#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dle n SER 2 N 0.00 2.00 -4.70 1.61 7.64 -1.26 -4.89 113.62 114.01 2dle n SER 2 Ca 0.00 1.10 -0.41 0.00 1.01 0.00 0.00 58.87 60.57 2dle n SER 2 Cb 0.00 -1.12 -0.04 0.00 -1.01 0.00 0.00 64.21 62.04 2dle n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dle s SER 3 N 2.58 7.15 0.00 6.43 0.15 -1.26 -5.00 113.70 123.76 2dle s SER 3 Ca 0.95 1.40 0.00 0.00 0.70 0.00 0.00 55.95 59.00 2dle s SER 3 Cb -1.09 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 60.73 2dle s SER 3 CO 0.62 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2dle n GLY 4 N 3.08 -0.26 3.09 9.45 0.00 -1.26 -4.98 105.19 114.32 2dle n GLY 4 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2dle n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dle s SER 5 N -0.97 5.03 -0.29 1.61 0.15 -1.26 -5.06 113.70 112.91 2dle s SER 5 Ca 0.00 -1.98 0.02 0.00 0.70 0.00 0.00 55.95 54.68 2dle s SER 5 Cb 0.00 -1.74 0.07 0.00 -1.71 0.00 0.00 66.02 62.63 2dle s SER 5 CO 0.00 -0.45 -0.04 -0.94 1.20 0.00 0.00 173.24 173.01 2dle s SER 6 N 1.43 4.66 0.00 5.45 1.04 -1.26 -5.10 113.70 119.92 2dle s SER 6 Ca 0.07 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2dle s SER 6 Cb -0.21 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2dle s SER 6 CO -0.05 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.52 2dle n GLY 7 N 4.46 1.23 3.25 7.32 0.00 -1.26 -5.14 105.19 115.04 2dle n GLY 7 Ca -0.10 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 2dle n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dle s ALA 8 N -3.05 -0.66 -0.48 4.61 0.00 -1.26 -5.11 121.76 115.80 2dle s ALA 8 Ca 0.00 -0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 2dle s ALA 8 Cb 0.00 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 2dle s ALA 8 CO 0.00 -0.43 1.80 0.42 0.00 0.00 0.00 175.76 177.55 2dle s ILE 9 N -2.69 3.45 -0.09 0.00 1.01 -1.26 -4.88 121.20 116.73 2dle s ILE 9 Ca -0.04 0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.00 2dle s ILE 9 Cb -0.00 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.64 2dle s ILE 9 CO -0.04 -0.70 -0.10 -1.58 0.00 0.00 0.00 174.94 172.52 2dle s GLN 10 N 6.32 1.63 -0.21 2.79 0.74 -1.26 -1.72 119.66 127.95 2dle s GLN 10 Ca 0.72 -0.34 -0.22 0.00 0.05 0.00 0.00 55.36 55.57 2dle s GLN 10 Cb -0.16 -1.53 -0.02 0.00 1.10 0.00 0.00 33.01 32.40 2dle s GLN 10 CO 0.27 -0.14 0.69 0.08 -0.55 0.00 0.00 175.29 175.64 2dle s VAL 11 N 1.24 4.97 0.31 1.34 1.01 -1.22 -3.44 120.40 124.60 2dle s VAL 11 Ca -0.04 1.30 0.04 0.00 0.00 0.00 0.00 61.98 63.28 2dle s VAL 11 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2dle s VAL 11 CO -0.03 0.06 0.15 2.22 0.00 0.00 0.00 175.10 177.50 2dle n PHE 12 N 5.31 -0.11 -3.83 5.22 -1.74 -0.61 -4.51 117.46 117.18 2dle n PHE 12 Ca 0.01 -2.14 -0.29 0.00 -0.56 0.00 0.00 57.45 54.47 2dle n PHE 12 Cb 0.49 0.07 0.04 0.00 1.52 0.00 0.00 39.48 41.60 2dle n PHE 12 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 2dle n ASP 13 N -1.73 -5.21 -4.65 5.98 2.03 -1.26 -0.24 116.55 111.47 2dle n ASP 13 Ca -0.01 -0.72 -0.42 0.00 0.52 0.00 0.00 54.79 54.16 2dle n ASP 13 Cb 0.49 -4.14 -0.03 0.00 -0.72 0.00 0.00 41.12 36.72 2dle n ASP 13 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2dle s VAL 14 N -3.30 4.75 0.17 5.18 1.01 -1.26 -3.98 120.40 122.98 2dle s VAL 14 Ca 0.65 1.82 -0.13 0.00 0.00 0.00 0.00 61.98 64.32 2dle s VAL 14 Cb -0.32 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.85 2dle s VAL 14 CO 0.80 -0.13 0.40 -0.89 0.00 0.00 0.00 175.10 175.28 2dle s THR 15 N 3.00 0.05 -0.47 3.92 2.01 -0.53 -4.94 115.64 118.69 2dle s THR 15 Ca 0.40 -1.