#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f8o s PRO 5 N 0.00 3.39 0.20 -0.78 0.04 -1.26 -4.96 135.00 131.62 2f8o s PRO 5 Ca 0.00 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.56 2f8o s PRO 5 Cb 0.00 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 2f8o s PRO 5 CO 0.00 -0.87 0.90 0.21 0.04 0.00 0.00 177.00 177.28 2f8o s LYS 6 N -3.03 4.75 -0.08 4.56 2.20 0.72 -4.89 119.74 123.97 2f8o s LYS 6 Ca 0.70 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.70 2f8o s LYS 6 Cb -0.29 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 2f8o s LYS 6 CO 0.34 0.48 -0.06 0.42 -0.36 0.00 0.00 175.35 176.17 2f8o s ILE 7 N -0.98 0.78 -0.08 5.43 1.01 -1.26 -1.39 121.20 124.72 2f8o s ILE 7 Ca 0.40 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.89 2f8o s ILE 7 Cb -0.25 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.42 2f8o s ILE 7 CO 0.30 0.31 -0.14 -1.10 0.00 0.00 0.00 174.94 174.30 2f8o s GLN 8 N 1.38 2.00 -0.15 2.79 -0.21 -0.25 -4.98 119.66 120.24 2f8o s GLN 8 Ca -0.03 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.86 2f8o s GLN 8 Cb -0.14 -1.65 0.00 0.00 1.00 0.00 0.00 33.01 32.23 2f8o s GLN 8 CO -0.03 0.02 -0.18 0.08 -2.12 0.00 0.00 175.29 173.06 2f8o s VAL 9 N 0.73 2.43 0.09 1.09 1.01 -1.26 -0.40 120.40 124.09 2f8o s VAL 9 Ca -0.13 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 2f8o s VAL 9 Cb -0.16 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.27 2f8o s VAL 9 CO 0.03 0.53 0.56 -0.72 0.00 0.00 0.00 175.10 175.49 2f8o s TYR 10 N 0.86 -0.47 0.27 5.22 -0.85 -0.54 -4.62 117.35 117.22 2f8o s TYR 10 Ca -0.05 0.43 -0.05 0.00 -0.52 0.00 0.00 57.07 56.87 2f8o s TYR 10 Cb -0.15 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.56 2f8o s TYR 10 CO -0.02 -0.73 0.53 -1.54 -1.52 0.00 0.00 175.55 172.28 2f8o s SER 11 N -2.28 6.47 0.11 -0.18 1.04 -1.26 -0.50 113.70 117.10 2f8o s SER 11 Ca -0.03 0.72 -0.18 0.00 0.48 0.00 0.00 55.95 56.94 2f8o s SER 11 Cb -0.00 -2.14 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 2f8o s SER 11 CO -0.06 -0.15 1.69 -0.09 0.98 0.00 0.00 173.24 175.60 2f8o h ARG 12 N 1.90 0.40 -6.05 4.02 2.43 -1.48 -3.44 114.38 112.15 2f8o h ARG 12 Ca -0.47 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.02 2f8o h ARG 12 Cb 1.18 -0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 30.53 2f8o h ARG 12 CO 0.67 0.39 -0.70 -1.01 -1.51 0.00 0.00 179.97 177.81 2f8o s HIS 13 N -5.70 2.38 0.19 2.20 3.76 -1.26 -5.05 115.29 111.81 2f8o s HIS 13 Ca -0.13 -0.42 -0.32 0.00 -0.15 0.00 0.00 55.06 54.03 2f8o s HIS 13 Cb 0.09 -1.24 -0.15 0.00 1.11 0.00 0.00 32.58 32.39 2f8o s HIS 13 CO 0.72 0.63 1.23 -2.30 -0.85 0.00 0.00 174.74 174.16 2f8o n PRO 14 N -0.74 1.41 -2.05 8.40 -0.02 -1.26 -4.86 135.00 135.88 2f8o n PRO 14 Ca -0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 2f8o n PRO 14 Cb 0.62 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 2f8o n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f8o s ALA 15 N -0.18 3.68 -0.10 3.55 0.00 -1.26 -5.02 121.76 122.42 2f8o s ALA 15 Ca 0.71 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.92 2f8o s ALA 15 Cb -0.79 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 18.78 2f8o