#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 6.60 -0.19 1.61 1.04 -1.26 -5.06 113.70 116.44 2dar s SER 2 Ca 0.00 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 2dar s SER 2 Cb 0.00 -2.27 0.06 0.00 0.10 0.00 0.00 66.02 63.91 2dar s SER 2 CO 0.00 -0.04 0.47 -0.94 0.98 0.00 0.00 173.24 173.71 2dar s SER 3 N 0.79 -0.58 0.00 7.02 1.04 -1.26 -5.01 113.70 115.69 2dar s SER 3 Ca 0.24 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2dar s SER 3 Cb -0.15 0.91 0.00 0.00 0.10 0.00 0.00 66.02 66.88 2dar s SER 3 CO 0.09 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2dar n GLY 4 N 4.01 -0.08 3.72 7.32 0.00 -1.26 -5.12 105.19 113.77 2dar n GLY 4 Ca -0.21 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2dar n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dar s SER 5 N 0.00 6.99 -0.10 1.61 0.15 -1.26 -5.02 113.70 116.07 2dar s SER 5 Ca 0.00 2.15 -0.04 0.00 0.70 0.00 0.00 55.95 58.76 2dar s SER 5 Cb 0.00 -2.59 0.05 0.00 -1.71 0.00 0.00 66.02 61.77 2dar s SER 5 CO 0.00 -0.52 0.22 -0.94 1.20 0.00 0.00 173.24 173.19 2dar s SER 6 N 0.95 0.08 0.00 5.45 1.04 -1.26 -5.12 113.70 114.84 2dar s SER 6 Ca 0.60 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2dar s SER 6 Cb -0.32 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2dar s SER 6 CO 0.31 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.94 2dar n GLY 7 N 4.67 0.77 3.30 7.32 0.00 -1.26 -4.85 105.19 115.15 2dar n GLY 7 Ca -0.18 -1.93 -0.46 0.00 0.00 0.00 0.00 46.02 43.46 2dar n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dar s ASP 8 N -0.76 6.49 -0.11 1.61 1.11 -1.26 -5.04 116.67 118.70 2dar s ASP 8 Ca 0.00 -2.51 -0.04 0.00 0.18 0.00 0.00 52.55 50.17 2dar s ASP 8 Cb 0.00 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.78 2dar s ASP 8 CO 0.00 -0.61 0.04 -1.10 1.18 0.00 0.00 175.17 174.68 2dar s GLN 9 N 0.45 3.31 -0.10 8.23 1.11 -1.26 -4.99 119.66 126.40 2dar s GLN 9 Ca 0.15 -0.33 0.15 0.00 0.01 0.00 0.00 55.36 55.33 2dar s GLN 9 Cb -0.15 -2.97 0.23 0.00 -1.01 0.00 0.00 33.01 29.10 2dar s GLN 9 CO -0.06 0.62 1.12 -3.47 0.01 0.00 0.00 175.29 173.51 2dar n ASP 10 N 2.42 1.85 -4.59 5.90 2.03 -1.26 -5.05 116.55 117.85 2dar n ASP 10 Ca -0.19 -2.85 -0.26 0.00 0.52 0.00 0.00 54.79 52.01 2dar n ASP 10 Cb 0.54 -0.38 -0.09 0.00 -0.72 0.00 0.00 41.12 40.47 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 -2.26 3.30 0.24 5.18 2.01 -1.26 -5.03 115.64 117.82 2dar s THR 11 Ca 0.25 -1.64 -0.01 0.00 0.31 0.00 0.00 61.69 60.60 2dar s THR 11 Cb 0.22 -2.65 0.04 0.00 0.01 0.00 0.00 72.50 70.12 2dar s THR 11 CO 0.02 -0.13 1.66 -0.07 -0.69 0.00 0.00 174.62 175.41 2dar h LEU 12 N 2.79 0.63 -6.39 4.42 -0.00 -1.96 -3.45 115.31 111.35 2dar h LEU 12 Ca -0.46 -0.23 -0.59 0.00 -0.00 0.00 0.00 57.88 56.59 2dar h LEU 12 Cb 1.21 -0.17 0.02 0.00 -0.00 0.00 0.00 40.66 41.72 2dar h LEU 12 CO 0.55 0.87 0.28 0.52 -0.00 0.00 0.00 178.44 180.67 2dar n VAL 13 N -4.10 0.00 -3.82 1.22 0.31 -1.26 -4.83 118.33 105.85 2dar n VAL 13 Ca -0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2dar n VAL 13 Cb 0.44 -0.19 -0.01 0.00 -0.91 0.00 0.00 33.84 33.17 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 2.01 1.14 -3.67 5.55 6.02 0.79 -4.87 117.38 124.35 2dar n GLN 14 Ca 0.18 -1.75 -0.11 0.00 -0.01 0.00 0.00 57.00 55.31 2dar n GLN 14 Cb 0.00 0.24 -0.12 0.00 1.02 0.00 0.00 30.24 31.39 2dar n GLN 14 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2dar s ARG 15 N -3.09 0.25 -0.17 -1.09 0.52 -1.26 -3.25 118.95 110.85 2dar s ARG 15 Ca 0.13 0.83 -0.28 0.00 -0.52 0.00 0.00 55.73 55.89 2dar s ARG 15 Cb -0.01 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 2dar s ARG 15 CO 0.08 -0.24 0.95 0.00 0.02 0.00 0.00 175.30 176.11 2dar s ALA 16 N 2.20 3.53 -0.15 2.13 0.00 -1.26 -4.93 121.76 123.27 2dar s ALA 16 Ca -0.03 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 2dar s ALA 16 Cb -0.11 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2dar s ALA 16 CO -0.11 -0.76 1.71 -2.00 0.00 0.00 0.00 175.76 174.60 2dar s GLU 17 N 2.43 3.87 -0.39 0.00 2.12 -1.15 -4.78 118.70 120.79 2dar s GLU 17 Ca 0.43 1.92 -0.28 0.00 0.36 0.00 0.00 54.97 57.40 2dar s GLU 17 Cb -0.17 -4.06 -0.02 0.00 0.26 0.00 0.00 34.13 30.14 2dar s GLU 17 CO 0.12 -1.21 1.81 -1.01 -0.54 0.00 0.00 175.26 174.43 2dar s HIS 18 N 5.09 1.78 -0.21 5.30 3.76 -1.26 -3.14 115.29 126.61 2dar s HIS 18 Ca 0.76 0.68 -0.15 0.00 -0.15 0.00 0.00 55.06 56.20 2dar s HIS 18 Cb -0.29 -4.11 -0.04 0.00 1.11 0.00 0.00 32.58 29.24 2dar s HIS 18 CO 0.31 -2.78 0.37 0.42 -0.85 0.00 0.00 174.74 172.21 2dar s ILE 19 N 7.39 5.21 0.93 0.60 -1.09 -0.22 -5.00 121.20 129.04 2dar s ILE 19 Ca 0.77 0.65 -0.12 0.00 -2.23 0.00 0.00 60.65 59.73 2dar s ILE 19 Cb -0.20 -3.71 0.15 0.00 -1.58 0.00 0.00 42.46 37.12 2dar s ILE 19 CO 0.31 0.26 1.09 -2.16 -1.23 0.00 0.00 174.94 173.21 2dar s PRO 20 N 1.30 0.96 0.54 2.79 0.04 -1.26 -1.49 135.00 137.88 2dar s PRO 20 Ca 0.18 0.72 -0.19 0.00 0.04 0.00 0.00 61.00 61.74 2dar s PRO 20 Cb -0.15 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2dar s PRO 20 CO 0.08 -2.42 1.10 0.00 0.04 0.00 0.00 177.00 175.80 2dar s ALA 21 N -2.94 2.74 0.00 8.56 0.00 -1.26 -3.68 121.76 125.17 2dar s ALA 21 Ca 0.64 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2dar s ALA 21 Cb -0.18 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2dar s ALA 21 CO 0.57 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2dar n GLY 22 N -0.06 1.99 0.37 0.00 0.00 -1.25 -4.79 105.19 101.44 2dar n GLY 22 Ca 0.11 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2dar n GLY 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dar n LYS 23 N 0.00 -0.38 -3.77 1.61 0.00 -1.24 -4.69 118.16 109.69 2dar n LYS 23 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 58.31 59.57 2dar n LYS 23 Cb 0.00 -2.03 -0.08 0.00 0.00 0.00 0.00 35.03 32.92 2dar n LYS 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dar s ARG 24 N -5.29 0.76 -0.48 1.64 3.52 -1.26 -5.10 118.95 112.74 2dar s ARG 24 Ca -0.10 -0.46 0.08 0.00 -0.13 0.00 0.00 55.73 55.12 2dar s ARG 24 Cb 0.10 0.33 0.28 0.00 -1.56 0.00 0.00 34.95 34.09 2dar s ARG 24 CO 0.54 -0.23 0.68 0.25 -0.81 0.00 0.00 175.30 175.73 2dar n THR 25 N 0.75 0.79 -1.69 4.11 -2.24 -1.26 -4.89 114.28 109.85 2dar n THR 25 Ca -0.19 -4.68 -0.33 0.00 -2.27 0.00 0.00 64.05 56.58 2dar n THR 25 Cb 0.59 -1.61 0.05 0.00 -2.10 0.00 0.00 70.33 67.26 2dar n THR 25 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dar s PRO 26 N -2.10 2.72 -0.13 -0.78 0.04 -1.26 -4.38 135.00 129.12 2dar s PRO 26 Ca 0.39 1.36 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 2dar s PRO 26 Cb 0.21 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dar s PRO 26 CO -0.08 -1.31 1.19 1.41 0.04 0.00 0.00 177.00 178.25 2dar s MET 27 N -4.20 4.30 1.04 4.56 1.75 -1.26 -2.42 119.30 123.07 2dar s MET 27 Ca 0.66 1.60 -0.18 0.00 -1.25 0.00 0.00 55.69 56.53 2dar s MET 27 Cb -0.20 -3.65 0.03 0.00 2.84 0.00 0.00 34.83 33.85 2dar s MET 27 CO 0.44 -0.56 -0.12 0.00 -0.65 0.00 0.00 175.02 174.12 2dar n ALA 29 N -3.90 1.62 0.01 0.00 0.00 -1.12 -3.69 120.51 113.44 2dar n ALA 29 Ca 0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 53.44 52.64 2dar n ALA 29 Cb 0.61 0.05 -0.01 0.00 0.00 0.00 0.00 19.45 20.10 2dar n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dar h HIS 30 N 0.00 -0.07 0.00 0.00 -0.00 -1.93 -3.36 115.15 109.78 2dar h HIS 30 Ca -0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 2dar h HIS 30 Cb 1.69 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.12 2dar h HIS 30 CO 0.02 -0.04 -0.02 0.00 -0.00 0.00 0.00 177.93 177.88 2dar n ASN 32 N -2.70 -5.72 -4.55 0.00 2.85 -1.24 -4.99 115.26 98.89 2dar n ASN 32 Ca 0.05 -0.21 -0.32 0.00 -0.11 0.00 0.00 54.58 53.98 2dar n ASN 32 Cb 0.48 -4.60 -0.11 0.00 1.24 0.00 0.00 39.78 36.79 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2dar s GLN 33 N -5.46 2.51 0.10 1.20 -0.21 -1.26 -4.65 119.66 111.89 2dar s GLN 33 Ca 0.22 -0.72 -0.33 0.00 0.02 0.00 0.00 55.36 54.55 2dar s GLN 33 Cb -0.10 -2.45 -0.12 0.00 1.00 0.00 0.00 33.01 31.35 2dar s GLN 33 CO 0.27 0.61 1.76 1.55 -2.12 0.00 0.00 175.29 177.36 2dar n VAL 34 N 1.81 0.27 -3.04 1.09 3.14 -1.26 -1.55 