#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 1.74 -0.13 1.61 0.01 -1.26 -5.13 113.70 110.54 2dar s SER 2 Ca 0.00 -0.29 -0.19 0.00 1.31 0.00 0.00 55.95 56.78 2dar s SER 2 Cb 0.00 -0.81 0.05 0.00 0.21 0.00 0.00 66.02 65.47 2dar s SER 2 CO 0.00 0.03 0.48 -0.55 0.41 0.00 0.00 173.24 173.61 2dar s SER 3 N 0.67 -0.47 0.48 2.44 0.15 -1.26 -5.14 113.70 110.58 2dar s SER 3 Ca -0.14 0.76 -0.19 0.00 0.70 0.00 0.00 55.95 57.07 2dar s SER 3 Cb -0.16 0.79 -0.13 0.00 -1.71 0.00 0.00 66.02 64.81 2dar s SER 3 CO 0.04 -0.29 0.19 0.61 1.20 0.00 0.00 173.24 174.99 2dar n GLY 4 N 2.21 -2.40 3.60 9.45 0.00 -1.26 -4.99 105.19 111.80 2dar n GLY 4 Ca -0.16 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.03 3.81 -0.47 1.61 1.04 -1.26 -5.11 113.70 112.28 2dar s SER 5 Ca 0.61 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 2dar s SER 5 Cb -0.53 -0.38 0.12 0.00 0.10 0.00 0.00 66.02 65.33 2dar s SER 5 CO 0.61 -0.40 0.28 -0.55 0.98 0.00 0.00 173.24 174.16 2dar s SER 6 N -3.68 5.27 -0.16 7.02 0.15 -1.26 -4.89 113.70 116.15 2dar s SER 6 Ca 0.34 -2.25 -0.14 0.00 0.70 0.00 0.00 55.95 54.60 2dar s SER 6 Cb 0.08 -1.84 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 2dar s SER 6 CO 0.18 -0.50 0.24 0.61 1.20 0.00 0.00 173.24 174.96 2dar n GLY 7 N 4.30 0.07 2.83 9.45 0.00 -1.26 -4.97 105.19 115.62 2dar n GLY 7 Ca 0.00 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.95 1.00 -0.06 1.61 1.01 -1.26 -5.14 116.67 112.89 2dar s ASP 8 Ca 0.14 -0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.33 2dar s ASP 8 Cb -0.01 -0.38 0.02 0.00 1.01 0.00 0.00 42.92 43.55 2dar s ASP 8 CO 0.32 -0.11 -0.07 -1.10 0.21 0.00 0.00 175.17 174.41 2dar s GLN 9 N 1.27 1.16 0.45 8.23 -1.52 -1.26 -5.15 119.66 122.83 2dar s GLN 9 Ca -0.06 -0.21 0.05 0.00 -1.95 0.00 0.00 55.36 53.19 2dar s GLN 9 Cb -0.13 -1.07 -0.06 0.00 -0.22 0.00 0.00 33.01 31.53 2dar s GLN 9 CO -0.02 -0.06 0.01 0.16 -0.25 0.00 0.00 175.29 175.13 2dar s ASP 10 N 0.89 3.96 0.19 5.90 -4.77 -1.26 -5.17 116.67 116.42 2dar s ASP 10 Ca -0.11 -1.48 0.04 0.00 -3.30 0.00 0.00 52.55 47.71 2dar s ASP 10 Cb -0.15 -0.06 -0.02 0.00 -1.09 0.00 0.00 42.92 41.61 2dar s ASP 10 CO 0.01 -0.60 0.16 1.07 0.70 0.00 0.00 175.17 176.51 2dar n THR 11 N -1.08 0.00 -0.34 2.11 5.66 -1.26 -5.04 114.28 114.33 2dar n THR 11 Ca -0.10 -1.39 0.08 0.00 -3.05 0.00 0.00 64.05 59.59 2dar n THR 11 Cb 0.67 0.70 0.27 0.00 -1.55 0.00 0.00 70.33 70.42 2dar n THR 11 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2dar h LEU 12 N 0.00 0.87 -5.78 1.09 -0.00 -2.02 -3.43 115.31 106.04 2dar h LEU 12 Ca -0.13 0.05 -0.56 0.00 -0.00 0.00 0.00 57.88 57.23 2dar h LEU 12 Cb 0.69 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 