#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dar s SER 2 N 0.00 2.32 -0.16 1.61 0.15 -1.26 -5.11 113.70 111.24 2dar s SER 2 Ca 0.00 -0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.21 2dar s SER 2 Cb 0.00 -0.99 0.08 0.00 -1.71 0.00 0.00 66.02 63.40 2dar s SER 2 CO 0.00 -0.05 0.35 -0.44 1.20 0.00 0.00 173.24 174.30 2dar s SER 3 N 1.33 -0.06 -0.96 5.45 0.01 -1.26 -5.09 113.70 113.11 2dar s SER 3 Ca -0.01 0.81 -0.04 0.00 1.31 0.00 0.00 55.95 58.03 2dar s SER 3 Cb -0.14 1.00 0.24 0.00 0.21 0.00 0.00 66.02 67.33 2dar s SER 3 CO -0.06 -0.23 0.88 0.61 0.41 0.00 0.00 173.24 174.86 2dar n GLY 4 N 5.18 4.15 3.20 3.44 0.00 -1.26 -4.98 105.19 114.93 2dar n GLY 4 Ca -0.10 -2.59 -0.41 0.00 0.00 0.00 0.00 46.02 42.92 2dar n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dar s SER 5 N 0.22 6.19 -0.30 1.61 0.01 -1.26 -4.96 113.70 115.22 2dar s SER 5 Ca 0.29 -3.16 -0.15 0.00 1.31 0.00 0.00 55.95 54.24 2dar s SER 5 Cb -0.08 -2.02 0.18 0.00 0.21 0.00 0.00 66.02 64.30 2dar s SER 5 CO -0.11 -0.36 1.08 -0.55 0.41 0.00 0.00 173.24 173.70 2dar s SER 6 N 0.97 -0.42 0.00 2.44 0.15 -1.26 -5.13 113.70 110.46 2dar s SER 6 Ca 0.22 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2dar s SER 6 Cb -0.12 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 2dar s SER 6 CO -0.08 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2dar n GLY 7 N 5.08 1.55 0.09 9.45 0.00 -1.26 -5.02 105.19 115.08 2dar n GLY 7 Ca -0.08 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.08 2dar n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dar n ASP 8 N 0.00 0.74 -3.84 1.61 5.75 -1.26 -4.98 116.55 114.57 2dar n ASP 8 Ca 0.00 0.32 -0.14 0.00 -0.01 0.00 0.00 54.79 54.96 2dar n ASP 8 Cb 0.00 0.39 -0.09 0.00 -1.03 0.00 0.00 41.12 40.39 2dar n ASP 8 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2dar s GLN 9 N -3.00 1.46 -0.28 0.11 -0.21 -1.26 -5.16 119.66 111.31 2dar s GLN 9 Ca -0.03 -1.73 -0.09 0.00 0.02 0.00 0.00 55.36 53.52 2dar s GLN 9 Cb 0.09 0.32 0.13 0.00 1.00 0.00 0.00 33.01 34.54 2dar s GLN 9 CO 0.82 -0.52 0.60 -0.51 -2.12 0.00 0.00 175.29 173.56 2dar s ASP 10 N -3.22 -1.00 0.12 5.90 1.01 -1.26 -5.17 116.67 113.06 2dar s ASP 10 Ca 0.38 1.42 0.05 0.00 0.71 0.00 0.00 52.55 55.10 2dar s ASP 10 Cb 0.04 2.12 -0.04 0.00 1.01 0.00 0.00 42.92 46.06 2dar s ASP 10 CO 0.17 -0.23 0.08 -0.89 0.21 0.00 0.00 175.17 174.52 2dar s THR 11 N 2.84 4.34 0.34 -1.27 2.01 -1.26 -4.98 115.64 117.67 2dar s THR 11 Ca -0.03 -0.99 0.24 0.00 0.31 0.00 0.00 61.69 61.21 2dar s THR 11 Cb -0.12 -3.15 0.38 0.00 0.01 0.00 0.00 72.50 69.62 2dar s THR 11 CO -0.18 0.01 1.26 -0.11 -0.69 0.00 0.00 174.62 174.91 2dar n LEU 12 N 0.11 0.19 -3.14 4.42 -0.00 -1.26 -4.55 117.00 112.78 2dar n LEU 12 Ca -0.09 1.16 -0.43 0.00 -0.00 0.00 0.00 56.01 56.66 2dar n LEU 12 Cb 0.53 -0.57 -0.06 