118.33 118.79 2dar n VAL 34 Ca -0.16 -0.05 -0.42 0.00 -2.96 0.00 0.00 64.34 60.75 2dar n VAL 34 Cb 0.52 -1.89 -0.06 0.00 -1.06 0.00 0.00 33.84 31.35 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 2.34 4.83 -0.15 1.55 1.01 -1.01 -4.91 121.20 124.86 2dar s ILE 35 Ca 0.83 0.76 -0.19 0.00 0.00 0.00 0.00 60.65 62.05 2dar s ILE 35 Cb -0.58 -4.12 -0.17 0.00 0.01 0.00 0.00 42.46 37.60 2dar s ILE 35 CO 0.40 -0.34 0.37 0.03 0.00 0.00 0.00 174.94 175.41 2dar h ARG 36 N 8.42 0.00 0.00 2.79 3.08 -1.90 -3.38 114.38 123.38 2dar h ARG 36 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 2dar h ARG 36 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2dar h ARG 36 CO 0.86 0.69 0.00 0.41 -1.07 0.00 0.00 179.97 180.86 2dar n GLY 37 N 1.60 -0.10 3.76 0.04 0.00 -1.26 -3.81 105.19 105.42 2dar n GLY 37 Ca -0.13 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 4.44 0.34 1.61 0.04 -1.26 -4.42 135.00 135.75 2dar s PRO 38 Ca 0.00 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.12 2dar s PRO 38 Cb 0.00 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 2dar s PRO 38 CO 0.00 -0.10 0.09 -0.59 0.04 0.00 0.00 177.00 176.44 2dar s PHE 39 N -0.74 1.81 -0.15 0.56 -0.12 -0.55 -4.48 117.98 114.30 2dar s PHE 39 Ca 0.50 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 2dar s PHE 39 Cb -0.37 -1.15 0.00 0.00 -0.63 0.00 0.00 43.02 40.88 2dar s PHE 39 CO 0.45 -0.18 -0.18 -0.51 -0.05 0.00 0.00 175.22 174.76 2dar s LEU 40 N -3.48 2.35 -0.37 -1.99 1.43 -0.35 -1.05 118.68 115.21 2dar s LEU 40 Ca 0.33 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 2dar s LEU 40 Cb 0.07 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.77 2dar s LEU 40 CO 0.15 0.08 0.24 0.54 0.23 0.00 0.00 176.35 177.59 2dar s VAL 41 N 0.81 4.98 0.20 -1.59 0.11 -1.19 -0.43 120.40 123.30 2dar s VAL 41 Ca -0.06 -0.59 -0.09 0.00 -2.93 0.00 0.00 61.98 58.31 2dar s VAL 41 Cb -0.15 -3.70 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 2dar s VAL 41 CO -0.01 -0.18 0.33 0.00 -3.33 0.00 0.00 175.10 171.92 2dar s ALA 42 N 1.64 0.10 -1.17 1.54 0.00 0.21 -2.95 121.76 121.13 2dar s ALA 42 Ca 0.04 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 2dar s ALA 42 Cb -0.18 1.03 0.13 0.00 0.00 0.00 0.00 23.12 24.10 2dar s ALA 42 CO 0.09 -0.72 0.40 1.28 0.00 0.00 0.00 175.76 176.81 2dar n LEU 43 N -0.29 -0.77 -3.00 0.00 7.99 -1.26 0.11 117.00 119.78 2dar n LEU 43 Ca -0.04 -0.52 -0.20 0.00 -0.01 0.00 0.00 56.01 55.25 2dar n LEU 43 Cb 0.63 -1.55 0.06 0.00 -0.11 0.00 0.00 43.42 42.45 2dar n LEU 43 CO 0.25 0.09 0.17 0.61 -1.51 0.00 0.00 177.39 177.00 2dar n GLY 44 N -0.93 -0.31 3.82 -0.72 0.00 -1.26 -4.98 105.19 100.82 2dar n GLY 44 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.00 