#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pla s GLU 2 N 0.00 3.99 -0.29 0.00 2.02 -1.26 -2.24 118.70 120.92 1pla s GLU 2 Ca 0.00 -0.30 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 1pla s GLU 2 Cb 0.00 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1pla s GLU 2 CO 0.00 -0.10 0.23 0.08 0.02 0.00 0.00 175.26 175.50 1pla s VAL 3 N 1.52 5.28 -0.38 2.63 1.01 -0.13 -4.47 120.40 125.85 1pla s VAL 3 Ca 0.07 0.19 -0.20 0.00 0.00 0.00 0.00 61.98 62.03 1pla s VAL 3 Cb -0.15 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1pla s VAL 3 CO 0.09 0.19 0.63 -0.54 0.00 0.00 0.00 175.10 175.47 1pla s LYS 4 N 1.82 3.55 -0.46 2.72 1.02 0.16 -0.27 119.74 128.28 1pla s LYS 4 Ca 0.08 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.69 1pla s LYS 4 Cb -0.16 -3.85 0.03 0.00 -0.52 0.00 0.00 37.83 33.32 1pla s LYS 4 CO 0.11 -0.82 1.15 -0.51 -0.92 0.00 0.00 175.35 174.36 1pla s LEU 5 N 2.73 3.65 0.00 3.17 1.02 0.38 -2.57 118.68 127.06 1pla s LEU 5 Ca 0.24 0.53 0.00 0.00 0.02 0.00 0.00 54.13 54.92 1pla s LEU 5 Cb -0.14 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.52 1pla s LEU 5 CO 0.16 -1.24 0.00 0.61 0.02 0.00 0.00 176.35 175.90 1pla n GLY 6 N 4.79 0.23 3.43 -3.19 0.00 -1.11 -2.73 105.19 106.60 1pla n GLY 6 Ca 0.12 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 1pla n GLY 6 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pla s SER 7 N 0.00 0.30 0.24 1.61 1.04 -0.73 -3.89 113.70 112.27 1pla s SER 7 Ca 0.00 1.30 -0.06 0.00 0.48 0.00 0.00 55.95 57.68 1pla s SER 7 Cb 0.00 -1.99 0.34 0.00 0.10 0.00 0.00 66.02 64.47 1pla s SER 7 CO 0.00 -4.59 1.82 0.44 0.98 0.00 0.00 173.24 171.89 1pla h ASP 8 N -2.89 0.70 0.00 7.02 5.19 -1.93 -3.40 116.42 121.12 1pla h ASP 8 Ca -0.58 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1pla h ASP 8 Cb 1.34 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1pla h ASP 8 CO 0.45 0.43 0.00 -0.90 -3.12 0.00 0.00 179.24 176.10 1pla n ASP 9 N -4.71 0.00 -0.06 6.45 5.75 -1.26 -4.95 116.55 117.77 1pla n ASP 9 Ca 0.12 -0.94 -0.15 0.00 -0.01 0.00 0.00 54.79 53.81 1pla n ASP 9 Cb 0.22 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 1pla n ASP 9 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pla h GLY 10 N 0.00 0.70 0.00 6.12 0.00 -1.96 -3.50 103.07 104.43 1pla h GLY 10 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1pla h GLY 10 CO 0.00 0.75 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1pla n GLY 11 N 0.42 -0.10 3.31 4.60 0.00 -1.26 -5.02 105.19 107.14 1pla n GLY 11 Ca -0.06 -1.17 -0.46 0.00 0.00 0.00 0.00 46.02 44.34 1pla n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pla s LEU 12 N 0.00 6.15 0.06 0.99 1.43 -1.26 -1.77 118.68 124.29 1pla s LEU 12 Ca 0.00 -1.76 -0.08 0.00 -1.03 0.00 0.00 54.13 51.26 1pla s LEU 12 Cb 0.00 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1pla s LEU 12 CO 0.00 -0.84 0.15 0.68 0.23 0.00 0.00 176.35 176.57 1pla s VAL 13 N 1.60 0.14 -0.43 -1.59 -7.23 -1.26 -4.15 120.40 107.47 1pla s VAL 13 Ca 0.03 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.75 1pla s VAL 13 Cb -0.30 -1.18 0.02 0.00 0.56 0.00 0.00 36.38 35.48 1pla s VAL 13 CO 0.03 -0.64 1.17 -0.36 -0.31 0.00 