#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 1.36 -4.77 0.00 -0.08 -1.26 -4.90 116.55 106.89 1ypz n ASP -1 Ca 0.00 0.75 -0.34 0.00 -1.51 0.00 0.00 54.79 53.69 1ypz n ASP -1 Cb 0.00 -1.01 0.04 0.00 2.34 0.00 0.00 41.12 42.49 1ypz n ASP -1 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1ypz s PRO 0 N 5.26 2.91 -0.70 -0.67 0.02 -1.26 -4.98 135.00 135.58 1ypz s PRO 0 Ca 1.12 1.47 -0.18 0.00 0.02 0.00 0.00 61.00 63.44 1ypz s PRO 0 Cb -1.30 -1.96 0.14 0.00 0.02 0.00 0.00 34.50 31.40 1ypz s PRO 0 CO 0.65 -1.18 0.78 0.42 -0.33 0.00 0.00 177.00 177.33 1ypz s ILE 1 N -2.17 5.01 0.11 2.83 1.01 -1.26 -5.04 121.20 121.69 1ypz s ILE 1 Ca 0.69 -1.46 -0.05 0.00 0.00 0.00 0.00 60.65 59.83 1ypz s ILE 1 Cb -0.22 -4.53 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 1ypz s ILE 1 CO 0.38 -1.15 0.34 -1.10 0.00 0.00 0.00 174.94 173.41 1ypz s GLN 2 N 2.05 3.60 -0.12 2.79 -0.21 -1.26 -4.96 119.66 121.56 1ypz s GLN 2 Ca 0.16 -0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1ypz s GLN 2 Cb -0.18 -2.92 0.02 0.00 1.00 0.00 0.00 33.01 30.94 1ypz s GLN 2 CO -0.00 0.52 -0.10 1.03 -2.12 0.00 0.00 175.29 174.62 1ypz s ARG 3 N -2.45 1.79 0.96 2.91 0.52 -1.26 -4.96 118.95 116.46 1ypz s ARG 3 Ca 0.38 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.11 1ypz s ARG 3 Cb -0.13 -1.74 0.15 0.00 0.52 0.00 0.00 34.95 33.75 1ypz s ARG 3 CO 0.23 -0.23 1.01 -2.37 0.02 0.00 0.00 175.30 173.96 1ypz n THR 4 N 4.80 0.00 -3.27 0.02 5.66 -1.26 0.11 114.28 120.34 1ypz n THR 4 Ca -0.15 -0.09 -0.35 0.00 -3.05 0.00 0.00 64.05 60.41 1ypz n THR 4 Cb 0.50 -0.94 -0.06 0.00 -1.55 0.00 0.00 70.33 68.28 1ypz n THR 4 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1ypz s PRO 5 N -4.45 4.04 0.15 1.09 0.04 -1.26 -2.79 135.00 131.82 1ypz s PRO 5 Ca 0.66 0.59 0.04 0.00 0.04 0.00 0.00 61.00 62.33 1ypz s PRO 5 Cb -0.23 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1ypz s PRO 5 CO 0.60 0.40 0.17 0.15 0.04 0.00 0.00 177.00 178.36 1ypz s LYS 6 N -2.17 3.04 -0.00 4.56 1.02 0.40 -4.91 119.74 121.69 1ypz s LYS 6 Ca 0.42 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.64 1ypz s LYS 6 Cb -0.15 -2.74 -0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1ypz s LYS 6 CO 0.20 0.51 -0.00 0.42 -0.92 0.00 0.00 175.35 175.55 1ypz s ILE 7 N -1.69 0.03 -0.09 2.17 1.01 -1.26 -1.47 121.20 119.90 1ypz s ILE 7 Ca 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.92 1ypz s ILE 7 Cb -0.11 -0.03 0.04 0.00 0.01 0.00 0.00 42.46 42.37 1ypz s ILE 7 CO 0.25 0.01 0.08 -1.10 0.00 0.00 0.00 174.94 174.17 1ypz s GLN 8 N -0.01 -0.03 -0.13 2.79 -0.21 0.09 -4.97 119.66 117.20 1ypz s GLN 8 Ca 0.00 0.24 -0.02 0.00 0.02 0.00 0.00 55.36 55.60 1ypz s GLN 8 Cb -0.00 -0.93 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 1ypz s GLN 8 CO -0.00 -0.44 -0.08 0.08 -2.12 0.00 0.00 175.29 172.72 1ypz s VAL 9 N 2.17 3.48 0.21 1.09 1.01 -1.26 0.12 120.40 127.23 1ypz s VAL 9 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 1ypz s VAL 9 Cb -0.13 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1ypz s VAL 9 CO -0.05 0.52 0.97 -0.72 0.00 0.00 0.00 175.10 175.82 1ypz s TYR 10 N 0.24 0.03 0.15 5.22 -0.85 0.53 -4.70 117.35 117.97 1ypz s TYR 10 Ca -0.06 -0.46 -0.18 0.00 -0.52 0.00 0.00 57.07 55.85 1ypz s TYR 10 Cb -0.15 0.71 -0.07 0.00 0.38 0.00 0.00 41.96 42.83 1ypz s TYR 10 CO 0.04 -1.02 0.63 -1.54 -1.52 0.00 0.00 175.55 