1.63 0.26 1.61 1.02 0.31 -5.18 119.74 113.38 2dar s LYS 45 Ca 0.45 -0.99 0.09 0.00 0.02 0.00 0.00 55.97 55.54 2dar s LYS 45 Cb -0.20 0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 2dar s LYS 45 CO 0.56 -0.76 -0.00 -1.54 -0.92 0.00 0.00 175.35 172.69 2dar s SER 46 N -3.11 4.57 0.13 2.83 1.04 -1.26 0.66 113.70 118.57 2dar s SER 46 Ca 0.16 -0.61 -0.17 0.00 0.48 0.00 0.00 55.95 55.80 2dar s SER 46 Cb -0.04 -0.87 0.04 0.00 0.10 0.00 0.00 66.02 65.26 2dar s SER 46 CO 0.07 0.01 0.43 0.26 0.98 0.00 0.00 173.24 174.99 2dar s TRP 47 N -2.25 -0.26 0.08 5.02 0.52 0.43 -2.77 118.94 119.70 2dar s TRP 47 Ca 0.31 -0.03 -0.26 0.00 0.02 0.00 0.00 56.10 56.14 2dar s TRP 47 Cb -0.07 0.31 -0.06 0.00 -1.15 0.00 0.00 33.47 32.50 2dar s TRP 47 CO 0.20 -0.72 0.80 -1.01 0.02 0.00 0.00 176.95 176.23 2dar s HIS 48 N -3.77 3.78 -1.87 -1.98 3.76 -1.26 -1.21 115.29 112.74 2dar s HIS 48 Ca 0.02 1.55 0.15 0.00 -0.15 0.00 0.00 55.06 56.64 2dar s HIS 48 Cb 0.01 -2.85 0.89 0.00 1.11 0.00 0.00 32.58 31.74 2dar s HIS 48 CO -0.12 0.30 1.36 -0.35 -0.85 0.00 0.00 174.74 175.08 2dar n PRO 49 N 2.60 0.42 -0.04 8.40 -0.04 -1.26 -0.33 135.00 144.76 2dar n PRO 49 Ca -0.02 0.03 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2dar n PRO 49 Cb 0.50 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.35 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 -1.07 1.17 -0.13 0.54 1.02 -1.26 -4.65 120.64 116.27 2dar n GLU 50 Ca 0.11 -0.06 -0.18 0.00 -0.02 0.00 0.00 57.16 57.00 2dar n GLU 50 Cb 0.07 -1.35 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 2dar n GLU 50 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2dar n GLU 51 N -2.27 0.65 -1.51 3.49 1.02 -0.95 -4.90 120.64 116.17 2dar n GLU 51 Ca -0.13 0.15 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 2dar n GLU 51 Cb 0.68 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 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 -3.25 0.65 -4.48 -0.32 7.35 0.55 -4.85 117.46 113.11 2dar n PHE 52 Ca -0.45 0.25 -0.24 0.00 -0.76 0.00 0.00 57.45 56.25 2dar n PHE 52 Cb 1.00 -2.11 -0.09 0.00 0.35 0.00 0.00 39.48 38.62 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 8.12 2.57 0.91 -2.13 2.20 -1.26 -3.26 114.94 122.09 2dar s ASN 53 Ca 1.26 -1.52 -0.14 0.00 -0.94 0.00 0.00 52.86 51.53 2dar s ASN 53 Cb -0.93 0.21 0.14 0.00 -2.00 0.00 0.00 41.25 38.67 2dar s ASN 53 CO 0.44 -0.77 1.20 0.00 -2.94 0.00 0.00 177.10 175.03 2dar n ALA 55 N -3.68 2.22 -0.03 0.00 0.00 -1.03 -3.25 120.51 114.74 2dar n ALA 55 Ca 0.10 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 2dar n ALA 55 Cb 0.60 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.70 0.00 0.29 0.00 -0.00 -1.26 -4.67 115.22 106.88 2dar n HIS 56 Ca -0.08 