s ALA 15 CO 0.52 -0.70 -0.07 -1.21 0.00 0.00 0.00 175.76 174.30 2f8o s GLU 16 N 0.92 1.42 0.22 0.00 2.02 -1.26 -5.11 118.70 116.90 2f8o s GLU 16 Ca 0.66 -0.22 -0.32 0.00 0.02 0.00 0.00 54.97 55.11 2f8o s GLU 16 Cb -0.40 -1.50 -0.13 0.00 0.10 0.00 0.00 34.13 32.20 2f8o s GLU 16 CO 0.32 -0.25 1.62 0.09 0.02 0.00 0.00 175.26 177.06 2f8o n ASN 17 N 4.89 3.59 0.00 -0.19 3.02 -1.26 -1.68 115.26 123.62 2f8o n ASN 17 Ca -0.13 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2f8o n ASN 17 Cb 0.50 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 2f8o n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f8o n GLY 18 N 3.22 1.27 3.52 7.41 0.00 0.25 -5.00 105.19 115.86 2f8o n GLY 18 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2f8o n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f8o s LYS 19 N -0.36 3.42 0.42 1.61 1.02 -0.68 -4.97 119.74 120.21 2f8o s LYS 19 Ca 0.00 -0.53 -0.25 0.00 0.02 0.00 0.00 55.97 55.21 2f8o s LYS 19 Cb 0.00 -2.82 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2f8o s LYS 19 CO 0.00 0.36 1.25 0.45 -0.92 0.00 0.00 175.35 176.48 2f8o n SER 20 N 3.17 2.42 -1.92 2.83 2.88 -1.26 -4.16 113.62 117.58 2f8o n SER 20 Ca -0.18 1.10 -0.05 0.00 -1.33 0.00 0.00 58.87 58.41 2f8o n SER 20 Cb 0.53 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 62.51 2f8o n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2f8o n ASN 21 N 0.21 -1.10 -4.09 -3.46 2.85 0.11 -5.00 115.26 104.77 2f8o n ASN 21 Ca 0.07 -1.83 -0.25 0.00 -0.11 0.00 0.00 54.58 52.47 2f8o n ASN 21 Cb 0.40 1.86 -0.16 0.00 1.24 0.00 0.00 39.78 43.11 2f8o n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2f8o s PHE 22 N -5.34 1.51 -0.14 1.20 0.40 -1.26 -1.12 117.98 113.23 2f8o s PHE 22 Ca 0.09 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 2f8o s PHE 22 Cb -0.02 -1.04 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 2f8o s PHE 22 CO 0.07 -0.16 0.19 -1.17 0.70 0.00 0.00 175.22 174.84 2f8o s LEU 23 N 0.12 4.32 -0.01 -0.37 2.96 0.13 -1.06 118.68 124.78 2f8o s LEU 23 Ca -0.04 0.45 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 2f8o s LEU 23 Cb -0.11 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.39 2f8o s LEU 23 CO 0.02 0.28 -0.17 0.20 -1.32 0.00 0.00 176.35 175.36 2f8o s ASN 24 N -0.38 2.04 -0.20 3.68 0.01 0.34 -1.68 114.94 118.74 2f8o s ASN 24 Ca 0.14 -0.33 0.01 0.00 -0.71 0.00 0.00 52.86 51.96 2f8o s ASN 24 Cb -0.12 -0.22 0.05 0.00 0.41 0.00 0.00 41.25 41.36 2f8o s ASN 24 CO 0.03 0.20 -0.09 0.00 -1.51 0.00 0.00 177.10 175.73 2f8o s TYR 26 N 1.40 3.17 -0.13 0.00 5.04 0.47 -1.20 117.35 126.09 2f8o s TYR 26 Ca -0.02 -0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.39 2f8o s TYR 26 Cb -0.17 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.82 2f8o s TYR 26 CO -0.08 -0.31 -0.21 0.08 -1.34 0.00 0.00 175.55 173.70 2f8o s VAL 27 N 1.68 1.95 0.04 3.14 1.01 -0.19 -1.09 120.40 126.95 2f8o s VAL 27 Ca 0.06 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 2f8o s VAL 27 Cb -0.16 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2f8o s VAL 27 CO 0.08 0.53 0.00 -0.94 0.00 0.00 0.00 175.10 174.77 2f8o s SER 28 N 0.84 0.35 0.00 3.32 1.04 -0.48 -0.39 113.70 118.37 2f8o s