172.14 1ypz s SER 11 N -3.24 7.01 0.06 -0.18 1.04 -1.26 -0.65 113.70 116.48 1ypz s SER 11 Ca 0.18 1.29 -0.25 0.00 0.48 0.00 0.00 55.95 57.65 1ypz s SER 11 Cb -0.03 -2.37 -0.17 0.00 0.10 0.00 0.00 66.02 63.56 1ypz s SER 11 CO 0.06 0.14 1.59 -0.09 0.98 0.00 0.00 173.24 175.91 1ypz h ARG 12 N 3.84 -0.10 -6.20 4.02 2.43 -1.81 -3.44 114.38 113.12 1ypz h ARG 12 Ca -0.49 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.12 1ypz h ARG 12 Cb 1.20 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 1ypz h ARG 12 CO 0.65 0.05 -0.66 -1.01 -1.51 0.00 0.00 179.97 177.49 1ypz s HIS 13 N -5.64 2.62 -0.53 2.20 3.76 -1.26 -5.01 115.29 111.43 1ypz s HIS 13 Ca -0.14 -0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.22 1ypz s HIS 13 Cb 0.05 -1.16 -0.12 0.00 1.11 0.00 0.00 32.58 32.46 1ypz s HIS 13 CO 0.65 0.64 2.38 -2.30 -0.85 0.00 0.00 174.74 175.26 1ypz n PRO 14 N -0.85 0.90 -1.91 8.40 -0.02 -1.26 -4.80 135.00 135.45 1ypz n PRO 14 Ca -0.06 0.14 -0.40 0.00 -2.02 0.00 0.00 63.50 61.16 1ypz n PRO 14 Cb 0.59 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 9.52 3.36 -0.13 3.55 0.00 -1.26 -5.02 121.76 131.78 1ypz s ALA 15 Ca 1.11 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 54.43 1ypz s ALA 15 Cb -0.66 -3.55 0.06 0.00 0.00 0.00 0.00 23.12 18.97 1ypz s ALA 15 CO 0.40 -0.99 0.16 -2.00 0.00 0.00 0.00 175.76 173.33 1ypz s GLU 16 N -2.23 0.07 0.17 0.00 2.56 -1.26 -5.13 118.70 112.89 1ypz s GLU 16 Ca 0.56 0.33 -0.32 0.00 0.00 0.00 0.00 54.97 55.54 1ypz s GLU 16 Cb -0.42 -0.85 -0.10 0.00 2.00 0.00 0.00 34.13 34.75 1ypz s GLU 16 CO 0.55 -0.48 1.57 0.54 -0.56 0.00 0.00 175.26 176.89 1ypz s ASN 17 N 2.26 6.57 0.00 -1.70 4.22 -1.24 -3.41 114.94 121.64 1ypz s ASN 17 Ca 0.04 2.64 0.00 0.00 -2.14 0.00 0.00 52.86 53.40 1ypz s ASN 17 Cb -0.14 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.80 1ypz s ASN 17 CO -0.08 -0.83 0.00 0.61 -2.04 0.00 0.00 177.10 174.76 1ypz n GLY 18 N 3.68 2.30 3.86 0.45 0.00 -0.99 -4.89 105.19 109.60 1ypz n GLY 18 Ca 0.14 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 3.92 0.98 1.61 -0.14 -1.22 -4.98 119.74 119.91 1ypz s LYS 19 Ca 0.00 0.56 -0.11 0.00 -1.36 0.00 0.00 55.97 55.06 1ypz s LYS 19 Cb 0.00 -2.45 0.18 0.00 -1.68 0.00 0.00 37.83 33.88 1ypz s LYS 19 CO 0.00 0.13 1.09 -1.12 -0.76 0.00 0.00 175.35 174.69 1ypz s SER 20 N -2.50 2.52 0.04 2.83 0.01 -1.26 -4.62 113.70 110.71 1ypz s SER 20 Ca 0.52 1.73 -0.28 0.00 1.31 0.00 0.00 55.95 59.23 1ypz s SER 20 Cb -0.10 -2.35 0.10 0.00 0.21 0.00 0.00 66.02 63.88 1ypz s SER 20 CO 0.21 -3.28 1.18 0.21 0.41 0.00 0.00 173.24 171.98 1ypz s ASN 21 N -2.90 -0.09 -0.02 2.44 3.84 -1.03 -4.94 114.94 112.25 1ypz s ASN 21 Ca 0.66 -0.24 0.04 0.00 0.21 0.00 0.00 52.86 53.54 1ypz s ASN 21 Cb -0.22 0.27 -0.03 0.00 -0.55 0.00 0.00 41.25 40.72 1ypz s ASN 21 CO 0.60 -0.50 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.92 1ypz s PHE 22 N -2.65 2.72 -0.13 0.43 0.40 -1.26 -1.62 117.98 115.87 1ypz s PHE 22 Ca 0.14 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.19 1ypz s PHE 22 Cb 0.03 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.92 1ypz s PHE 22 CO -0.02 0.25 0.30 -1.17 0.70 0.00 0.00 175.22 175.28 1ypz s LEU 23 N -1.03 4.30 -0.16 -0.37 2.96 0.23 -2.14 118.68 122.46 1ypz s LEU 23 Ca 0.13 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1ypz s LEU 23 Cb -0.11 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.22 