#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dle h SER 2 N 0.00 0.68 -4.01 1.61 0.02 -2.09 -3.44 113.55 106.32 2dle h SER 2 Ca 0.00 -0.21 -0.65 0.00 -0.84 0.00 0.00 61.79 60.09 2dle h SER 2 Cb 0.00 -0.18 -0.22 0.00 0.14 0.00 0.00 62.40 62.14 2dle h SER 2 CO 0.00 0.71 -0.86 -0.44 -1.14 0.00 0.00 176.83 175.10 2dle s SER 3 N -6.04 3.07 0.00 3.07 0.01 -1.26 -5.11 113.70 107.44 2dle s SER 3 Ca -0.13 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2dle s SER 3 Cb 0.11 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2dle s SER 3 CO 0.78 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.19 2dle n GLY 4 N 1.02 4.24 1.16 3.44 0.00 -1.26 -5.10 105.19 108.69 2dle n GLY 4 Ca -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2dle n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dle n SER 5 N 0.00 0.84 -4.68 1.61 2.88 -1.26 -5.02 113.62 107.99 2dle n SER 5 Ca 0.00 0.16 -0.42 0.00 -1.33 0.00 0.00 58.87 57.28 2dle n SER 5 Cb 0.00 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 2dle n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dle s SER 6 N -5.76 7.14 1.00 -3.46 1.04 -1.26 -5.05 113.70 107.36 2dle s SER 6 Ca 0.00 1.41 -0.03 0.00 0.48 0.00 0.00 55.95 57.80 2dle s SER 6 Cb 0.00 -2.52 0.05 0.00 0.10 0.00 0.00 66.02 63.64 2dle s SER 6 CO 0.00 -0.45 0.28 0.61 0.98 0.00 0.00 173.24 174.66 2dle n GLY 7 N 3.22 -1.21 3.37 7.32 0.00 -1.26 -5.00 105.19 111.63 2dle n GLY 7 Ca 0.08 -1.68 -0.45 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.99 3.45 0.21 4.61 0.00 -1.26 -5.03 121.76 119.74 2dle s ALA 8 Ca 0.16 -2.30 -0.32 0.00 0.00 0.00 0.00 51.96 49.49 2dle s ALA 8 Cb -0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 2dle s ALA 8 CO 0.11 -2.34 1.65 -0.89 0.00 0.00 0.00 175.76 174.29 2dle n ILE 9 N 5.48 0.17 -3.77 0.00 5.41 -1.26 -4.89 119.36 120.49 2dle n ILE 9 Ca -0.08 -0.04 -0.18 0.00 1.00 0.00 0.00 62.75 63.44 2dle n ILE 9 Cb 0.43 -1.83 -0.17 0.00 -0.71 0.00 0.00 39.64 37.36 2dle n ILE 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2dle s GLN 10 N 0.82 0.10 -0.11 0.38 0.74 -1.26 -0.80 119.66 119.52 2dle s GLN 10 Ca 0.75 0.23 -0.23 0.00 0.05 0.00 0.00 55.36 56.16 2dle s GLN 10 Cb -0.56 -0.48 -0.03 0.00 1.10 0.00 0.00 33.01 33.04 2dle s GLN 10 CO 0.37 -0.24 0.68 0.08 -0.55 0.00 0.00 175.29 175.63 2dle s VAL 11 N 1.58 5.04 0.25 1.34 1.01 -1.18 -3.75 120.40 124.68 2dle s VAL 11 Ca -0.02 1.36 0.01 0.00 0.00 0.00 0.00 61.98 63.32 2dle s VAL 11 Cb -0.13 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2dle s VAL 11 CO -0.03 0.20 0.12 0.72 0.00 0.00 0.00 175.10 176.11 2dle s PHE 12 N 1.20 1.44 -1.31 5.22 -0.71 -0.48 -4.56 117.98 118.78 2dle s PHE 12 Ca 0.34 -1.27 -0.04 0.00 -1.04 0.00 0.00 56.93 54.93 2dle s PHE 12 Cb -0.17 -0.79 0.00 0.00 -1.21 0.00 0.00 43.02 40.85 2dle s PHE 12 CO 0.15 -0.46 0.48 -3.47 -1.34 0.00 0.00 175.22 170.58 2dle n ASP 13 N -0.49 -5.36 -4.65 1.98 2.03 -1.26 -0.05 116.55 108.74 2dle n ASP 13 Ca 0.01 -0.22 -0.43 0.00 0.52 0.00 0.00 54.79 54.67 2dle n ASP 13 Cb 0.66 -4.22 -0.02 0.00 -0.72 0.00 0.00 41.12 36.82 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 -3.06 4.03 0.12 5.18 1.01 -1.26 -4.16 120.40 122.26 2dle s VAL 14 