#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dar n SER 2 N 0.00 -2.47 -4.77 1.61 2.88 -1.26 -4.93 113.62 104.69 2dar n SER 2 Ca 0.00 -1.05 -0.31 0.00 -1.33 0.00 0.00 58.87 56.18 2dar n SER 2 Cb 0.00 -2.63 -0.07 0.00 -0.75 0.00 0.00 64.21 60.76 2dar n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dar s SER 3 N -3.52 5.53 0.00 -3.46 0.15 -1.26 -5.01 113.70 106.13 2dar s SER 3 Ca 0.59 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.28 2dar s SER 3 Cb -0.33 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 2dar s SER 3 CO 0.94 0.21 0.00 0.61 1.20 0.00 0.00 173.24 176.20 2dar n GLY 4 N 0.77 2.56 3.47 9.45 0.00 -1.26 -5.18 105.19 115.00 2dar n GLY 4 Ca -0.10 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 2dar n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dar s SER 5 N 0.00 -0.21 -0.05 1.61 1.04 -1.26 -5.17 113.70 109.66 2dar s SER 5 Ca 0.00 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 55.89 2dar s SER 5 Cb 0.00 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.70 2dar s SER 5 CO 0.00 -1.01 0.08 -0.44 0.98 0.00 0.00 173.24 172.85 2dar s SER 6 N -2.88 0.41 -0.51 7.02 0.01 -1.26 -5.10 113.70 111.39 2dar s SER 6 Ca 0.10 0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.55 2dar s SER 6 Cb -0.00 0.02 0.16 0.00 0.21 0.00 0.00 66.02 66.41 2dar s SER 6 CO -0.03 -0.18 0.37 -0.83 0.41 0.00 0.00 173.24 172.97 2dar s GLY 7 N 1.57 1.87 -0.25 3.44 0.00 -1.26 -5.09 107.32 107.61 2dar s GLY 7 Ca -0.04 -2.93 -0.35 0.00 0.00 0.00 0.00 44.72 41.40 2dar s GLY 7 CO -0.04 1.65 2.01 1.34 0.00 0.00 0.00 173.10 178.06 2dar n ASP 8 N 2.73 2.67 -4.02 1.64 -0.08 -1.26 -4.94 116.55 113.29 2dar n ASP 8 Ca 0.21 0.70 -0.20 0.00 -1.51 0.00 0.00 54.79 53.99 2dar n ASP 8 Cb 0.40 -1.29 -0.15 0.00 2.34 0.00 0.00 41.12 42.42 2dar n ASP 8 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2dar s GLN 9 N 5.06 0.91 -0.13 -0.67 0.74 -1.26 -5.02 119.66 119.28 2dar s GLN 9 Ca 1.02 -0.34 0.18 0.00 0.05 0.00 0.00 55.36 56.27 2dar s GLN 9 Cb -0.81 -0.86 0.33 0.00 1.10 0.00 0.00 33.01 32.76 2dar s GLN 9 CO 0.52 0.16 1.20 -3.47 -0.55 0.00 0.00 175.29 173.15 2dar n ASP 10 N 3.08 2.63 -3.85 6.67 2.03 -1.26 -5.00 116.55 120.85 2dar n ASP 10 Ca -0.16 -3.03 -0.13 0.00 0.52 0.00 0.00 54.79 51.99 2dar n ASP 10 Cb 0.55 -0.44 -0.14 0.00 -0.72 0.00 0.00 41.12 40.37 2dar n ASP 10 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dar s THR 11 N -2.79 -0.01 0.26 5.18 2.01 -1.26 -5.04 115.64 113.99 2dar s THR 11 Ca 0.33 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 2dar s THR 11 Cb 0.28 -0.03 0.12 0.00 0.01 0.00 0.00 72.50 72.88 2dar s THR 11 CO 0.04 0.02 1.77 -0.07 -0.69 0.00 0.00 174.62 175.69 2dar h LEU 12 N 6.42 0.78 -6.20 4.42 3.38 -1.95 -3.44 115.31 118.72 2dar h LEU 12 Ca -0.29 -0.18 -0.60 0.00 0.09 0.00 0.00 57.88 56.89 2dar h LEU 12 Cb 1.