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 2dle s THR 15 Cb -0.15 -1.64 0.08 0.00 0.01 0.00 0.00 72.50 70.79 2dle s THR 15 CO 0.07 -0.24 0.38 0.00 -0.69 0.00 0.00 174.62 174.14 2dle s ALA 16 N -3.91 3.53 0.51 7.40 0.00 -1.26 -1.40 121.76 126.63 2dle s ALA 16 Ca 0.12 -2.14 0.38 0.00 0.00 0.00 0.00 51.96 50.32 2dle s ALA 16 Cb 0.01 -3.02 2.00 0.00 0.00 0.00 0.00 23.12 22.11 2dle s ALA 16 CO -0.03 -1.73 2.24 -0.39 0.00 0.00 0.00 175.76 175.85 2dle h VAL 17 N 5.81 0.16 -1.96 0.00 -1.51 -1.88 -3.42 116.25 113.44 2dle h VAL 17 Ca -0.28 -0.19 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 2dle h VAL 17 Cb 1.11 1.16 -0.21 0.00 -2.13 0.00 0.00 31.29 31.21 2dle h VAL 17 CO 0.87 0.02 0.11 0.21 -1.23 0.00 0.00 177.57 177.55 2dle s ASN 18 N -5.55 -0.81 -0.24 4.19 3.04 -1.24 -5.02 114.94 109.32 2dle s ASN 18 Ca -0.03 1.43 -0.01 0.00 0.04 0.00 0.00 52.86 54.28 2dle s ASN 18 Cb 0.12 1.40 0.07 0.00 -1.54 0.00 0.00 41.25 41.30 2dle s ASN 18 CO 0.48 -0.24 0.03 -0.63 -3.04 0.00 0.00 177.10 173.70 2dle s ILE 19 N 0.92 0.91 0.32 -5.21 1.01 -1.26 -0.70 121.20 117.19 2dle s ILE 19 Ca -0.04 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2dle s ILE 19 Cb -0.05 -1.43 0.05 0.00 0.01 0.00 0.00 42.46 41.04 2dle s ILE 19 CO -0.09 -0.31 0.42 -1.20 0.00 0.00 0.00 174.94 173.76 2dle n SER 20 N 4.89 1.29 -0.03 3.58 7.64 0.28 -4.75 113.62 126.51 2dle n SER 20 Ca -0.08 -1.89 -0.13 0.00 1.01 0.00 0.00 58.87 57.79 2dle n SER 20 Cb 0.45 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.33 2dle n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dle h ALA 21 N 0.34 -0.02 -0.45 -0.43 0.00 -1.94 -3.35 119.26 113.40 2dle h ALA 21 Ca -0.16 -0.35 -0.28 0.00 0.00 0.00 0.00 54.91 54.12 2dle h ALA 21 Cb 0.70 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.32 2dle h ALA 21 CO 0.23 -0.14 -0.17 0.25 0.00 0.00 0.00 179.25 179.42 2dle n THR 22 N -4.75 2.62 -3.61 0.00 -2.24 -1.26 -3.81 114.28 101.23 2dle n THR 22 Ca -0.09 -3.08 -0.05 0.00 -2.27 0.00 0.00 64.05 58.56 2dle n THR 22 Cb 0.35 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.01 2dle n THR 22 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dle s SER 23 N -2.73 -0.15 -0.28 3.42 1.04 -1.25 -1.78 113.70 111.96 2dle s SER 23 Ca 0.47 0.14 -0.14 0.00 0.48 0.00 0.00 55.95 56.90 2dle s SER 23 Cb 0.41 0.13 0.09 0.00 0.10 0.00 0.00 66.02 66.76 2dle s SER 23 CO -0.00 -0.16 0.67 -1.48 0.98 0.00 0.00 173.24 173.25 2dle s LEU 24 N -1.23 -0.97 -0.17 2.42 0.05 -1.16 0.10 118.68 117.71 2dle s LEU 24 Ca 0.06 1.51 -0.17 0.00 0.05 0.00 0.00 54.13 55.58 2dle s LEU 24 Cb -0.01 2.33 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 2dle s LEU 24 CO -0.04 -0.23 0.44 -0.89 -0.55 0.00 0.00 176.35 175.08 2dle s THR 25 N 1.95 5.18 -0.02 5.48 2.01 0.13 -1.10 115.64 129.27 2dle s THR 25 Ca -0.09 0.83 0.01 0.00 0.31 0.00 0.00 61.69 62.75 2dle s THR 25 Cb -0.07 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2dle s THR 25 CO -0.19 0.27 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.77 2dle s LEU 26 N 1.11 3.44 0.03 4.42 2.96 -0.83 -2.85 118.68 126.96 2dle s LEU 26 Ca 0.22 -0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.12 2dle s LEU 26 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2dle s LEU 26 CO 0.09 0.30 -0.03 0.27 -1.32 0.00 0.00 176.35 175.66 2dle s ILE 27 N -1.02 0.16 0.13 