2dar h LEU 12 CO 0.20 0.46 0.72 0.52 -0.00 0.00 0.00 178.44 180.33 2dar n VAL 13 N -4.61 0.00 -4.34 1.22 0.31 -1.26 -4.81 118.33 104.85 2dar n VAL 13 Ca 0.19 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.34 2dar n VAL 13 Cb 0.38 -0.34 -0.10 0.00 -0.91 0.00 0.00 33.84 32.86 2dar n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dar s GLN 14 N 3.22 1.32 0.04 5.55 -2.07 0.27 -4.80 119.66 123.19 2dar s GLN 14 Ca 0.78 -1.61 0.07 0.00 -1.82 0.00 0.00 55.36 52.78 2dar s GLN 14 Cb -1.03 -0.98 -0.02 0.00 -1.09 0.00 0.00 33.01 29.89 2dar s GLN 14 CO 0.50 0.11 -0.20 1.03 -1.32 0.00 0.00 175.29 175.41 2dar s ARG 15 N -3.70 1.34 0.05 9.60 0.52 -1.26 -0.78 118.95 124.71 2dar s ARG 15 Ca 0.23 -0.93 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 2dar s ARG 15 Cb 0.01 -1.45 -0.06 0.00 0.52 0.00 0.00 34.95 33.98 2dar s ARG 15 CO 0.07 0.37 0.76 0.00 0.02 0.00 0.00 175.30 176.51 2dar s ALA 16 N -0.81 3.38 -0.10 2.13 0.00 -1.26 -4.95 121.76 120.15 2dar s ALA 16 Ca 0.07 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 2dar s ALA 16 Cb -0.09 -2.98 -0.05 0.00 0.00 0.00 0.00 23.12 20.01 2dar s ALA 16 CO 0.02 0.08 1.62 -2.00 0.00 0.00 0.00 175.76 175.48 2dar s GLU 17 N -0.12 4.11 -0.53 0.00 2.56 -0.99 -4.76 118.70 118.97 2dar s GLU 17 Ca 0.38 2.05 -0.28 0.00 0.00 0.00 0.00 54.97 57.12 2dar s GLU 17 Cb -0.20 -3.98 0.00 0.00 2.00 0.00 0.00 34.13 31.95 2dar s GLU 17 CO 0.23 -0.93 1.54 -1.01 -0.56 0.00 0.00 175.26 174.53 2dar s HIS 18 N 4.24 2.12 -0.10 5.30 3.76 -1.26 -2.82 115.29 126.53 2dar s HIS 18 Ca 0.72 0.55 -0.15 0.00 -0.15 0.00 0.00 55.06 56.03 2dar s HIS 18 Cb -0.31 -4.30 -0.05 0.00 1.11 0.00 0.00 32.58 29.03 2dar s HIS 18 CO 0.28 -2.17 0.37 0.42 -0.85 0.00 0.00 174.74 172.79 2dar s ILE 19 N 6.66 5.20 0.92 0.60 -1.09 -0.61 -5.00 121.20 127.88 2dar s ILE 19 Ca 0.59 0.73 -0.12 0.00 -2.23 0.00 0.00 60.65 59.62 2dar s ILE 19 Cb -0.13 -3.69 0.14 0.00 -1.58 0.00 0.00 42.46 37.20 2dar s ILE 19 CO 0.26 0.44 1.09 -2.16 -1.23 0.00 0.00 174.94 173.34 2dar s PRO 20 N -0.03 1.06 0.37 2.79 0.04 -1.26 -1.97 135.00 136.01 2dar s PRO 20 Ca 0.21 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 2dar s PRO 20 Cb -0.15 -1.79 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 2dar s PRO 20 CO 0.08 -2.35 0.88 0.00 0.04 0.00 0.00 177.00 175.65 2dar s ALA 21 N -2.95 3.16 0.00 8.56 0.00 -1.26 -4.13 121.76 125.14 2dar s ALA 21 Ca 0.64 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2dar s ALA 21 Cb -0.18 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.90 2dar s ALA 21 CO 0.57 0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.94 2dar n GLY 22 N -0.29 0.75 1.33 0.00 0.00 -1.26 -4.95 