Ca 0.24 1.23 -0.14 0.00 0.00 0.00 0.00 61.98 63.31 2dle s VAL 14 Cb -0.10 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2dle s VAL 14 CO 0.29 -0.16 0.34 -0.89 0.00 0.00 0.00 175.10 174.68 2dle s THR 15 N 3.88 0.09 -0.50 3.92 2.01 0.10 -4.96 115.64 120.18 2dle s THR 15 Ca 0.61 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 2dle s THR 15 Cb -0.24 -1.27 0.10 0.00 0.01 0.00 0.00 72.50 71.10 2dle s THR 15 CO 0.21 -0.40 0.42 0.00 -0.69 0.00 0.00 174.62 174.16 2dle s ALA 16 N -3.83 3.56 0.35 7.40 0.00 -1.26 -0.53 121.76 127.45 2dle s ALA 16 Ca 0.05 -2.36 0.12 0.00 0.00 0.00 0.00 51.96 49.77 2dle s ALA 16 Cb 0.03 -3.09 0.94 0.00 0.00 0.00 0.00 23.12 20.99 2dle s ALA 16 CO -0.11 -1.87 1.78 -0.39 0.00 0.00 0.00 175.76 175.17 2dle h VAL 17 N 5.89 0.61 -2.71 0.00 -1.51 -1.80 -3.41 116.25 113.31 2dle h VAL 17 Ca -0.28 -0.19 -0.12 0.00 -1.23 0.00 0.00 66.70 64.88 2dle h VAL 17 Cb 1.10 0.00 -0.25 0.00 -2.13 0.00 0.00 31.29 30.01 2dle h VAL 17 CO 0.94 0.10 -0.26 0.21 -1.23 0.00 0.00 177.57 177.33 2dle s ASN 18 N -5.35 -0.45 -0.28 4.19 3.84 -1.24 -5.03 114.94 110.61 2dle s ASN 18 Ca -0.10 0.85 0.01 0.00 0.21 0.00 0.00 52.86 53.83 2dle s ASN 18 Cb 0.25 0.82 0.08 0.00 -0.55 0.00 0.00 41.25 41.85 2dle s ASN 18 CO 0.80 -0.16 0.01 -0.63 -2.79 0.00 0.00 177.10 174.33 2dle s ILE 19 N 0.58 1.59 0.33 -5.21 1.01 -1.26 -0.93 121.20 117.31 2dle s ILE 19 Ca -0.03 -1.59 0.03 0.00 0.00 0.00 0.00 60.65 59.06 2dle s ILE 19 Cb -0.05 -2.02 0.06 0.00 0.01 0.00 0.00 42.46 40.46 2dle s ILE 19 CO -0.03 -0.38 0.45 -1.20 0.00 0.00 0.00 174.94 173.78 2dle n SER 20 N 4.59 0.89 -0.02 3.58 7.64 0.30 -4.75 113.62 125.85 2dle n SER 20 Ca -0.05 -1.68 -0.16 0.00 1.01 0.00 0.00 58.87 57.99 2dle n SER 20 Cb 0.43 -0.27 -0.12 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.09 0.04 -0.24 -0.43 0.00 -1.93 -3.35 119.26 113.25 2dle h ALA 21 Ca -0.15 -0.51 -0.15 0.00 0.00 0.00 0.00 54.91 54.10 2dle h ALA 21 Cb 0.63 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2dle h ALA 21 CO 0.19 0.16 -0.36 0.25 0.00 0.00 0.00 179.25 179.49 2dle n THR 22 N -4.42 2.41 -3.61 0.00 -2.24 -1.26 -3.79 114.28 101.37 2dle n THR 22 Ca -0.10 -3.19 -0.06 0.00 -2.27 0.00 0.00 64.05 58.42 2dle n THR 22 Cb 0.56 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.34 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 -3.01 -0.21 -0.26 3.42 1.04 -1.25 -1.39 113.70 112.04 2dle s SER 23 Ca 0.43 0.24 -0.10 0.00 0.48 0.00 0.00 55.95 56.99 2dle s SER 23 Cb 0.39 0.18 0.10 0.00 0.10 0.00 0.00 66.02 66.80 2dle s SER 23 CO -0.03 -0.19 0.58 -1.48 0.98 0.00 0.00 173.24 173.09 2dle s LEU 24 N -1.03 -0.88 -0.24 2.42 0.05 -1.19 0.11 118.68 117.92 2dle s LEU 24 Ca 0.03 1.35 -0.19 0.00 0.05 0.00 0.00 54.13 55.37 2dle s LEU 24 Cb -0.01 1.99 -0.02 0.00 -2.05 0.00 0.00 46.19 46.10 2dle s LEU 24 CO -0.03 -0.22 0.57 -0.89 -0.55 0.00 0.00 176.35 175.22 2dle s THR 25 N 2.42 5.04 -0.06 5.48 2.01 -0.10 -1.59 115.64 128.85 2dle s THR 25 Ca -0.06 1.02 -0.05 0.00 0.31 0.00 0.00 61.69 62.91 2dle s THR 25 Cb -0.10 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2dle s THR 25 CO -0.17 0.08 0.17 -0.22 -0.69 0.00 0.00 174.62 173.79 2dle s LEU 26 N 2.21 4.38 0.02 4.42 