6.68 -4.36 -0.49 -1.88 121.20 120.42 2dle s ILE 27 Ca 0.18 -1.30 -0.23 0.00 -0.26 0.00 0.00 60.65 59.04 2dle s ILE 27 Cb -0.11 -0.80 0.07 0.00 1.25 0.00 0.00 42.46 42.86 2dle s ILE 27 CO 0.08 -0.71 0.58 -1.66 0.24 0.00 0.00 174.94 173.47 2dle s TRP 28 N -2.50 -0.51 -0.20 1.37 -2.14 -1.00 -1.45 118.94 112.52 2dle s TRP 28 Ca -0.06 0.38 -0.03 0.00 2.66 0.00 0.00 56.10 59.05 2dle s TRP 28 Cb -0.02 0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 30.84 2dle s TRP 28 CO -0.05 -0.80 -0.07 0.21 -2.66 0.00 0.00 176.95 173.59 2dle s LYS 29 N -3.40 3.39 0.08 3.25 2.20 0.67 -4.84 119.74 121.09 2dle s LYS 29 Ca -0.00 -0.64 -0.07 0.00 -0.36 0.00 0.00 55.97 54.90 2dle s LYS 29 Cb -0.01 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 2dle s LYS 29 CO -0.10 -0.08 0.36 0.08 -0.36 0.00 0.00 175.35 175.25 2dle s VAL 30 N 1.15 5.17 -0.07 4.02 1.01 -1.26 -1.57 120.40 128.85 2dle s VAL 30 Ca 0.02 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 2dle s VAL 30 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2dle s VAL 30 CO -0.01 0.22 2.41 -1.54 0.00 0.00 0.00 175.10 176.17 2dle n SER 31 N 0.66 5.55 -3.19 3.32 3.41 -1.22 -4.61 113.62 117.54 2dle n SER 31 Ca -0.07 -2.57 0.05 0.00 -0.26 0.00 0.00 58.87 56.02 2dle n SER 31 Cb 0.52 -1.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.26 2dle n SER 31 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dle s ASP 32 N 1.64 -0.37 -0.04 4.04 -1.08 -1.26 -4.91 116.67 114.70 2dle s ASP 32 Ca 0.23 0.30 0.03 0.00 -0.52 0.00 0.00 52.55 52.59 2dle s ASP 32 Cb 0.13 1.34 -0.04 0.00 -1.46 0.00 0.00 42.92 42.88 2dle s ASP 32 CO -0.01 -0.07 0.00 0.59 0.52 0.00 0.00 175.17 176.20 2dle n ASN 33 N 5.26 3.97 -0.11 -0.34 4.13 -1.26 -4.32 115.26 122.59 2dle n ASN 33 Ca -0.08 -0.01 -0.11 0.00 1.68 0.00 0.00 54.58 56.07 2dle n ASN 33 Cb 0.54 0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 39.21 2dle n ASN 33 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2dle h GLU 34 N 0.00 0.62 -0.87 3.52 4.39 -1.99 -3.08 114.58 117.18 2dle h GLU 34 Ca -0.10 -0.23 -0.51 0.00 0.34 0.00 0.00 59.36 58.86 2dle h GLU 34 Cb 1.22 -0.04 -0.28 0.00 -0.10 0.00 0.00 28.75 29.55 2dle h GLU 34 CO 0.00 0.78 0.49 0.43 -1.16 0.00 0.00 179.01 179.55 2dle n SER 35 N -4.47 4.87 -2.22 1.42 7.64 -1.26 -4.62 113.62 114.99 2dle n SER 35 Ca -0.02 -3.71 -0.30 0.00 1.01 0.00 0.00 58.87 55.84 2dle n SER 35 Cb 0.31 -0.81 0.08 0.00 -1.01 0.00 0.00 64.21 62.78 2dle n SER 35 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dle n SER 36 N -1.04 7.10 0.00 6.43 3.41 -1.17 -4.62 113.62 123.74 2dle n SER 36 Ca 0.55 -3.61 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 2dle n SER 36 Cb 1.19 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2dle n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dle n SER 37 N -0.67 0.00 -1.17 4.04 7.64 -1.26 -4.02 113.62 118.17 2dle n SER 37 Ca 0.55 0.55 -0.04 0.00 1.01 0.00 0.00 58.87 60.95 2dle n SER 37 Cb 0.72 -0.50 0.05 0.00 -1.01 0.00 0.00 64.21 63.48 2dle n SER 37 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dle n ASN 38 N -2.00 2.92 -4.69 6.43 3.02 -1.26 -4.87 115.26 114.81 2dle n ASN 38 Ca 0.00 -2.33 -0.41 0.00 -0.03 0.00 0.00 54.58 51.81 2dle n ASN 38 Cb 0.00 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.56 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dle s TYR 39 N -0.89 3.50 0.37 3.10 1.51 -1.26 -4.09 117.35 119.59 2dle s TYR 39 Ca 0.13 1.32 0.02 0.00 -1.01 0.00 0.00 57.07 57.52 2dle s TYR 39 Cb 0.11 -2.