1ypz s LEU 23 CO 0.03 0.16 -0.12 0.20 -1.32 0.00 0.00 176.35 175.30 1ypz s ASN 24 N 0.09 2.89 -0.40 3.68 0.02 0.18 0.16 114.94 121.55 1ypz s ASN 24 Ca 0.18 -0.61 -0.08 0.00 -1.02 0.00 0.00 52.86 51.32 1ypz s ASN 24 Cb -0.14 -1.17 0.07 0.00 0.02 0.00 0.00 41.25 40.03 1ypz s ASN 24 CO 0.06 -0.09 0.22 0.00 0.02 0.00 0.00 177.10 177.31 1ypz s TYR 26 N 1.42 3.59 -0.01 0.00 5.04 0.32 -1.27 117.35 126.43 1ypz s TYR 26 Ca 0.02 0.81 0.05 0.00 -2.44 0.00 0.00 57.07 55.51 1ypz s TYR 26 Cb -0.22 -2.33 -0.01 0.00 0.35 0.00 0.00 41.96 39.75 1ypz s TYR 26 CO 0.02 0.42 -0.16 0.08 -1.34 0.00 0.00 175.55 174.57 1ypz s VAL 27 N -0.22 1.28 0.02 3.14 1.01 0.20 -0.73 120.40 125.10 1ypz s VAL 27 Ca 0.21 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1ypz s VAL 27 Cb -0.15 -1.07 0.07 0.00 0.00 0.00 0.00 36.38 35.23 1ypz s VAL 27 CO 0.09 0.36 0.64 -0.94 0.00 0.00 0.00 175.10 175.25 1ypz s SER 28 N -0.38 -0.61 0.00 3.32 1.04 -0.54 -0.58 113.70 115.95 1ypz s SER 28 Ca 0.06 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.96 1ypz s SER 28 Cb -0.06 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ypz s SER 28 CO -0.01 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1ypz n GLY 29 N 0.51 0.80 3.82 7.32 0.00 0.12 -0.45 105.19 117.30 1ypz n GLY 29 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.06 3.64 0.00 1.61 -0.12 -1.12 -4.41 117.98 114.53 1ypz s PHE 30 Ca 0.00 1.37 0.00 0.00 -0.05 0.00 0.00 56.93 58.25 1ypz s PHE 30 Cb 0.00 -2.60 0.00 0.00 -0.63 0.00 0.00 43.02 39.79 1ypz s PHE 30 CO 0.00 0.33 0.00 1.58 -0.05 0.00 0.00 175.22 177.08 1ypz n HIS 31 N 0.69 0.00 -1.52 3.49 -0.00 0.12 -0.86 115.22 117.14 1ypz n HIS 31 Ca -0.02 0.00 -0.49 0.00 -0.00 0.00 0.00 57.72 57.21 1ypz n HIS 31 Cb 0.51 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.99 30.30 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 -2.31 1.44 0.24 1.57 -0.02 -1.26 -4.59 135.00 130.06 1ypz n PRO 32 Ca 0.00 0.42 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1ypz n PRO 32 Cb 0.00 -2.68 0.86 0.00 -0.02 0.00 0.00 33.50 31.66 1ypz n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ypz h SER 33 N 12.63 0.00 -2.45 2.55 4.64 -1.99 -3.41 113.55 125.53 1ypz h SER 33 Ca -0.34 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.42 1ypz h SER 33 Cb 1.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1ypz h SER 33 CO 0.99 0.00 1.28 -1.81 -0.87 0.00 0.00 176.83 176.43 1ypz s ASP 34 N -5.17 6.03 -0.01 4.97 1.11 -1.26 -4.92 116.67 117.42 1ypz s ASP 34 Ca -0.04 1.85 -0.15 0.00 0.18 0.00 0.00 52.55 54.39 1ypz s ASP 34 Cb 0.13 -2.52 0.02 0.00 1.07 0.00 0.00 42.92 41.62 1ypz s ASP 34 CO 0.44 -1.50 0.31 -0.51 1.18 0.00 0.00 175.17 175.08 1ypz s ILE 35 N 6.27 0.06 -0.16 0.77 2.07 -1.26 -4.59 121.20 124.36 1ypz s ILE 35 Ca 0.85 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 59.60 1ypz s ILE 35 Cb -0.30 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.66 1ypz s ILE 35 CO 0.34 -0.27 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.23 1ypz s GLU 36 N -1.42 3.13 -0.08 3.50 2.12 -0.87 -5.00 118.70 120.07 1ypz s GLU 36 Ca -0.13 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.40 1ypz s GLU 36 Cb -0.05 -2.59 0.03 0.00 0.26 0.00 0.00 34.13 31.78 1ypz s GLU 36 CO 0.04 -0.06 0.01 0.08 -0.54 0.00 0.00 175.26 174.79 1ypz s VAL 37 N 0.98 0.35 0.03 3.70 1.01 -1.25 -0.70 120.40 