105.19 100.78 2dar n GLY 22 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.81 0.00 0.00 1.61 4.76 -1.26 -5.01 118.16 117.45 2dar n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2dar n LYS 23 Cb 0.41 -0.23 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 2dar n LYS 23 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2dar n ARG 24 N -3.17 0.00 -3.84 1.97 1.74 -1.26 -5.05 116.66 107.06 2dar n ARG 24 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 2dar n ARG 24 Cb 0.00 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 2dar n ARG 24 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dar n THR 25 N -2.81 -3.76 -1.17 0.55 -2.24 -1.26 -4.95 114.28 98.63 2dar n THR 25 Ca 0.00 -0.53 -0.29 0.00 -2.27 0.00 0.00 64.05 60.96 2dar n THR 25 Cb 0.49 -3.18 0.17 0.00 -2.10 0.00 0.00 70.33 65.71 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 -6.30 0.63 -0.06 -0.78 0.04 -1.26 -3.93 135.00 123.34 2dar s PRO 26 Ca 0.03 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 61.41 2dar s PRO 26 Cb -0.01 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 2dar s PRO 26 CO 0.86 -2.62 0.80 1.41 0.04 0.00 0.00 177.00 177.49 2dar s MET 27 N -4.95 4.46 1.07 4.56 1.75 -1.26 -1.37 119.30 123.55 2dar s MET 27 Ca 0.65 1.06 -0.20 0.00 -1.25 0.00 0.00 55.69 55.94 2dar s MET 27 Cb -0.18 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.03 2dar s MET 27 CO 0.57 -0.01 -0.36 0.00 -0.65 0.00 0.00 175.02 174.57 2dar n ALA 29 N -4.01 1.51 -0.03 0.00 0.00 -1.16 -3.48 120.51 113.35 2dar n ALA 29 Ca 0.01 -1.18 -0.01 0.00 0.00 0.00 0.00 53.44 52.26 2dar n ALA 29 Cb 0.64 -0.12 -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 1.25 0.00 0.00 0.00 177.50 178.75 2dar h HIS 30 N 0.00 0.00 0.00 0.00 -0.00 -1.93 -3.39 115.15 109.84 2dar h HIS 30 Ca -0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.74 2dar h HIS 30 Cb 2.05 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 29.44 2dar h HIS 30 CO 0.01 0.00 -0.51 0.00 -0.00 0.00 0.00 177.93 177.43 2dar n ASN 32 N -3.38 -3.27 -3.93 0.00 4.13 -1.23 -4.98 115.26 102.61 2dar n ASN 32 Ca 0.01 -0.48 -0.16 0.00 1.68 0.00 0.00 54.58 55.63 2dar n ASN 32 Cb 0.66 -3.89 -0.15 0.00 -1.54 0.00 0.00 39.78 34.86 2dar n ASN 32 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2dar s GLN 33 N -4.63 0.45 0.19 3.52 -1.52 -1.26 -4.72 119.66 111.69 2dar s GLN 33 Ca 0.12 -0.13 -0.32 0.00 -1.95 0.00 0.00 55.36 53.09 2dar s GLN 33 Cb -0.02 -0.47 -0.16 0.00 -0.22 0.00 0.00 33.01 32.15 2dar s GLN 33 CO 0.53 0.05 1.01 1.55 -0.25 0.00 0.00 175.29 178.18 2dar n VAL 34 N 3.28 1.25 -3.42 1.09 3.14 -1.26 -1.55 118.33 120.85 2dar n VAL 34 Ca -0.17 -0.31 -0.44 0.00 -2.96 0.00 