0.00 175.10 174.99 1pla s PHE 14 N -3.35 2.81 -0.32 2.82 0.40 -1.26 -2.75 117.98 116.33 1pla s PHE 14 Ca 0.01 0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 57.12 1pla s PHE 14 Cb 0.03 -4.28 0.06 0.00 0.51 0.00 0.00 43.02 39.34 1pla s PHE 14 CO -0.08 -1.30 0.03 -1.12 0.70 0.00 0.00 175.22 173.45 1pla s SER 15 N 2.53 4.93 1.00 1.36 0.01 -1.06 0.32 113.70 122.79 1pla s SER 15 Ca 0.50 -1.43 -0.12 0.00 1.31 0.00 0.00 55.95 56.20 1pla s SER 15 Cb -0.09 -1.72 0.19 0.00 0.21 0.00 0.00 66.02 64.61 1pla s SER 15 CO 0.29 -0.31 1.08 -2.16 0.41 0.00 0.00 173.24 172.55 1pla s PRO 16 N 1.21 0.39 -0.04 12.44 0.05 -1.26 0.35 135.00 148.14 1pla s PRO 16 Ca -0.02 0.76 -0.04 0.00 0.05 0.00 0.00 61.00 61.75 1pla s PRO 16 Cb -0.20 -1.71 -0.01 0.00 0.05 0.00 0.00 34.50 32.62 1pla s PRO 16 CO -0.02 -2.82 -0.07 0.45 0.05 0.00 0.00 177.00 174.58 1pla n SER 17 N -4.28 0.52 -4.34 6.66 2.88 0.15 -4.86 113.62 110.35 1pla n SER 17 Ca 0.06 0.22 -0.34 0.00 -1.33 0.00 0.00 58.87 57.47 1pla n SER 17 Cb 0.55 -0.58 -0.14 0.00 -0.75 0.00 0.00 64.21 63.29 1pla n SER 17 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1pla s SER 18 N -4.33 4.27 -0.14 -3.46 0.01 -1.26 -2.15 113.70 106.63 1pla s SER 18 Ca -0.06 -0.35 -0.23 0.00 1.31 0.00 0.00 55.95 56.62 1pla s SER 18 Cb 0.01 -1.71 0.06 0.00 0.21 0.00 0.00 66.02 64.58 1pla s SER 18 CO 0.09 0.04 0.59 0.72 0.41 0.00 0.00 173.24 175.09 1pla s PHE 19 N 1.09 -0.60 0.40 2.43 -0.71 -1.02 -5.00 117.98 114.57 1pla s PHE 19 Ca 0.01 1.29 -0.06 0.00 -1.04 0.00 0.00 56.93 57.13 1pla s PHE 19 Cb -0.15 0.26 -0.05 0.00 -1.21 0.00 0.00 43.02 41.88 1pla s PHE 19 CO -0.01 -0.41 0.70 0.95 -1.34 0.00 0.00 175.22 175.11 1pla s THR 20 N -0.35 4.92 0.25 -4.49 -4.23 -1.26 -2.18 115.64 108.30 1pla s THR 20 Ca -0.05 0.22 -0.08 0.00 -1.18 0.00 0.00 61.69 60.59 1pla s THR 20 Cb -0.03 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 1pla s THR 20 CO 0.04 -0.60 0.40 0.68 -0.54 0.00 0.00 174.62 174.60 1pla s VAL 21 N -2.44 0.00 0.34 2.29 -7.23 -0.26 -4.85 120.40 108.25 1pla s VAL 21 Ca 0.47 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.95 1pla s VAL 21 Cb -0.10 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.41 1pla s VAL 21 CO 0.37 0.00 0.72 0.00 -0.31 0.00 0.00 175.10 175.87 1pla s ALA 22 N -3.88 3.37 -0.95 1.32 0.00 -1.26 -0.51 121.76 119.85 1pla s ALA 22 Ca 0.27 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 1pla s ALA 22 Cb 0.01 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.35 1pla s ALA 22 CO 0.12 0.23 2.08 0.00 0.00 0.00 0.00 175.76 178.18 1pla n ALA 23 N -0.70 4.29 0.00 0.00 0.00 -1.26 -2.19 120.51 120.65 1pla n ALA 23 Ca 0.03 -2.93 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1pla n ALA 23 Cb 0.53 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.60 1pla n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 24 N 4.16 0.00 3.93 0.00 0.00 -1.25 -4.86 105.19 107.17 1pla n GLY 24 Ca 0.50 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 1pla n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 25 N 0.00 3.48 0.04 1.61 2.56 -0.93 -5.06 118.70 120.39 1pla s GLU 25 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 54.97 54.41 1pla s