2.96 -0.91 -2.29 118.68 129.47 2dle s LEU 26 Ca 0.24 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2dle s LEU 26 Cb -0.16 -2.38 -0.02 0.00 0.50 0.00 0.00 46.19 44.13 2dle s LEU 26 CO 0.09 0.33 -0.03 0.27 -1.32 0.00 0.00 176.35 175.69 2dle s ILE 27 N -1.19 0.12 0.12 6.68 -4.36 0.31 -2.14 121.20 120.74 2dle s ILE 27 Ca 0.22 -0.86 -0.18 0.00 -0.26 0.00 0.00 60.65 59.57 2dle s ILE 27 Cb -0.12 -0.26 0.04 0.00 1.25 0.00 0.00 42.46 43.37 2dle s ILE 27 CO 0.12 -0.47 0.45 -1.66 0.24 0.00 0.00 174.94 173.63 2dle s TRP 28 N -1.37 -0.29 -0.11 1.37 -2.14 -1.10 -0.72 118.94 114.57 2dle s TRP 28 Ca -0.15 0.04 0.00 0.00 2.66 0.00 0.00 56.10 58.65 2dle s TRP 28 Cb -0.09 0.33 -0.02 0.00 -3.10 0.00 0.00 33.47 30.58 2dle s TRP 28 CO -0.01 -0.72 -0.12 0.21 -2.66 0.00 0.00 176.95 173.65 2dle s LYS 29 N -3.64 3.22 0.25 3.25 2.20 0.93 -4.87 119.74 121.08 2dle s LYS 29 Ca 0.02 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2dle s LYS 29 Cb 0.01 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.67 2dle s LYS 29 CO -0.11 0.32 0.42 0.08 -0.36 0.00 0.00 175.35 175.70 2dle s VAL 30 N 0.07 5.20 -0.57 4.02 1.01 -1.26 -1.38 120.40 127.49 2dle s VAL 30 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.37 2dle s VAL 30 Cb -0.14 -3.80 0.43 0.00 0.00 0.00 0.00 36.38 32.86 2dle s VAL 30 CO 0.04 -0.32 1.65 -0.24 0.00 0.00 0.00 175.10 176.24 2dle n SER 31 N -1.17 6.42 -3.18 3.32 2.88 -1.25 -4.88 113.62 115.77 2dle n SER 31 Ca -0.06 -3.78 0.05 0.00 -1.33 0.00 0.00 58.87 53.75 2dle n SER 31 Cb 0.55 -0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 2dle n SER 31 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2dle s ASP 32 N -2.44 -0.31 -0.20 -3.46 1.47 -1.26 -4.91 116.67 105.57 2dle s ASP 32 Ca 0.56 0.25 0.12 0.00 1.18 0.00 0.00 52.55 54.66 2dle s ASP 32 Cb 0.45 1.28 0.40 0.00 -0.34 0.00 0.00 42.92 44.71 2dle s ASP 32 CO -0.11 -0.06 1.21 0.59 0.68 0.00 0.00 175.17 177.48 2dle n ASN 33 N 5.27 1.81 -0.07 2.11 4.13 -1.26 -4.60 115.26 122.64 2dle n ASN 33 Ca -0.08 -3.76 -0.09 0.00 1.68 0.00 0.00 54.58 52.33 2dle n ASN 33 Cb 0.54 -0.51 -0.06 0.00 -1.54 0.00 0.00 39.78 38.21 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 0.83 0.00 -0.59 3.52 5.08 -2.03 -3.39 114.58 118.00 2dle h GLU 34 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2dle h GLU 34 Cb 1.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.04 2dle h GLU 34 CO 0.00 0.42 0.01 0.45 -1.00 0.00 0.00 179.01 178.88 2dle n SER 35 N -4.61 3.83 -1.97 1.42 2.88 -1.26 -4.80 113.62 109.10 2dle n SER 35 Ca -0.12 -3.77 -0.09 0.00 -1.33 0.00 0.00 58.87 53.56 2dle n SER 35 Cb 0.34 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 2dle n SER 35 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dle n SER 36 N -1.02 4.63 -0.10 -3.46 3.41 -1.26 -4.13 113.62 111.68 2dle n SER 36 Ca 0.43 -2.34 -0.18 0.00 -0.26 0.00 0.00 58.87 56.52 2dle n SER 36 Cb 1.04 -1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.71 2dle n SER 36 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dle n SER 37 N 2.38 1.88 -2.15 4.04 2.88 -1.26 -4.55 113.62 116.84 2dle n SER 37 Ca 0.31 0.44 -0.28 0.00 -1.33 0.00 0.00 58.87 58.01 2dle n SER 37 Cb 0.74 -0.88 0.04 