124.52 1ypz s VAL 37 Ca -0.03 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1ypz s VAL 37 Cb -0.15 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 1ypz s VAL 37 CO -0.04 0.21 -0.09 -1.81 0.00 0.00 0.00 175.10 173.37 1ypz s ASP 38 N 1.98 1.05 0.51 3.32 1.01 0.59 -4.98 116.67 120.14 1ypz s ASP 38 Ca 0.05 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.92 1ypz s ASP 38 Cb -0.13 -0.03 0.02 0.00 1.01 0.00 0.00 42.92 43.79 1ypz s ASP 38 CO -0.05 -0.07 0.71 -0.76 0.21 0.00 0.00 175.17 175.21 1ypz s LEU 39 N -1.11 3.42 -0.07 1.23 1.43 -1.26 0.28 118.68 122.59 1ypz s LEU 39 Ca -0.04 -0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1ypz s LEU 39 Cb -0.07 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.32 1ypz s LEU 39 CO 0.01 -0.99 0.18 -0.76 0.23 0.00 0.00 176.35 175.01 1ypz s LEU 40 N -4.64 0.94 -0.44 1.79 1.43 -0.76 -1.72 118.68 115.28 1ypz s LEU 40 Ca 0.55 0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.90 1ypz s LEU 40 Cb -0.10 0.54 0.08 0.00 0.03 0.00 0.00 46.19 46.73 1ypz s LEU 40 CO 0.37 -0.11 0.32 -0.75 0.23 0.00 0.00 176.35 176.41 1ypz s LYS 41 N 0.70 2.76 -1.42 1.70 2.20 0.89 -2.79 119.74 123.80 1ypz s LYS 41 Ca -0.05 -1.42 -0.11 0.00 -0.36 0.00 0.00 55.97 54.03 1ypz s LYS 41 Cb -0.07 -3.93 0.08 0.00 -1.51 0.00 0.00 37.83 32.40 1ypz s LYS 41 CO -0.04 -0.99 0.65 0.09 -0.36 0.00 0.00 175.35 174.70 1ypz n ASN 42 N 5.04 -4.21 0.00 1.43 3.02 0.38 -2.95 115.26 117.97 1ypz n ASN 42 Ca -0.11 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 1ypz n ASN 42 Cb 0.43 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 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 -1.35 1.45 3.76 7.41 0.00 -1.26 -4.99 105.19 110.20 1ypz n GLY 43 Ca -0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 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 2.34 -0.67 1.61 2.02 -1.15 -4.97 118.70 117.88 1ypz s GLU 44 Ca 0.00 -1.65 -0.26 0.00 0.02 0.00 0.00 54.97 53.08 1ypz s GLU 44 Cb 0.00 -2.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1ypz s GLU 44 CO 0.00 -0.01 1.79 0.50 0.02 0.00 0.00 175.26 177.56 1ypz s ARG 45 N -3.91 2.71 0.10 1.61 3.52 -1.25 -0.07 118.95 121.65 1ypz s ARG 45 Ca 0.40 0.36 -0.36 0.00 -0.13 0.00 0.00 55.73 56.01 1ypz s ARG 45 Cb -0.00 -4.46 -0.17 0.00 -1.56 0.00 0.00 34.95 28.75 1ypz s ARG 45 CO 0.23 -2.73 1.15 -0.89 -0.81 0.00 0.00 175.30 172.25 1ypz n ILE 46 N 7.18 0.41 0.00 4.11 5.41 -0.70 -4.89 119.36 130.89 1ypz n ILE 46 Ca 0.21 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1ypz n ILE 46 Cb 0.51 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 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 1.89 0.00 -4.54 0.38 4.71 -1.26 -4.49 120.64 117.33 1ypz n GLU 47 Ca 0.18 0.10 -0.31 0.00 -0.01 0.00 0.00 57.16 57.12 1ypz n GLU 47 Cb 0.18 -0.38 -0.17 0.00 -1.01 0.00 0.00 31.44 30.07 1ypz n GLU 47 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1ypz s LYS 48 N -0.38 2.64 -0.06 3.49 -0.14 -1.26 -5.10 119.74 118.94 1ypz s LYS 48 Ca 0.00 -0.71 0.03 0.00 -1.36 0.00 0.00 55.97 53.93 1ypz s LYS 48 Cb 0.00 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 1ypz s LYS 48 CO 0.00 -0.05 -0.15 0.08 -0.76 0.00 0.00 175.35 174.47 1ypz s VAL 49 N 0.93 1.34 0.46 3.17 1.01 -1.26 -4.81 120.40 121.24 1ypz s VAL 49 Ca -0.06 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1ypz s VAL 49 Cb -0.15 