#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oyz s SER 2 N 0.00 4.13 -0.32 0.00 1.04 -1.26 -5.06 113.70 112.22 2oyz s SER 2 Ca 0.00 -1.29 -0.07 0.00 0.48 0.00 0.00 55.95 55.08 2oyz s SER 2 Cb 0.00 -0.31 0.03 0.00 0.10 0.00 0.00 66.02 65.84 2oyz s SER 2 CO 0.00 -0.55 0.10 -0.63 0.98 0.00 0.00 173.24 173.15 2oyz s ILE 3 N -2.69 3.91 -0.16 -1.02 1.01 -1.26 -4.56 121.20 116.43 2oyz s ILE 3 Ca 0.34 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2oyz s ILE 3 Cb 0.06 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2oyz s ILE 3 CO 0.18 -0.08 0.61 -0.75 0.00 0.00 0.00 174.94 174.90 2oyz s LYS 4 N 1.45 4.27 -0.16 2.79 2.20 -0.17 -4.83 119.74 125.29 2oyz s LYS 4 Ca 0.00 0.62 -0.10 0.00 -0.36 0.00 0.00 55.97 56.13 2oyz s LYS 4 Cb -0.19 -3.53 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 2oyz s LYS 4 CO 0.03 -0.11 0.18 -1.21 -0.36 0.00 0.00 175.35 173.88 2oyz s GLU 5 N 1.46 4.01 0.02 4.03 2.02 -1.26 -0.11 118.70 128.86 2oyz s GLU 5 Ca 0.29 -0.10 0.01 0.00 0.02 0.00 0.00 54.97 55.20 2oyz s GLU 5 Cb -0.16 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2oyz s GLU 5 CO 0.12 0.42 -0.05 -0.80 0.02 0.00 0.00 175.26 174.96 2oyz s ASN 6 N -0.02 0.59 0.01 -0.19 -0.87 -0.72 -5.01 114.94 108.72 2oyz s ASN 6 Ca 0.12 -0.35 0.07 0.00 -1.57 0.00 0.00 52.86 51.12 2oyz s ASN 6 Cb -0.12 0.01 -0.02 0.00 -0.02 0.00 0.00 41.25 41.10 2oyz s ASN 6 CO 0.01 -0.12 -0.20 -0.55 -2.57 0.00 0.00 177.10 173.67 2oyz s SER 7 N -0.98 2.39 0.09 -1.22 0.15 -1.26 -1.17 113.70 111.71 2oyz s SER 7 Ca -0.07 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.17 2oyz s SER 7 Cb -0.07 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.97 2oyz s SER 7 CO -0.00 0.21 -0.06 -0.31 1.20 0.00 0.00 173.24 174.28 2oyz s TYR 8 N -0.61 0.83 -1.33 3.44 2.02 0.94 -4.89 117.35 117.75 2oyz s TYR 8 Ca 0.08 -0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 55.84 2oyz s TYR 8 Cb -0.08 -0.50 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 2oyz s TYR 8 CO 0.00 -0.18 0.69 1.19 -1.57 0.00 0.00 175.55 175.68 2oyz n PHE 9 N 0.01 -1.91 -2.23 2.71 3.01 -1.26 -1.36 117.46 116.44 2oyz n PHE 9 Ca -0.13 0.83 -0.21 0.00 1.01 0.00 0.00 57.45 58.96 2oyz n PHE 9 Cb 0.61 -4.30 -0.03 0.00 -0.01 0.00 0.00 39.48 35.75 2oyz n PHE 9 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2oyz n ALA 10 N -4.31 -0.55 -0.17 4.37 0.00 -1.26 -1.38 120.51 117.21 2oyz n ALA 10 Ca -0.28 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2oyz n ALA 10 Cb 0.67 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.97 2oyz n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oyz n GLY 11 N -0.90 0.71 0.20 0.00 0.00 -0.46 -4.96 105.19 99.77 2oyz n GLY 11 Ca -0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.83 2oyz n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oyz h GLY 12 N 0.00 0.00 -6.39 -0.02 0.00 -0.35 -3.42 103.07 92.89 2oyz h GLY 12 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 2oyz h GLY 12 CO 0.00 0.00 -0.77 0.14 0.00 0.00 0.00 176.54 175.91 2oyz s VAL 13 N -4.13 0.43 0.06 4.60 1.01 -0.92 -0.75 120.40 