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2dar h LEU 12 CO 0.50 0.83 0.55 0.52 0.09 0.00 0.00 178.44 180.93 2dar n VAL 13 N -4.22 0.00 -3.23 1.22 0.31 -1.26 -4.77 118.33 106.37 2dar n VAL 13 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 2dar n VAL 13 Cb 0.29 -0.35 0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2dar n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dar n GLN 14 N 3.20 0.80 -3.67 5.55 1.13 0.62 -4.82 117.38 120.19 2dar n GLN 14 Ca 0.24 -2.13 -0.11 0.00 -1.94 0.00 0.00 57.00 53.06 2dar n GLN 14 Cb -0.04 -0.05 -0.11 0.00 0.11 0.00 0.00 30.24 30.15 2dar n GLN 14 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2dar s ARG 15 N -3.68 0.25 -0.14 -1.09 0.52 -1.26 -3.13 118.95 110.42 2dar s ARG 15 Ca 0.35 0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 56.13 2dar s ARG 15 Cb -0.03 0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 2dar s ARG 15 CO 0.22 -0.25 1.04 0.00 0.02 0.00 0.00 175.30 176.33 2dar s ALA 16 N 2.34 3.49 -0.41 2.13 0.00 -1.26 -4.91 121.76 123.14 2dar s ALA 16 Ca -0.02 0.35 -0.27 0.00 0.00 0.00 0.00 51.96 52.02 2dar s ALA 16 Cb -0.12 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 2dar s ALA 16 CO -0.11 -0.75 1.97 -2.00 0.00 0.00 0.00 175.76 174.86 2dar s GLU 17 N 2.39 2.93 -0.35 0.00 2.12 -0.99 -4.75 118.70 120.06 2dar s GLU 17 Ca 0.48 1.30 -0.28 0.00 0.36 0.00 0.00 54.97 56.83 2dar s GLU 17 Cb -0.18 -4.33 -0.06 0.00 0.26 0.00 0.00 34.13 29.82 2dar s GLU 17 CO 0.15 -2.34 2.31 0.72 -0.54 0.00 0.00 175.26 175.57 2dar n HIS 18 N 11.98 1.71 -3.34 5.30 8.25 -1.26 -3.29 115.22 134.57 2dar n HIS 18 Ca 0.25 -0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.32 2dar n HIS 18 Cb 0.49 -2.68 -0.08 0.00 1.12 0.00 0.00 29.99 28.84 2dar n HIS 18 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2dar s ILE 19 N 9.96 5.15 1.04 1.59 -1.09 0.23 -4.99 121.20 133.09 2dar s ILE 19 Ca 1.01 0.75 -0.13 0.00 -2.23 0.00 0.00 60.65 60.04 2dar s ILE 19 Cb -0.30 -3.76 0.21 0.00 -1.58 0.00 0.00 42.46 37.03 2dar s ILE 19 CO 0.32 0.19 1.10 -2.16 -1.23 0.00 0.00 174.94 173.15 2dar s PRO 20 N 1.71 0.12 0.54 2.79 0.04 -1.26 -1.32 135.00 137.63 2dar s PRO 20 Ca 0.19 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.48 2dar s PRO 20 Cb -0.15 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 2dar s PRO 20 CO 0.09 -2.91 1.03 0.00 0.04 0.00 0.00 177.00 175.24 2dar s ALA 21 N -2.97 2.88 -0.55 8.56 0.00 -1.26 -4.10 121.76 124.32 2dar s ALA 21 Ca 0.66 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 2dar s ALA 21 Cb -0.18 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2dar s ALA 21 CO 0.57 -0.49 0.47 0.41 0.00 0.00 0.00 175.76 176.73 2dar n GLY 22 N -1.01 0.23 1.69 0.00 0.00 -1.26 -4.94 105.19 99.89 2dar n GLY 22 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2dar n GLY 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dar n LYS 23 N -2.39 0.00 -3.73 1.61 4.76 -1.26 -5.13 118.16 112.02 2dar n LYS 23 Ca -0.05 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.26 2dar n LYS 23 Cb 0.54 -0.16 -0.09 0.00 -1.84 0.00 0.00 35.03 33.48 2dar n LYS 23 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2dar s ARG 24 N -2.00 0.62 -0.68 1.97 3.52 -1.26 -5.09 118.95 116.03 2dar s ARG 24 Ca 0.00 0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.78 2dar s ARG 24 Cb 0.00 0.28 0.29 0.00 -1.56 0.00 0.00 34.95 33.96 2dar s ARG 24 CO 