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.00 2dle s TYR 39 CO 0.03 -0.12 0.13 0.25 -1.11 0.00 0.00 175.55 174.73 2dle n THR 40 N 4.36 0.00 -3.67 -0.71 -2.24 -0.94 -4.64 114.28 106.44 2dle n THR 40 Ca 0.03 -1.63 -0.08 0.00 -2.27 0.00 0.00 64.05 60.10 2dle n THR 40 Cb 0.50 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 2dle n THR 40 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2dle s TYR 41 N -2.13 -0.81 -0.44 4.78 2.02 0.38 -3.25 117.35 117.89 2dle s TYR 41 Ca 0.10 1.59 -0.07 0.00 -0.37 0.00 0.00 57.07 58.31 2dle s TYR 41 Cb -0.01 0.37 0.11 0.00 -0.40 0.00 0.00 41.96 42.03 2dle s TYR 41 CO 0.06 -0.46 0.28 0.15 -1.57 0.00 0.00 175.55 174.01 2dle s LYS 42 N 2.16 2.35 -0.38 -0.62 1.02 -1.03 -2.05 119.74 121.19 2dle s LYS 42 Ca -0.05 -1.73 -0.24 0.00 0.02 0.00 0.00 55.97 53.97 2dle s LYS 42 Cb -0.10 -3.78 0.01 0.00 -0.52 0.00 0.00 37.83 33.44 2dle s LYS 42 CO -0.14 -1.11 0.82 0.42 -0.92 0.00 0.00 175.35 174.41 2dle s ILE 43 N 1.30 4.68 -0.47 2.17 1.09 -1.00 -3.06 121.20 125.91 2dle s ILE 43 Ca 0.06 0.86 -0.16 0.00 -1.10 0.00 0.00 60.65 60.31 2dle s ILE 43 Cb -0.25 -4.26 0.06 0.00 -1.06 0.00 0.00 42.46 36.96 2dle s ILE 43 CO -0.01 -0.52 0.44 -2.28 -0.10 0.00 0.00 174.94 172.46 2dle s HIS 44 N 3.23 3.20 -0.22 3.97 2.46 -0.80 0.37 115.29 127.49 2dle s HIS 44 Ca 0.33 -0.78 -0.23 0.00 0.47 0.00 0.00 55.06 54.85 2dle s HIS 44 Cb -0.13 -3.17 -0.01 0.00 -0.13 0.00 0.00 32.58 29.14 2dle s HIS 44 CO 0.19 -0.82 0.74 0.08 -2.47 0.00 0.00 174.74 172.46 2dle s VAL 45 N 1.88 4.91 -0.33 0.89 1.01 0.18 -2.85 120.40 126.09 2dle s VAL 45 Ca 0.07 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2dle s VAL 45 Cb -0.22 -4.04 0.10 0.00 0.00 0.00 0.00 36.38 32.21 2dle s VAL 45 CO 0.08 0.00 0.05 0.00 0.00 0.00 0.00 175.10 175.23 2dle s ALA 46 N 2.47 2.62 0.00 5.51 0.00 0.05 -0.39 121.76 132.02 2dle s ALA 46 Ca 0.32 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2dle s ALA 46 Cb -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2dle s ALA 46 CO 0.09 -1.64 0.00 0.41 0.00 0.00 0.00 175.76 174.62 2dle n GLY 47 N 4.38 1.06 3.53 0.00 0.00 -0.70 -0.96 105.19 112.50 2dle n GLY 47 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 2dle n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dle s GLU 48 N 4.20 3.81 -0.89 1.61 -1.05 -1.26 -4.50 118.70 120.62 2dle s GLU 48 Ca 0.00 -0.41 -0.07 0.00 -0.15 0.00 0.00 54.97 54.34 2dle s GLU 48 Cb 0.00 -3.32 0.07 0.00 -0.44 0.00 0.00 34.13 30.44 2dle s GLU 48 CO 0.00 -0.01 0.26 0.25 0.95 0.00 0.00 175.26 176.71 2dle n THR 49 N 4.42 -0.38 -3.56 1.83 -2.24 -1.26 -4.84 114.28 108.26 2dle n THR 49 Ca -0.16 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2dle n THR 49 Cb 0.52 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.85 2dle n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dle s ASP 50 N -2.46 -0.22 0.16 3.42 2.15 -1.26 -5.19 116.67 113.27 2dle s ASP 50 Ca 0.28 0.01 -0.24 0.00 0.43 0.00 0.00 52.55 53.03 2dle s ASP 50 Cb -0.16 0.23 0.06 0.00 -0.30 0.00 0.00 42.92 42.75 2dle s ASP 50 CO 0.34 -0.37 0.72 -0.55 -0.17 0.00 0.00 175.17 175.15 2dle s SER 51 N -2.24 -0.41 0.10 -0.34 0.15 -1.26 -1.72 113.70 107.99 2dle s SER 51 Ca 0.08 -0.20 -0.09 0.00 0.70 0.00 0.00 55.95 56.43 2dle s SER 51 Cb -0.01 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2dle s SER 51 CO -0.06 -1.00 0.23 -0.94 1.20 0.00 0.00 173.24 172.67 2dle s SER 52 N -2.77 0.07 -0.04 5.45 1.04 0.48 -4.99 113.70 112.94 2dle s SER 52 Ca 0.06 