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1ypz s VAL 49 CO -0.02 0.40 0.64 -1.61 0.00 0.00 0.00 175.10 174.50 1ypz s GLU 50 N 0.31 2.73 0.24 2.72 2.02 -0.99 -4.93 118.70 120.80 1ypz s GLU 50 Ca -0.09 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.70 1ypz s GLU 50 Cb -0.14 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 1ypz s GLU 50 CO 0.03 -0.42 0.42 -3.38 0.02 0.00 0.00 175.26 171.93 1ypz s HIS 51 N -2.49 0.53 0.98 1.61 -3.43 -1.26 -1.11 115.29 110.12 1ypz s HIS 51 Ca 0.56 -0.86 -0.16 0.00 -0.80 0.00 0.00 55.06 53.80 1ypz s HIS 51 Cb -0.10 0.05 0.20 0.00 -1.43 0.00 0.00 32.58 31.29 1ypz s HIS 51 CO 0.35 -0.94 1.26 -1.54 -2.00 0.00 0.00 174.74 171.87 1ypz s SER 52 N -3.05 2.96 -0.07 7.38 1.04 -0.82 -5.00 113.70 116.13 1ypz s SER 52 Ca 0.26 0.44 -0.22 0.00 0.48 0.00 0.00 55.95 56.90 1ypz s SER 52 Cb 0.01 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 1ypz s SER 52 CO 0.10 -2.84 0.66 -1.81 0.98 0.00 0.00 173.24 170.33 1ypz s ASP 53 N -4.64 6.93 -0.34 7.02 1.01 -1.26 -4.85 116.67 120.55 1ypz s ASP 53 Ca 0.71 1.12 -0.39 0.00 0.71 0.00 0.00 52.55 54.71 1ypz s ASP 53 Cb -0.06 -2.39 -0.14 0.00 1.01 0.00 0.00 42.92 41.33 1ypz s ASP 53 CO 0.53 -0.09 1.97 -0.11 0.21 0.00 0.00 175.17 177.68 1ypz n LEU 54 N 3.75 2.07 -4.31 1.23 7.94 -1.26 -4.96 117.00 121.46 1ypz n LEU 54 Ca -0.02 0.77 -0.16 0.00 -1.11 0.00 0.00 56.01 55.48 1ypz n LEU 54 Cb 0.51 -1.15 -0.10 0.00 0.53 0.00 0.00 43.42 43.21 1ypz n LEU 54 CO 0.46 -0.59 -0.31 -0.55 -1.11 0.00 0.00 177.39 175.30 1ypz s SER 55 N 5.34 1.57 0.28 1.96 0.15 -1.24 -5.04 113.70 116.70 1ypz s SER 55 Ca 1.06 -1.25 0.03 0.00 0.70 0.00 0.00 55.95 56.48 1ypz s SER 55 Cb -1.05 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 63.29 1ypz s SER 55 CO 0.60 -0.58 0.17 0.72 1.20 0.00 0.00 173.24 175.35 1ypz s PHE 56 N -3.55 1.51 0.48 3.44 -0.12 -1.26 -1.51 117.98 116.97 1ypz s PHE 56 Ca 0.30 -1.43 0.04 0.00 -0.05 0.00 0.00 56.93 55.79 1ypz s PHE 56 Cb 0.06 -0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 41.68 1ypz s PHE 56 CO 0.09 -0.62 0.09 -1.54 -0.05 0.00 0.00 175.22 173.20 1ypz s SER 57 N -3.31 4.20 0.12 1.98 1.04 0.50 -4.94 113.70 113.29 1ypz s SER 57 Ca 0.38 -1.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.32 1ypz s SER 57 Cb 0.05 0.16 0.18 0.00 0.10 0.00 0.00 66.02 66.51 1ypz s SER 57 CO 0.18 -0.76 0.68 0.29 0.98 0.00 0.00 173.24 174.61 1ypz n LYS 58 N -1.28 -0.06 -0.74 4.02 4.76 -1.26 0.37 118.16 123.97 1ypz n LYS 58 Ca -0.11 0.68 -0.14 0.00 -2.87 0.00 0.00 58.31 55.88 1ypz n LYS 58 Cb 0.66 -1.02 0.05 0.00 -1.84 0.00 0.00 35.03 32.89 1ypz n LYS 58 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ypz n ASP 59 N -4.70 5.17 0.00 4.39 5.75 -1.26 -4.83 116.55 121.08 1ypz n ASP 59 Ca 0.06 -2.90 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 1ypz n ASP 59 Cb 0.21 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1ypz n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ypz n TRP 60 N 0.15 0.00 -1.68 2.11 7.02 1.16 -4.89 117.44 121.32 1ypz n TRP 60 Ca 0.28 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.39 1ypz n TRP 60 Cb 0.75 -0.93 0.07 0.00 -2.42 0.00 0.00 31.31 28.78 1ypz n TRP 60 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1ypz n SER 61 N 0.00 1.75 -4.94 -0.99 3.41 -1.24 -4.46 113.62 107.15 1ypz n SER 61 Ca 0.00 0.81 -0.24 0.00 -0.26 0.00 0.00 58.87 59.18 1ypz n SER 61 Cb 0.00 -1.52 -0.01 0.00 -0.26 0.00 0.00 64.21 62.42 1ypz n SER 61 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ypz s PHE 62 N -1.45 3.50 -0.19 7.33 0.40 -0.04 -0.37 117.98 127.17 1ypz s PHE 62 Ca 0.81 0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 57.37 1ypz s PHE 62 Cb -0.38 -1.90 0.06 0.00 0.51 0.00 0.00 43.02 41.30 1ypz s PHE 62 CO 0.42 0.11 0.47 1.52 0.70 0.00 0.00 175.22 178.44 1ypz s TYR 63 N -2.32 -0.63 0.00 0.36 -0.85 -0.57 0.10 117.35 113.45 1ypz s TYR 63 Ca 0.40 1.38 -0.05 0.00 -0.52 0.00 0.00 57.07 58.29 1ypz s TYR 63 Cb -0.10 0.27 -0.00 0.00 0.38 0.00 0.00 41.96 42.51 1ypz s TYR 63 CO 0.36 -0.33 0.09 -0.51 -1.52 0.00 0.00 175.55 173.64 1ypz s LEU 64 N 0.96 1.76 -0.08 -3.49 1.43 0.25 -3.72 118.68 115.79 1ypz s LEU 64 Ca -0.06 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 1ypz s LEU 64 Cb -0.06 0.48 0.02 0.00 0.03 0.00 0.00 46.19 46.66 1ypz s LEU 64 CO -0.08 -0.32 -0.08 -0.22 0.23 0.00 0.00 176.35 175.88 1ypz s LEU 65 N -1.27 1.34 -0.26 1.79 0.20 -1.26 0.62 118.68 119.84 1ypz s LEU 65 Ca -0.14 -0.26 -0.10 0.00 0.69 0.00 0.00 54.13 54.32 1ypz s LEU 65 Cb -0.08 -0.76 -0.04 0.00 -0.43 0.00 0.00 46.19 44.88 1ypz s LEU 65 CO 0.01 -0.06 0.14 -0.31 -0.29 0.00 0.00 176.35 175.84 1ypz s TYR 66 N 1.23 3.19 0.14 5.38 1.51 -0.39 -1.95 117.35 126.45 1ypz s TYR 66 Ca -0.05 -0.04 0.09 0.00 -1.01 0.00 0.00 57.07 56.07 1ypz s TYR 66 Cb -0.14 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1ypz s TYR 66 CO -0.02 -0.18 -0.22 1.52 -1.11 0.00 0.00 175.55 175.54 1ypz s TYR 67 N 1.56 1.96 0.22 2.71 1.13 -0.27 0.07 117.35 124.73 1ypz s TYR 67 Ca 0.07 -0.42 -0.08 0.00 -1.41 0.00 0.00 57.07 55.23 1ypz s TYR 67 Cb -0.15 -1.03 -0.02 0.00 -1.10 0.00 0.00 41.96 39.66 1ypz s TYR 67 CO 0.07 0.30 0.32 -0.08 -2.51 0.00 0.00 175.55 173.66 1ypz s THR 68 N -1.45 0.01 -0.34 -3.49 -1.32 0.12 -2.35 115.64 106.82 1ypz s THR 68 Ca 0.12 -1.65 -0.16 0.00 -1.21 0.00 0.00 61.69 58.79 1ypz s THR 68 Cb -0.09 -2.29 -0.01 0.00 -1.51 0.00 0.00 72.50 68.61 1ypz s THR 68 CO 0.06 -0.03 0.42 -1.61 -2.21 0.00 0.00 174.62 171.25 1ypz s GLU 69 N -4.07 3.64 0.04 7.08 8.01 -1.26 0.77 118.70 132.92 1ypz s GLU 69 Ca 0.29 -0.25 0.00 0.00 0.01 0.00 0.00 54.97 55.01 1ypz s GLU 69 Cb 0.03 -3.79 -0.03 0.00 -4.31 0.00 0.00 34.13 26.03 1ypz s GLU 69 CO 0.09 -0.54 -0.04 -0.59 0.01 0.00 0.00 175.26 174.19 1ypz s PHE 70 N 2.17 0.51 -0.54 1.61 -0.71 -0.64 -4.86 117.98 115.53 1ypz s PHE 70 Ca 0.15 -0.74 -0.00 0.00 -1.04 0.00 0.00 56.93 55.30 1ypz s PHE 70 Cb -0.16 -0.34 0.14 0.00 -1.21 0.00 0.00 43.02 41.45 1ypz s PHE 70 CO 0.12 -0.22 0.32 0.99 -1.34 0.00 0.00 175.22 175.09 1ypz s THR 71 N -2.47 3.23 0.24 -4.49 2.01 -1.26 -2.47 115.64 110.43 1ypz s THR 71 Ca -0.04 -2.86 -0.29 0.00 0.31 0.00 0.00 61.69 58.81 1ypz s THR 71 Cb -0.03 -3.17 -0.15 0.00 0.01 0.00 0.00 72.50 69.17 1ypz s THR 71 CO -0.04 -0.80 0.99 -2.65 -0.69 0.00 0.00 174.62 171.43 1ypz n PRO 72 N 3.63 1.12 -3.47 4.92 -0.02 -1.26 -4.77 135.00 135.14 1ypz n PRO 72 Ca 0.05 0.39 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1ypz n PRO 72 Cb 0.37 -1.76 -0.12 0.00 -0.02 0.00 0.00 33.50 31.97 1ypz n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ypz s THR 73 N -0.79 -0.26 0.00 3.45 -4.23 -1.26 -2.34 115.64 110.21 1ypz s THR 73 Ca 0.64 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1ypz s THR 73 Cb -0.78 