0.00 -0.75 0.00 0.00 64.21 63.37 2dle n SER 37 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dle n ASN 38 N -4.44 6.06 -4.69 -3.46 4.13 -1.26 -5.02 115.26 106.58 2dle n ASN 38 Ca -0.29 -3.77 -0.42 0.00 1.68 0.00 0.00 54.58 51.78 2dle n ASN 38 Cb 0.60 -0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dle s TYR 39 N -3.69 3.37 0.35 3.10 1.51 -1.26 -4.64 117.35 116.08 2dle s TYR 39 Ca 0.57 1.38 0.08 0.00 -1.01 0.00 0.00 57.07 58.09 2dle s TYR 39 Cb 0.45 -3.33 -0.05 0.00 -0.11 0.00 0.00 41.96 38.93 2dle s TYR 39 CO 0.02 -0.89 0.12 0.95 -1.11 0.00 0.00 175.55 174.64 2dle s THR 40 N 1.82 2.81 -0.11 -0.71 -4.23 -0.95 -4.39 115.64 109.88 2dle s THR 40 Ca 0.54 -1.75 -0.03 0.00 -1.18 0.00 0.00 61.69 59.27 2dle s THR 40 Cb -0.24 -2.94 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2dle s THR 40 CO 0.23 -0.15 0.13 -0.31 -0.54 0.00 0.00 174.62 173.98 2dle s TYR 41 N -2.48 -0.05 -0.65 3.99 2.02 -1.05 -1.64 117.35 117.49 2dle s TYR 41 Ca 0.38 0.27 -0.20 0.00 -0.37 0.00 0.00 57.07 57.15 2dle s TYR 41 Cb -0.01 -0.42 0.10 0.00 -0.40 0.00 0.00 41.96 41.22 2dle s TYR 41 CO 0.22 -0.35 0.84 0.15 -1.57 0.00 0.00 175.55 174.83 2dle s LYS 42 N 2.23 3.13 -0.70 -0.62 1.02 -0.93 -2.80 119.74 121.08 2dle s LYS 42 Ca 0.04 -1.21 -0.22 0.00 0.02 0.00 0.00 55.97 54.60 2dle s LYS 42 Cb -0.13 -4.31 0.08 0.00 -0.52 0.00 0.00 37.83 32.95 2dle s LYS 42 CO -0.07 -1.66 0.97 0.42 -0.92 0.00 0.00 175.35 174.10 2dle s ILE 43 N 3.12 4.42 -0.39 2.17 1.09 -1.16 -3.12 121.20 127.32 2dle s ILE 43 Ca 0.17 -0.59 -0.26 0.00 -1.10 0.00 0.00 60.65 58.86 2dle s ILE 43 Cb -0.20 -4.69 0.02 0.00 -1.06 0.00 0.00 42.46 36.53 2dle s ILE 43 CO 0.06 -1.45 0.96 -2.28 -0.10 0.00 0.00 174.94 172.13 2dle s HIS 44 N 3.77 3.02 -0.19 3.97 5.65 -1.02 -1.08 115.29 129.41 2dle s HIS 44 Ca 0.23 0.72 -0.15 0.00 0.25 0.00 0.00 55.06 56.11 2dle s HIS 44 Cb -0.15 -3.80 -0.04 0.00 -1.18 0.00 0.00 32.58 27.40 2dle s HIS 44 CO 0.07 -0.92 0.36 0.08 -0.65 0.00 0.00 174.74 173.67 2dle s VAL 45 N 3.65 5.24 -0.32 0.89 1.01 0.21 -2.76 120.40 128.32 2dle s VAL 45 Ca 0.40 0.65 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2dle s VAL 45 Cb -0.11 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.66 2dle s VAL 45 CO 0.21 0.30 0.01 0.00 0.00 0.00 0.00 175.10 175.63 2dle s ALA 46 N 1.03 2.82 0.31 5.51 0.00 -1.04 -0.94 121.76 129.44 2dle s ALA 46 Ca 0.18 -2.18 0.00 0.00 0.00 0.00 0.00 51.96 49.96 2dle s ALA 46 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2dle s ALA 46 CO 0.07 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.75 2dle n GLY 47 N 4.41 1.00 0.09 0.00 0.00 -0.61 -2.67 105.19 107.41 2dle n GLY 47 Ca -0.05 -1.97 0.09 0.00 0.00 0.00 0.00 46.02 44.08 2dle n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dle n GLU 48 N -0.82 0.62 -0.14 1.61 0.28 -1.26 -4.43 120.64 116.51 2dle n GLU 48 Ca 0.00 0.09 -0.26 0.00 -0.16 0.00 0.00 57.16 56.84 2dle n GLU 48 Cb 0.00 -1.77 -0.11 0.00 1.43 0.00 0.00 31.44 30.99 2dle n GLU 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2dle n THR 49 N -2.66 1.52 -3.94 3.84 -2.24 -1.26 -5.08 114.28 104.46 2dle n THR 49 Ca -0.03 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.19 2dle n THR 49 Cb 0.63 -1.