0.00 64.34 60.46 2dar n VAL 34 Cb 0.56 -0.66 -0.05 0.00 -1.06 0.00 0.00 33.84 32.63 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 -0.50 4.99 0.05 1.55 1.01 -0.47 -4.85 121.20 122.97 2dar s ILE 35 Ca 0.70 -2.19 -0.22 0.00 0.00 0.00 0.00 60.65 58.94 2dar s ILE 35 Cb -0.87 -4.16 -0.10 0.00 0.01 0.00 0.00 42.46 37.34 2dar s ILE 35 CO 0.55 -0.92 1.34 0.03 0.00 0.00 0.00 174.94 175.94 2dar h ARG 36 N 8.05 -0.57 0.00 2.79 3.08 -1.89 -3.39 114.38 122.46 2dar h ARG 36 Ca -0.07 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dar h ARG 36 Cb 1.05 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2dar h ARG 36 CO 0.83 -0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.76 2dar n GLY 37 N -1.34 -2.59 3.73 0.04 0.00 -1.26 -4.03 105.19 99.75 2dar n GLY 37 Ca -0.07 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.47 4.39 0.50 1.61 0.04 -1.26 -4.40 135.00 135.40 2dar s PRO 38 Ca 0.00 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.14 2dar s PRO 38 Cb 0.00 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.34 2dar s PRO 38 CO 0.00 -0.27 0.32 -0.59 0.04 0.00 0.00 177.00 176.50 2dar s PHE 39 N 0.24 2.01 -0.13 0.56 -0.71 -0.83 -4.46 117.98 114.66 2dar s PHE 39 Ca 0.57 -0.75 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 2dar s PHE 39 Cb -0.36 -1.94 0.01 0.00 -1.21 0.00 0.00 43.02 39.52 2dar s PHE 39 CO 0.37 -0.23 -0.21 -0.51 -1.34 0.00 0.00 175.22 173.30 2dar s LEU 40 N -4.15 2.04 -0.33 -1.99 1.43 -0.34 -1.58 118.68 113.76 2dar s LEU 40 Ca 0.35 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2dar s LEU 40 Cb -0.01 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 2dar s LEU 40 CO 0.21 0.07 0.20 0.54 0.23 0.00 0.00 176.35 177.60 2dar s VAL 41 N 0.85 4.91 -0.04 -1.59 0.11 -1.13 0.03 120.40 123.54 2dar s VAL 41 Ca -0.07 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.37 2dar s VAL 41 Cb -0.15 -3.54 0.05 0.00 -1.53 0.00 0.00 36.38 31.20 2dar s VAL 41 CO -0.02 -0.01 0.49 0.00 -3.33 0.00 0.00 175.10 172.23 2dar s ALA 42 N 1.66 -1.25 -1.46 1.54 0.00 0.89 -2.34 121.76 120.81 2dar s ALA 42 Ca 0.05 0.82 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 2dar s ALA 42 Cb -0.17 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.01 2dar s ALA 42 CO 0.08 -0.31 1.04 1.28 0.00 0.00 0.00 175.76 177.86 2dar n LEU 43 N 1.16 -2.91 -3.72 0.00 7.99 -1.26 -1.70 117.00 116.56 2dar n LEU 43 Ca -0.20 -0.69 -0.26 0.00 -0.01 0.00 0.00 56.01 54.85 2dar n LEU 43 Cb 0.56 -2.74 0.05 0.00 -0.11 0.00 0.00 43.42 41.19 2dar n LEU 43 CO 0.22 0.53 0.15 0.61 -1.51 0.00 0.00 177.39 177.40 2dar n GLY 44 N -1.79 -0.49 3.53 -0.72 0.00 -1.26 -4.96 105.19 99.50 2dar n GLY 44 Ca 0.01 