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.89 2dle s SER 52 Cb -0.02 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 2dle s SER 52 CO -0.05 -0.76 -0.19 0.54 0.98 0.00 0.00 173.24 173.75 2dle s ASN 53 N -2.87 2.34 0.18 7.02 4.22 -1.26 0.50 114.94 125.07 2dle s ASN 53 Ca 0.06 -0.38 0.08 0.00 -2.14 0.00 0.00 52.86 50.48 2dle s ASN 53 Cb 0.04 -0.61 -0.04 0.00 1.28 0.00 0.00 41.25 41.92 2dle s ASN 53 CO -0.10 0.18 -0.03 -0.22 -2.04 0.00 0.00 177.10 174.89 2dle s LEU 54 N -0.05 3.20 -0.23 3.54 2.96 0.16 -4.96 118.68 123.30 2dle s LEU 54 Ca -0.03 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 2dle s LEU 54 Cb -0.12 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.80 2dle s LEU 54 CO 0.02 0.09 0.12 0.54 -1.32 0.00 0.00 176.35 175.80 2dle s ASN 55 N -2.91 2.85 0.25 3.68 4.22 -1.26 -2.38 114.94 119.38 2dle s ASN 55 Ca 0.27 -0.91 0.01 0.00 -2.14 0.00 0.00 52.86 50.08 2dle s ASN 55 Cb -0.09 -0.26 -0.05 0.00 1.28 0.00 0.00 41.25 42.13 2dle s ASN 55 CO 0.17 -0.39 0.10 0.68 -2.04 0.00 0.00 177.10 175.62 2dle s VAL 56 N 2.13 0.48 -0.44 3.54 -7.23 -0.87 -5.01 120.40 113.00 2dle s VAL 56 Ca 0.05 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2dle s VAL 56 Cb -0.16 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.09 2dle s VAL 56 CO -0.22 -0.02 0.39 -1.54 -0.31 0.00 0.00 175.10 173.40 2dle n SER 57 N -0.42 0.45 -4.94 4.85 3.41 -1.26 -0.47 113.62 115.23 2dle n SER 57 Ca 0.00 -0.73 -0.25 0.00 -0.26 0.00 0.00 58.87 57.64 2dle n SER 57 Cb 0.66 0.98 -0.02 0.00 -0.26 0.00 0.00 64.21 65.57 2dle n SER 57 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2dle s GLU 58 N -1.83 3.48 0.00 4.33 1.03 -1.26 -4.65 118.70 119.80 2dle s GLU 58 Ca 0.04 -0.48 0.10 0.00 0.03 0.00 0.00 54.97 54.66 2dle s GLU 58 Cb 0.07 -2.82 0.58 0.00 -0.80 0.00 0.00 34.13 31.16 2dle s GLU 58 CO 0.37 0.35 1.02 -0.35 -1.33 0.00 0.00 175.26 175.32 2dle n PRO 59 N -1.14 0.49 -4.26 -4.83 -0.04 -1.26 -4.70 135.00 119.25 2dle n PRO 59 Ca -0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.23 2dle n PRO 59 Cb 0.55 -1.31 -0.11 0.00 -0.04 0.00 0.00 33.50 32.59 2dle n PRO 59 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2dle s ARG 60 N -2.00 1.08 -0.30 0.54 1.70 -1.26 -2.36 118.95 116.34 2dle s ARG 60 Ca 0.15 -1.33 -0.14 0.00 -0.47 0.00 0.00 55.73 53.94 2dle s ARG 60 Cb 0.07 -0.89 0.14 0.00 -0.57 0.00 0.00 34.95 33.70 2dle s ARG 60 CO 0.11 0.16 0.85 0.00 -1.08 0.00 0.00 175.30 175.34 2dle s ALA 61 N -2.47 -2.35 -0.03 7.88 0.00 -0.79 -4.90 121.76 119.10 2dle s ALA 61 Ca 0.12 2.21 -0.15 0.00 0.00 0.00 0.00 51.96 54.15 2dle s ALA 61 Cb -0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 2dle s ALA 61 CO 0.03 -0.80 0.39 0.08 0.00 0.00 0.00 175.76 175.46 2dle s VAL 62 N 2.35 5.10 -0.49 0.00 1.01 -1.26 -1.96 120.40 125.15 2dle s VAL 62 Ca -0.05 0.79 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2dle s VAL 62 Cb -0.07 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.73 2dle s VAL 62 CO -0.18 0.54 0.37 -0.63 0.00 0.00 0.00 175.10 175.20 2dle s ILE 63 N -0.77 4.28 1.23 2.22 -1.09 -0.26 -4.93 121.20 121.90 2dle s ILE 63 Ca 0.23 -1.81 -0.20 0.00 -2.23 0.00 0.00 60.65 56.63 2dle s ILE 63 Cb -0.16 -3.81 0.30 0.00 -1.58 0.00 0.00 42.46 37.20 2dle s ILE 63 CO 0.12 -0.79 1.11 -2.16 -1.23 0.00 0.00 174.94 171.99 2dle s PRO 64 N 1.32 -1.43 -0.85 2.79 0.04 -1.26 -3.00 135.00 132.60 2dle s PRO 64 Ca 0.06 -0.15 -0.17 0.00 0.04 0.00 0.00 61.00 60.79 2dle s PRO 64 Cb -0.26 