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.72 2dar n HIS 56 Cb 0.74 -0.31 0.24 0.00 -0.00 0.00 0.00 29.99 30.65 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 1.03 -1.00 -4.05 0.00 -0.00 -1.20 -4.69 118.16 108.25 2dar n LYS 58 Ca 0.18 -0.16 -0.22 0.00 -0.00 0.00 0.00 58.31 58.11 2dar n LYS 58 Cb 0.46 0.07 -0.04 0.00 -0.00 0.00 0.00 35.03 35.52 2dar n LYS 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dar s ASN 59 N -3.72 5.46 -0.15 -5.58 4.22 -1.26 -4.35 114.94 109.56 2dar s ASN 59 Ca 0.01 -0.31 -0.29 0.00 -2.14 0.00 0.00 52.86 50.13 2dar s ASN 59 Cb -0.01 -1.30 -0.06 0.00 1.28 0.00 0.00 41.25 41.16 2dar s ASN 59 CO 0.07 -0.11 2.15 1.07 -2.04 0.00 0.00 177.10 178.25 2dar n THR 60 N -1.22 0.46 -1.41 0.54 5.66 -1.26 -1.81 114.28 115.23 2dar n THR 60 Ca -0.06 -0.37 -0.32 0.00 -3.05 0.00 0.00 64.05 60.25 2dar n THR 60 Cb 0.58 -2.47 0.08 0.00 -1.55 0.00 0.00 70.33 66.98 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 8.39 2.75 -0.09 1.09 0.00 -1.20 -4.55 117.12 123.50 2dar n MET 61 Ca 0.28 -3.38 -0.17 0.00 0.00 0.00 0.00 57.70 54.43 2dar n MET 61 Cb 0.43 -2.27 -0.10 0.00 0.00 0.00 0.00 33.22 31.29 2dar n MET 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dar h ALA 62 N 1.90 0.17 0.00 3.04 0.00 -1.89 -3.42 119.26 119.07 2dar h ALA 62 Ca 0.57 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2dar h ALA 62 Cb 1.12 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2dar h ALA 62 CO 1.41 0.54 -0.26 1.88 0.00 0.00 0.00 179.25 182.83 2dar h TYR 63 N -1.00 0.00 -3.54 0.00 0.05 -1.96 -3.44 116.97 107.08 2dar h TYR 63 Ca -0.23 0.00 -0.42 0.00 0.05 0.00 0.00 58.73 58.13 2dar h TYR 63 Cb 1.08 0.00 0.19 0.00 1.01 0.00 0.00 36.73 39.00 2dar h TYR 63 CO 0.07 1.05 0.12 0.96 -1.05 0.00 0.00 178.16 179.31 2dar s ILE 64 N -2.22 1.68 0.00 -2.88 -4.36 -1.26 -5.02 121.20 107.13 2dar s ILE 64 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 2dar s ILE 64 Cb -0.01 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2dar s ILE 64 CO 0.64 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.43 2dar n GLY 65 N -0.78 0.07 3.56 6.27 0.00 -1.26 -4.85 105.19 108.20 2dar n GLY 65 Ca 0.11 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.09 -0.26 -0.04 1.61 -0.12 -1.20 -3.79 117.98 114.09 2dar s PHE 66 Ca 0.00 0.26 0.01 0.00 -0.05 0.00 0.00 56.93 57.15 2dar s PHE 66 Cb 0.00 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2dar s PHE 66 CO 0.00 -0.35 -0.04 0.08 -0.05 0.00 0.00 175.22 174.86 2dar s VAL 67 N -2.27 0.46 -0.22 -2.49 1.01 0.18 -0.15 120.40 116.93 2dar s VAL 67 Ca 0.05 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 2dar s VAL 67 Cb -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2dar s VAL 