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.12 2dle n THR 49 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dle s ASP 50 N -7.14 0.13 0.36 3.42 1.01 -1.26 -5.19 116.67 108.00 2dle s ASP 50 Ca -0.37 -1.06 0.05 0.00 0.71 0.00 0.00 52.55 51.88 2dle s ASP 50 Cb 0.13 0.70 -0.07 0.00 1.01 0.00 0.00 42.92 44.69 2dle s ASP 50 CO 0.53 -1.37 0.04 -0.94 0.21 0.00 0.00 175.17 173.64 2dle s SER 51 N -3.06 3.04 0.23 0.27 1.04 -1.26 -1.58 113.70 112.38 2dle s SER 51 Ca 0.20 -1.38 -0.22 0.00 0.48 0.00 0.00 55.95 55.04 2dle s SER 51 Cb -0.03 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.91 2dle s SER 51 CO 0.12 -0.54 0.71 -0.44 0.98 0.00 0.00 173.24 174.07 2dle s SER 52 N -3.59 -0.34 0.03 7.02 0.01 -0.12 -4.99 113.70 111.73 2dle s SER 52 Ca 0.36 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 57.28 2dle s SER 52 Cb 0.09 0.67 -0.02 0.00 0.21 0.00 0.00 66.02 66.97 2dle s SER 52 CO 0.17 -1.20 -0.24 0.21 0.41 0.00 0.00 173.24 172.59 2dle s ASN 53 N -2.87 2.85 0.38 2.44 3.84 -1.26 -0.62 114.94 119.70 2dle s ASN 53 Ca 0.08 -0.53 0.08 0.00 0.21 0.00 0.00 52.86 52.71 2dle s ASN 53 Cb -0.04 -0.27 -0.06 0.00 -0.55 0.00 0.00 41.25 40.33 2dle s ASN 53 CO 0.01 0.24 0.07 -0.22 -2.79 0.00 0.00 177.10 174.41 2dle s LEU 54 N -1.03 3.01 -0.22 3.21 2.96 -0.24 -4.96 118.68 121.41 2dle s LEU 54 Ca 0.10 -1.10 -0.10 0.00 -0.22 0.00 0.00 54.13 52.81 2dle s LEU 54 Cb -0.09 -1.30 0.08 0.00 0.50 0.00 0.00 46.19 45.38 2dle s LEU 54 CO 0.01 -0.39 0.49 0.21 -1.32 0.00 0.00 176.35 175.35 2dle s ASN 55 N -3.79 -0.59 0.27 3.68 3.84 -1.26 -2.97 114.94 114.13 2dle s ASN 55 Ca 0.37 1.13 0.05 0.00 0.21 0.00 0.00 52.86 54.61 2dle s ASN 55 Cb 0.03 1.27 -0.02 0.00 -0.55 0.00 0.00 41.25 41.99 2dle s ASN 55 CO 0.20 -0.22 0.27 1.33 -2.79 0.00 0.00 177.10 175.89 2dle n VAL 56 N 4.80 0.00 -0.33 -5.21 0.24 -1.12 -4.99 118.33 111.72 2dle n VAL 56 Ca -0.16 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.27 2dle n VAL 56 Cb 0.53 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 2dle n VAL 56 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dle n SER 57 N -1.88 1.20 -4.46 -1.34 2.88 -1.26 -2.52 113.62 106.23 2dle n SER 57 Ca 0.05 -1.52 -0.23 0.00 -1.33 0.00 0.00 58.87 55.83 2dle n SER 57 Cb 0.49 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 2dle n SER 57 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2dle s GLU 58 N -0.52 1.64 0.00 -1.46 -1.05 -1.26 -4.73 118.70 111.32 2dle s GLU 58 Ca 0.00 -1.78 0.09 0.00 -0.15 0.00 0.00 54.97 53.13 2dle s GLU 58 Cb 0.00 -1.61 0.54 0.00 -0.44 0.00 0.00 34.13 32.62 2dle s GLU 58 CO 0.00 0.25 0.99 -0.35 0.95 0.00 0.00 175.26 177.10 2dle n PRO 59 N -0.61 0.49 -4.14 -4.83 -0.04 -1.26 -4.69 135.00 119.92 2dle n PRO 59 Ca -0.05 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2dle n PRO 59 Cb 0.61 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.73 -0.30 0.54 1.04 -1.26 -2.70 118.95 115.00 2dle s ARG 60 Ca 0.14 -0.97 -0.10 0.00 -1.04 0.00 0.00 55.73 53.76 2dle s ARG 60 Cb 0.06 -0.54 0.13 0.00 -2.04 0.00 0.00 34.95 32.56 2dle s ARG 60 CO 0.11 0.10 0.65 0.00 -0.04 0.00 0.00 175.30 176.11 2dle s ALA 61 N -1.74 -2.05 0.10 7.88 0.00 -0.91 -4.88 