0.00 -0.00 0.00 0.00 43.42 43.32 2dar n LEU 12 CO 0.42 -1.27 0.56 0.52 -0.00 0.00 0.00 177.39 177.61 2dar n VAL 13 N -4.42 0.00 -4.41 1.96 0.31 -1.26 -4.80 118.33 105.71 2dar n VAL 13 Ca 0.32 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.40 2dar n VAL 13 Cb 1.21 -0.14 -0.09 0.00 -0.91 0.00 0.00 33.84 33.90 2dar n VAL 13 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2dar s GLN 14 N 0.86 1.96 -0.16 5.55 -0.21 0.10 -4.81 119.66 122.95 2dar s GLN 14 Ca 0.66 -1.74 -0.00 0.00 0.02 0.00 0.00 55.36 54.29 2dar s GLN 14 Cb -0.93 -1.88 0.04 0.00 1.00 0.00 0.00 33.01 31.24 2dar s GLN 14 CO 0.46 0.22 -0.06 1.03 -2.12 0.00 0.00 175.29 174.82 2dar s ARG 15 N -3.64 1.55 0.07 2.91 0.52 -1.26 -1.28 118.95 117.83 2dar s ARG 15 Ca 0.33 -0.54 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 2dar s ARG 15 Cb -0.02 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.35 2dar s ARG 15 CO 0.18 -0.41 1.60 0.00 0.02 0.00 0.00 175.30 176.69 2dar s ALA 16 N 1.60 3.68 0.05 2.13 0.00 -1.26 -4.92 121.76 123.05 2dar s ALA 16 Ca 0.01 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 2dar s ALA 16 Cb -0.15 -3.67 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 2dar s ALA 16 CO -0.08 -1.02 1.94 -2.00 0.00 0.00 0.00 175.76 174.60 2dar s GLU 17 N 2.35 4.14 -0.40 0.00 2.56 -1.04 -4.77 118.70 121.54 2dar s GLU 17 Ca 0.72 2.60 -0.29 0.00 0.00 0.00 0.00 54.97 58.00 2dar s GLU 17 Cb -0.39 -4.06 0.01 0.00 2.00 0.00 0.00 34.13 31.68 2dar s GLU 17 CO 0.31 -0.93 1.44 -1.01 -0.56 0.00 0.00 175.26 174.50 2dar s HIS 18 N 4.16 2.37 -0.21 5.30 3.76 -1.26 -2.84 115.29 126.56 2dar s HIS 18 Ca 0.87 0.68 -0.11 0.00 -0.15 0.00 0.00 55.06 56.34 2dar s HIS 18 Cb -0.43 -4.27 -0.05 0.00 1.11 0.00 0.00 32.58 28.94 2dar s HIS 18 CO 0.40 -2.05 0.17 0.42 -0.85 0.00 0.00 174.74 172.84 2dar s ILE 19 N 5.48 5.37 1.19 0.60 -1.09 -0.50 -5.02 121.20 127.22 2dar s ILE 19 Ca 0.62 0.25 -0.19 0.00 -2.23 0.00 0.00 60.65 59.10 2dar s ILE 19 Cb -0.15 -3.51 0.28 0.00 -1.58 0.00 0.00 42.46 37.50 2dar s ILE 19 CO 0.32 0.38 1.11 -2.16 -1.23 0.00 0.00 174.94 173.36 2dar s PRO 20 N 0.73 -1.16 0.34 2.79 0.04 -1.26 -2.07 135.00 134.42 2dar s PRO 20 Ca 0.09 -0.04 -0.22 0.00 0.04 0.00 0.00 61.00 60.87 2dar s PRO 20 Cb -0.12 -1.60 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 2dar s PRO 20 CO 0.02 -3.67 0.88 0.00 0.04 0.00 0.00 177.00 174.27 2dar s ALA 21 N -3.00 3.20 0.00 8.56 0.00 -1.26 -4.00 121.76 125.25 2dar s ALA 21 Ca 0.71 0.36 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2dar s ALA 21 Cb -0.10 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2dar s ALA 21 CO 0.56 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.94 2dar n GLY 22 N 0.04 1.92 0.32 0.00 0.00 -1.26 -4.77 105.19 101.43 2dar n GLY 22 Ca 0.03 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.86 