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -6.33 0.73 0.19 1.61 1.02 -0.69 -5.17 119.74 111.09 2dar s LYS 45 Ca 0.52 -0.19 0.02 0.00 0.02 0.00 0.00 55.97 56.34 2dar s LYS 45 Cb -0.24 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 2dar s LYS 45 CO 0.78 -0.30 0.33 -1.54 -0.92 0.00 0.00 175.35 173.70 2dar s SER 46 N -2.16 6.35 0.12 2.83 1.04 -1.26 -0.08 113.70 120.54 2dar s SER 46 Ca 0.04 0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 2dar s SER 46 Cb -0.01 -1.93 0.01 0.00 0.10 0.00 0.00 66.02 64.19 2dar s SER 46 CO -0.06 -0.01 0.29 0.26 0.98 0.00 0.00 173.24 174.70 2dar s TRP 47 N -1.84 0.11 0.16 5.02 0.52 0.10 -2.98 118.94 120.04 2dar s TRP 47 Ca 0.36 -0.49 -0.29 0.00 0.02 0.00 0.00 56.10 55.70 2dar s TRP 47 Cb -0.11 0.05 -0.07 0.00 -1.15 0.00 0.00 33.47 32.19 2dar s TRP 47 CO 0.29 -0.65 0.90 -1.01 0.02 0.00 0.00 176.95 176.49 2dar s HIS 48 N -3.88 3.88 -1.19 -1.98 3.76 -1.26 -1.20 115.29 113.43 2dar s HIS 48 Ca 0.08 1.77 0.14 0.00 -0.15 0.00 0.00 55.06 56.91 2dar s HIS 48 Cb 0.03 -2.95 0.67 0.00 1.11 0.00 0.00 32.58 31.44 2dar s HIS 48 CO -0.08 0.36 1.43 -0.35 -0.85 0.00 0.00 174.74 175.26 2dar n PRO 49 N 2.10 0.09 -0.04 8.40 -0.04 -1.26 0.09 135.00 144.34 2dar n PRO 49 Ca -0.01 0.21 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2dar n PRO 49 Cb 0.48 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2dar n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dar n GLU 50 N -1.41 1.71 -0.03 0.54 0.28 -1.26 -4.65 120.64 115.82 2dar n GLU 50 Ca 0.05 -0.03 -0.19 0.00 -0.16 0.00 0.00 57.16 56.83 2dar n GLU 50 Cb 0.14 -1.28 -0.14 0.00 1.43 0.00 0.00 31.44 31.60 2dar n GLU 50 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2dar n GLU 51 N -2.27 0.72 -1.53 3.44 2.13 -1.08 -4.82 120.64 117.23 2dar n GLU 51 Ca -0.14 0.23 -0.27 0.00 0.66 0.00 0.00 57.16 57.65 2dar n GLU 51 Cb 0.71 -1.67 -0.11 0.00 0.27 0.00 0.00 31.44 30.63 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 -3.37 0.85 -4.68 4.31 7.35 0.11 -4.86 117.46 117.17 2dar n PHE 52 Ca -0.33 0.11 -0.30 0.00 -0.76 0.00 0.00 57.45 56.16 2dar n PHE 52 Cb 1.04 -2.10 -0.08 0.00 0.35 0.00 0.00 39.48 38.69 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 8.41 3.74 0.96 -2.13 2.20 -1.26 -2.85 114.94 124.00 2dar s ASN 53 Ca 1.12 -1.63 -0.15 0.00 -0.94 0.00 0.00 52.86 51.26 2dar s ASN 53 Cb -0.54 0.43 0.18 0.00 -2.00 0.00 0.00 41.25 39.31 2dar s ASN 53 CO 0.33 -0.83 1.22 0.00 -2.94 0.00 0.00 177.10 174.88 2dar n ALA 55 N -3.82 2.16 -0.06 0.00 0.00 -1.10 -3.42 120.51 114.27 2dar n ALA 55 Ca 0.12 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.67 2dar n ALA 55 Cb 0.60 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 -2.60 0.00 -0.21 0.00 -0.00 -1.26 -4.65 115.22 106.50 2dar n HIS 56 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.68 2dar n HIS 56 Cb 0.82 -0.44 0.30 0.00 -0.00 0.00 0.00 29.99 30.67 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 1.31 -0.99 -4.05 0.00 -0.00 -1.22 -4.71 118.16 108.50 2dar n LYS 58 Ca 0.23 -0.02 -0.22 0.00 -0.00 0.00 0.00 58.31 58.30 2dar n LYS 58 Cb 0.65 -0.33 -0.03 0.00 -0.00 0.00 0.00 35.03 35.32 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 -3.26 5.89 -0.16 -5.58 4.22 -1.26 -4.33 114.94 110.46 2dar s ASN 59 Ca 0.00 -0.10 -0.35 0.00 -2.14 0.00 0.00 52.86 50.27 2dar s ASN 59 Cb -0.00 -1.61 -0.12 0.00 1.28 0.00 0.00 41.25 40.79 2dar s ASN 59 CO 0.11 -0.05 1.92 1.07 -2.04 0.00 0.00 177.10 178.11 2dar n THR 60 N -1.25 0.48 -1.74 0.54 5.66 -1.26 -1.66 114.28 115.05 2dar n THR 60 Ca -0.08 -0.14 -0.30 0.00 -3.05 0.00 0.00 64.05 60.48 2dar n THR 60 Cb 0.57 -1.78 0.05 0.00 -1.55 0.00 0.00 70.33 67.62 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 6.78 3.13 -0.09 1.09 2.81 -1.13 -4.58 117.12 125.13 2dar n MET 61 Ca 0.26 -3.76 -0.12 0.00 -1.81 0.00 0.00 57.70 52.28 2dar n MET 61 Cb 0.27 -2.28 -0.05 0.00 -0.71 0.00 0.00 33.22 30.44 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 -0.78 0.63 0.01 3.04 0.00 -1.26 -4.65 120.51 117.49 2dar n ALA 62 Ca 0.53 -0.51 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 2dar n ALA 62 Cb 0.76 -0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.00 0.40 -3.71 0.00 0.05 -1.94 -3.41 116.97 107.35 2dar h TYR 63 Ca -0.15 -0.29 -0.44 0.00 0.05 0.00 0.00 58.73 57.90 2dar h TYR 63 Cb 0.86 -0.02 0.17 0.00 1.01 0.00 0.00 36.73 38.75 2dar h TYR 63 CO -0.13 1.41 0.16 0.96 -1.05 0.00 0.00 178.16 179.51 2dar s ILE 64 N -2.42 1.87 0.49 -2.88 -4.36 -1.26 -4.99 121.20 107.65 2dar s ILE 64 Ca -0.18 0.00 -0.01 0.00 -0.26 0.00 0.00 60.65 60.20 2dar s ILE 64 Cb 0.02 -2.47 0.10 0.00 1.25 0.00 0.00 42.46 41.37 2dar s ILE 64 CO 0.77 0.00 0.68 0.61 0.24 0.00 0.00 174.94 177.23 2dar n GLY 65 N -0.93 0.50 3.52 6.27 0.00 -1.26 -4.77 105.19 108.51 2dar n GLY 65 Ca 0.07 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.04 -0.42 -0.05 1.61 -0.12 0.04 -3.44 117.98 113.56 2dar s PHE 66 Ca 0.44 0.19 0.00 0.00 -0.05 0.00 0.00 56.93 57.51 2dar s PHE 66 Cb -0.02 0.58 0.02 0.00 -0.63 0.00 0.00 43.02 42.97 2dar s PHE 66 CO 0.29 -0.82 -0.03 0.08 -0.05 0.00 0.00 175.22 174.70 2dar s VAL 67 N -3.58 0.46 -0.06 -2.49 1.01 0.14 -0.56 120.40 115.33 2dar s VAL 67 Ca 0.04 -0.03 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 2dar s VAL 67 Cb -0.02 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2dar s VAL 67 CO -0.08 0.23 0.73 -0.70 0.00 0.00 0.00 175.10 