121.76 120.16 2dle s ALA 61 Ca -0.02 2.33 -0.08 0.00 0.00 0.00 0.00 51.96 54.19 2dle s ALA 61 Cb -0.07 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.20 2dle s ALA 61 CO 0.01 -0.94 0.40 0.54 0.00 0.00 0.00 175.76 175.76 2dle s VAL 62 N 2.90 5.11 -0.41 0.00 0.11 -1.26 -2.14 120.40 124.72 2dle s VAL 62 Ca -0.05 0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.31 2dle s VAL 62 Cb -0.12 -3.63 0.11 0.00 -1.53 0.00 0.00 36.38 31.21 2dle s VAL 62 CO -0.19 0.21 0.19 -0.63 -3.33 0.00 0.00 175.10 171.35 2dle s ILE 63 N -1.48 3.14 1.18 7.04 -1.09 -0.62 -4.94 121.20 124.43 2dle s ILE 63 Ca 0.36 -2.14 -0.18 0.00 -2.23 0.00 0.00 60.65 56.45 2dle s ILE 63 Cb -0.13 -3.17 0.27 0.00 -1.58 0.00 0.00 42.46 37.85 2dle s ILE 63 CO 0.20 -0.69 1.11 -2.16 -1.23 0.00 0.00 174.94 172.17 2dle s PRO 64 N 1.05 -1.02 -1.04 2.79 0.04 -1.26 -3.17 135.00 132.39 2dle s PRO 64 Ca 0.09 0.01 -0.20 0.00 0.04 0.00 0.00 61.00 60.94 2dle s PRO 64 Cb -0.22 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 32.73 2dle s PRO 64 CO -0.05 -3.59 0.64 0.41 0.04 0.00 0.00 177.00 174.45 2dle n GLY 65 N -0.96 -1.03 3.87 0.56 0.00 -0.48 -4.79 105.19 102.36 2dle n GLY 65 Ca 0.12 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.37 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 -6.40 3.95 -0.03 0.99 1.43 -1.10 -4.96 118.68 112.57 2dle s LEU 66 Ca 0.28 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.12 2dle s LEU 66 Cb -0.16 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2dle s LEU 66 CO 0.93 -0.05 0.28 -0.60 0.23 0.00 0.00 176.35 177.14 2dle s ARG 67 N -3.88 3.65 0.53 1.70 3.52 -1.25 -4.04 118.95 119.17 2dle s ARG 67 Ca 0.33 0.07 -0.07 0.00 -0.13 0.00 0.00 55.73 55.94 2dle s ARG 67 Cb -0.08 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.13 2dle s ARG 67 CO 0.26 0.70 0.86 -1.54 -0.81 0.00 0.00 175.30 174.77 2dle s SER 68 N -1.29 6.13 -1.43 -2.12 1.04 -1.25 -4.24 113.70 110.55 2dle s SER 68 Ca 0.23 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 2dle s SER 68 Cb -0.14 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.80 2dle s SER 68 CO 0.11 -0.73 0.27 -1.54 0.98 0.00 0.00 173.24 172.33 2dle n SER 69 N -2.43 -0.84 -3.77 7.02 3.41 -1.02 -4.94 113.62 111.06 2dle n SER 69 Ca 0.02 -1.25 -0.13 0.00 -0.26 0.00 0.00 58.87 57.25 2dle n SER 69 Cb 0.55 -1.81 -0.13 0.00 -0.26 0.00 0.00 64.21 62.56 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dle s THR 70 N -4.07 -0.02 0.39 6.66 2.01 -1.26 -5.00 115.64 114.34 2dle s THR 70 Ca 0.16 0.09 -0.25 0.00 0.31 0.00 0.00 61.69 61.99 2dle s THR 70 Cb -0.09 -0.30 -0.09 0.00 0.01 0.00 0.00 72.50 72.04 2dle s THR 70 CO 0.98 0.03 1.13 0.12 -0.69 0.00 0.00 174.62 176.19 2dle s PHE 71 N 0.69 3.17 0.03 4.92 5.36 -1.26 -3.74 117.98 127.16 2dle s PHE 71 Ca -0.05 1.59 -0.01 0.00 -0.96 0.00 0.00 56.93 57.50 2dle s PHE 71 Cb -0.06 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 39.28 2dle s PHE 71 CO -0.04 -1.06 -0.02 0.71 -1.46 0.00 0.00 175.22 173.36 2dle s TYR 72 N -1.45 0.34 -0.28 10.12 2.02 -1.16 -4.42 117.35 122.52 2dle s TYR 72 Ca 0.56 -0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2dle s TYR 72 Cb -0.29 -0.25 0.09 0.00 -0.40 0.00 0.00 41.96 