2dar n GLY 22 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dar h LYS 23 N 0.00 0.02 -2.19 1.61 3.11 -1.95 -3.41 116.57 113.76 2dar h LYS 23 Ca 0.00 -0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 2dar h LYS 23 Cb 0.00 -0.00 -0.21 0.00 -1.00 0.00 0.00 32.23 31.01 2dar h LYS 23 CO 0.00 0.01 0.05 1.03 -2.81 0.00 0.00 179.45 177.73 2dar s ARG 24 N -6.17 0.79 -0.45 1.90 0.52 -1.26 -5.09 118.95 109.19 2dar s ARG 24 Ca -0.14 0.77 0.09 0.00 -0.52 0.00 0.00 55.73 55.93 2dar s ARG 24 Cb 0.25 0.38 0.33 0.00 0.52 0.00 0.00 34.95 36.43 2dar s ARG 24 CO 0.77 -0.13 0.77 0.25 0.02 0.00 0.00 175.30 176.98 2dar n THR 25 N 2.43 0.91 -0.24 0.02 -2.24 -1.26 -4.75 114.28 109.16 2dar n THR 25 Ca -0.15 -4.86 0.00 0.00 -2.27 0.00 0.00 64.05 56.77 2dar n THR 25 Cb 0.56 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2dar n THR 25 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dar n PRO 26 N 0.30 0.01 -4.01 -0.78 -0.04 -1.26 -4.01 135.00 125.21 2dar n PRO 26 Ca 0.27 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.38 2dar n PRO 26 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 2dar n PRO 26 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2dar s MET 27 N -1.47 3.80 1.08 0.54 -1.94 -1.26 -0.94 119.30 119.11 2dar s MET 27 Ca 0.00 -0.43 -0.20 0.00 -1.71 0.00 0.00 55.69 53.35 2dar s MET 27 Cb 0.00 -3.19 0.04 0.00 2.01 0.00 0.00 34.83 33.69 2dar s MET 27 CO 0.00 0.11 -0.33 0.00 -0.01 0.00 0.00 175.02 174.79 2dar n ALA 29 N -4.23 1.51 -0.09 0.00 0.00 -0.74 -3.66 120.51 113.30 2dar n ALA 29 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.30 2dar n ALA 29 Cb 0.63 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2dar n ALA 29 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2dar n HIS 30 N -2.92 0.00 0.23 0.00 -0.00 -1.26 -4.39 115.22 106.87 2dar n HIS 30 Ca -0.36 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.47 2dar n HIS 30 Cb 1.04 -0.38 0.41 0.00 -0.00 0.00 0.00 29.99 31.06 2dar n HIS 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dar n ASN 32 N -3.24 -5.05 -4.31 0.00 3.02 -1.24 -4.97 115.26 99.47 2dar n ASN 32 Ca 0.01 -0.55 -0.31 0.00 -0.03 0.00 0.00 54.58 53.70 2dar n ASN 32 Cb 0.46 -4.96 -0.16 0.00 -0.61 0.00 0.00 39.78 34.51 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2dar s GLN 33 N -6.01 2.38 0.23 3.52 -1.52 -1.26 -4.63 119.66 112.36 2dar s GLN 33 Ca 0.41 -0.89 -0.27 0.00 -1.95 0.00 0.00 55.36 52.65 2dar s GLN 33 Cb -0.18 -2.14 -0.17 0.00 -0.22 0.00 0.00 33.01 30.30 2dar s GLN 33 CO 0.71 0.48 0.54 1.55 -0.25 0.00 0.00 175.29 178.32 2dar n VAL 34 N 2.68 1.91 -3.36 1.09 3.14 -1.26 -2.53 118.33 120.00 2dar n VAL 34 Ca -0.17 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.26 2dar n VAL 34 Cb 0.52 -0.10 -0.05 0.00 -1.06 0.00 0.00 33.84 33.14 2dar n VAL 34 