SER 28 Ca -0.07 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2f8o s SER 28 Cb -0.15 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2f8o s SER 28 CO -0.02 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2f8o n GLY 29 N 0.62 -0.54 3.16 7.32 0.00 -0.85 -0.20 105.19 114.69 2f8o n GLY 29 Ca -0.18 -0.85 -0.25 0.00 0.00 0.00 0.00 46.02 44.75 2f8o n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f8o s PHE 30 N -3.37 1.55 -0.37 1.61 0.40 -1.26 -1.20 117.98 115.34 2f8o s PHE 30 Ca 0.00 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.90 2f8o s PHE 30 Cb 0.00 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.54 2f8o s PHE 30 CO 0.00 -0.04 0.45 0.72 0.70 0.00 0.00 175.22 177.05 2f8o n HIS 31 N 2.72 -3.27 -0.31 0.36 8.25 0.51 -4.94 115.22 118.54 2f8o n HIS 31 Ca -0.15 1.34 -0.01 0.00 -0.26 0.00 0.00 57.72 58.64 2f8o n HIS 31 Cb 0.54 -3.86 0.11 0.00 1.12 0.00 0.00 29.99 27.90 2f8o n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f8o h ALA 32 N 1.98 1.13 -0.49 -1.41 0.00 -1.91 -3.46 119.26 115.10 2f8o h ALA 32 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2f8o h ALA 32 Cb 0.76 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2f8o h ALA 32 CO 0.17 0.38 0.00 0.45 0.00 0.00 0.00 179.25 180.24 2f8o n SER 33 N -4.56 0.00 -1.89 0.00 2.88 -1.26 -1.45 113.62 107.34 2f8o n SER 33 Ca 0.11 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.46 2f8o n SER 33 Cb 0.10 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.64 2f8o n SER 33 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2f8o n ASP 34 N 4.33 4.96 -4.73 -3.46 5.75 -1.26 -5.00 116.55 117.15 2f8o n ASP 34 Ca 0.00 -3.14 -0.42 0.00 -0.01 0.00 0.00 54.79 51.21 2f8o n ASP 34 Cb 0.00 -0.86 -0.01 0.00 -1.03 0.00 0.00 41.12 39.22 2f8o n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2f8o n ILE 35 N -0.33 1.47 -4.27 2.12 0.13 -0.53 -4.66 119.36 113.28 2f8o n ILE 35 Ca 0.39 -0.37 -0.20 0.00 -1.10 0.00 0.00 62.75 61.47 2f8o n ILE 35 Cb 0.97 -1.79 -0.16 0.00 -0.84 0.00 0.00 39.64 37.82 2f8o n ILE 35 CO 0.00 0.00 0.00 -0.70 2.80 0.00 0.00 176.55 178.65 2f8o s GLU 36 N -1.19 0.94 -0.03 9.51 2.12 -0.37 -4.99 118.70 124.69 2f8o s GLU 36 Ca 0.60 -0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.76 2f8o s GLU 36 Cb -0.54 -0.89 0.01 0.00 0.26 0.00 0.00 34.13 32.97 2f8o s GLU 36 CO 0.56 -0.01 -0.08 0.08 -0.54 0.00 0.00 175.26 175.27 2f8o s VAL 37 N 0.64 0.68 -0.01 3.70 1.01 -1.26 -1.54 120.40 123.63 2f8o s VAL 37 Ca -0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 2f8o s VAL 37 Cb -0.13 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 2f8o s VAL 37 CO 0.01 0.22 0.10 -1.81 0.00 0.00 0.00 175.10 173.62 2f8o s ASP 38 N 0.30 0.03 -0.12 3.32 1.01 -0.30 -5.00 116.67 115.91 2f8o s ASP 38 Ca -0.04 -0.16 -0.07 0.00 0.71 0.00 0.00 52.55 52.99 2f8o s ASP 38 Cb -0.09 0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.99 2f8o s ASP 38 CO 0.00 -0.27 0.13 -0.76 0.21 0.00 0.00 175.17 174.49 2f8o s LEU 39 N -1.04 4.35 0.03 1.23 1.43 -1.26 -0.39 118.68 123.04 2f8o s LEU 39 Ca -0.11 0.44 0.09 0.00 -1.03 0.00 0.00 54.13 53.52 2f8o s LEU 39 Cb -0.06 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2f8o s LEU 