120.70 2oyz s VAL 13 Ca -0.02 -0.04 0.05 0.00 0.00 0.00 0.00 61.98 61.96 2oyz s VAL 13 Cb 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2oyz s VAL 13 CO 0.70 0.21 -0.13 -0.54 0.00 0.00 0.00 175.10 175.34 2oyz s LYS 14 N 1.10 0.82 0.05 2.72 1.02 -0.71 -0.04 119.74 124.70 2oyz s LYS 14 Ca -0.08 -0.85 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 2oyz s LYS 14 Cb -0.14 -0.81 -0.04 0.00 -0.52 0.00 0.00 37.83 36.33 2oyz s LYS 14 CO -0.01 0.19 -0.03 -1.54 -0.92 0.00 0.00 175.35 173.04 2oyz s SER 15 N -1.48 0.44 -0.16 2.83 1.04 -0.31 -1.03 113.70 115.03 2oyz s SER 15 Ca -0.01 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.50 2oyz s SER 15 Cb -0.09 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.25 2oyz s SER 15 CO 0.02 -0.55 -0.08 -0.76 0.98 0.00 0.00 173.24 172.84 2oyz s LEU 16 N -2.67 1.73 0.08 2.42 1.43 0.90 -1.76 118.68 120.81 2oyz s LEU 16 Ca 0.03 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2oyz s LEU 16 Cb 0.05 -1.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 2oyz s LEU 16 CO -0.08 -0.14 0.12 -0.83 0.23 0.00 0.00 176.35 175.64 2oyz s GLY 17 N 1.56 2.05 0.06 -3.19 0.00 0.84 -1.49 107.32 107.14 2oyz s GLY 17 Ca 0.02 -0.97 -0.26 0.00 0.00 0.00 0.00 44.72 43.50 2oyz s GLY 17 CO -0.08 -0.96 0.74 -0.11 0.00 0.00 0.00 173.10 172.69 2oyz s PHE 18 N -1.44 -0.47 -0.18 1.90 -0.71 -0.10 -1.00 117.98 115.98 2oyz s PHE 18 Ca 0.31 0.40 -0.07 0.00 -1.04 0.00 0.00 56.93 56.52 2oyz s PHE 18 Cb -0.12 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 2oyz s PHE 18 CO 0.24 -0.68 0.06 1.21 -1.34 0.00 0.00 175.22 174.71 2oyz s ASN 19 N -2.37 5.61 -0.17 1.98 3.84 -1.26 -1.04 114.94 121.53 2oyz s ASN 19 Ca 0.01 0.08 -0.00 0.00 0.21 0.00 0.00 52.86 53.16 2oyz s ASN 19 Cb -0.01 -1.96 0.04 0.00 -0.55 0.00 0.00 41.25 38.77 2oyz s ASN 19 CO -0.08 0.17 -0.07 -1.58 -2.79 0.00 0.00 177.10 172.75 2oyz s GLN 20 N 0.37 1.63 5.30 0.43 0.74 0.51 -4.93 119.66 123.71 2oyz s GLN 20 Ca 0.03 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.87 2oyz s GLN 20 Cb -0.12 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.92 2oyz s GLN 20 CO 0.00 -0.41 0.00 0.72 -0.55 0.00 0.00 175.29 175.06 2oyz n HIS 21 N 4.83 0.00 -1.34 1.67 8.25 -1.26 -2.20 115.22 125.16 2oyz n HIS 21 Ca -0.13 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.28 2oyz n HIS 21 Cb 0.48 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.80 2oyz n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oyz n GLY 22 N 0.00 4.68 3.05 -1.41 0.00 -1.26 -5.02 105.19 105.23 2oyz n GLY 22 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.74 2oyz n GLY 22 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oyz s GLN 23 N -3.19 0.38 0.01 1.61 -0.21 -0.94 -5.14 119.66 112.19 2oyz s GLN 23 Ca 0.47 -0.37 -0.23 0.00 0.02 0.00 0.00 55.36 55.25 2oyz s GLN 23 Cb 0.41 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 34.52 2oyz s GLN 23 CO 0.03 -0.08 0.68 0.34 -2.12 0.00 0.00 175.29 174.14 2oyz s ASP 24 N -1.17 7.09 0.07 5.90 2.15 -1.26 -0.36 116.67 129.08 2oyz s ASP 24 Ca -0.13 1.30 0.02 0.00 0.43 0.00 