.75 0.02 -0.03 0.42 -0.36 0.00 0.00 175.35 176.14 1ypz s ILE 92 N 0.75 3.97 -0.28 5.43 1.01 -1.23 0.26 121.20 131.10 1ypz s ILE 92 Ca -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 1ypz s ILE 92 Cb -0.16 -2.70 0.05 0.00 0.01 0.00 0.00 42.46 39.66 1ypz s ILE 92 CO 0.00 0.54 -0.05 -0.69 0.00 0.00 0.00 174.94 174.74 1ypz s VAL 93 N -0.13 2.69 -0.17 2.92 1.01 0.51 -4.81 120.40 122.42 1ypz s VAL 93 Ca 0.03 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 1ypz s VAL 93 Cb -0.13 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1ypz s VAL 93 CO 0.02 -0.03 1.69 -1.59 0.00 0.00 0.00 175.10 175.19 1ypz s LYS 94 N 1.21 3.85 0.31 2.72 0.00 -1.26 0.18 119.74 126.75 1ypz s LYS 94 Ca -0.06 1.86 -0.29 0.00 0.00 0.00 0.00 55.97 57.48 1ypz s LYS 94 Cb -0.19 -4.05 -0.11 0.00 0.00 0.00 0.00 37.83 33.48 1ypz s LYS 94 CO -0.03 -1.23 1.44 -0.46 0.00 0.00 0.00 175.35 175.07 1ypz s TRP 95 N 5.12 2.87 -0.01 1.78 -0.00 0.13 -4.91 118.94 123.92 1ypz s TRP 95 Ca 0.75 1.13 0.01 0.00 -0.00 0.00 0.00 56.10 57.99 1ypz s TRP 95 Cb -0.28 -3.88 -0.00 0.00 -0.00 0.00 0.00 33.47 29.31 1ypz s TRP 95 CO 0.30 -2.68 -0.04 0.34 -0.00 0.00 0.00 176.95 174.87 1ypz s ASP 96 N 0.02 0.54 0.33 5.86 2.15 -1.26 -4.71 116.67 119.60 1ypz s ASP 96 Ca 0.55 -0.08 0.12 0.00 0.43 0.00 0.00 52.55 53.57 1ypz s ASP 96 Cb -0.43 -0.08 1.02 0.00 -0.30 0.00 0.00 42.92 43.13 1ypz s ASP 96 CO 0.52 0.05 1.64 -0.09 -0.17 0.00 0.00 175.17 177.12 1ypz h ARG 97 N 6.11 0.24 0.00 4.34 2.43 -1.99 -0.87 114.38 124.64 1ypz h ARG 97 Ca -0.28 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1ypz h ARG 97 Cb 1.19 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1ypz h ARG 97 CO 0.50 0.16 0.00 -0.44 -1.51 0.00 0.00 179.97 178.68 1ypz h ASP 98 N 0.24 0.00 0.00 -3.80 3.32 -2.01 -3.50 116.42 110.67 1ypz h ASP 98 Ca 0.70 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.75 1ypz h ASP 98 Cb 1.60 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1ypz h ASP 98 CO -0.65 0.00 0.00 1.15 -1.72 0.00 0.00 179.24 178.02