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2dar s ILE 35 N -1.06 5.11 -0.07 1.55 1.01 -0.12 -4.85 121.20 122.77 2dar s ILE 35 Ca 0.63 -1.75 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 2dar s ILE 35 Cb -0.88 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 37.38 2dar s ILE 35 CO 0.57 -0.89 1.77 0.54 0.00 0.00 0.00 174.94 176.93 2dar n ARG 36 N 4.93 1.18 0.00 2.79 1.74 -1.26 -4.26 116.66 121.78 2dar n ARG 36 Ca -0.08 -0.38 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 2dar n ARG 36 Cb 0.41 -1.15 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 2dar n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dar n GLY 37 N 0.98 1.27 3.69 -0.13 0.00 -1.26 -4.89 105.19 104.85 2dar n GLY 37 Ca 0.07 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2dar n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dar s PRO 38 N 1.01 4.28 0.45 1.61 0.04 -1.26 -4.55 135.00 136.58 2dar s PRO 38 Ca 0.00 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.10 2dar s PRO 38 Cb 0.00 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.97 2dar s PRO 38 CO 0.00 -0.57 0.02 -0.59 0.04 0.00 0.00 177.00 175.90 2dar s PHE 39 N 2.23 2.10 -0.19 0.56 -0.12 -0.88 -4.45 117.98 117.23 2dar s PHE 39 Ca 0.65 -0.88 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 2dar s PHE 39 Cb -0.33 -1.61 0.02 0.00 -0.63 0.00 0.00 43.02 40.46 2dar s PHE 39 CO 0.28 0.25 -0.17 -0.51 -0.05 0.00 0.00 175.22 175.02 2dar s LEU 40 N -3.77 2.29 -0.32 -1.99 1.43 -0.46 -1.42 118.68 114.44 2dar s LEU 40 Ca 0.20 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 2dar s LEU 40 Cb 0.05 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2dar s LEU 40 CO 0.10 -0.01 0.33 0.54 0.23 0.00 0.00 176.35 177.54 2dar s VAL 41 N 1.32 5.20 0.15 -1.59 0.11 -1.13 -0.88 120.40 123.58 2dar s VAL 41 Ca 0.05 0.09 -0.15 0.00 -2.93 0.00 0.00 61.98 59.04 2dar s VAL 41 Cb -0.13 -3.76 0.02 0.00 -1.53 0.00 0.00 36.38 30.98 2dar s VAL 41 CO -0.11 -0.01 0.41 0.00 -3.33 0.00 0.00 175.10 172.06 2dar s ALA 42 N 1.95 -0.72 -1.18 1.54 0.00 0.13 -2.50 121.76 120.99 2dar s ALA 42 Ca 0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 2dar s ALA 42 Cb -0.16 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.78 2dar s ALA 42 CO 0.11 -0.69 0.39 1.28 0.00 0.00 0.00 175.76 176.85 2dar n LEU 43 N -0.25 -1.34 -2.87 0.00 7.99 -1.26 -0.02 117.00 119.24 2dar n LEU 43 Ca -0.12 -0.27 -0.20 0.00 -0.01 0.00 0.00 56.01 55.40 2dar n LEU 43 Cb 0.63 -2.02 0.05 0.00 -0.11 0.00 0.00 43.42 41.97 2dar n LEU 43 CO 0.19 0.10 0.11 0.61 -1.51 0.00 0.00 177.39 176.89 2dar n GLY 44 N -1.06 -0.33 3.63 -0.72 0.00 -1.26 -4.99 105.19 100.46 2dar n GLY 44 Ca -0.03 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2dar n GLY 44 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dar s LYS 45 N -5.84 1.35 0.16 1.61 