0.00 -0.14 0.94 0.25 -0.81 0.00 0.00 175.30 175.53 2dar n THR 25 N 1.88 3.07 -0.27 4.11 -2.24 -1.26 -4.79 114.28 114.78 2dar n THR 25 Ca -0.18 -5.46 0.00 0.00 -2.27 0.00 0.00 64.05 56.15 2dar n THR 25 Cb 0.57 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 0.45 -0.13 -4.62 -0.78 -0.04 -1.26 -4.42 135.00 124.19 2dar n PRO 26 Ca 0.31 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.44 2dar n PRO 26 Cb 0.39 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.69 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 -1.68 3.08 0.36 0.54 -1.94 -1.26 -1.65 119.30 116.75 2dar s MET 27 Ca 0.00 -0.82 -0.27 0.00 -1.71 0.00 0.00 55.69 52.89 2dar s MET 27 Cb 0.00 -2.50 -0.12 0.00 2.01 0.00 0.00 34.83 34.23 2dar s MET 27 CO 0.00 -0.01 1.15 0.00 -0.01 0.00 0.00 175.02 176.15 2dar n ALA 29 N 0.03 3.18 0.04 0.00 0.00 0.19 -1.93 120.51 122.02 2dar n ALA 29 Ca 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2dar n ALA 29 Cb 0.36 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.25 -0.60 0.76 0.00 -0.00 -1.26 -4.87 115.22 109.50 2dar n HIS 30 Ca 0.14 0.11 0.11 0.00 -0.00 0.00 0.00 57.72 58.07 2dar n HIS 30 Cb 0.70 0.35 -0.08 0.00 -0.00 0.00 0.00 29.99 30.97 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 -1.70 -5.74 -4.56 0.00 3.02 -0.81 -4.97 115.26 100.50 2dar n ASN 32 Ca 0.02 -0.06 -0.34 0.00 -0.03 0.00 0.00 54.58 54.18 2dar n ASN 32 Cb 0.39 -4.73 -0.11 0.00 -0.61 0.00 0.00 39.78 34.71 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 -5.09 2.94 0.31 3.52 -1.52 -1.26 -4.71 119.66 113.84 2dar s GLN 33 Ca 0.04 -0.55 -0.28 0.00 -1.95 0.00 0.00 55.36 52.63 2dar s GLN 33 Cb -0.02 -2.65 -0.13 0.00 -0.22 0.00 0.00 33.01 29.99 2dar s GLN 33 CO 0.05 0.58 1.16 1.55 -0.25 0.00 0.00 175.29 178.38 2dar n VAL 34 N 2.49 1.93 -3.94 1.09 3.14 -1.26 -2.24 118.33 119.56 2dar n VAL 34 Ca -0.18 -0.48 -0.35 0.00 -2.96 0.00 0.00 64.34 60.37 2dar n VAL 34 Cb 0.53 -1.28 -0.10 0.00 -1.06 0.00 0.00 33.84 31.93 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 -1.02 4.88 -0.23 1.55 1.01 -0.66 -4.89 121.20 121.83 2dar s ILE 35 Ca 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.07 2dar s ILE 35 Cb -0.64 -3.21 -0.11 0.00 0.01 0.00 0.00 42.46 38.50 2dar s ILE 35 CO 0.60 0.44 -0.23 0.54 0.00 0.00 0.00 174.94 176.30 2dar n ARG 36 N 3.66 0.56 0.00 2.79 1.74 -1.26 -4.13 116.66 120.02 2dar n ARG 36 Ca -0.16 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2dar n ARG 36 Cb 0.52 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 1.36 -1.00 3.74 -0.13 0.00 -1.26 -4.03 105.19 103.87 2dar n GLY 37 Ca -0.38 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 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 0.00 4.41 0.38 1.61 0.04 -1.26 -4.55 135.00 135.64 2dar s PRO 38 Ca 0.00 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.13 2dar s PRO 38 Cb 0.00 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2dar s PRO 38 CO 0.00 -0.19 0.12 -0.59 0.04 0.00 0.00 177.00 176.38 2dar s PHE 39 N -0.23 1.79 -0.13 0.56 -0.12 -0.43 -4.61 117.98 114.81 2dar s PHE 39 Ca 0.54 -1.