41.11 2dle s TYR 72 CO 0.36 -0.27 0.07 -0.80 -1.57 0.00 0.00 175.55 173.33 2dle s ASN 73 N -2.03 3.85 0.08 2.29 0.01 -1.09 -3.59 114.94 114.46 2dle s ASN 73 Ca -0.07 -1.47 -0.07 0.00 -0.71 0.00 0.00 52.86 50.54 2dle s ASN 73 Cb -0.03 -0.89 -0.05 0.00 0.41 0.00 0.00 41.25 40.68 2dle s ASN 73 CO -0.04 -0.37 0.35 -0.63 -1.51 0.00 0.00 177.10 174.90 2dle s ILE 74 N 1.60 5.18 -0.22 0.60 1.01 -1.25 -2.51 121.20 125.60 2dle s ILE 74 Ca 0.06 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.89 2dle s ILE 74 Cb -0.17 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.75 2dle s ILE 74 CO -0.19 0.22 0.10 -0.89 0.00 0.00 0.00 174.94 174.19 2dle s THR 75 N -1.46 -0.05 -0.37 2.92 2.01 -1.11 -3.49 115.64 114.08 2dle s THR 75 Ca 0.34 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.73 2dle s THR 75 Cb -0.13 -0.76 0.01 0.00 0.01 0.00 0.00 72.50 71.63 2dle s THR 75 CO 0.20 -0.46 0.58 -0.69 -0.69 0.00 0.00 174.62 173.56 2dle s VAL 76 N 2.11 4.94 -0.24 3.82 1.01 -0.97 -2.45 120.40 128.62 2dle s VAL 76 Ca 0.05 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.39 2dle s VAL 76 Cb -0.16 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.21 2dle s VAL 76 CO -0.20 -0.34 -0.13 0.00 0.00 0.00 0.00 175.10 174.43 2dle s PRO 78 N 1.16 4.38 -0.22 0.00 0.04 -1.26 -2.19 135.00 136.92 2dle s PRO 78 Ca -0.05 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 2dle s PRO 78 Cb -0.18 -3.03 0.08 0.00 0.04 0.00 0.00 34.50 31.41 2dle s PRO 78 CO -0.07 -0.09 0.13 0.08 0.04 0.00 0.00 177.00 177.09 2dle s VAL 79 N -1.20 -0.14 -0.14 -0.36 1.01 -0.65 -2.63 120.40 116.29 2dle s VAL 79 Ca 0.49 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2dle s VAL 79 Cb -0.36 -0.73 -0.19 0.00 0.00 0.00 0.00 36.38 35.10 2dle s VAL 79 CO 0.47 -0.41 0.50 0.25 0.00 0.00 0.00 175.10 175.91 2dle h LEU 80 N 8.39 0.00 0.00 3.92 7.12 -1.83 -2.52 115.31 130.39 2dle h LEU 80 Ca -0.17 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 57.14 2dle h LEU 80 Cb 1.10 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 2dle h LEU 80 CO 0.34 0.98 0.00 0.61 -0.13 0.00 0.00 178.44 180.23 2dle n GLY 81 N 1.61 -1.33 0.24 3.75 0.00 -1.26 -4.78 105.19 103.42 2dle n GLY 81 Ca -0.12 0.26 0.03 0.00 0.00 0.00 0.00 46.02 46.19 2dle n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dle n ASP 82 N -3.27 0.82 -4.39 1.61 9.92 -1.26 -5.07 116.55 114.92 2dle n ASP 82 Ca 0.00 -2.08 -0.29 0.00 -0.53 0.00 0.00 54.79 51.89 2dle n ASP 82 Cb 0.00 -0.20 -0.13 0.00 -0.64 0.00 0.00 41.12 40.15 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2dle s ILE 83 N -0.84 2.28 -0.46 0.53 1.01 -1.26 -5.10 121.20 117.35 2dle s ILE 83 Ca 0.08 -1.65 0.03 0.00 0.00 0.00 0.00 60.65 59.11 2dle s ILE 83 Cb 0.07 -1.99 0.13 0.00 0.01 0.00 0.00 42.46 40.68 2dle s ILE 83 CO 0.01 0.15 0.24 -1.61 0.00 0.00 0.00 174.94 173.73 2dle s GLU 84 N -1.88 1.54 0.91 2.79 2.02 -1.26 -3.93 118.70 118.89 2dle s GLU 84 Ca 0.14 -2.21 -0.12 0.00 0.02 0.00 0.00 54.97 52.80 2dle s GLU 84 Cb -0.10 -2.72 0.19 0.00 0.10 0.00 0.00 34.13 31.60 2dle s GLU 84 CO 0.05 -1.13 0.43 0.41 0.02 0.00 0.00 175.26 175.04 2dle n GLY 85 N 3.43 -2.23 3.68 -1.39 0.00 -1.08 -4.84 105.19 102.76 2dle n GLY 85 Ca 