175.28 2dar s GLU 68 N 1.25 4.45 -0.25 2.72 2.12 -1.25 -0.64 118.70 127.11 2dar s GLU 68 Ca -0.06 0.94 -0.02 0.00 0.36 0.00 0.00 54.97 56.19 2dar s GLU 68 Cb -0.14 -3.45 0.13 0.00 0.26 0.00 0.00 34.13 30.93 2dar s GLU 68 CO -0.02 0.05 0.33 -2.00 -0.54 0.00 0.00 175.26 173.08 2dar s GLU 69 N 0.84 0.32 -1.46 4.30 2.12 0.59 -4.89 118.70 120.52 2dar s GLU 69 Ca 0.39 0.27 -0.11 0.00 0.36 0.00 0.00 54.97 55.88 2dar s GLU 69 Cb -0.18 -0.64 0.05 0.00 0.26 0.00 0.00 34.13 33.63 2dar s GLU 69 CO 0.19 -0.78 1.04 1.63 -0.54 0.00 0.00 175.26 176.80 2dar n LYS 70 N 5.34 -6.49 -2.39 4.30 4.76 -1.26 -2.52 118.16 119.90 2dar n LYS 70 Ca -0.03 0.71 -0.03 0.00 -2.87 0.00 0.00 58.31 56.09 2dar n LYS 70 Cb 0.49 -5.67 0.01 0.00 -1.84 0.00 0.00 35.03 28.03 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 -1.81 0.53 3.34 0.72 0.00 -1.26 -5.07 105.19 101.65 2dar n GLY 71 Ca 0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.04 -1.27 -0.32 4.61 0.00 -1.05 -5.14 121.76 115.56 2dar s ALA 72 Ca 0.03 1.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 2dar s ALA 72 Cb -0.01 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2dar s ALA 72 CO 0.09 -0.50 0.22 -0.51 0.00 0.00 0.00 175.76 175.07 2dar s LEU 73 N 1.95 4.34 -0.16 0.00 1.43 -1.25 -0.30 118.68 124.70 2dar s LEU 73 Ca -0.07 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2dar s LEU 73 Cb -0.09 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2dar s LEU 73 CO -0.14 -0.18 -0.12 -0.31 0.23 0.00 0.00 176.35 175.83 2dar s TYR 74 N 1.72 2.83 0.78 0.29 2.02 0.19 -2.72 117.35 122.46 2dar s TYR 74 Ca 0.06 -0.91 -0.14 0.00 -0.37 0.00 0.00 57.07 55.71 2dar s TYR 74 Cb -0.17 -1.92 0.06 0.00 -0.40 0.00 0.00 41.96 39.53 2dar s TYR 74 CO 0.10 -0.41 1.19 0.00 -1.57 0.00 0.00 175.55 174.86 2dar h GLU 76 N -0.62 0.21 0.33 0.00 4.11 -1.89 0.17 114.58 116.88 2dar h GLU 76 Ca -0.47 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 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 0.47 0.14 -0.16 -0.07 0.07 0.00 0.00 179.01 179.46 2dar h LEU 77 N 0.22 -0.37 -0.87 3.06 3.38 -1.91 0.32 115.31 119.14 2dar h LEU 77 Ca 0.72 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.62 2dar h LEU 77 Cb 2.10 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.90 2dar h LEU 77 CO -0.38 -0.18 0.46 0.00 0.09 0.00 0.00 178.44 178.44 2dar h TYR 79 N 1.21 -0.39 0.00 0.00 5.03 -0.89 -1.58 116.97 120.35 2dar h TYR 79 Ca 0.30 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.60 2dar h TYR 79 Cb 0.05 0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.46 2dar h TYR 79 CO 0.01 -0.24 0.48 1.49 -1.32 0.00 0.00 178.16 178.57 2dar h GLU 80 N -0.48 0.00 0.02 1.82 4.57 -0.96 0.67 114.58 