GLU 25 Cb 0.00 -2.92 -0.05 0.00 2.00 0.00 0.00 34.13 33.15 1pla s GLU 25 CO 0.00 0.48 0.36 0.15 -0.56 0.00 0.00 175.26 175.69 1pla s LYS 26 N -3.18 3.72 -0.46 4.30 1.02 -1.26 -4.28 119.74 119.60 1pla s LYS 26 Ca 0.36 0.13 -0.04 0.00 0.02 0.00 0.00 55.97 56.44 1pla s LYS 26 Cb -0.11 -3.06 0.12 0.00 -0.52 0.00 0.00 37.83 34.26 1pla s LYS 26 CO 0.29 0.61 0.27 0.42 -0.92 0.00 0.00 175.35 176.02 1pla s ILE 27 N -1.31 3.53 -0.34 2.17 -1.09 0.18 -3.56 121.20 120.77 1pla s ILE 27 Ca 0.29 -2.17 -0.19 0.00 -2.23 0.00 0.00 60.65 56.36 1pla s ILE 27 Cb -0.14 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.36 1pla s ILE 27 CO 0.16 -0.74 0.54 0.42 -1.23 0.00 0.00 174.94 174.09 1pla s THR 28 N 0.97 4.99 -0.22 2.92 -4.23 -0.95 -1.39 115.64 117.73 1pla s THR 28 Ca 0.09 0.46 -0.24 0.00 -1.18 0.00 0.00 61.69 60.82 1pla s THR 28 Cb -0.23 -3.97 -0.01 0.00 1.34 0.00 0.00 72.50 69.63 1pla s THR 28 CO -0.04 -0.20 0.81 -0.36 -0.54 0.00 0.00 174.62 174.30 1pla s PHE 29 N 2.46 3.34 -0.05 3.99 0.08 -0.84 -0.96 117.98 126.00 1pla s PHE 29 Ca 0.20 1.15 0.05 0.00 0.12 0.00 0.00 56.93 58.45 1pla s PHE 29 Cb -0.15 -3.02 -0.00 0.00 -0.57 0.00 0.00 43.02 39.27 1pla s PHE 29 CO 0.13 -0.34 -0.19 0.21 -0.10 0.00 0.00 175.22 174.93 1pla s LYS 30 N 2.59 1.98 -0.39 0.44 2.20 0.63 -0.96 119.74 126.24 1pla s LYS 30 Ca 0.35 -0.67 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 1pla s LYS 30 Cb -0.16 -1.69 0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1pla s LYS 30 CO 0.09 0.26 0.91 -0.80 -0.36 0.00 0.00 175.35 175.45 1pla s ASN 31 N 0.04 6.62 -0.17 1.43 0.01 -1.16 -0.47 114.94 121.24 1pla s ASN 31 Ca -0.05 0.44 0.17 0.00 -0.71 0.00 0.00 52.86 52.71 1pla s ASN 31 Cb -0.12 -2.45 -0.24 0.00 0.41 0.00 0.00 41.25 38.84 1pla s ASN 31 CO 0.03 -0.89 0.19 -3.20 -1.51 0.00 0.00 177.10 171.71 1pla n ASN 32 N 6.83 0.22 0.00 -1.22 5.15 -1.11 -3.82 115.26 121.31 1pla n ASN 32 Ca 0.06 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1pla n ASN 32 Cb 0.48 0.75 0.00 0.00 -0.53 0.00 0.00 39.78 40.48 1pla n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pla n ALA 33 N -2.72 0.00 0.00 5.20 0.00 -1.17 -5.01 120.51 116.82 1pla n ALA 33 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1pla n ALA 33 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.58 1pla n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 34 N 0.00 0.00 3.79 0.00 0.00 -1.26 -4.39 105.19 103.33 1pla n GLY 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pla n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pla s PHE 35 N 0.00 2.82 0.42 1.61 -0.71 -1.26 -4.44 117.98 116.43 1pla s PHE 35 Ca 0.00 1.30 -0.23 0.00 -1.04 0.00 0.00 56.93 56.96 1pla s PHE 35 Cb 0.00 -3.04 -0.09 0.00 -1.21 0.00 0.00 43.02 38.68 1pla s PHE 35 CO 0.00 -1.68 1.03 -1.25 -1.34 0.00 0.00 175.22 171.98 1pla s PRO 36 N -5.06 4.08 0.43 1.99 0.04 -1.26 -5.07 135.00 130.14 1pla s PRO 36 Ca 0.60 1.42 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1pla s PRO 36 Cb -0.15 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.03 1pla s PRO 36 CO 0.55 -0.20 0.24 0.72 0.04 0.00 0.00 177.00 178.35 1pla n HIS 37 N -0.37 -0.31 -3.59 0.56 8.25 -0.89 -4.96 115.22 113.91 1pla