0.00 52.55 54.17 2oyz s ASP 24 Cb -0.07 -2.42 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2oyz s ASP 24 CO 0.01 0.05 -0.08 -0.69 -0.17 0.00 0.00 175.17 174.28 2oyz s VAL 25 N -0.06 0.66 0.00 1.11 1.01 -0.20 -4.20 120.40 118.71 2oyz s VAL 25 Ca 0.35 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 2oyz s VAL 25 Cb -0.19 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2oyz s VAL 25 CO 0.20 -0.57 0.03 -0.94 0.00 0.00 0.00 175.10 173.82 2oyz s SER 26 N -2.19 0.08 0.09 3.32 1.04 -0.54 -0.93 113.70 114.57 2oyz s SER 26 Ca -0.00 -0.19 0.08 0.00 0.48 0.00 0.00 55.95 56.31 2oyz s SER 26 Cb -0.04 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 2oyz s SER 26 CO -0.01 -0.18 -0.15 0.54 0.98 0.00 0.00 173.24 174.42 2oyz s VAL 27 N -0.76 3.03 0.27 5.02 0.11 -0.56 -0.51 120.40 127.00 2oyz s VAL 27 Ca -0.08 -1.31 -0.13 0.00 -2.93 0.00 0.00 61.98 57.52 2oyz s VAL 27 Cb -0.05 -2.36 0.05 0.00 -1.53 0.00 0.00 36.38 32.49 2oyz s VAL 27 CO -0.00 0.18 0.68 0.61 -3.33 0.00 0.00 175.10 173.24 2oyz n GLY 28 N 1.01 1.06 0.55 6.54 0.00 -0.56 -0.07 105.19 113.73 2oyz n GLY 28 Ca -0.15 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 2oyz n GLY 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2oyz n VAL 29 N -0.47 0.00 -4.06 1.61 0.31 -0.19 -1.05 118.33 114.49 2oyz n VAL 29 Ca -0.06 -0.40 -0.07 0.00 -0.01 0.00 0.00 64.34 63.81 2oyz n VAL 29 Cb 0.47 0.15 -0.10 0.00 -0.91 0.00 0.00 33.84 33.45 2oyz n VAL 29 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2oyz s LEU 31 N 0.00 2.36 0.19 7.52 1.43 0.07 -1.74 118.68 128.51 2oyz s LEU 31 Ca 0.04 -0.92 -0.32 0.00 -1.03 0.00 0.00 54.13 51.90 2oyz s LEU 31 Cb 0.00 0.28 -0.15 0.00 0.03 0.00 0.00 46.19 46.35 2oyz s LEU 31 CO 0.03 -0.58 1.24 -2.65 0.23 0.00 0.00 176.35 174.61 2oyz n PRO 32 N 0.23 1.41 -3.95 1.29 -0.02 -1.26 -4.78 135.00 127.93 2oyz n PRO 32 Ca -0.15 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2oyz n PRO 32 Cb 0.61 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2oyz n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oyz n GLY 33 N 2.09 -1.24 3.03 -1.23 0.00 -0.61 -4.97 105.19 102.25 2oyz n GLY 33 Ca 0.14 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 2oyz n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oyz s GLU 34 N -1.89 1.10 0.02 1.61 2.12 -1.26 -0.78 118.70 119.61 2oyz s GLU 34 Ca 0.00 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 54.97 2oyz s GLU 34 Cb 0.00 -1.01 -0.02 0.00 0.26 0.00 0.00 34.13 33.37 2oyz s GLU 34 CO 0.00 0.14 -0.03 0.71 -0.54 0.00 0.00 175.26 175.54 2oyz s TYR 35 N 0.15 0.23 -0.09 5.30 2.02 -0.01 -4.99 117.35 119.95 2oyz s TYR 35 Ca -0.03 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 2oyz s TYR 35 Cb -0.09 -0.16 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 2oyz s TYR 35 CO 0.01 -0.15 -0.19 0.99 -1.57 0.00 0.00 175.55 174.64 2oyz s THR 36 N -1.17 2.52 0.01 -0.71 2.01 -1.26 -0.74 115.64 116.30 2oyz s THR 36 Ca -0.13 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.07 2oyz s THR 36 Cb -0.08 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2oyz