120.23 2dar h GLU 80 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2dar h GLU 80 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2dar h GLU 80 CO 0.07 0.00 -0.01 0.87 -1.18 0.00 0.00 179.01 178.76 2dar h LYS 81 N 0.00 -0.03 0.00 1.92 1.57 -1.05 -3.34 116.57 115.63 2dar h LYS 81 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2dar h LYS 81 Cb 0.96 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 2dar h LYS 81 CO 0.00 -0.02 -1.33 1.19 -0.57 0.00 0.00 179.45 178.72 2dar n PHE 82 N -4.69 0.09 -0.13 -1.35 3.72 -0.49 -4.08 117.46 110.53 2dar n PHE 82 Ca -0.00 0.04 -0.09 0.00 -0.05 0.00 0.00 57.45 57.35 2dar n PHE 82 Cb 0.01 -0.65 -0.07 0.00 -0.94 0.00 0.00 39.48 37.84 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 -1.00 -1.16 0.00 1.38 -1.00 0.12 -3.08 116.94 112.20 2dar h PHE 83 Ca -0.17 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.67 2dar h PHE 83 Cb 1.11 0.55 0.00 0.00 3.61 0.00 0.00 35.95 41.22 2dar h PHE 83 CO -0.33 -0.31 0.00 0.00 -1.61 0.00 0.00 178.31 176.06 2dar n ALA 84 N -3.00 -0.16 -1.27 2.45 0.00 -0.04 -4.65 120.51 113.85 2dar n ALA 84 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.96 2dar n ALA 84 Cb 0.22 0.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.81 2dar n ALA 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dar n SER 85 N -1.78 -0.63 -4.81 0.00 3.41 -1.16 -4.88 113.62 103.77 2dar n SER 85 Ca 0.00 1.00 -0.33 0.00 -0.26 0.00 0.00 58.87 59.28 2dar n SER 85 Cb 0.00 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.09 2dar n SER 85 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dar s GLY 86 N -0.50 2.36 0.73 5.00 0.00 -1.26 -4.87 107.32 108.78 2dar s GLY 86 Ca 0.66 0.45 -0.12 0.00 0.00 0.00 0.00 44.72 45.72 2dar s GLY 86 CO 0.50 0.75 1.10 2.56 0.00 0.00 0.00 173.10 178.01 2dar s PRO 87 N -3.43 2.44 -1.71 2.90 0.04 -1.26 -3.53 135.00 130.45 2dar s PRO 87 Ca 0.64 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 2dar s PRO 87 Cb -0.13 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.65 2dar s PRO 87 CO 0.21 -1.51 0.38 -1.13 0.04 0.00 0.00 177.00 174.99 2dar n SER 88 N -3.13 -0.83 -0.09 6.66 3.41 -1.26 -4.79 113.62 113.59 2dar n SER 88 Ca 0.10 -1.22 -0.06 0.00 -0.26 0.00 0.00 58.87 57.43 2dar n SER 88 Cb 0.53 -1.54 -0.00 0.00 -0.26 0.00 0.00 64.21 62.94 2dar n SER 88 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dar h SER 89 N -1.13 -0.26 -0.02 4.04 0.87 -1.98 -3.57 113.55 111.49 2dar h SER 89 Ca -0.60 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2dar h SER 89 Cb 1.34 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 2dar h SER 89 CO 0.80 -0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.63