n HIS 37 Ca 0.06 -1.88 -0.13 0.00 -0.26 0.00 0.00 57.72 55.51 1pla n HIS 37 Cb 0.51 -0.33 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 1pla n HIS 37 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1pla s ASN 38 N -3.46 -0.58 -0.07 0.41 2.47 -1.26 -3.28 114.94 109.17 1pla s ASN 38 Ca 0.18 0.92 -0.00 0.00 0.42 0.00 0.00 52.86 54.37 1pla s ASN 38 Cb -0.01 0.87 0.03 0.00 -1.45 0.00 0.00 41.25 40.68 1pla s ASN 38 CO 0.11 -0.33 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.50 1pla s ILE 39 N -0.33 0.57 0.01 -5.21 1.09 -1.26 -3.78 121.20 112.29 1pla s ILE 39 Ca -0.02 -0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.48 1pla s ILE 39 Cb -0.03 -0.66 -0.01 0.00 -1.06 0.00 0.00 42.46 40.70 1pla s ILE 39 CO 0.01 0.28 0.00 -0.69 -0.10 0.00 0.00 174.94 174.44 1pla s VAL 40 N 1.60 0.07 -0.21 2.92 1.01 -0.93 -0.15 120.40 124.72 1pla s VAL 40 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 1pla s VAL 40 Cb -0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 1pla s VAL 40 CO -0.04 -0.32 0.13 -0.36 0.00 0.00 0.00 175.10 174.51 1pla s PHE 41 N -0.94 3.36 -0.05 5.22 0.40 -1.26 -2.25 117.98 122.46 1pla s PHE 41 Ca -0.10 0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 1pla s PHE 41 Cb -0.06 -2.18 -0.06 0.00 0.51 0.00 0.00 43.02 41.23 1pla s PHE 41 CO -0.00 0.20 1.66 0.34 0.70 0.00 0.00 175.22 178.12 1pla s ASP 42 N 0.57 6.66 0.00 1.36 2.15 -0.49 -4.85 116.67 122.07 1pla s ASP 42 Ca 0.07 2.25 0.13 0.00 0.43 0.00 0.00 52.55 55.43 1pla s ASP 42 Cb -0.12 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 40.59 1pla s ASP 42 CO 0.00 -0.93 1.36 -0.62 -0.17 0.00 0.00 175.17 174.81 1pla n GLU 43 N 7.15 0.12 -0.24 4.34 1.02 -1.26 -2.13 120.64 129.64 1pla n GLU 43 Ca 0.17 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.63 1pla n GLU 43 Cb 0.43 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.61 1pla n GLU 43 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1pla n ASP 44 N -1.36 3.23 -1.16 1.62 8.00 -1.26 -4.22 116.55 121.40 1pla n ASP 44 Ca 0.05 -1.96 0.01 0.00 0.71 0.00 0.00 54.79 53.60 1pla n ASP 44 Cb 0.12 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1pla n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pla n GLU 45 N 1.30 0.00 -4.64 -1.24 4.71 -0.91 -5.10 120.64 114.77 1pla n GLU 45 Ca 0.20 -1.49 -0.30 0.00 -0.01 0.00 0.00 57.16 55.56 1pla n GLU 45 Cb 0.54 0.02 -0.13 0.00 -1.01 0.00 0.00 31.44 30.86 1pla n GLU 45 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pla s VAL 46 N 0.00 2.39 0.43 2.62 1.01 -1.22 -3.92 120.40 121.72 1pla s VAL 46 Ca 0.19 -1.47 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 1pla s VAL 46 Cb 0.22 -2.00 -0.10 0.00 0.00 0.00 0.00 36.38 34.49 1pla s VAL 46 CO -0.09 0.25 1.01 -2.65 0.00 0.00 0.00 175.10 173.62 1pla n PRO 47 N 1.37 1.34 -1.51 2.72 -0.01 -1.26 -4.79 135.00 132.86 1pla n PRO 47 Ca -0.17 0.48 -0.41 0.00 -0.01 0.00 0.00 63.50 63.39 1pla n PRO 47 Cb 0.52 -2.06 -0.04 0.00 -0.01 0.00 0.00 33.50 31.91 1pla n PRO 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1pla n ALA 48 N -0.57 3.57 0.00 3.55 0.00 -1.26 -3.06 120.51 122.73 1pla n ALA 48 Ca 0.10 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.11 