s THR 36 CO -0.01 0.55 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.91 2oyz s PHE 37 N 0.08 1.83 0.03 4.92 0.08 -0.12 -5.00 117.98 119.80 2oyz s PHE 37 Ca -0.09 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.61 2oyz s PHE 37 Cb -0.15 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 2oyz s PHE 37 CO 0.05 0.02 0.14 0.20 -0.10 0.00 0.00 175.22 175.53 2oyz s GLY 38 N -0.77 2.10 0.03 4.36 0.00 -1.26 -0.86 107.32 110.92 2oyz s GLY 38 Ca 0.08 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.98 2oyz s GLY 38 CO 0.00 -0.81 -0.14 -0.51 0.00 0.00 0.00 173.10 171.65 2oyz s THR 39 N -1.35 3.11 0.00 0.90 -4.23 0.25 -4.93 115.64 109.40 2oyz s THR 39 Ca 0.29 -1.04 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2oyz s THR 39 Cb -0.12 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2oyz s THR 39 CO 0.21 0.35 0.00 0.00 -0.54 0.00 0.00 174.62 174.64 2oyz n GLN 40 N 1.53 0.00 -1.70 3.99 6.02 -1.26 -1.56 117.38 124.39 2oyz n GLN 40 Ca -0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.51 2oyz n GLN 40 Cb 0.52 -0.02 0.05 0.00 1.02 0.00 0.00 30.24 31.81 2oyz n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2oyz s ALA 41 N -3.19 2.48 0.83 -1.58 0.00 -1.26 -0.21 121.76 118.83 2oyz s ALA 41 Ca 0.00 0.46 -0.12 0.00 0.00 0.00 0.00 51.96 52.30 2oyz s ALA 41 Cb 0.00 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.93 2oyz s ALA 41 CO 0.00 -1.30 1.17 -2.14 0.00 0.00 0.00 175.76 173.50 2oyz s PRO 42 N -4.27 1.53 0.07 0.00 0.02 -1.26 -4.41 135.00 126.68 2oyz s PRO 42 Ca 0.65 1.64 0.05 0.00 0.02 0.00 0.00 61.00 63.36 2oyz s PRO 42 Cb -0.19 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 2oyz s PRO 42 CO 0.44 -2.27 -0.15 -1.21 -0.33 0.00 0.00 177.00 173.48 2oyz s GLU 43 N -4.35 0.84 0.51 5.54 2.02 -1.01 -4.50 118.70 117.75 2oyz s GLU 43 Ca 0.70 -0.95 0.03 0.00 0.02 0.00 0.00 54.97 54.77 2oyz s GLU 43 Cb -0.26 -0.86 -0.01 0.00 0.10 0.00 0.00 34.13 33.10 2oyz s GLU 43 CO 0.53 0.19 0.10 0.50 0.02 0.00 0.00 175.26 176.60 2oyz s ARG 44 N -1.70 2.20 -0.29 1.61 3.52 0.06 -1.45 118.95 122.90 2oyz s ARG 44 Ca -0.01 -2.28 -0.19 0.00 -0.13 0.00 0.00 55.73 53.12 2oyz s ARG 44 Cb -0.10 -1.68 0.17 0.00 -1.56 0.00 0.00 34.95 31.78 2oyz s ARG 44 CO 0.02 -0.40 1.16 0.99 -0.81 0.00 0.00 175.30 176.27 2oyz s THR 46 N -2.84 0.00 -0.28 4.11 2.01 0.13 -0.96 115.64 117.81 2oyz s THR 46 Ca 0.15 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.87 2oyz s THR 46 Cb 0.01 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.53 2oyz s THR 46 CO 0.08 0.00 1.00 -0.69 -0.69 0.00 0.00 174.62 174.33 2oyz s VAL 47 N 0.86 4.63 -0.14 3.82 1.01 -0.02 -0.31 120.40 130.25 2oyz s VAL 47 Ca -0.04 1.74 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 2oyz s VAL 47 Cb -0.04 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 31.77 2oyz s VAL 47 CO -0.12 -0.32 0.65 0.58 0.00 0.00 0.00 175.10 175.89 2oyz h VAL 48 N 5.60 1.50 -2.27 2.92 2.07 -1.24 0.17 116.25 124.99 2oyz h VAL 48 Ca -0.21 -2.34 -0.05 0.00 0.82 0.00 0.00 66.70 64.92 2oyz h VAL 48 Cb 1.07 3.06 -0.25 0.00 -1.52 0.00 0.00 31.29 33.64 2oyz h VAL 48 CO 0.98 0.57 -0.31 -0.75 0.02 0.00 0.00 177.57 178.08 2oyz s LYS 49 N -2.30 0.40 0.00 1.57 2.47 -1.04 -4.28 119.74 116.56 2oyz s LYS 49 Ca -0.20 1.11 0.00 0.00 -1.56 0.00 0.00 55.97 55.32 2oyz s LYS 49 Cb 0.00 0.43 0.00 0.00 -1.46 0.00 0.00 37.83 36.80 2oyz s LYS 49 CO 0.70 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 176.34 2oyz n GLY 50 N 5.41 0.17 3.60 5.54 0.00 -1.26 -1.16 105.19 117.47 2oyz n GLY 50 Ca -0.09 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 2oyz n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oyz s ALA 51 N -1.69 -1.79 -0.04 4.61 0.00 -1.26 -2.13 121.76 119.47 2oyz s ALA 51 Ca 0.00 1.80 0.07 0.00 0.00 0.00 0.00 51.96 53.82 2oyz s ALA 51 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2oyz s ALA 51 CO 0.00 -0.34 -0.24 -0.51 0.00 0.00 0.00 175.76 174.67 2oyz s LEU 52 N -0.14 2.04 -0.25 0.00 1.43 -0.06 -4.56 118.68 117.15 2oyz s LEU 52 Ca -0.03 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2oyz s LEU 52 Cb -0.03 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 2oyz s LEU 52 CO 0.04 0.26 0.06 -0.69 0.23 0.00 0.00 176.35 176.25 2oyz s VAL 53 N -0.33 4.18 -0.05 -1.59 1.01 -0.30 -0.80 120.40 122.51 2oyz s VAL 53 Ca 0.02 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2oyz s VAL 53 Cb -0.11 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2oyz s VAL 53 CO 0.01 0.32 -0.21 -0.69 0.00 0.00 0.00 175.10 174.54 2oyz s VAL 54 N 1.59 2.49 -0.16 2.92 1.01 0.56 -0.28 120.40 128.54 2oyz s VAL 54 Ca 0.06 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2oyz s VAL 54 Cb -0.15 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.34 2oyz s VAL 54 CO 0.03 0.58 -0.01 -0.75 0.00 0.00 0.00 175.10 174.94 2oyz s LYS 55 N -0.43 0.97 0.47 2.72 2.20 -0.31 -0.83 119.74 124.53 2oyz s LYS 55 Ca 0.04 -0.35 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 2oyz s LYS 55 Cb -0.12 -1.82 -0.08 0.00 -1.51 0.00 0.00 37.83 34.31 2oyz s LYS 55 CO 0.02 -0.48 0.91 1.03 -0.36 0.00 0.00 175.35 176.46 2oyz s ARG 56 N 1.79 3.91 0.32 4.03 0.52 -1.26 -0.79 118.95 127.46 2oyz s ARG 56 Ca 0.01 0.80 0.08 0.00 -0.52 0.00 0.00 55.73 56.10 2oyz s ARG 56 Cb -0.15 -2.23 0.91 0.00 0.52 0.00 0.00 34.95 34.00 2oyz s ARG 56 CO -0.07 -0.17 1.64 -0.24 0.02 0.00 0.00 175.30 176.48 2oyz h VAL 57 N 1.06 0.27 -0.70 3.52 3.04 -1.86 -1.24 116.25 120.34 2oyz h VAL 57 Ca -0.47 -0.08 -0.39 0.00 -1.01 0.00 0.00 66.70 64.75 2oyz h VAL 57 Cb 1.18 0.02 -0.21 0.00 -2.01 0.00 0.00 31.29 30.27 2oyz h VAL 57 CO 0.62 0.04 0.49 0.61 -1.01 0.00 0.00 177.57 178.33 2oyz n GLY 58 N -1.34 3.98 3.29 3.17 0.00 -1.26 -4.96 105.19 108.06 2oyz n GLY 58 Ca 0.27 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 2oyz n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oyz s GLU 59 N -2.39 2.20 0.09 1.61 2.02 -0.47 -5.02 118.70 116.74 2oyz s GLU 59 Ca 0.41 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.50 2oyz s GLU 59 Cb 0.34 -2.03 -0.25 0.00 0.10 0.00 0.00 34.13 32.28 2oyz s GLU 59 CO 0.06 0.49 1.18 0.00 0.02 0.00 0.00 175.26 177.01 2oyz h