39 CO 0.01 0.39 -0.25 -0.76 0.23 0.00 0.00 176.35 175.97 2f8o s LEU 40 N -0.94 2.14 -0.19 1.79 1.43 0.23 -0.82 118.68 122.33 2f8o s LEU 40 Ca 0.14 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2f8o s LEU 40 Cb -0.12 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.88 2f8o s LEU 40 CO 0.04 0.26 -0.17 -0.75 0.23 0.00 0.00 176.35 175.95 2f8o s LYS 41 N -1.09 2.74 -1.57 1.70 2.20 0.34 -1.79 119.74 122.26 2f8o s LYS 41 Ca 0.11 -0.87 -0.13 0.00 -0.36 0.00 0.00 55.97 54.72 2f8o s LYS 41 Cb -0.10 -2.55 0.10 0.00 -1.51 0.00 0.00 37.83 33.77 2f8o s LYS 41 CO 0.01 -0.28 0.81 0.09 -0.36 0.00 0.00 175.35 175.63 2f8o n ASN 42 N 4.62 -3.35 0.00 1.43 3.02 0.91 -1.32 115.26 120.56 2f8o n ASN 42 Ca -0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 2f8o n ASN 42 Cb 0.49 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 2f8o n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2f8o n GLY 43 N -1.61 1.33 3.67 7.41 0.00 -1.26 -5.03 105.19 109.71 2f8o n GLY 43 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2f8o n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f8o s GLU 44 N -0.04 3.21 0.26 1.61 2.02 -0.44 -5.03 118.70 120.30 2f8o s GLU 44 Ca 0.00 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 2f8o s GLU 44 Cb 0.00 -2.88 -0.12 0.00 0.10 0.00 0.00 34.13 31.23 2f8o s GLU 44 CO 0.00 0.61 1.65 -2.13 0.02 0.00 0.00 175.26 175.41 2f8o n ARG 45 N 2.44 2.76 -2.93 1.61 0.63 -1.26 -0.51 116.66 119.40 2f8o n ARG 45 Ca -0.18 0.99 -0.41 0.00 -0.92 0.00 0.00 57.85 57.33 2f8o n ARG 45 Cb 0.53 -2.80 -0.04 0.00 0.45 0.00 0.00 32.46 30.60 2f8o n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2f8o s ILE 46 N 0.46 4.98 0.06 5.15 1.01 0.00 -4.85 121.20 128.01 2f8o s ILE 46 Ca 0.68 1.64 -0.15 0.00 0.00 0.00 0.00 60.65 62.82 2f8o s ILE 46 Cb -0.49 -4.13 -0.27 0.00 0.01 0.00 0.00 42.46 37.58 2f8o s ILE 46 CO 0.42 0.20 1.13 -0.08 0.00 0.00 0.00 174.94 176.60 2f8o h GLU 47 N 6.84 0.64 -2.74 2.79 4.57 -1.93 -3.37 114.58 121.39 2f8o h GLU 47 Ca -0.39 -0.79 -0.75 0.00 -1.18 0.00 0.00 59.36 56.25 2f8o h GLU 47 Cb 1.19 0.25 -0.13 0.00 -0.16 0.00 0.00 28.75 29.90 2f8o h GLU 47 CO 0.76 1.35 2.31 0.36 -1.18 0.00 0.00 179.01 182.61 2f8o n LYS 48 N -3.85 4.48 -4.55 1.92 2.85 -1.26 -4.90 118.16 112.85 2f8o n LYS 48 Ca -0.13 -3.51 -0.34 0.00 -1.05 0.00 0.00 58.31 53.28 2f8o n LYS 48 Cb 0.93 -2.67 -0.12 0.00 -0.65 0.00 0.00 35.03 32.52 2f8o n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2f8o s VAL 49 N -1.03 3.64 0.40 0.58 1.01 -1.26 -4.60 120.40 119.14 2f8o s VAL 49 Ca 0.51 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.11 2f8o s VAL 49 Cb 0.17 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 2f8o s VAL 49 CO -0.08 0.53 0.11 -1.61 0.00 0.00 0.00 175.10 174.05 2f8o s GLU 50 N 0.02 2.14 0.02 2.72 0.41 -0.40 -4.95 118.70 118.66 2f8o s GLU 50 Ca -0.01 -1.90 -0.14 0.00 -0.41 0.00 0.00 54.97 52.52 2f8o s GLU 50 Cb -0.14 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.35 2f8o s GLU 50 CO 0.03 -0.06 0.29 -3.38 -0.49 0.00 0.00 175.26 171.65 2f8o s HIS 51 N -2.62 -0.11 -0.11 1.61 -3.43 -1.26 -0.97 115.29 108.41 2f8o s HIS 51 Ca 0.39 0.04 0.04 0.00 -0.80 0.00 0.00 55.06 54.73 2f8o s HIS 