1pla n ALA 48 Cb 0.40 -3.59 0.00 0.00 0.00 0.00 0.00 19.45 16.26 1pla n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 49 N 4.69 -0.06 3.56 0.00 0.00 -1.26 -5.05 105.19 107.06 1pla n GLY 49 Ca 0.49 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 1pla n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pla s VAL 50 N 0.00 3.96 0.24 1.61 1.01 -1.17 -4.96 120.40 121.09 1pla s VAL 50 Ca 0.00 -1.01 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1pla s VAL 50 Cb 0.00 -5.08 -0.16 0.00 0.00 0.00 0.00 36.38 31.14 1pla s VAL 50 CO 0.00 -1.95 0.74 0.59 0.00 0.00 0.00 175.10 174.48 1pla n ASN 51 N 8.82 -0.09 0.21 3.32 3.02 -1.26 -4.77 115.26 124.51 1pla n ASN 51 Ca 0.37 1.15 0.10 0.00 -0.03 0.00 0.00 54.58 56.17 1pla n ASN 51 Cb 0.50 -1.11 0.14 0.00 -0.61 0.00 0.00 39.78 38.71 1pla n ASN 51 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pla h ALA 52 N 1.44 0.94 0.00 5.41 0.00 -1.93 -3.19 119.26 121.94 1pla h ALA 52 Ca -0.33 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1pla h ALA 52 Cb 1.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1pla h ALA 52 CO 0.58 0.11 -0.17 0.93 0.00 0.00 0.00 179.25 180.70 1pla h GLU 53 N 0.00 0.00 0.00 0.00 5.08 -1.92 0.27 114.58 118.01 1pla h GLU 53 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1pla h GLU 53 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1pla h GLU 53 CO 0.01 0.17 -0.47 0.87 -1.00 0.00 0.00 179.01 178.59 1pla h LYS 54 N 0.00 0.00 0.00 2.33 1.57 -1.92 -3.33 116.57 115.22 1pla h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pla h LYS 54 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1pla h LYS 54 CO 0.02 0.47 -1.36 0.44 -0.57 0.00 0.00 179.45 178.45 1pla n ILE 55 N -3.24 0.00 -1.27 1.86 -5.35 -1.15 -5.02 119.36 105.20 1pla n ILE 55 Ca 0.02 -0.25 -0.29 0.00 -0.27 0.00 0.00 62.75 61.96 1pla n ILE 55 Cb 0.71 0.36 0.18 0.00 -1.74 0.00 0.00 39.64 39.14 1pla n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pla s SER 56 N -3.09 2.60 -0.58 7.28 0.01 0.94 -4.94 113.70 115.92 1pla s SER 56 Ca -0.03 1.03 0.05 0.00 1.31 0.00 0.00 55.95 58.31 1pla s SER 56 Cb 0.07 -1.61 0.18 0.00 0.21 0.00 0.00 66.02 64.87 1pla s SER 56 CO 0.46 -3.12 0.47 0.00 0.41 0.00 0.00 173.24 171.46 1pla n GLN 57 N -4.15 1.27 0.04 12.44 6.02 0.79 -4.93 117.38 128.87 1pla n GLN 57 Ca 0.06 -3.98 0.03 0.00 -0.01 0.00 0.00 57.00 53.10 1pla n GLN 57 Cb 0.58 -2.01 0.17 0.00 1.02 0.00 0.00 30.24 30.00 1pla n GLN 57 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1pla n PRO 58 N 2.12 0.04 -3.41 -1.09 -0.02 -1.26 -4.29 135.00 127.09 1pla n PRO 58 Ca 0.24 0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 61.80 1pla n PRO 58 Cb 0.41 -1.62 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 1pla n PRO 58 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1pla s GLU 59 N -3.14 2.99 1.22 -0.52 2.02 -1.26 -5.06 118.70 114.95 1pla s GLU 59 Ca -0.00 -1.11 -0.18 0.00 0.02 0.00 0.00 54.97 53.69 1pla s GLU 59 Cb 0.02 -4.04 0.26 0.00 0.10 0.00 0.00 34.13 30.47 1pla s GLU 59 CO 0.07 -0.88 0.57 0.66 0.02 0.00 0.00 175.26 175.70 1pla n TYR 60 N 5.26 -2.64 -3.62 1.61 4.02 -1.26 -4.94 117.16 115.59 1pla n TYR 60 Ca -0.11 -0.31 -0.14 0.00 -0.01 0.00 0.00 57.90 57.33 1pla n TYR 60 Cb 0.46 -1.43 -0.06 0.00 -0.02 0.00 0.00 39.34 38.28 1pla n TYR 60 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1pla s LEU 61 N -3.99 0.12 0.00 7.72 0.05 -1.21 -5.03 118.68 116.35 1pla s LEU 61 Ca 0.54 0.20 0.00 0.00 0.05 0.00 0.00 54.13 54.93 1pla s LEU 61 Cb -0.12 1.94 0.00 0.00 -2.05 0.00 0.00 46.19 45.96 1pla s LEU 61 CO 0.51 -0.64 0.52 -0.46 -0.55 0.00 0.00 176.35 175.73 1pla n ASN 62 N 0.67 0.00 -4.69 1.48 6.94 -1.26 -2.10 115.26 116.31 1pla n ASN 62 Ca -0.19 -1.27 -0.42 0.00 -0.02 0.00 0.00 54.58 52.68 1pla n ASN 62 Cb 0.59 -0.05 -0.03 0.00 -2.36 0.00 0.00 39.78 37.93 1pla n ASN 62 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1pla s GLY 63 N -0.27 2.32 0.06 4.83 0.00 -1.26 -4.90 107.32 108.10 1pla s GLY 63 Ca 0.00 0.31 -0.31 0.00 0.00 0.00 0.00 44.72 44.72 1pla s GLY 63 CO 0.00 1.85 1.48 0.00 0.00 0.00 0.00 173.10 176.43 1pla s ALA 64 N 2.00 3.63 0.00 3.20 0.00 -1.26 -1.86 121.76 127.46 1pla s ALA 64 Ca 0.46 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1pla s ALA 64 Cb -0.18 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1pla s ALA 64 CO 0.17 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1pla n GLY 65 N 3.71 2.25 3.76 0.00 0.00 -1.25 -5.01 105.19 108.65 1pla n GLY 65 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1pla n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pla s GLU 66 N -0.33 3.72 0.21 1.61 2.56 -0.78 -4.74 118.70 120.96 1pla s GLU 66 Ca 0.00 2.11 -0.01 0.00 0.00 0.00 0.00 54.97 57.07 1pla s GLU 66 Cb 0.00 -2.56 -0.04 0.00 2.00 0.00 0.00 34.13 33.53 1pla s GLU 66 CO 0.00 -0.68 0.16 0.95 -0.56 0.00 0.00 175.26 175.13 1pla s THR 67 N -1.33 0.00 0.37 -1.70 -4.23 -1.26 -2.97 115.64 104.53 1pla s THR 67 Ca 0.62 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1pla s THR 67 Cb -0.37 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1pla s THR 67 CO 0.46 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.76 1pla n TYR 68 N -0.30 -0.36 -3.92 3.99 9.36 -0.13 -4.96 117.16 120.84 1pla n TYR 68 Ca 0.02 -2.75 -0.10 0.00 3.32 0.00 0.00 57.90 58.38 1pla n TYR 68 Cb 0.66 0.15 -0.12 0.00 -0.63 0.00 0.00 39.34 39.40 1pla n TYR 68 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1pla s GLU 69 N -3.47 0.22 -0.13 2.98 2.02 -1.26 -1.98 118.70 117.08 1pla s GLU 69 Ca 0.31 -0.34 -0.06 0.00 0.02 0.00 0.00 54.97 54.90 1pla s GLU 69 Cb 0.02 0.08 0.06 0.00 0.10 0.00 0.00 34.13 34.38 1pla s GLU 69 CO 0.22 -0.04 0.28 0.08 0.02 0.00 0.00 175.26 175.83 1pla s VAL 70 N -0.89 -0.17 -0.34 2.63 1.01 -0.49 -4.95 120.40 117.20 1pla s VAL 70 Ca -0.10 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1pla s VAL 70 Cb -0.06 -0.45 0.10 0.00 0.00 0.00 0.00 36.38 35.97 1pla s VAL 70 CO -0.00 0.07 0.06 -0.89 0.00 0.00 0.00 175.10 174.34 1pla s THR 71 N 1.68 2.14 0.57 3.92 2.01 -1.26 0.47 115.64 125.17 1pla s THR 71 Ca -0.06 -2.27 -0.09 0.00 0.31 0.00 0.00 61.69 59.58 1pla s THR 71 Cb -0.11 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1pla s THR 71 CO -0.09 -0.61 0.95 -0.76 -0.69 0.00 0.00 174.62 173.42 1pla s LEU 72 N 0.95 3.36 -0.32 4.42 1.43 -1.26 -5.01 118.68 122.26 1pla s