ALA 60 N 5.69 0.21 -2.40 5.21 0.00 -1.93 -3.46 119.26 122.58 2oyz h ALA 60 Ca -0.39 -0.91 -0.58 0.00 0.00 0.00 0.00 54.91 53.03 2oyz h ALA 60 Cb 1.14 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 2oyz h ALA 60 CO 0.47 1.10 -0.68 -0.51 0.00 0.00 0.00 179.25 179.62 2oyz s ASP 61 N -6.96 4.30 0.11 0.00 1.01 -1.26 -5.13 116.67 108.74 2oyz s ASP 61 Ca -0.02 -0.70 -0.11 0.00 0.71 0.00 0.00 52.55 52.44 2oyz s ASP 61 Cb 0.08 -0.72 -0.06 0.00 1.01 0.00 0.00 42.92 43.23 2oyz s ASP 61 CO 0.86 0.03 0.45 0.26 0.21 0.00 0.00 175.17 176.98 2oyz s TRP 62 N -2.20 3.57 -0.08 4.23 0.52 -1.26 -4.58 118.94 119.14 2oyz s TRP 62 Ca 0.29 0.85 0.02 0.00 0.02 0.00 0.00 56.10 57.28 2oyz s TRP 62 Cb -0.07 -2.21 0.02 0.00 -1.15 0.00 0.00 33.47 30.06 2oyz s TRP 62 CO 0.18 0.47 -0.12 0.99 0.02 0.00 0.00 176.95 178.50 2oyz s THR 63 N -1.46 1.16 -0.17 2.01 2.01 -0.01 -4.90 115.64 114.28 2oyz s THR 63 Ca 0.36 -0.46 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 2oyz s THR 63 Cb -0.14 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2oyz s THR 63 CO 0.19 0.37 0.61 -0.89 -0.69 0.00 0.00 174.62 174.21 2oyz s THR 64 N 0.87 5.05 -0.15 -0.82 2.01 -1.26 -0.32 115.64 121.03 2oyz s THR 64 Ca -0.10 1.18 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 2oyz s THR 64 Cb -0.15 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2oyz s THR 64 CO 0.01 0.17 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.71 2oyz s TYR 65 N 1.53 2.89 0.56 4.92 1.51 0.02 -4.99 117.35 123.79 2oyz s TYR 65 Ca 0.29 -0.57 0.07 0.00 -1.01 0.00 0.00 57.07 55.86 2oyz s TYR 65 Cb -0.16 -1.90 0.06 0.00 -0.11 0.00 0.00 41.96 39.85 2oyz s TYR 65 CO 0.11 -0.19 0.55 -1.54 -1.11 0.00 0.00 175.55 173.37 2oyz s SER 66 N 0.46 4.79 0.05 2.29 1.04 -1.26 -0.88 113.70 120.19 2oyz s SER 66 Ca -0.07 -1.12 -0.37 0.00 0.48 0.00 0.00 55.95 54.87 2oyz s SER 66 Cb -0.15 0.40 -0.16 0.00 0.10 0.00 0.00 66.02 66.21 2oyz s SER 66 CO 0.04 -1.21 1.40 -1.20 0.98 0.00 0.00 173.24 173.26 2oyz n SER 67 N -1.95 1.85 0.00 7.02 7.64 -0.90 -1.23 113.62 126.05 2oyz n SER 67 Ca 0.05 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.04 2oyz n SER 67 Cb 0.63 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2oyz n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2oyz n GLY 68 N 2.77 1.95 3.86 0.23 0.00 0.59 -5.02 105.19 109.57 2oyz n GLY 68 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2oyz n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oyz s GLU 69 N -0.56 3.90 0.16 1.61 2.02 -0.36 -4.84 118.70 120.62 2oyz s GLU 69 Ca 0.00 0.46 0.08 0.00 0.02 0.00 0.00 54.97 55.52 2oyz s GLU 69 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 2oyz s GLU 69 CO 0.00 0.25 -0.17 -1.12 0.02 0.00 0.00 175.26 174.24 2oyz s SER 70 N -2.31 2.51 -0.01 -0.19 0.01 -1.26 -0.84 113.70 111.60 2oyz s SER 70 Ca 0.50 -0.87 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 2oyz s SER 70 Cb -0.11 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 65.99 2oyz s SER 70 CO 0.19 -0.08 0.13 0.72 0.41 0.00 0.00 173.24 174.62 2oyz s PHE 71 N -2.21 0.00 -0.02 2.43 -0.71 -1.26 -5.01 117.98 111.20 2oyz s PHE 71 Ca 0.15 -0.02 -0.03 0.00 -1.04 0.00 0.00 56.93 55.99 2oyz s PHE 71 Cb -0.05 -0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 2oyz s PHE 71 CO 0.06 -0.23 0.17 -0.51 -1.34 0.00 0.00 175.22 173.36 2oyz s ASP 72 N -1.04 6.28 -0.03 1.98 1.01 -1.26 -4.45 116.67 119.15 2oyz s ASP 72 Ca -0.11 0.33 0.06 0.00 0.71 0.00 0.00 52.55 53.54 2oyz s ASP 72 Cb -0.06 -1.96 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 2oyz s ASP 72 CO 0.01 0.28 -0.21 0.54 0.21 0.00 0.00 175.17 176.00 2oyz s VAL 73 N -1.28 2.51 0.87 -1.27 0.11 -0.53 -5.01 120.40 115.80 2oyz s VAL 73 Ca 0.26 -0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 58.27 2oyz s VAL 73 Cb -0.12 -1.93 0.12 0.00 -1.53 0.00 0.00 36.38 32.92 2oyz s VAL 73 CO 0.17 0.58 1.14 -1.61 -3.33 0.00 0.00 175.10 172.06 2oyz s GLU 74 N -0.65 1.37 0.94 1.54 2.02 -1.26 -2.39 118.70 120.27 2oyz s GLU 74 Ca 0.10 1.49 -0.15 0.00 0.02 0.00 0.00 54.97 56.43 2oyz s GLU 74 Cb -0.10 -1.77 0.17 0.00 0.10 0.00 0.00 34.13 32.53 2oyz s GLU 74 CO -0.00 -2.36 1.24 0.20 0.02 0.00 0.00 175.26 174.35 2oyz s GLY 75 N -2.77 1.69 -1.43 -1.39 0.00 -1.26 -4.31 107.32 97.85 2oyz s GLY 75 Ca 0.66 -0.95 -0.09 0.00 0.00 0.00 0.00 44.72 44.34 2oyz s GLY 75 CO 0.56 -0.27 0.97 -2.01 0.00 0.00 0.00 173.10 172.36 2oyz n ASN 76 N -3.77 -4.24 -0.47 1.64 5.15 0.71 -4.90 115.26 109.38 2oyz n ASN 76 Ca 0.12 -0.72 0.00 0.00 -0.60 0.00 0.00 54.58 53.38 2oyz n ASN 76 Cb 0.60 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 2oyz n ASN 76 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2oyz n SER 77 N -2.94 0.00 -3.83 1.20 2.88 -0.60 -4.98 113.62 105.35 2oyz n SER 77 Ca -0.06 -0.47 -0.09 0.00 -1.33 0.00 0.00 58.87 56.92 2oyz n SER 77 Cb 0.57 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 2oyz n SER 77 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2oyz s SER 78 N 0.35 -0.18 -0.02 -3.46 1.04 -1.26 0.88 113.70 111.05 2oyz s SER 78 Ca 0.00 -0.64 -0.19 0.00 0.48 0.00 0.00 55.95 55.61 2oyz s SER 78 Cb 0.00 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2oyz s SER 78 CO 0.00 -1.06 0.40 0.72 0.98 0.00 0.00 173.24 174.28 2oyz s PHE 79 N -3.92 -0.29 -0.04 5.02 -0.71 -0.04 -2.33 117.98 115.66 2oyz s PHE 79 Ca 0.13 0.45 -0.00 0.00 -1.04 0.00 0.00 56.93 56.47 2oyz s PHE 79 Cb -0.00 0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2oyz s PHE 79 CO 0.00 -0.45 0.02 -2.00 -1.34 0.00 0.00 175.22 171.45 2oyz s GLU 80 N -1.38 2.93 -0.07 1.99 2.12 0.03 -0.94 118.70 123.37 2oyz s GLU 80 Ca -0.12 -0.49 0.05 0.00 0.36 0.00 0.00 54.97 54.76 2oyz s GLU 80 Cb -0.04 -2.77 -0.00 0.00 0.26 0.00 0.00 34.13 31.58 2oyz s GLU 80 CO 0.05 0.67 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.70 2oyz s LEU 81 N -1.28 2.02 -0.17 2.70 1.43 0.08 -1.16 118.68 122.30 2oyz s LEU 81 Ca 0.17 -0.49 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 2oyz s LEU 81 Cb -0.12 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 2oyz s LEU 81 CO 0.07 0.18 0.07 -1.10 0.23 0.00 0.00 176.35 175.81 2oyz s GLN 82 N 0.11 3.83 -0.22 1.70 -0.21 