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 2dar s PHE 39 Cb -0.36 -1.14 0.00 0.00 -0.63 0.00 0.00 43.02 40.89 2dar s PHE 39 CO 0.41 -0.29 -0.21 -0.51 -0.05 0.00 0.00 175.22 174.58 2dar s LEU 40 N -3.56 2.23 -0.27 -1.99 1.43 -1.01 -0.60 118.68 114.91 2dar s LEU 40 Ca 0.27 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 2dar s LEU 40 Cb 0.04 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2dar s LEU 40 CO 0.15 0.12 0.11 0.54 0.23 0.00 0.00 176.35 177.49 2dar s VAL 41 N 0.61 4.51 0.12 -1.59 0.11 -1.21 -0.75 120.40 122.19 2dar s VAL 41 Ca -0.11 -0.19 -0.19 0.00 -2.93 0.00 0.00 61.98 58.56 2dar s VAL 41 Cb -0.16 -3.16 0.05 0.00 -1.53 0.00 0.00 36.38 31.57 2dar s VAL 41 CO 0.03 0.26 0.47 0.00 -3.33 0.00 0.00 175.10 172.53 2dar s ALA 42 N 1.63 -1.16 -1.25 1.54 0.00 0.77 -2.34 121.76 120.95 2dar s ALA 42 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2dar s ALA 42 Cb -0.16 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2dar s ALA 42 CO 0.05 -0.64 0.00 1.28 0.00 0.00 0.00 175.76 176.45 2dar n LEU 43 N -0.11 -1.13 -1.35 0.00 7.99 -1.26 -0.34 117.00 120.81 2dar n LEU 43 Ca -0.17 0.24 -0.09 0.00 -0.01 0.00 0.00 56.01 55.98 2dar n LEU 43 Cb 0.63 -2.14 0.01 0.00 -0.11 0.00 0.00 43.42 41.81 2dar n LEU 43 CO 0.16 -0.37 -0.01 0.61 -1.51 0.00 0.00 177.39 176.27 2dar n GLY 44 N -0.59 0.16 3.79 -0.72 0.00 -1.26 -5.02 105.19 101.56 2dar n GLY 44 Ca -0.15 -0.42 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 2dar n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dar s LYS 45 N -4.94 1.81 0.03 1.61 1.02 0.54 -5.17 119.74 114.63 2dar s LYS 45 Ca 0.11 -1.13 0.05 0.00 0.02 0.00 0.00 55.97 55.03 2dar s LYS 45 Cb -0.05 0.58 -0.03 0.00 -0.52 0.00 0.00 37.83 37.81 2dar s LYS 45 CO 0.14 -0.82 -0.13 -1.54 -0.92 0.00 0.00 175.35 172.08 2dar s SER 46 N -2.97 4.19 0.18 2.83 1.04 -1.26 -0.16 113.70 117.55 2dar s SER 46 Ca 0.14 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2dar s SER 46 Cb -0.05 -0.82 -0.05 0.00 0.10 0.00 0.00 66.02 65.20 2dar s SER 46 CO 0.08 0.26 0.02 0.26 0.98 0.00 0.00 173.24 174.85 2dar s TRP 47 N -0.97 1.24 -0.04 5.02 0.52 0.07 0.55 118.94 125.33 2dar s TRP 47 Ca 0.16 -1.07 -0.19 0.00 0.02 0.00 0.00 56.10 55.02 2dar s TRP 47 Cb -0.11 -0.71 -0.05 0.00 -1.15 0.00 0.00 33.47 31.45 2dar s TRP 47 CO 0.07 -0.26 0.55 -1.01 0.02 0.00 0.00 176.95 176.31 2dar s HIS 48 N -3.71 3.64 -2.00 -1.98 3.76 -1.26 -2.39 115.29 111.35 2dar s HIS 48 Ca 0.27 1.10 0.11 0.00 -0.15 0.00 0.00 55.06 56.38 2dar s HIS 48 Cb 0.06 -2.57 0.67 0.00 1.11 0.00 0.00 32.58 31.86 2dar s HIS 48 CO 0.06 0.32 1.10 -0.35 -0.85 0.00 0.00 174.74 175.02 2dar n PRO 49 N 2.93 0.49 -0.05 8.40 -0.04 -1.26 -0.31 135.00 145.15 2dar n PRO 49 Ca -0.07 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.35 2dar n PRO 49 Cb 0.51 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.86 1.75 -0.12 0.54 -0.58 -1.26 -4.69 120.64 115.43 2dar n GLU 50 Ca 0.08 -0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.64 2dar n GLU 50 Cb 0.04 -1.31 -0.12 0.00 -0.57 0.00 0.00 31.44 29.48 2dar n GLU 50 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2dar n GLU 51 N -2.38 0.65 -1.51 3.49 1.02 -0.96 -4.90 