67 CO -0.05 0.20 0.55 -0.70 0.00 0.00 0.00 175.10 175.10 2dar s GLU 68 N 0.82 4.16 -0.20 2.72 2.12 -1.26 -0.37 118.70 126.69 2dar s GLU 68 Ca -0.10 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.59 2dar s GLU 68 Cb -0.13 -3.59 0.09 0.00 0.26 0.00 0.00 34.13 30.75 2dar s GLU 68 CO -0.00 -0.23 0.44 -2.00 -0.54 0.00 0.00 175.26 172.93 2dar s GLU 69 N 1.89 0.36 -1.31 4.30 2.56 0.10 -4.92 118.70 121.67 2dar s GLU 69 Ca 0.24 1.01 -0.06 0.00 0.00 0.00 0.00 54.97 56.17 2dar s GLU 69 Cb -0.16 0.28 0.01 0.00 2.00 0.00 0.00 34.13 36.26 2dar s GLU 69 CO 0.09 -0.22 1.08 1.63 -0.56 0.00 0.00 175.26 177.28 2dar n LYS 70 N 5.11 -7.13 -3.33 4.30 5.02 -1.26 -2.88 118.16 117.98 2dar n LYS 70 Ca -0.12 0.81 -0.16 0.00 -2.02 0.00 0.00 58.31 56.81 2dar n LYS 70 Cb 0.51 -5.81 0.08 0.00 -0.02 0.00 0.00 35.03 29.79 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 -1.64 -0.60 3.62 0.72 0.00 -1.26 -5.02 105.19 101.00 2dar n GLY 71 Ca -0.12 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.36 -1.91 -0.23 4.61 0.00 -1.14 -5.15 121.76 114.58 2dar s ALA 72 Ca 0.15 1.81 -0.08 0.00 0.00 0.00 0.00 51.96 53.84 2dar s ALA 72 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 2dar s ALA 72 CO 0.72 -0.28 0.10 -0.51 0.00 0.00 0.00 175.76 175.78 2dar s LEU 73 N -0.09 3.74 -0.13 0.00 1.43 -1.26 -0.73 118.68 121.64 2dar s LEU 73 Ca 0.01 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 2dar s LEU 73 Cb -0.04 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.20 2dar s LEU 73 CO -0.02 0.04 -0.22 -0.31 0.23 0.00 0.00 176.35 176.07 2dar s TYR 74 N 1.19 2.64 0.53 0.29 2.02 0.50 -2.46 117.35 122.05 2dar s TYR 74 Ca 0.05 -1.24 -0.22 0.00 -0.37 0.00 0.00 57.07 55.29 2dar s TYR 74 Cb -0.14 -1.79 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 2dar s TYR 74 CO 0.04 -0.55 1.33 0.00 -1.57 0.00 0.00 175.55 174.80 2dar n GLU 76 N -0.91 -0.04 0.21 0.00 -0.00 -1.25 0.60 120.64 119.25 2dar n GLU 76 Ca 0.10 1.24 -0.15 0.00 -0.00 0.00 0.00 57.16 58.35 2dar n GLU 76 Cb 0.45 -2.41 -0.08 0.00 -0.00 0.00 0.00 31.44 29.40 2dar n GLU 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2dar h LEU 77 N 0.00 -0.40 0.12 -1.84 3.38 -1.92 -1.63 115.31 113.03 2dar h LEU 77 Ca 0.85 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.80 2dar h LEU 77 Cb 2.66 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 43.51 2dar h LEU 77 CO -0.51 -0.24 -0.08 0.00 0.09 0.00 0.00 178.44 177.70 2dar h TYR 79 N -0.19 -0.63 -0.81 0.00 5.03 -1.25 0.21 116.97 119.32 2dar h TYR 79 Ca -0.01 0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.51 2dar h TYR 79 Cb 0.16 0.28 -0.05 0.00 1.55 0.00 0.00 36.73 38.67 2dar h TYR 79 CO -0.08 -0.22 0.55 1.49 -1.32 0.00 0.00 178.16 178.57 2dar h GLU 80 N -0.26 0.28 -0.21 1.82 4.81 -1.30 1.78 114.58 121.50 2dar h GLU 80 Ca 0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2dar h GLU 80 Cb 0.