0.62 -0.83 119.66 124.65 2oyz s GLN 82 Ca -0.10 -0.31 -0.01 0.00 0.02 0.00 0.00 55.36 54.96 2oyz s GLN 82 Cb -0.15 -3.19 0.02 0.00 1.00 0.00 0.00 33.01 30.69 2oyz s GLN 82 CO 0.05 0.39 -0.09 0.08 -2.12 0.00 0.00 175.29 173.60 2oyz s VAL 83 N 0.05 2.78 -0.08 1.09 1.01 0.04 -1.15 120.40 124.15 2oyz s VAL 83 Ca 0.06 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.23 2oyz s VAL 83 Cb -0.12 -2.33 -0.24 0.00 0.00 0.00 0.00 36.38 33.69 2oyz s VAL 83 CO 0.01 0.33 0.54 0.29 0.00 0.00 0.00 175.10 176.27 2oyz n LYS 84 N 4.68 0.67 -4.04 2.72 4.76 -1.26 -1.58 118.16 124.11 2oyz n LYS 84 Ca -0.18 0.27 -0.13 0.00 -2.87 0.00 0.00 58.31 55.41 2oyz n LYS 84 Cb 0.49 -1.75 -0.12 0.00 -1.84 0.00 0.00 35.03 31.80 2oyz n LYS 84 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2oyz s ASP 85 N -6.35 0.56 0.15 4.39 1.01 -1.26 -4.77 116.67 110.39 2oyz s ASP 85 Ca -0.10 -0.36 -0.34 0.00 0.71 0.00 0.00 52.55 52.45 2oyz s ASP 85 Cb 0.07 0.02 -0.15 0.00 1.01 0.00 0.00 42.92 43.88 2oyz s ASP 85 CO 0.81 -0.14 1.41 0.00 0.21 0.00 0.00 175.17 177.46 2oyz n ALA 86 N 2.04 0.23 -2.98 5.23 0.00 -1.26 -4.65 120.51 119.13 2oyz n ALA 86 Ca -0.19 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 2oyz n ALA 86 Cb 0.56 -2.20 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 2oyz n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2oyz s THR 87 N 0.47 0.28 0.03 0.00 2.01 -1.26 -4.78 115.64 112.38 2oyz s THR 87 Ca 0.78 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 62.58 2oyz s THR 87 Cb -0.79 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 2oyz s THR 87 CO 0.45 0.10 0.34 0.00 -0.69 0.00 0.00 174.62 174.81 2oyz s ALA 88 N 0.14 3.78 0.13 7.40 0.00 -0.31 -4.28 121.76 128.62 2oyz s ALA 88 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 2oyz s ALA 88 Cb -0.04 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2oyz s ALA 88 CO -0.00 0.59 0.08 1.52 0.00 0.00 0.00 175.76 177.94 2oyz s TYR 89 N -1.29 0.82 -0.02 0.00 1.13 -0.21 -0.74 117.35 117.04 2oyz s TYR 89 Ca 0.29 -1.19 0.05 0.00 -1.41 0.00 0.00 57.07 54.81 2oyz s TYR 89 Cb -0.14 -0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 40.27 2oyz s TYR 89 CO 0.16 -0.54 -0.17 -1.17 -2.51 0.00 0.00 175.55 171.32 2oyz s LEU 90 N -3.04 2.00 -0.08 -3.49 2.96 0.58 -1.49 118.68 116.12 2oyz s LEU 90 Ca 0.23 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2oyz s LEU 90 Cb 0.07 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.87 2oyz s LEU 90 CO 0.02 0.20 -0.12 0.00 -1.32 0.00 0.00 176.35 175.12 2oyz s GLU 92 N 0.89 1.68 -0.06 0.00 2.02 -0.13 -1.47 118.70 121.63 2oyz s GLU 92 Ca -0.10 -1.89 0.18 0.00 0.02 0.00 0.00 54.97 53.18 2oyz s GLU 92 Cb -0.15 -1.26 -0.28 0.00 0.10 0.00 0.00 34.13 32.54 2oyz s GLU 92 CO 0.01 -0.01 0.33 0.66 0.02 0.00 0.00 175.26 176.28 2oyz n TYR 93 N -0.70 0.00 0.00 1.61 4.01 -1.26 -0.76 117.16 120.06 2oyz n TYR 93 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 2oyz n TYR 93 Cb 0.65 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 2oyz n TYR 93 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87