LEU 72 Ca 0.11 1.27 0.17 0.00 -1.03 0.00 0.00 54.13 54.64 1pla s LEU 72 Cb -0.19 -4.29 0.45 0.00 0.03 0.00 0.00 46.19 42.19 1pla s LEU 72 CO -0.10 -0.77 1.28 0.35 0.23 0.00 0.00 176.35 177.34 1pla n THR 73 N -2.57 0.59 -3.48 5.49 -2.24 -1.26 -3.93 114.28 106.88 1pla n THR 73 Ca 0.04 -2.05 -0.23 0.00 -2.27 0.00 0.00 64.05 59.55 1pla n THR 73 Cb 0.54 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.71 1pla n THR 73 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pla s GLU 74 N -1.71 0.24 -0.41 -0.78 0.41 -1.26 -5.02 118.70 110.16 1pla s GLU 74 Ca 0.20 -0.28 -0.41 0.00 -0.41 0.00 0.00 54.97 54.07 1pla s GLU 74 Cb 0.40 -0.98 -0.16 0.00 -1.78 0.00 0.00 34.13 31.60 1pla s GLU 74 CO -0.07 -0.98 2.00 1.63 -0.49 0.00 0.00 175.26 177.36 1pla n LYS 75 N 5.28 0.53 0.00 1.61 4.01 -1.26 -4.64 118.16 123.69 1pla n LYS 75 Ca -0.04 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1pla n LYS 75 Cb 0.45 -1.89 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 1pla n LYS 75 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1pla n GLY 76 N 6.08 -0.79 2.91 0.72 0.00 -0.75 -4.94 105.19 108.43 1pla n GLY 76 Ca 0.42 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1pla n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pla s THR 77 N -4.00 -0.11 0.30 2.61 -4.23 -1.26 -1.67 115.64 107.27 1pla s THR 77 Ca 0.00 0.23 0.09 0.00 -1.18 0.00 0.00 61.69 60.83 1pla s THR 77 Cb 0.00 -0.27 -0.05 0.00 1.34 0.00 0.00 72.50 73.52 1pla s THR 77 CO 0.00 0.09 0.00 -0.31 -0.54 0.00 0.00 174.62 173.87 1pla s TYR 78 N 1.51 2.62 -0.14 3.99 1.51 -1.07 -4.51 117.35 121.25 1pla s TYR 78 Ca -0.06 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1pla s TYR 78 Cb -0.12 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.46 1pla s TYR 78 CO -0.06 0.55 -0.05 0.15 -1.11 0.00 0.00 175.55 175.04 1pla s LYS 79 N -3.69 1.29 0.22 -0.62 -0.14 -1.25 -2.72 119.74 112.83 1pla s LYS 79 Ca 0.33 -0.35 0.09 0.00 -1.36 0.00 0.00 55.97 54.68 1pla s LYS 79 Cb -0.04 -1.76 -0.05 0.00 -1.68 0.00 0.00 37.83 34.30 1pla s LYS 79 CO 0.20 -0.38 -0.17 -0.59 -0.76 0.00 0.00 175.35 173.64 1pla s PHE 80 N 1.72 1.94 0.17 3.18 -0.71 0.81 -1.40 117.98 123.70 1pla s PHE 80 Ca 0.02 -0.47 -0.20 0.00 -1.04 0.00 0.00 56.93 55.24 1pla s PHE 80 Cb -0.14 -0.89 0.07 0.00 -1.21 0.00 0.00 43.02 40.85 1pla s PHE 80 CO -0.08 0.48 0.98 2.48 -1.34 0.00 0.00 175.22 177.74 1pla n TYR 81 N -0.33 -1.30 -4.06 3.49 4.11 -0.96 0.27 117.16 118.38 1pla n TYR 81 Ca -0.08 -1.19 -0.35 0.00 -0.00 0.00 0.00 57.90 56.28 1pla n TYR 81 Cb 0.60 0.58 -0.13 0.00 -0.00 0.00 0.00 39.34 40.39 1pla n TYR 81 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pla h GLU 83 N 7.54 0.57 -0.25 0.00 5.08 -1.91 0.52 114.58 126.14 1pla h GLU 83 Ca -0.36 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 1pla h GLU 83 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1pla h GLU 83 CO 0.61 0.54 0.00 -1.00 -1.00 0.00 0.00 179.01 178.16 1pla h PRO 84 N 0.47 0.43 -0.59 2.33 0.14 -1.95 -2.96 132.00 129.87 1pla h PRO 84 Ca 0.13 -0.14 0.00 0.00 0.14 0.00 0.00 66.00 66.13 1pla h PRO 84 Cb 0.18 -0.04 0.00 0.00 0.14 0.00 0.00 31.00 31.28 1pla h PRO 84 CO -0.01 0.60 0.00 0.72 0.14 0.00 