51 Cb 0.05 0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 2f8o s HIS 51 CO 0.21 -0.46 -0.24 -1.12 -2.00 0.00 0.00 174.74 171.14 2f8o s SER 52 N -1.81 3.11 -0.09 7.38 0.01 -0.18 -4.98 113.70 117.13 2f8o s SER 52 Ca -0.08 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2f8o s SER 52 Cb -0.02 -1.42 0.01 0.00 0.21 0.00 0.00 66.02 64.79 2f8o s SER 52 CO -0.01 0.15 -0.20 -1.81 0.41 0.00 0.00 173.24 171.78 2f8o s ASP 53 N 0.41 2.69 -0.06 2.44 1.11 -1.26 -1.09 116.67 120.91 2f8o s ASP 53 Ca -0.17 -0.48 0.04 0.00 0.18 0.00 0.00 52.55 52.11 2f8o s ASP 53 Cb -0.18 -1.23 0.00 0.00 1.07 0.00 0.00 42.92 42.58 2f8o s ASP 53 CO 0.07 0.11 -0.17 -0.22 1.18 0.00 0.00 175.17 176.14 2f8o s LEU 54 N 0.50 1.87 0.03 1.23 2.96 -0.12 -5.01 118.68 120.13 2f8o s LEU 54 Ca -0.16 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 2f8o s LEU 54 Cb -0.17 -1.04 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 2f8o s LEU 54 CO 0.06 0.12 0.13 -0.94 -1.32 0.00 0.00 176.35 174.40 2f8o s SER 55 N 0.31 0.10 -0.09 3.68 1.04 -1.26 -0.47 113.70 117.01 2f8o s SER 55 Ca -0.11 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 55.91 2f8o s SER 55 Cb -0.14 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.24 2f8o s SER 55 CO 0.04 -0.49 -0.08 -0.36 0.98 0.00 0.00 173.24 173.33 2f8o s PHE 56 N -2.32 1.36 0.16 5.02 0.08 -0.64 -5.01 117.98 116.63 2f8o s PHE 56 Ca -0.07 -0.59 0.21 0.00 0.12 0.00 0.00 56.93 56.59 2f8o s PHE 56 Cb -0.03 -1.10 0.80 0.00 -0.57 0.00 0.00 43.02 42.12 2f8o s PHE 56 CO -0.03 -0.39 1.78 0.66 -0.10 0.00 0.00 175.22 177.14 2f8o h SER 57 N 7.69 0.00 -0.45 1.36 4.64 -1.94 -0.42 113.55 124.43 2f8o h SER 57 Ca -0.30 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.10 2f8o h SER 57 Cb 1.15 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.16 2f8o h SER 57 CO 0.43 0.31 -0.09 0.50 -0.87 0.00 0.00 176.83 177.10 2f8o h LYS 58 N 0.00 0.02 -0.05 4.77 1.63 -1.96 -3.07 116.57 117.91 2f8o h LYS 58 Ca -0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2f8o h LYS 58 Cb 0.82 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 2f8o h LYS 58 CO 0.04 0.01 0.00 -0.40 -3.45 0.00 0.00 179.45 175.65 2f8o n ASP 59 N -5.31 1.86 -2.30 4.20 5.75 -1.24 -5.00 116.55 114.52 2f8o n ASP 59 Ca 0.03 -1.71 -0.19 0.00 -0.01 0.00 0.00 54.79 52.91 2f8o n ASP 59 Cb 0.24 -0.03 -0.02 0.00 -1.03 0.00 0.00 41.12 40.28 2f8o n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2f8o n TRP 60 N -0.17 -0.96 -2.51 2.11 7.02 -0.20 -4.76 117.44 117.97 2f8o n TRP 60 Ca 0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.17 2f8o n TRP 60 Cb 0.21 -3.68 -0.04 0.00 -2.42 0.00 0.00 31.31 25.39 2f8o n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2f8o s SER 61 N -2.12 6.45 0.00 -0.99 1.04 -1.01 -0.37 113.70 116.71 2f8o s SER 61 Ca 0.00 1.79 -0.03 0.00 0.48 0.00 0.00 55.95 58.19 2f8o s SER 61 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2f8o s SER 61 CO 0.00 -0.70 0.05 0.72 0.98 0.00 0.00 173.24 174.29 2f8o s PHE 62 N -2.21 0.10 -0.13 5.02 -0.12 -0.34 -1.62 117.98 118.67 2f8o s PHE 62 Ca 0.64 -0.20 -0.04 0.00 -0.05 0.00 0.00 56.93 57.28 2f8o s PHE 62 Cb -0.13 -0.08 0.05 0.00 -0.63 0.00 0.00 43.02 42.22 2f8o s