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.13 1ypz s THR 73 CO 0.57 -0.52 0.00 1.21 -0.54 0.00 0.00 174.62 175.34 1ypz n GLU 74 N 5.29 0.00 -1.60 3.99 2.13 -1.26 0.71 120.64 129.90 1ypz n GLU 74 Ca -0.04 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.46 1ypz n GLU 74 Cb 0.45 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.22 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 -1.78 2.99 -3.66 5.31 4.76 -1.26 -4.86 118.16 119.65 1ypz n LYS 75 Ca 0.00 -3.60 -0.25 0.00 -2.87 0.00 0.00 58.31 51.59 1ypz n LYS 75 Cb 0.00 -2.28 -0.17 0.00 -1.84 0.00 0.00 35.03 30.73 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 -2.37 2.17 0.21 4.39 1.01 0.22 -5.09 116.67 117.21 1ypz s ASP 76 Ca 0.60 -0.48 -0.16 0.00 0.71 0.00 0.00 52.55 53.22 1ypz s ASP 76 Cb 0.47 -0.32 -0.08 0.00 1.01 0.00 0.00 42.92 44.01 1ypz s ASP 76 CO -0.02 -0.31 0.65 -0.70 0.21 0.00 0.00 175.17 175.01 1ypz s GLU 77 N 2.07 4.08 0.18 8.23 2.12 -1.26 -4.56 118.70 129.56 1ypz s GLU 77 Ca 0.02 0.66 0.07 0.00 0.36 0.00 0.00 54.97 56.09 1ypz s GLU 77 Cb -0.15 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 1ypz s GLU 77 CO -0.07 0.38 -0.15 0.71 -0.54 0.00 0.00 175.26 175.58 1ypz s TYR 78 N -1.61 1.66 0.12 5.30 2.02 -1.26 0.14 117.35 123.72 1ypz s TYR 78 Ca 0.44 -0.57 -0.26 0.00 -0.37 0.00 0.00 57.07 56.31 1ypz s TYR 78 Cb -0.15 -0.79 0.07 0.00 -0.40 0.00 0.00 41.96 40.69 1ypz s TYR 78 CO 0.20 0.31 0.99 0.00 -1.57 0.00 0.00 175.55 175.48 1ypz s ALA 79 N -2.73 -1.74 0.01 3.71 0.00 -1.12 -2.16 121.76 117.73 1ypz s ALA 79 Ca 0.19 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1ypz s ALA 79 Cb -0.02 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 1ypz s ALA 79 CO 0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 175.76 174.76 1ypz s ARG 81 N -1.50 2.46 -0.08 0.00 3.52 0.14 -0.77 118.95 122.72 1ypz s ARG 81 Ca 0.18 -1.20 0.01 0.00 -0.13 0.00 0.00 55.73 54.59 1ypz s ARG 81 Cb -0.11 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1ypz s ARG 81 CO 0.09 -0.48 -0.09 0.08 -0.81 0.00 0.00 175.30 174.08 1ypz s VAL 82 N 1.17 1.01 -0.13 7.11 1.01 -0.93 -0.30 120.40 129.34 1ypz s VAL 82 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1ypz s VAL 82 Cb -0.18 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.24 1ypz s VAL 82 CO -0.06 0.34 -0.18 0.21 0.00 0.00 0.00 175.10 175.41 1ypz s ASN 83 N 1.10 2.75 0.34 3.32 3.84 0.12 -1.35 114.94 125.06 1ypz s ASN 83 Ca -0.07 -0.51 0.05 0.00 0.21 0.00 0.00 52.86 52.55 1ypz s ASN 83 Cb -0.14 -1.25 -0.07 0.00 -0.55 0.00 0.00 41.25 39.24 1ypz s ASN 83 CO -0.01 0.02 0.02 -2.28 -2.79 0.00 0.00 177.10 172.06 1ypz s HIS 84 N 1.04 2.14 -1.12 0.43 5.65 -1.26 -2.05 115.29 120.11 1ypz s HIS 84 Ca -0.04 -0.82 0.17 0.00 0.25 0.00 0.00 55.06 54.62 1ypz s HIS 84 Cb -0.15 -1.40 0.77 0.00 -1.18 0.00 0.00 32.58 30.62 1ypz s HIS 84 CO -0.04 0.20 1.54 0.28 -0.65 0.00 0.00 174.74 176.06 1ypz n VAL 85 N -0.75 0.74 0.71 0.89 0.31 -1.26 -2.78 118.33 116.19 1ypz n VAL 85 Ca -0.04 0.18 0.11 0.00 -0.01 0.00 0.00 64.34 64.59 1ypz n VAL 85 Cb 0.66 -0.89 0.12 0.00 -0.91 0.00 0.00 33.84 32.82 1ypz n VAL 85 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ypz n THR 86 N -1.44 0.15 -4.27 2.52 -2.24 -1.26 -5.00 114.28 102.74 1ypz n THR 86 Ca 0.05 -0.58 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 1ypz n THR 86 Cb 0.18 1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1ypz n