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2dar h GLU 80 CO -0.15 0.18 0.04 0.87 -0.73 0.00 0.00 179.01 179.22 2dar h LYS 81 N 0.28 0.34 0.00 1.92 1.57 0.38 -2.38 116.57 118.68 2dar h LYS 81 Ca 0.41 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2dar h LYS 81 Cb 1.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2dar h LYS 81 CO -0.11 0.48 -0.45 1.19 -0.57 0.00 0.00 179.45 179.98 2dar n PHE 82 N -4.75 0.65 0.24 -1.35 3.72 0.59 -4.44 117.46 112.12 2dar n PHE 82 Ca -0.04 0.28 -0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2dar n PHE 82 Cb 0.18 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.03 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 -0.80 -0.85 0.00 1.38 -1.00 0.25 -3.22 116.94 112.70 2dar h PHE 83 Ca 0.00 -0.00 -0.68 0.00 2.81 0.00 0.00 57.97 60.10 2dar h PHE 83 Cb 0.45 0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.32 2dar h PHE 83 CO -0.20 -0.44 2.92 0.00 -1.61 0.00 0.00 178.31 178.98 2dar n ALA 84 N -2.54 4.98 -3.62 2.45 0.00 -0.90 -4.76 120.51 116.12 2dar n ALA 84 Ca -0.09 -3.62 -0.03 0.00 0.00 0.00 0.00 53.44 49.71 2dar n ALA 84 Cb 0.30 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 16.15 2dar n ALA 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dar s SER 85 N 3.68 -0.58 0.00 0.00 1.04 -1.22 -4.45 113.70 112.17 2dar s SER 85 Ca 0.51 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.85 2dar s SER 85 Cb 0.14 1.30 0.00 0.00 0.10 0.00 0.00 66.02 67.56 2dar s SER 85 CO -0.02 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.66 2dar n GLY 86 N 3.94 3.34 0.00 7.32 0.00 -1.26 -4.98 105.19 113.55 2dar n GLY 86 Ca -0.18 -0.65 0.07 0.00 0.00 0.00 0.00 46.02 45.27 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 0.32 -0.23 1.61 -0.04 -1.26 -3.97 135.00 131.43 2dar n PRO 87 Ca 0.00 0.09 0.10 0.00 -0.04 0.00 0.00 63.50 63.65 2dar n PRO 87 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 2dar n PRO 87 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dar n SER 88 N -1.17 -0.07 -4.01 3.54 2.88 -1.26 -4.49 113.62 109.04 2dar n SER 88 Ca 0.09 1.15 -0.08 0.00 -1.33 0.00 0.00 58.87 58.69 2dar n SER 88 Cb 0.09 -0.42 -0.09 0.00 -0.75 0.00 0.00 64.21 63.05 2dar n SER 88 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dar s SER 89 N -5.00 0.27 0.00 -3.46 0.15 -1.25 -5.28 113.70 99.13 2dar s SER 89 Ca -0.09 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.65 2dar s SER 89 Cb 0.20 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2dar s SER 89 CO 0.53 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.87