PHE 62 CO 0.23 -0.18 0.09 0.71 -0.05 0.00 0.00 175.22 176.02 2f8o s TYR 63 N -1.01 0.13 -0.06 3.49 1.51 0.38 -2.01 117.35 119.78 2f8o s TYR 63 Ca -0.11 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 55.91 2f8o s TYR 63 Cb -0.07 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2f8o s TYR 63 CO 0.00 -0.41 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.28 2f8o s LEU 64 N 2.16 2.13 -0.24 -1.29 1.43 0.47 -0.94 118.68 122.40 2f8o s LEU 64 Ca 0.03 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2f8o s LEU 64 Cb -0.15 -1.39 0.06 0.00 0.03 0.00 0.00 46.19 44.74 2f8o s LEU 64 CO -0.07 0.25 -0.09 -0.22 0.23 0.00 0.00 176.35 176.46 2f8o s LEU 65 N -0.21 2.91 -0.20 1.79 2.96 -0.25 -1.02 118.68 124.66 2f8o s LEU 65 Ca -0.02 -1.24 -0.10 0.00 -0.22 0.00 0.00 54.13 52.55 2f8o s LEU 65 Cb -0.13 -1.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.16 2f8o s LEU 65 CO 0.03 -0.20 0.14 -0.31 -1.32 0.00 0.00 176.35 174.69 2f8o s TYR 66 N 1.27 3.40 0.04 5.38 1.51 -0.34 -1.01 117.35 127.59 2f8o s TYR 66 Ca -0.07 0.33 -0.09 0.00 -1.01 0.00 0.00 57.07 56.24 2f8o s TYR 66 Cb -0.19 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 2f8o s TYR 66 CO -0.06 0.27 0.18 1.52 -1.11 0.00 0.00 175.55 176.34 2f8o s TYR 67 N 0.43 0.08 -0.12 2.71 -0.85 -0.14 -0.66 117.35 118.81 2f8o s TYR 67 Ca 0.08 -0.32 -0.18 0.00 -0.52 0.00 0.00 57.07 56.13 2f8o s TYR 67 Cb -0.11 -0.05 0.04 0.00 0.38 0.00 0.00 41.96 42.22 2f8o s TYR 67 CO -0.01 -0.42 0.45 -0.08 -1.52 0.00 0.00 175.55 173.97 2f8o s THR 68 N -2.59 0.01 0.27 -3.49 -1.32 -0.68 -1.27 115.64 106.58 2f8o s THR 68 Ca -0.05 -0.12 -0.29 0.00 -1.21 0.00 0.00 61.69 60.02 2f8o s THR 68 Cb -0.01 -0.69 -0.09 0.00 -1.51 0.00 0.00 72.50 70.20 2f8o s THR 68 CO -0.04 -0.07 1.21 -0.70 -2.21 0.00 0.00 174.62 172.81 2f8o s GLU 69 N -0.33 4.49 0.14 7.08 2.12 -1.26 -0.69 118.70 130.25 2f8o s GLU 69 Ca -0.05 1.98 -0.14 0.00 0.36 0.00 0.00 54.97 57.12 2f8o s GLU 69 Cb -0.03 -3.16 0.02 0.00 0.26 0.00 0.00 34.13 31.22 2f8o s GLU 69 CO 0.03 -0.02 0.37 -0.59 -0.54 0.00 0.00 175.26 174.51 2f8o s PHE 70 N -0.82 -0.05 -0.44 5.30 -0.00 -0.27 -4.87 117.98 116.84 2f8o s PHE 70 Ca 0.49 -0.30 0.02 0.00 -0.00 0.00 0.00 56.93 57.13 2f8o s PHE 70 Cb -0.35 0.19 0.12 0.00 -0.00 0.00 0.00 43.02 42.97 2f8o s PHE 70 CO 0.44 -0.72 0.18 0.99 -0.00 0.00 0.00 175.22 176.11 2f8o s THR 71 N -3.85 2.74 0.58 -4.49 2.01 -1.26 -0.71 115.64 110.65 2f8o s THR 71 Ca 0.06 -2.62 -0.20 0.00 0.31 0.00 0.00 61.69 59.24 2f8o s THR 71 Cb 0.02 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2f8o s THR 71 CO -0.09 -0.70 1.31 -2.16 -0.69 0.00 0.00 174.62 172.29 2f8o s PRO 72 N 0.52 2.97 0.26 4.92 0.04 -1.26 -4.72 135.00 137.73 2f8o s PRO 72 Ca 0.13 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.29 2f8o s PRO 72 Cb -0.22 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 2f8o s PRO 72 CO -0.05 -1.29 0.11 0.95 0.04 0.00 0.00 177.00 176.76 2f8o s THR 73 N -1.38 0.47 0.28 1.26 -4.23 -1.26 -0.58 115.64 110.20 2f8o s THR 73 Ca 0.75 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 2f8o s THR 73 Cb -0.38 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 70.92 2f8o s THR 73 CO 0.43 