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.72 2dle s PRO 64 CO -0.01 -3.84 0.52 0.41 0.04 0.00 0.00 177.00 174.13 2dle n GLY 65 N -0.95 -0.84 4.00 0.56 0.00 -0.74 -4.77 105.19 102.45 2dle n GLY 65 Ca 0.14 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 2dle n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dle s LEU 66 N -5.93 3.65 -0.14 0.99 1.43 -1.17 -4.95 118.68 112.57 2dle s LEU 66 Ca 0.23 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 2dle s LEU 66 Cb -0.13 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 2dle s LEU 66 CO 0.77 -0.76 0.10 -0.60 0.23 0.00 0.00 176.35 176.09 2dle s ARG 67 N -4.38 3.56 0.42 1.70 6.06 -1.25 -4.33 118.95 120.72 2dle s ARG 67 Ca 0.54 -0.22 -0.22 0.00 -2.50 0.00 0.00 55.73 53.32 2dle s ARG 67 Cb -0.10 -3.16 -0.10 0.00 0.06 0.00 0.00 34.95 31.65 2dle s ARG 67 CO 0.34 0.61 0.98 -1.54 -2.50 0.00 0.00 175.30 173.19 2dle s SER 68 N -0.57 6.86 -1.44 -2.12 1.04 -1.25 -3.91 113.70 112.31 2dle s SER 68 Ca 0.12 1.81 -0.11 0.00 0.48 0.00 0.00 55.95 58.24 2dle s SER 68 Cb -0.12 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.46 2dle s SER 68 CO 0.02 -0.42 0.23 -0.24 0.98 0.00 0.00 173.24 173.81 2dle n SER 69 N -0.45 -0.67 -3.88 7.02 2.88 -0.67 -4.85 113.62 113.00 2dle n SER 69 Ca 0.06 -1.28 -0.15 0.00 -1.33 0.00 0.00 58.87 56.18 2dle n SER 69 Cb 0.53 -1.68 -0.15 0.00 -0.75 0.00 0.00 64.21 62.16 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dle s THR 70 N -4.11 0.21 0.40 2.46 2.01 -1.25 -4.98 115.64 110.38 2dle s THR 70 Ca 0.15 -0.05 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 2dle s THR 70 Cb -0.08 -0.22 -0.08 0.00 0.01 0.00 0.00 72.50 72.12 2dle s THR 70 CO 0.99 0.09 1.15 0.12 -0.69 0.00 0.00 174.62 176.28 2dle s PHE 71 N 0.32 3.09 0.06 4.92 5.36 -1.26 -3.78 117.98 126.70 2dle s PHE 71 Ca -0.03 1.57 -0.05 0.00 -0.96 0.00 0.00 56.93 57.46 2dle s PHE 71 Cb -0.06 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.25 2dle s PHE 71 CO -0.01 -1.22 0.07 0.71 -1.46 0.00 0.00 175.22 173.32 2dle s TYR 72 N -1.45 0.33 -0.25 10.12 2.02 -1.21 -4.40 117.35 122.51 2dle s TYR 72 Ca 0.57 -0.81 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2dle s TYR 72 Cb -0.29 -0.23 0.08 0.00 -0.40 0.00 0.00 41.96 41.12 2dle s TYR 72 CO 0.37 -0.44 0.06 -0.80 -1.57 0.00 0.00 175.55 173.17 2dle s ASN 73 N -2.80 3.41 -0.10 2.29 -0.87 -0.14 -3.80 114.94 112.93 2dle s ASN 73 Ca 0.05 -1.17 -0.06 0.00 -1.57 0.00 0.00 52.86 50.10 2dle s ASN 73 Cb 0.06 -0.69 -0.04 0.00 -0.02 0.00 0.00 41.25 40.56 2dle s ASN 73 CO -0.10 -0.36 0.13 -0.63 -2.57 0.00 0.00 177.10 173.58 2dle s ILE 74 N 1.78 5.37 -0.13 0.60 1.01 -1.25 -0.77 121.20 127.82 2dle s ILE 74 Ca 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 2dle s ILE 74 Cb -0.17 -3.35 0.05 0.00 0.01 0.00 0.00 42.46 38.99 2dle s ILE 74 CO -0.17 0.58 0.05 -0.89 0.00 0.00 0.00 174.94 174.51 2dle s THR 75 N -1.05 0.16 -0.45 2.92 2.01 -1.13 -2.71 115.64 115.39 2dle s THR 75 Ca 0.16 -0.08 -0.16 0.00 0.31 0.00 0.00 61.69 61.92 2dle s THR 75 Cb -0.12 -0.60 0.05 0.00 0.01 0.00 0.00 72.50 71.85 2dle s THR 75 CO 0.05 -0.05 0.39 -0.69 -0.69 0.00 0.00 174.62 173.63 2dle s VAL 76 N 2.04 5.20 -0.25 3.82 1.01 -0.11 -1.91 120.40 130.20 2dle s VAL 76 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 2dle s VAL 76 Cb -0.15 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2dle s VAL 76 CO -0.07 -0.51 -0.00 0.00 0.00 0.00 0.00 175.10 174.53 2dle s PRO 78 N 1.45 3.14 -0.23 0.00 0.04 -1.26 -2.45 135.00 135.69 2dle