120.64 116.05 2dar n GLU 51 Ca -0.17 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 2dar n GLU 51 Cb 0.81 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.58 2dar n GLU 51 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dar n PHE 52 N -3.15 0.50 -4.23 -0.32 7.35 0.57 -4.84 117.46 113.35 2dar n PHE 52 Ca -0.42 0.17 -0.13 0.00 -0.76 0.00 0.00 57.45 56.31 2dar n PHE 52 Cb 0.98 -1.73 -0.10 0.00 0.35 0.00 0.00 39.48 38.98 2dar n PHE 52 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2dar s ASN 53 N 6.17 0.85 1.23 -2.13 2.20 -1.26 -2.22 114.94 119.79 2dar s ASN 53 Ca 1.26 -1.24 -0.18 0.00 -0.94 0.00 0.00 52.86 51.76 2dar s ASN 53 Cb -0.89 0.20 0.30 0.00 -2.00 0.00 0.00 41.25 38.86 2dar s ASN 53 CO 0.46 -0.67 1.03 0.00 -2.94 0.00 0.00 177.10 174.98 2dar n ALA 55 N -4.99 1.65 -0.09 0.00 0.00 -1.17 -3.64 120.51 112.27 2dar n ALA 55 Ca 0.09 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.20 2dar n ALA 55 Cb 0.58 -0.23 -0.04 0.00 0.00 0.00 0.00 19.45 19.76 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 0.99 0.00 -0.00 -1.26 -4.53 115.22 107.73 2dar n HIS 56 Ca -0.29 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.57 2dar n HIS 56 Cb 1.08 -0.55 0.59 0.00 -0.00 0.00 0.00 29.99 31.10 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 -1.53 -1.80 -4.30 0.00 4.76 -1.24 -4.88 118.16 109.18 2dar n LYS 58 Ca 0.07 0.21 -0.28 0.00 -2.87 0.00 0.00 58.31 55.43 2dar n LYS 58 Cb 0.34 -4.07 -0.11 0.00 -1.84 0.00 0.00 35.03 29.36 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 -4.21 4.03 -0.04 4.39 0.01 -1.26 -4.60 114.94 113.26 2dar s ASN 59 Ca 0.12 -0.57 -0.39 0.00 -0.71 0.00 0.00 52.86 51.31 2dar s ASN 59 Cb -0.07 -0.61 -0.18 0.00 0.41 0.00 0.00 41.25 40.80 2dar s ASN 59 CO 0.96 0.15 1.32 1.07 -1.51 0.00 0.00 177.10 179.09 2dar n THR 60 N 0.49 0.04 -1.90 1.60 5.66 -1.26 -1.04 114.28 117.87 2dar n THR 60 Ca -0.13 -0.01 -0.25 0.00 -3.05 0.00 0.00 64.05 60.61 2dar n THR 60 Cb 0.54 -0.56 0.04 0.00 -1.55 0.00 0.00 70.33 68.79 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 2.64 3.41 -0.07 1.09 2.81 -0.94 -4.71 117.12 121.35 2dar n MET 61 Ca 0.21 -4.01 -0.07 0.00 -1.81 0.00 0.00 57.70 52.02 2dar n MET 61 Cb 0.12 -2.26 -0.03 0.00 -0.71 0.00 0.00 33.22 30.34 2dar n MET 61 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dar h ALA 62 N 2.11 0.04 -0.09 3.04 0.00 -1.90 -3.41 119.26 119.05 2dar h ALA 62 Ca 0.39 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2dar h ALA 62 Cb 1.42 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2dar h ALA 62 CO 0.86 0.50 -0.37 1.88 0.00 0.00 0.00 179.25 182.12 2dar h TYR 63 N -1.00 0.54 -4.07 0.00 0.05 -1.96 -3.44 116.97 107.09 2dar h TYR 63 Ca -0.06 -0.23 -0.45 0.00 0.05 0.00 0.00 58.73 58.05 2dar h TYR 63 Cb 0.61 -0.09 0.15 0.00 1.01 0.00 0.00 36.73 38.41 2dar h TYR 63 CO -0.15 0.98 0.35 0.96 -1.05 0.00 0.00 178.16 179.24 2dar s ILE 64 N -3.70 1.93 0.00 -2.88 -4.36 -1.26 -5.03 121.20 105.90 2dar s ILE 64 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.25 2dar s ILE 64 Cb 0.04 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.89 