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.14 2f8o h GLU 74 N 2.38 0.49 0.00 3.99 4.57 -1.98 -3.28 114.58 120.76 2f8o h GLU 74 Ca -0.37 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 57.59 2f8o h GLU 74 Cb 1.25 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2f8o h GLU 74 CO 0.59 0.71 -0.65 1.57 -1.18 0.00 0.00 179.01 180.05 2f8o h LYS 75 N 0.43 0.00 -6.08 1.92 2.10 -2.01 -3.47 116.57 109.47 2f8o h LYS 75 Ca 0.06 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 58.13 2f8o h LYS 75 Cb 0.68 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.96 2f8o h LYS 75 CO 0.05 0.07 -0.08 -0.51 -2.00 0.00 0.00 179.45 176.98 2f8o s ASP 76 N -5.79 6.93 -0.16 7.07 1.01 -1.24 -5.06 116.67 119.43 2f8o s ASP 76 Ca 0.02 1.11 -0.04 0.00 0.71 0.00 0.00 52.55 54.35 2f8o s ASP 76 Cb 0.08 -2.33 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 2f8o s ASP 76 CO 0.75 0.21 -0.03 -0.70 0.21 0.00 0.00 175.17 175.61 2f8o s GLU 77 N -0.64 3.68 0.18 8.23 2.12 -1.26 -4.77 118.70 126.24 2f8o s GLU 77 Ca 0.28 -0.51 0.09 0.00 0.36 0.00 0.00 54.97 55.19 2f8o s GLU 77 Cb -0.18 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2f8o s GLU 77 CO 0.16 0.22 -0.12 0.71 -0.54 0.00 0.00 175.26 175.69 2f8o s TYR 78 N 0.43 2.58 0.27 5.30 1.51 -1.26 -0.06 117.35 126.11 2f8o s TYR 78 Ca -0.03 -0.24 -0.20 0.00 -1.01 0.00 0.00 57.07 55.59 2f8o s TYR 78 Cb -0.14 -1.27 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2f8o s TYR 78 CO 0.03 0.50 0.68 0.00 -1.11 0.00 0.00 175.55 175.64 2f8o s ALA 79 N -1.64 -1.11 -0.08 3.71 0.00 -0.74 -0.72 121.76 121.17 2f8o s ALA 79 Ca 0.24 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2f8o s ALA 79 Cb -0.09 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2f8o s ALA 79 CO 0.14 -1.00 -0.21 0.00 0.00 0.00 0.00 175.76 174.69 2f8o s ARG 81 N 0.33 3.74 -0.07 0.00 3.52 0.48 -0.67 118.95 126.28 2f8o s ARG 81 Ca -0.15 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2f8o s ARG 81 Cb -0.17 -3.09 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 2f8o s ARG 81 CO 0.07 0.14 -0.14 0.08 -0.81 0.00 0.00 175.30 174.64 2f8o s VAL 82 N 0.67 1.27 -0.05 7.11 1.01 0.23 -1.15 120.40 129.50 2f8o s VAL 82 Ca 0.01 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2f8o s VAL 82 Cb -0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2f8o s VAL 82 CO 0.02 0.38 -0.24 0.21 0.00 0.00 0.00 175.10 175.47 2f8o s ASN 83 N 0.57 2.97 0.04 3.32 2.47 -0.59 -0.12 114.94 123.61 2f8o s ASN 83 Ca -0.14 -0.49 -0.18 0.00 0.42 0.00 0.00 52.86 52.46 2f8o s ASN 83 Cb -0.16 -0.74 0.04 0.00 -1.45 0.00 0.00 41.25 38.94 2f8o s ASN 83 CO 0.04 0.25 0.42 -2.28 -3.72 0.00 0.00 177.10 171.81 2f8o s HIS 84 N -0.21 -0.28 0.39 0.43 5.65 -1.26 -1.24 115.29 118.77 2f8o s HIS 84 Ca -0.02 0.25 0.11 0.00 0.25 0.00 0.00 55.06 55.65 2f8o s HIS 84 Cb -0.13 0.23 0.90 0.00 -1.18 0.00 0.00 32.58 32.40 2f8o s HIS 84 CO 0.03 -0.58 1.93 -0.24 -0.65 0.00 0.00 174.74 175.23 2f8o h VAL 85 N 3.00 0.89 0.00 0.89 3.04 -1.90 -0.98 116.25 121.19 2f8o h VAL 85 Ca -0.31 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 2f8o h VAL 85 Cb 1.21 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2f8o h VAL 85 CO 0.43 0.11 0.00 0.35 -1.01 