s PRO 78 Ca 0.03 1.52 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 2dle s PRO 78 Cb -0.16 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.52 2dle s PRO 78 CO -0.01 -1.00 0.38 0.08 0.04 0.00 0.00 177.00 176.48 2dle s VAL 79 N -2.01 -0.60 -0.52 -0.36 1.01 -1.20 -2.09 120.40 114.63 2dle s VAL 79 Ca 0.70 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 2dle s VAL 79 Cb -0.22 -0.75 0.15 0.00 0.00 0.00 0.00 36.38 35.55 2dle s VAL 79 CO 0.33 -0.06 2.53 -0.11 0.00 0.00 0.00 175.10 177.78 2dle n LEU 80 N 5.37 6.72 0.00 3.92 7.94 -0.14 -2.22 117.00 138.59 2dle n LEU 80 Ca -0.05 -4.14 0.00 0.00 -1.11 0.00 0.00 56.01 50.71 2dle n LEU 80 Cb 0.50 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 43.28 2dle n LEU 80 CO 0.04 1.67 0.00 0.61 -1.11 0.00 0.00 177.39 178.61 2dle n GLY 81 N 0.48 2.01 0.00 -3.96 0.00 -1.26 -4.32 105.19 98.14 2dle n GLY 81 Ca 0.49 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2dle n GLY 81 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dle n ASP 82 N 3.13 3.77 -4.88 1.61 2.03 -1.26 -5.04 116.55 115.91 2dle n ASP 82 Ca 0.00 -0.08 -0.35 0.00 0.52 0.00 0.00 54.79 54.89 2dle n ASP 82 Cb 0.00 0.91 -0.05 0.00 -0.72 0.00 0.00 41.12 41.26 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2dle s ILE 83 N -1.66 5.29 0.22 5.18 1.01 -1.26 -5.11 121.20 124.87 2dle s ILE 83 Ca 0.00 0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.93 2dle s ILE 83 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2dle s ILE 83 CO 0.00 0.36 -0.18 -1.61 0.00 0.00 0.00 174.94 173.51 2dle s GLU 84 N -1.76 1.46 0.00 2.79 8.01 -1.26 -0.97 118.70 126.97 2dle s GLU 84 Ca 0.28 -1.61 0.00 0.00 0.01 0.00 0.00 54.97 53.64 2dle s GLU 84 Cb -0.13 -1.46 0.00 0.00 -4.31 0.00 0.00 34.13 28.22 2dle s GLU 84 CO 0.16 0.27 0.00 0.41 0.01 0.00 0.00 175.26 176.12 2dle n GLY 85 N -0.27 5.68 3.68 -1.39 0.00 -0.89 -4.94 105.19 107.06 2dle n GLY 85 Ca -0.08 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 2dle n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dle s THR 86 N 0.70 4.23 0.05 2.61 2.01 -0.70 -4.65 115.64 119.89 2dle s THR 86 Ca 0.00 1.54 -0.31 0.00 0.31 0.00 0.00 61.69 63.23 2dle s THR 86 Cb 0.00 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.45 2dle s THR 86 CO 0.00 -0.04 1.41 -2.16 -0.69 0.00 0.00 174.62 173.14 2dle s PRO 87 N 2.62 4.30 -0.31 4.92 0.04 -1.26 -3.44 135.00 141.86 2dle s PRO 87 Ca 0.56 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.42 2dle s PRO 87 Cb -0.24 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 2dle s PRO 87 CO 0.20 -0.52 0.64 0.20 0.04 0.00 0.00 177.00 177.56 2dle s GLY 88 N 1.61 1.77 0.09 0.56 0.00 0.56 -4.84 107.32 107.06 2dle s GLY 88 Ca 0.65 -0.66 -0.03 0.00 0.00 0.00 0.00 44.72 44.68 2dle s GLY 88 CO 0.28 1.49 0.28 -1.36 0.00 0.00 0.00 173.10 173.79 2dle s PHE 89 N 2.65 3.51 -0.28 1.90 0.40 -1.26 -0.93 117.98 123.97 2dle s PHE 89 Ca 0.26 0.41 -0.06 0.00 -0.60 0.00 0.00 56.93 56.93 2dle s PHE 89 Cb -0.15 -1.88 0.15 0.00 0.51 0.00 0.00 43.02 41.65 2dle s PHE 89 CO 0.12 0.53 0.58 -1.17 0.70 0.00 0.00 175.22 175.98 2dle s LEU 90 N -2.48 -1.12 0.02 -0.37 2.96 -1.10 -4.94 118.68 111.64 2dle s LEU 90 Ca 0.37 1.12 -0.30 0.00 -0.22 0.00 0.00 54.13 55.10 2dle s LEU 90 Cb -0.13 2.03 -0.04 0.00 0.50 0.00 0.00 46.19 48.55 2dle s LEU 90 CO 0.25 -0.24 1.11 -1.10 -1.32 0.00 0.00 176.35 175.05 2dle s GLN 91 N 2.82 4.47 0.01 1.98 -0.21 -1.26 -3.77 119.66 123.70 2dle s GLN 91 Ca 0.06 1.61 0.06 0.00 0.02 0.00 0.00 