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 -2.91 0.81 3.59 6.27 0.00 -1.26 -4.82 105.19 106.86 2dar n GLY 65 Ca 0.12 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 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 0.50 -0.32 -0.12 1.61 -0.12 -1.18 -3.97 117.98 114.37 2dar s PHE 66 Ca 0.00 0.55 0.02 0.00 -0.05 0.00 0.00 56.93 57.45 2dar s PHE 66 Cb 0.00 0.46 -0.00 0.00 -0.63 0.00 0.00 43.02 42.84 2dar s PHE 66 CO 0.00 -0.30 -0.20 0.08 -0.05 0.00 0.00 175.22 174.75 2dar s VAL 67 N -1.13 2.38 -0.47 -2.49 1.01 0.21 -0.27 120.40 119.65 2dar s VAL 67 Ca -0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 2dar s VAL 67 Cb -0.01 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2dar s VAL 67 CO 0.00 0.54 0.79 -0.70 0.00 0.00 0.00 175.10 175.73 2dar s GLU 68 N 0.47 3.37 -0.05 2.72 2.12 -1.25 -0.88 118.70 125.19 2dar s GLU 68 Ca -0.14 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 2dar s GLU 68 Cb -0.17 -3.96 0.04 0.00 0.26 0.00 0.00 34.13 30.29 2dar s GLU 68 CO 0.06 -1.16 0.09 -2.00 -0.54 0.00 0.00 175.26 171.70 2dar s GLU 69 N 3.30 -0.03 -1.40 4.30 2.56 0.08 -4.87 118.70 122.64 2dar s GLU 69 Ca 0.29 0.40 -0.06 0.00 0.00 0.00 0.00 54.97 55.60 2dar s GLU 69 Cb -0.13 -0.39 0.03 0.00 2.00 0.00 0.00 34.13 35.65 2dar s GLU 69 CO 0.21 -0.29 0.82 1.63 -0.56 0.00 0.00 175.26 177.07 2dar n LYS 70 N 5.08 -5.18 -3.41 4.30 4.76 -1.26 -1.96 118.16 120.49 2dar n LYS 70 Ca -0.08 0.61 -0.18 0.00 -2.87 0.00 0.00 58.31 55.78 2dar n LYS 70 Cb 0.50 -5.30 0.08 0.00 -1.84 0.00 0.00 35.03 28.47 2dar n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dar n GLY 71 N -1.65 -0.36 3.37 0.72 0.00 -1.26 -5.02 105.19 101.00 2dar n GLY 71 Ca -0.16 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.32 -1.24 -0.35 4.61 0.00 -0.83 -5.14 121.76 115.50 2dar s ALA 72 Ca 0.20 1.60 -0.13 0.00 0.00 0.00 0.00 51.96 53.64 2dar s ALA 72 Cb -0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2dar s ALA 72 CO 0.68 -0.27 0.24 -0.51 0.00 0.00 0.00 175.76 175.91 2dar s LEU 73 N 0.98 4.60 -0.20 0.00 1.43 -1.25 -0.74 118.68 123.50 2dar s LEU 73 Ca -0.06 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2dar s LEU 73 Cb -0.06 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 2dar s LEU 73 CO -0.08 -0.27 -0.05 -0.31 0.23 0.00 0.00 176.35 175.86 2dar s TYR 74 N 1.70 2.94 0.70 0.29 2.02 -0.06 -3.02 117.35 121.92 2dar s TYR 74 Ca 0.06 -0.83 -0.16 0.00 -0.37 0.00 0.00 57.07 55.76 2dar s TYR 74 Cb -0.18 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.35 2dar s TYR 74 CO 0.10 -0.45 1.24 0.00 -1.57 0.00 0.00 175.55 174.87 2dar h GLU 76 N 0.05 0.22 0.53 0.00 4.11 -1.92 0.10 114.58 117.68 2dar h GLU 76 Ca -0.49 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.91 2dar h GLU 76 Cb 1.31 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 2dar h GLU 76 CO 0.51 0.15 -0.31 -0.07 0.07 0.00 0.00 179.01 179.36 2dar h LEU 77 N 0.23 -0.77 0.71 3.06 3.38 -1.92 0.39 115.31 120.39 2dar h LEU 77 Ca 0.75 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.74 2dar h LEU 77 Cb 1.99 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.96 2dar h LEU 77 