2.20 0.97 -5.18 119.74 115.02 2dar s LYS 45 Ca 0.38 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.40 2dar s LYS 45 Cb -0.17 0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 2dar s LYS 45 CO 0.48 -0.61 0.17 -1.54 -0.36 0.00 0.00 175.35 173.49 2dar s SER 46 N -2.79 5.70 0.18 1.43 1.04 -1.26 0.21 113.70 118.21 2dar s SER 46 Ca 0.07 -0.06 -0.13 0.00 0.48 0.00 0.00 55.95 56.31 2dar s SER 46 Cb -0.03 -1.55 0.01 0.00 0.10 0.00 0.00 66.02 64.55 2dar s SER 46 CO -0.03 0.06 0.40 0.26 0.98 0.00 0.00 173.24 174.91 2dar s TRP 47 N -1.75 0.17 0.09 5.02 0.52 -0.06 -1.80 118.94 121.12 2dar s TRP 47 Ca 0.32 -0.52 -0.22 0.00 0.02 0.00 0.00 56.10 55.70 2dar s TRP 47 Cb -0.10 0.16 -0.07 0.00 -1.15 0.00 0.00 33.47 32.31 2dar s TRP 47 CO 0.25 -0.83 0.65 -1.01 0.02 0.00 0.00 176.95 176.03 2dar s HIS 48 N -3.93 3.82 -0.80 -1.98 3.76 -1.26 -1.35 115.29 113.55 2dar s HIS 48 Ca 0.14 1.40 0.18 0.00 -0.15 0.00 0.00 55.06 56.62 2dar s HIS 48 Cb 0.01 -2.63 0.75 0.00 1.11 0.00 0.00 32.58 31.83 2dar s HIS 48 CO -0.01 0.51 1.55 -0.35 -0.85 0.00 0.00 174.74 175.59 2dar n PRO 49 N 1.91 0.07 -0.02 8.40 -0.04 -1.26 0.08 135.00 144.13 2dar n PRO 49 Ca -0.08 0.32 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2dar n PRO 49 Cb 0.50 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 2dar n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dar n GLU 50 N -1.78 0.67 -0.11 0.54 1.02 -1.26 -4.60 120.64 115.12 2dar n GLU 50 Ca 0.03 -0.14 -0.22 0.00 -0.02 0.00 0.00 57.16 56.81 2dar n GLU 50 Cb 0.19 -1.43 -0.12 0.00 -0.02 0.00 0.00 31.44 30.06 2dar n GLU 50 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2dar n GLU 51 N -2.21 0.64 -1.51 3.49 2.13 -1.02 -4.88 120.64 117.29 2dar n GLU 51 Ca -0.07 0.24 -0.34 0.00 0.66 0.00 0.00 57.16 57.64 2dar n GLU 51 Cb 0.57 -1.56 -0.14 0.00 0.27 0.00 0.00 31.44 30.58 2dar n GLU 51 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2dar n PHE 52 N -3.68 0.67 -4.26 4.31 7.35 0.11 -4.86 117.46 117.10 2dar n PHE 52 Ca -0.45 0.22 -0.14 0.00 -0.76 0.00 0.00 57.45 56.32 2dar n PHE 52 Cb 0.94 -2.07 -0.10 0.00 0.35 0.00 0.00 39.48 38.60 2dar n PHE 52 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2dar s ASN 53 N 7.97 1.55 1.35 -2.13 0.01 -1.26 -2.38 114.94 120.05 2dar s ASN 53 Ca 1.24 -1.12 -0.21 0.00 -0.71 0.00 0.00 52.86 52.07 2dar s ASN 53 Cb -0.87 0.05 0.34 0.00 0.41 0.00 0.00 41.25 41.17 2dar s ASN 53 CO 0.43 -0.47 0.98 0.00 -1.51 0.00 0.00 177.10 176.53 2dar n ALA 55 N -5.38 1.59 -0.07 0.00 0.00 -1.21 -3.85 120.51 111.59 2dar n ALA 55 Ca 0.11 -1.21 -0.10 0.00 0.00 0.00 0.00 53.44 52.24 2dar n ALA 55 Cb 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 2dar n ALA 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2dar n HIS 56 N -2.68 0.00 0.79 0.00 -0.00 -1.26 -4.58 115.22 107.49 2dar n HIS 56 Ca -0.30 