0.00 178.00 179.45 1pla n HIS 85 N -4.64 0.95 0.75 1.56 8.25 -1.22 -4.17 115.22 116.71 1pla n HIS 85 Ca -0.04 -0.38 0.06 0.00 -0.26 0.00 0.00 57.72 57.11 1pla n HIS 85 Cb 0.24 -0.17 0.36 0.00 1.12 0.00 0.00 29.99 31.54 1pla n HIS 85 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pla n ALA 86 N 0.66 1.92 0.16 -1.41 0.00 0.17 -1.45 120.51 120.56 1pla n ALA 86 Ca 0.17 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1pla n ALA 86 Cb 0.61 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 1pla n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pla n GLY 87 N -0.22 -1.21 0.12 0.00 0.00 -1.26 -4.24 105.19 98.38 1pla n GLY 87 Ca 0.09 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1pla n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pla h ALA 88 N 2.12 0.54 0.00 4.61 0.00 -1.57 -3.48 119.26 121.49 1pla h ALA 88 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.50 1pla h ALA 88 Cb 0.94 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1pla h ALA 88 CO 0.00 1.40 0.00 0.41 0.00 0.00 0.00 179.25 181.06 1pla n GLY 89 N 1.83 0.93 3.52 0.00 0.00 -1.14 -5.08 105.19 105.25 1pla n GLY 89 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1pla n GLY 89 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pla s MET 90 N 0.00 3.36 0.26 1.61 0.00 -1.16 -4.85 119.30 118.52 1pla s MET 90 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 55.69 54.94 1pla s MET 90 Cb 0.00 -4.68 -0.05 0.00 0.00 0.00 0.00 34.83 30.10 1pla s MET 90 CO 0.00 -2.06 -0.11 -1.59 0.00 0.00 0.00 175.02 171.26 1pla s LYS 91 N 4.80 1.52 -0.02 4.11 -2.85 -1.26 -2.64 119.74 123.39 1pla s LYS 91 Ca 0.36 -1.73 -0.05 0.00 -1.00 0.00 0.00 55.97 53.55 1pla s LYS 91 Cb -0.06 -1.28 0.00 0.00 -2.06 0.00 0.00 37.83 34.43 1pla s LYS 91 CO 0.03 0.14 0.11 0.20 0.10 0.00 0.00 175.35 175.93 1pla s GLY 92 N -3.42 -0.01 -0.08 0.59 0.00 0.76 -4.22 107.32 100.94 1pla s GLY 92 Ca 0.27 0.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.95 1pla s GLY 92 CO 0.11 -0.01 0.29 1.85 0.00 0.00 0.00 173.10 175.34 1pla s GLU 93 N -0.65 0.46 -0.07 2.90 2.12 -0.92 -0.13 118.70 122.41 1pla s GLU 93 Ca -0.07 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.42 1pla s GLU 93 Cb -0.04 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.59 1pla s GLU 93 CO 0.01 -0.09 0.03 0.54 -0.54 0.00 0.00 175.26 175.21 1pla s VAL 94 N -0.39 0.17 -0.61 3.70 0.11 -1.10 -2.43 120.40 119.85 1pla s VAL 94 Ca -0.05 0.17 -0.18 0.00 -2.93 0.00 0.00 61.98 58.99 1pla s VAL 94 Cb -0.03 -0.42 0.11 0.00 -1.53 0.00 0.00 36.38 34.51 1pla s VAL 94 CO 0.02 0.16 0.69 -0.89 -3.33 0.00 0.00 175.10 171.75 1pla s THR 95 N 2.05 4.91 0.42 5.04 2.01 -0.93 -2.61 115.64 126.53 1pla s THR 95 Ca 0.04 -1.17 -0.21 0.00 0.31 0.00 0.00 61.69 60.66 1pla s THR 95 Cb -0.13 -4.48 -0.11 0.00 0.01 0.00 0.00 72.50 67.80 1pla s THR 95 CO -0.05 -1.10 0.95 -0.69 -0.69 0.00 0.00 174.62 173.04 1pla s VAL 96 N 2.40 4.38 0.00 3.82 1.01 -0.67 -1.10 120.40 130.24 1pla s VAL 96 Ca 0.11 1.52 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1pla s VAL 96 Cb -0.24 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1pla s VAL 96 CO 0.04 -0.27 0.00 0.59 0.00 0.00 0.00 175.10 175.47