THR 86 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1ypz s LEU 87 N -1.68 2.41 0.07 3.22 2.34 -1.12 -4.96 118.68 118.96 1ypz s LEU 87 Ca 0.28 -0.82 -0.31 0.00 0.06 0.00 0.00 54.13 53.34 1ypz s LEU 87 Cb 0.19 -0.63 -0.15 0.00 -0.56 0.00 0.00 46.19 45.03 1ypz s LEU 87 CO 0.28 -0.11 1.48 0.77 -1.06 0.00 0.00 176.35 177.71 1ypz h SER 88 N 3.45 -1.18 -4.72 1.48 4.64 -1.95 -3.45 113.55 111.83 1ypz h SER 88 Ca -0.41 0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 60.79 1ypz h SER 88 Cb 1.20 0.38 -0.16 0.00 -0.31 0.00 0.00 62.40 63.51 1ypz h SER 88 CO 0.50 -0.60 -0.70 0.00 -0.87 0.00 0.00 176.83 175.17 1ypz s GLN 89 N -5.46 0.77 0.16 4.77 -2.07 -1.26 -5.10 119.66 111.46 1ypz s GLN 89 Ca -0.16 -1.25 -0.34 0.00 -1.82 0.00 0.00 55.36 51.80 1ypz s GLN 89 Cb 0.03 -0.15 -0.16 0.00 -1.09 0.00 0.00 33.01 31.65 1ypz s GLN 89 CO 0.52 -0.03 1.26 -2.30 -1.32 0.00 0.00 175.29 173.42 1ypz n PRO 90 N 0.15 1.32 -3.51 9.60 -0.02 -1.26 -4.92 135.00 136.35 1ypz n PRO 90 Ca -0.14 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.44 1ypz n PRO 90 Cb 0.60 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.12 3.90 -0.09 -0.52 2.20 -0.46 -4.91 119.74 119.75 1ypz s LYS 91 Ca 0.75 0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 56.75 1ypz s LYS 91 Cb -0.84 -3.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.25 1ypz s LYS 91 CO 0.50 0.68 -0.04 0.42 -0.36 0.00 0.00 175.35 176.55 1ypz s ILE 92 N -1.11 3.91 -0.29 5.43 1.01 -1.25 -2.19 121.20 126.71 1ypz s ILE 92 Ca 0.25 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1ypz s ILE 92 Cb -0.16 -2.63 0.08 0.00 0.01 0.00 0.00 42.46 39.76 1ypz s ILE 92 CO 0.14 0.59 0.02 -0.69 0.00 0.00 0.00 174.94 174.99 1ypz s VAL 93 N -0.67 1.60 0.28 2.92 1.01 0.05 -4.90 120.40 120.69 1ypz s VAL 93 Ca 0.10 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 1ypz s VAL 93 Cb -0.12 -2.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.09 1ypz s VAL 93 CO 0.02 -0.42 1.52 2.29 0.00 0.00 0.00 175.10 178.51 1ypz n LYS 94 N 4.58 2.48 -3.49 2.72 2.85 -1.26 -1.04 118.16 124.99 1ypz n LYS 94 Ca -0.04 0.88 -0.42 0.00 -1.05 0.00 0.00 58.31 57.67 1ypz n LYS 94 Cb 0.43 -2.61 -0.10 0.00 -0.65 0.00 0.00 35.03 32.09 1ypz n LYS 94 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 177.40 176.89 1ypz s TRP 95 N -0.11 3.24 0.03 5.58 -0.00 -0.92 -4.91 118.94 121.85 1ypz s TRP 95 Ca 0.64 -0.63 -0.03 0.00 -0.00 0.00 0.00 56.10 56.09 1ypz s TRP 95 Cb -0.54 -2.56 -0.04 0.00 -0.00 0.00 0.00 33.47 30.33 1ypz s TRP 95 CO 0.50 -0.59 0.22 0.34 -0.00 0.00 0.00 176.95 177.43 1ypz s ASP 96 N 1.66 6.40 0.47 5.86 2.15 -1.26 -4.73 116.67 127.23 1ypz s ASP 96 Ca 0.05 0.39 0.21 0.00 0.43 0.00 0.00 52.55 53.63 1ypz s ASP 96 Cb -0.19 -2.01 1.19 0.00 -0.30 0.00 0.00 42.92 41.60 1ypz s ASP 96 CO 0.09 0.21 2.00 0.03 -0.17 0.00 0.00 175.17 177.34 1ypz h ARG 97 N 3.54 0.00 0.00 4.34 3.08 -1.97 -3.33 114.38 120.04 1ypz h ARG 97 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1ypz h ARG 97 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ypz h ARG 97 CO 0.71 0.18 -0.07 0.22 -1.07 0.00 0.00 179.97 179.94 1ypz h ASP 98 N 0.00 0.00 0.00 7.04 1.82 -1.99 -3.48 116.42 119.81 1ypz h ASP 98 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ypz h ASP 98 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1ypz h ASP 98 CO 0.02 0.17 0.00 1.15 -1.61 0.00 0.00 179.24 178.97