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.55 2dar n HIS 56 Cb 1.09 -0.46 0.51 0.00 -0.00 0.00 0.00 29.99 31.13 2dar n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dar n LYS 58 N -1.80 -1.10 -4.30 0.00 4.76 -1.25 -4.88 118.16 109.60 2dar n LYS 58 Ca 0.06 0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.31 2dar n LYS 58 Cb 0.35 -3.69 -0.10 0.00 -1.84 0.00 0.00 35.03 29.74 2dar n LYS 58 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2dar s ASN 59 N -4.34 4.26 -0.35 4.39 0.01 -1.26 -4.62 114.94 113.03 2dar s ASN 59 Ca 0.03 -0.41 -0.41 0.00 -0.71 0.00 0.00 52.86 51.37 2dar s ASN 59 Cb -0.02 -0.78 -0.16 0.00 0.41 0.00 0.00 41.25 40.70 2dar s ASN 59 CO 0.99 0.19 1.84 1.07 -1.51 0.00 0.00 177.10 179.68 2dar n THR 60 N 0.85 0.21 -1.56 1.60 5.66 -1.26 -2.13 114.28 117.66 2dar n THR 60 Ca -0.14 -0.07 -0.31 0.00 -3.05 0.00 0.00 64.05 60.48 2dar n THR 60 Cb 0.52 -1.11 0.06 0.00 -1.55 0.00 0.00 70.33 68.26 2dar n THR 60 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 2dar n MET 61 N 5.85 2.98 -0.09 1.09 2.81 -1.00 -4.54 117.12 124.22 2dar n MET 61 Ca 0.32 -3.58 -0.22 0.00 -1.81 0.00 0.00 57.70 52.42 2dar n MET 61 Cb 0.10 -2.28 -0.12 0.00 -0.71 0.00 0.00 33.22 30.21 2dar n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dar n ALA 62 N -0.86 1.16 0.02 3.04 0.00 -1.26 -4.58 120.51 118.03 2dar n ALA 62 Ca 0.56 -0.89 -0.19 0.00 0.00 0.00 0.00 53.44 52.93 2dar n ALA 62 Cb 0.78 -0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.81 2dar n ALA 62 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2dar h TYR 63 N -0.28 0.42 -3.24 0.00 0.05 -1.98 -3.46 116.97 108.47 2dar h TYR 63 Ca -0.53 -0.30 -0.46 0.00 0.05 0.00 0.00 58.73 57.49 2dar h TYR 63 Cb 1.82 -0.02 0.13 0.00 1.01 0.00 0.00 36.73 39.66 2dar h TYR 63 CO 0.03 1.27 0.28 0.96 -1.05 0.00 0.00 178.16 179.65 2dar s ILE 64 N -2.39 2.07 0.00 -2.88 -4.36 -1.26 -5.06 121.20 107.32 2dar s ILE 64 Ca -0.15 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.98 2dar s ILE 64 Cb 0.00 -2.81 0.00 0.00 1.25 0.00 0.00 42.46 40.91 2dar s ILE 64 CO 0.79 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.58 2dar n GLY 65 N -3.34 0.68 3.51 6.27 0.00 -1.26 -4.79 105.19 106.26 2dar n GLY 65 Ca 0.15 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 2dar n GLY 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dar s PHE 66 N 0.66 -0.38 -0.07 1.61 -0.12 -0.41 -3.93 117.98 115.35 2dar s PHE 66 Ca 0.00 0.32 0.02 0.00 -0.05 0.00 0.00 56.93 57.22 2dar s PHE 66 Cb 0.00 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 42.92 2dar s PHE 66 CO 0.00 -0.54 -0.13 0.08 -0.05 0.00 0.00 175.22 174.58 2dar s VAL 67 N -2.80 1.21 -0.02 -2.49 1.01 0.17 0.03 120.40 117.51 2dar s VAL 67 Ca 0.03 -0.53 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 2dar s VAL 67 Cb -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2dar s VAL 67 CO -0.07 0.37 0.68 -0.70 0.00 0.00 0.00 175.10 175.38 2dar s GLU 68 N 0.61 4.41 -0.29 2.72 2.12 -1.26 -0.75 118.70 126.26 2dar s GLU 68 Ca -0.14 0.87 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 2dar s GLU 68 Cb -0.16 -3.39 0.12 0.00 0.26 0.00 0.00 34.13 30.96 2dar s GLU 68 CO 0.04 0.22 0.68 -2.00 -0.54 0.00 0.00 175.26 173.66 2dar s GLU 69 N 0.27 0.60 -1.52 4.30 2.56 -0.37 -4.94 118.70 119.61 2dar s GLU 69 Ca 0.35 1.35 -0.09 0.00 0.00 0.00 0.00 54.97 56.57 2dar s GLU 69 Cb -0.18 0.63 0.07 0.00 2.00 0.00 0.00 34.13 36.64 2dar s GLU 69 CO 0.19 -0.18 0.73 1.63 -0.56 0.00 0.00 175.26 177.07 2dar n LYS 70 N 5.06 -4.15 -3.40 4.30 5.02 -1.26 -1.18 118.16 122.56 2dar n LYS 70 Ca -0.14 0.48 -0.19 0.00 -2.02 0.00 0.00 58.31 56.44 2dar n LYS 70 Cb 0.52 -5.07 0.07 0.00 -0.02 0.00 0.00 35.03 30.54 2dar n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dar n GLY 71 N -1.68 -0.34 3.27 0.72 0.00 -1.26 -5.01 105.19 100.89 2dar n GLY 71 Ca -0.09 0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2dar n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dar s ALA 72 N -3.30 -1.10 -0.21 4.61 0.00 -0.33 -5.14 121.76 116.30 2dar s ALA 72 Ca 0.32 1.53 -0.18 0.00 0.00 0.00 0.00 51.96 53.63 2dar s ALA 72 Cb -0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 2dar s ALA 72 CO 0.65 -0.48 0.49 -0.51 0.00 0.00 0.00 175.76 175.92 2dar s LEU 73 N 1.92 4.14 -0.11 0.00 1.43 -1.26 -1.24 118.68 123.56 2dar s LEU 73 Ca -0.06 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.68 2dar s LEU 73 Cb -0.10 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.47 2dar s LEU 73 CO -0.13 -0.17 -0.17 -0.31 0.23 0.00 0.00 176.35 175.80 2dar s TYR 74 N 1.65 2.13 1.03 0.29 2.02 0.08 -3.35 117.35 121.21 2dar s TYR 74 Ca 0.23 -1.02 -0.12 0.00 -0.37 0.00 0.00 57.07 55.79 2dar s TYR 74 Cb -0.15 -1.51 0.17 0.00 -0.40 0.00 0.00 41.96 40.06 2dar s TYR 74 CO 0.09 -0.50 0.83 0.00 -1.57 0.00 0.00 175.55 174.40 2dar h GLU 76 N -2.11 0.29 0.15 0.00 9.09 -1.91 -1.11 114.58 118.98 2dar h GLU 76 Ca -0.50 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 58.88 2dar h GLU 76 Cb 1.30 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2dar h GLU 76 CO 0.42 0.19 -0.07 -0.07 0.05 0.00 0.00 179.01 179.53 2dar h LEU 77 N 0.30 -0.17 -0.74 3.06 3.38 -1.93 -1.08 115.31 118.14 2dar h LEU 77 Ca 0.46 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.60 2dar h LEU 77 Cb 1.30 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.97 2dar h LEU 77 CO -0.14 -0.10 0.02 0.00 0.09 0.00 0.00 178.44 178.31 2dar h TYR 79 N 0.11 -0.81 -0.95 0.00 5.03 -1.25 -1.90 116.97 117.20 2dar h TYR 79 Ca 0.40 0.00 0.18 0.00 2.58 0.00 0.00 58.73 61.89 2dar h TYR 79 Cb 0.70 0.31 -0.08 0.00 1.55 0.00 0.00 36.73 39.21 2dar h TYR 79 CO -0.40 -0.40 0.61 1.49 -1.32 0.00 0.00 178.16 178.13 2dar h GLU 80 N -0.62 0.64 -0.70 1.82 4.81 -0.60 1.98 114.58 121.91 2dar h GLU 80 Ca -0.04 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2dar h GLU 80 Cb 0.52 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 2dar h GLU 80 CO -0.02 0.42 0.38 0.87 -0.73 0.00 0.00 179.01 179.94 2dar h LYS 81 N 0.66 0.66 0.00 1.92 1.57 -0.08 -1.90 116.57 119.41 2dar h LYS 81 Ca 0.51 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2dar h LYS 81 Cb 0.92 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2dar h LYS 81 CO -0.27 0.44 -0.77 1.19 -0.57 0.00 0.00 179.45 179.46 2dar n PHE 82 N -4.80 0.00 -0.03 -1.35 3.72 -0.11 -4.48 117.46 110.41 2dar n PHE 82 Ca 0.10 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 2dar n PHE 82 Cb 0.21 -0.39 -0.09 0.00 -0.94 0.00 0.00 39.48 38.27 2dar n PHE 82 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 2dar h PHE 83 N -0.77 -1.59 0.00 1.38 -1.00 0.29 -2.02 116.94 113.23 2dar h PHE 83 Ca 0.00 0.06 -0.43 0.00 2.81 0.00 0.00 57.97 60.42 2dar h PHE 83 Cb 0.77 0.72 -0.02 0.00 3.61 0.00 0.00 35.95 41.03 2dar h PHE 83 CO -0.33 -0.53 1.70 0.00 -1.61 0.00 0.00 178.31 177.53 2dar n ALA 84 N -3.01 6.97 -3.58 2.45 0.00 -0.71 -4.79 120.51 117.84 2dar n ALA 84 Ca -0.05 -2.66 -0.13 0.00 0.00 0.00 0.00 53.44 50.60 2dar n ALA 84 Cb 0.37 -2.84 -0.13 0.00 0.00 0.00 0.00 19.45 16.85 2dar n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dar s SER 85 N 2.08 -0.24 0.00 0.00 0.15 -0.76 -4.72 113.70 110.22 2dar s SER 85 Ca 0.68 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2dar s SER 85 Cb 0.25 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dar s SER 85 CO -0.03 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dar n GLY 86 N 3.92 1.23 3.71 9.45 0.00 -1.26 -5.00 105.19 117.23 2dar n GLY 86 Ca -0.22 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2dar n GLY 86 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dar s PRO 87 N -2.12 1.02 1.05 1.61 0.04 -1.26 -5.00 135.00 130.34 2dar s PRO 87 Ca 0.00 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 61.64 2dar s PRO 87 Cb 0.00 -1.79 0.16 0.00 0.04 0.00 0.00 34.50 32.92 2dar s PRO 87 CO 0.00 -2.38 0.71 0.43 0.04 0.00 0.00 177.00 175.80 2dar n SER 88 N -3.97 -1.41 -0.06 6.66 7.64 -1.26 -5.00 113.62 116.23 2dar n SER 88 Ca 0.06 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 59.91 2dar n SER 88 Cb 0.56 -1.24 -0.04 0.00 -1.01 0.00 0.00 64.21 62.47 2dar n SER 88 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dar n SER 89 N -3.35 0.88 0.00 6.43 7.64 -1.26 -5.31 113.62 118.65 2dar n SER 89 Ca 0.06 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2dar n SER 89 Cb 0.55 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2dar n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64