CO -0.52 -0.49 -0.43 0.00 0.09 0.00 0.00 178.44 177.08 2dar h TYR 79 N -1.07 -1.37 0.00 0.00 5.03 -1.25 0.33 116.97 118.63 2dar h TYR 79 Ca -0.09 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.24 2dar h TYR 79 Cb 0.86 0.57 0.00 0.00 1.55 0.00 0.00 36.73 39.71 2dar h TYR 79 CO -0.10 -0.60 0.40 1.49 -1.32 0.00 0.00 178.16 178.03 2dar h GLU 80 N -0.82 0.00 0.00 1.82 4.57 -0.21 0.41 114.58 120.35 2dar h GLU 80 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2dar h GLU 80 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2dar h GLU 80 CO -0.19 0.00 -0.36 1.63 -1.18 0.00 0.00 179.01 178.91 2dar n LYS 81 N -2.57 0.30 0.30 1.92 5.02 0.29 -3.80 118.16 119.61 2dar n LYS 81 Ca -0.01 0.40 -0.12 0.00 -2.02 0.00 0.00 58.31 56.55 2dar n LYS 81 Cb 0.43 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 2dar n LYS 81 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2dar h PHE 82 N -0.65 -0.74 0.00 2.13 0.04 0.01 -3.34 116.94 114.40 2dar h PHE 82 Ca 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2dar h PHE 82 Cb 0.36 0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.75 2dar h PHE 82 CO -0.15 -0.46 0.00 1.19 -0.60 0.00 0.00 178.31 178.29 2dar n PHE 83 N -5.00 0.00 -2.05 -0.55 3.01 0.14 -3.85 117.46 109.16 2dar n PHE 83 Ca -0.10 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.04 2dar n PHE 83 Cb 0.31 -0.31 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 2dar n PHE 83 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dar n ALA 84 N -1.52 2.35 -2.51 4.37 0.00 -0.93 -4.92 120.51 117.34 2dar n ALA 84 Ca 0.00 -3.21 -0.43 0.00 0.00 0.00 0.00 53.44 49.80 2dar n ALA 84 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 19.45 15.91 2dar n ALA 84 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dar s SER 85 N 5.86 7.05 0.00 0.00 0.01 -1.25 -4.31 113.70 121.05 2dar s SER 85 Ca 0.64 1.66 0.00 0.00 1.31 0.00 0.00 55.95 59.56 2dar s SER 85 Cb 0.02 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dar s SER 85 CO 0.12 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.74 2dar n GLY 86 N 3.41 0.57 0.00 3.44 0.00 -1.26 -4.56 105.19 106.80 2dar n GLY 86 Ca 0.12 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.17 2dar n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dar n PRO 87 N 0.00 0.49 -1.69 1.61 -0.04 -1.26 -4.80 135.00 129.31 2dar n PRO 87 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2dar n PRO 87 Cb 0.00 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 2dar n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dar s SER 88 N -1.81 6.44 -0.46 3.54 0.15 -1.26 -4.95 113.70 115.35 2dar s SER 88 Ca 0.14 2.69 0.04 0.00 0.70 0.00 0.00 55.95 59.52 2dar s SER 88 Cb 0.07 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.96 2dar s SER 88 CO 0.11 -1.04 0.20 -0.44 1.20 0.00 0.00 173.24 173.27 2dar s SER 89 N 3.91 4.41 0.00 5.45 0.01 -1.26 -5.03 113.70 121.19 2dar s SER 89 Ca 0.86 -2.74 0.00 0.00 1.31 0.00 0.00 55.95 55.38 2dar s SER 89 Cb -0.43 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.19 2dar s SER 89 CO 0.40 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.38