0.00 0.00 177.57 177.45 2f8o n THR 86 N -4.50 0.14 -4.25 3.17 -2.24 -1.26 -4.72 114.28 100.63 2f8o n THR 86 Ca 0.13 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.60 2f8o n THR 86 Cb 0.39 -0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 67.85 2f8o n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2f8o s LEU 87 N -2.28 3.50 0.29 3.22 1.43 -0.37 -4.84 118.68 119.62 2f8o s LEU 87 Ca 0.29 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2f8o s LEU 87 Cb 0.16 -1.86 0.44 0.00 0.03 0.00 0.00 46.19 44.96 2f8o s LEU 87 CO 0.31 0.19 1.88 0.77 0.23 0.00 0.00 176.35 179.73 2f8o h SER 88 N 6.57 0.80 -5.14 2.29 4.64 -1.84 -3.45 113.55 117.42 2f8o h SER 88 Ca -0.35 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 2f8o h SER 88 Cb 1.18 -0.21 -0.14 0.00 -0.31 0.00 0.00 62.40 62.92 2f8o h SER 88 CO 0.65 0.72 -0.35 0.00 -0.87 0.00 0.00 176.83 176.98 2f8o s GLN 89 N -5.42 0.84 0.31 4.77 -2.07 -1.26 -5.14 119.66 111.69 2f8o s GLN 89 Ca -0.10 -0.89 -0.28 0.00 -1.82 0.00 0.00 55.36 52.27 2f8o s GLN 89 Cb 0.16 0.35 -0.13 0.00 -1.09 0.00 0.00 33.01 32.30 2f8o s GLN 89 CO 0.79 -0.27 1.17 -2.30 -1.32 0.00 0.00 175.29 173.36 2f8o n PRO 90 N 0.03 1.75 -3.86 9.60 -0.02 -1.26 -4.92 135.00 136.32 2f8o n PRO 90 Ca -0.16 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 2f8o n PRO 90 Cb 0.62 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2f8o n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2f8o s LYS 91 N -1.63 3.88 -0.23 -0.52 2.20 0.83 -4.92 119.74 119.36 2f8o s LYS 91 Ca 0.58 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2f8o s LYS 91 Cb -0.64 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 32.43 2f8o s LYS 91 CO 0.60 0.45 -0.12 0.42 -0.36 0.00 0.00 175.35 176.35 2f8o s ILE 92 N -0.09 2.48 -0.25 5.43 1.01 -1.26 -0.60 121.20 127.92 2f8o s ILE 92 Ca 0.09 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.59 2f8o s ILE 92 Cb -0.12 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 2f8o s ILE 92 CO 0.00 0.27 0.01 -0.69 0.00 0.00 0.00 174.94 174.54 2f8o s VAL 93 N 1.27 3.62 0.31 2.92 1.01 0.15 -4.95 120.40 124.74 2f8o s VAL 93 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 2f8o s VAL 93 Cb -0.16 -2.75 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 2f8o s VAL 93 CO -0.07 0.27 1.03 -0.75 0.00 0.00 0.00 175.10 175.58 2f8o s LYS 94 N 1.48 4.55 -0.15 2.72 2.20 -1.26 -0.96 119.74 128.31 2f8o s LYS 94 Ca 0.04 1.58 -0.29 0.00 -0.36 0.00 0.00 55.97 56.94 2f8o s LYS 94 Cb -0.16 -2.97 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 2f8o s LYS 94 CO -0.01 0.19 1.45 -0.46 -0.36 0.00 0.00 175.35 176.16 2f8o s TRP 95 N -1.38 2.44 -0.59 4.03 -0.00 0.10 -4.91 118.94 118.63 2f8o s TRP 95 Ca 0.48 0.67 -0.20 0.00 -0.00 0.00 0.00 56.10 57.05 2f8o s TRP 95 Cb -0.26 -3.75 0.09 0.00 -0.00 0.00 0.00 33.47 29.55 2f8o s TRP 95 CO 0.33 -2.57 0.77 -0.51 -0.00 0.00 0.00 176.95 174.96 2f8o s ASP 96 N 2.86 6.19 0.00 5.86 1.01 -1.26 -4.76 116.67 126.57 2f8o s ASP 96 Ca 0.63 -1.20 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2f8o s ASP 96 Cb -0.25 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2f8o s ASP 96 CO 0.22 -1.17 0.00 -1.14 0.21 0.00 0.00 175.17 173.30