55.36 57.12 2dle s GLN 91 Cb -0.13 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.43 2dle s GLN 91 CO -0.19 -0.21 -0.19 0.14 -2.12 0.00 0.00 175.29 172.73 2dle s VAL 92 N 1.23 1.48 -0.34 1.09 -7.23 -1.25 -5.06 120.40 110.31 2dle s VAL 92 Ca 0.55 -0.96 0.02 0.00 -1.81 0.00 0.00 61.98 59.78 2dle s VAL 92 Cb -0.25 -1.26 0.10 0.00 0.56 0.00 0.00 36.38 35.53 2dle s VAL 92 CO 0.27 0.28 0.09 -2.28 -0.31 0.00 0.00 175.10 173.15 2dle s HIS 93 N -0.62 2.84 0.42 2.82 2.46 -1.26 -3.28 115.29 118.66 2dle s HIS 93 Ca 0.06 -2.50 -0.26 0.00 0.47 0.00 0.00 55.06 52.84 2dle s HIS 93 Cb -0.08 -2.40 -0.10 0.00 -0.13 0.00 0.00 32.58 29.88 2dle s HIS 93 CO 0.00 -0.90 1.36 0.25 -2.47 0.00 0.00 174.74 172.98 2dle n THR 94 N 4.38 2.51 -1.24 0.89 -2.24 -1.25 -4.95 114.28 112.38 2dle n THR 94 Ca 0.02 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 2dle n THR 94 Cb 0.41 -1.72 0.11 0.00 -2.10 0.00 0.00 70.33 67.02 2dle n THR 94 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dle s PRO 95 N -2.25 1.95 0.01 -0.78 0.04 -1.26 -2.27 135.00 130.44 2dle s PRO 95 Ca 0.59 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 2dle s PRO 95 Cb -0.49 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2dle s PRO 95 CO 0.59 -1.83 1.44 -1.25 0.04 0.00 0.00 177.00 176.00 2dle s PRO 96 N -4.91 4.26 0.05 0.56 0.04 -1.26 -1.67 135.00 132.07 2dle s PRO 96 Ca 0.62 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 63.34 2dle s PRO 96 Cb -0.17 -3.59 -0.12 0.00 0.04 0.00 0.00 34.50 30.65 2dle s PRO 96 CO 0.56 -0.61 1.75 1.55 0.04 0.00 0.00 177.00 180.29 2dle n VAL 97 N 4.72 0.30 -2.04 -0.36 3.14 -1.26 -4.85 118.33 117.97 2dle n VAL 97 Ca 0.14 -0.05 -0.30 0.00 -2.96 0.00 0.00 64.34 61.16 2dle n VAL 97 Cb 0.43 -1.77 -0.04 0.00 -1.06 0.00 0.00 33.84 31.39 2dle n VAL 97 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2dle s PRO 98 N 2.51 2.57 0.15 1.45 0.04 -1.26 -4.90 135.00 135.57 2dle s PRO 98 Ca 0.85 -0.03 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 2dle s PRO 98 Cb -0.65 -4.87 0.02 0.00 0.04 0.00 0.00 34.50 29.04 2dle s PRO 98 CO 0.43 -3.20 0.41 -1.54 0.04 0.00 0.00 177.00 173.15 2dle s SER 99 N 8.07 -0.18 0.32 6.66 1.04 -1.26 -5.19 113.70 123.17 2dle s SER 99 Ca 0.69 -0.48 -0.19 0.00 0.48 0.00 0.00 55.95 56.46 2dle s SER 99 Cb -0.08 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2dle s SER 99 CO 0.05 -0.92 0.80 -0.83 0.98 0.00 0.00 173.24 173.32 2dle s GLY 100 N -2.86 0.16 -0.22 7.32 0.00 -1.26 -5.12 107.32 105.33 2dle s GLY 100 Ca 0.07 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 2dle s GLY 100 CO -0.07 -0.01 1.61 2.56 0.00 0.00 0.00 173.10 177.19 2dle s PRO 101 N -2.91 3.80 -0.54 2.90 0.04 -1.26 -4.90 135.00 132.12 2dle s PRO 101 Ca 0.14 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 2dle s PRO 101 Cb -0.05 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.36 2dle s PRO 101 CO 0.09 -1.29 2.44 -1.13 0.04 0.00 0.00 177.00 177.15 2dle n SER 102 N 8.43 2.08 -4.61 6.66 3.41 -1.26 -4.92 113.62 123.41 2dle n SER 102 Ca 0.19 -0.35 -0.34 0.00 -0.26 0.00 0.00 58.87 58.10 2dle n SER 102 Cb 0.45 -1.48 -0.11 0.00 -0.26 0.00 0.00 64.21 62.81 2dle n SER 102 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dle s SER 103 N 11.47 4.95 0.00 4.04 0.01 -1.26 -5.37 113.70 127.54 2dle s SER 103 Ca 1.04 0.03 0.31 0.00 1.31 0.00 0.00 55.95 58.64 2dle s SER 103 Cb -0.35 -1.42 1.61 0.00 0.21 0.00 0.00 66.02 66.06 2dle s SER 103 CO 0.30 0.33 2.06 0.61 0.41 0.00 0.00 173.24 176.96