0.07 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.85 4.08 -0.07 2.61 2.01 0.02 -4.65 115.64 117.78 2dle s THR 86 Ca 0.33 1.40 -0.30 0.00 0.31 0.00 0.00 61.69 63.44 2dle s THR 86 Cb -0.06 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2dle s THR 86 CO 0.28 -0.03 1.51 -2.16 -0.69 0.00 0.00 174.62 173.53 2dle s PRO 87 N 2.57 4.21 -0.31 4.92 0.04 -1.26 -3.13 135.00 142.05 2dle s PRO 87 Ca 0.59 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 63.38 2dle s PRO 87 Cb -0.26 -3.86 0.01 0.00 0.04 0.00 0.00 34.50 30.43 2dle s PRO 87 CO 0.22 -0.77 0.89 0.20 0.04 0.00 0.00 177.00 177.59 2dle s GLY 88 N 2.73 1.65 -0.04 0.56 0.00 -0.14 -4.84 107.32 107.25 2dle s GLY 88 Ca 0.67 -0.29 -0.07 0.00 0.00 0.00 0.00 44.72 45.03 2dle s GLY 88 CO 0.25 1.94 0.23 -1.36 0.00 0.00 0.00 173.10 174.16 2dle s PHE 89 N 3.20 3.60 -0.22 1.90 0.40 -1.26 -2.29 117.98 123.30 2dle s PHE 89 Ca 0.37 0.59 -0.06 0.00 -0.60 0.00 0.00 56.93 57.23 2dle s PHE 89 Cb -0.13 -2.00 0.11 0.00 0.51 0.00 0.00 43.02 41.51 2dle s PHE 89 CO 0.13 0.66 0.44 -1.17 0.70 0.00 0.00 175.22 175.99 2dle s LEU 90 N -1.44 -0.74 0.03 -0.37 2.96 -1.23 -4.99 118.68 112.90 2dle s LEU 90 Ca 0.23 0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 54.70 2dle s LEU 90 Cb -0.13 1.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.96 2dle s LEU 90 CO 0.12 -0.25 1.11 -1.10 -1.32 0.00 0.00 176.35 174.91 2dle s GLN 91 N 2.64 4.47 0.06 1.98 -0.21 -1.26 -3.97 119.66 123.37 2dle s GLN 91 Ca 0.03 1.62 0.06 0.00 0.02 0.00 0.00 55.36 57.09 2dle s GLN 91 Cb -0.13 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.45 2dle s GLN 91 CO -0.15 -0.20 -0.17 0.14 -2.12 0.00 0.00 175.29 172.80 2dle s VAL 92 N 1.15 1.35 -0.28 1.09 -7.23 -1.24 -5.07 120.40 110.17 2dle s VAL 92 Ca 0.56 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.54 2dle s VAL 92 Cb -0.26 -1.22 0.09 0.00 0.56 0.00 0.00 36.38 35.55 2dle s VAL 92 CO 0.28 0.01 0.06 -1.00 -0.31 0.00 0.00 175.10 174.14 2dle s HIS 93 N -0.95 1.73 0.39 2.82 3.76 -1.26 -2.99 115.29 118.79 2dle s HIS 93 Ca 0.03 -1.60 -0.27 0.00 -0.15 0.00 0.00 55.06 53.08 2dle s HIS 93 Cb -0.09 -1.59 -0.11 0.00 1.11 0.00 0.00 32.58 31.90 2dle s HIS 93 CO 0.02 -0.81 1.31 0.25 -0.85 0.00 0.00 174.74 174.66 2dle n THR 94 N 4.84 2.29 -1.17 1.30 -2.24 -1.25 -4.94 114.28 113.12 2dle n THR 94 Ca -0.05 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.95 2dle n THR 94 Cb 0.43 -1.62 0.17 0.00 -2.10 0.00 0.00 70.33 67.21 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 -2.08 0.53 0.12 -0.78 0.04 -1.26 -2.43 135.00 129.14 2dle s PRO 95 Ca 0.58 0.56 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 2dle s PRO 95 Cb -0.52 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 2dle s PRO 95 CO 0.60 -2.68 1.35 -1.25 0.04 0.00 0.00 177.00 175.07 2dle s PRO 96 N -4.96 4.35 0.04 0.56 0.04 -1.26 -2.58 135.00 131.19 2dle s PRO 96 Ca 0.65 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.42 2dle s PRO 96 Cb -0.19 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2dle s PRO 96 CO 0.58 -0.38 1.22 0.54 0.04 0.00 0.00 177.00 179.00 2dle s VAL 97 N 0.91 4.02 0.07 -0.36 0.11 -1.26 -4.98 120.40 118.91 2dle s VAL 97 Ca 0.62 1.44 -0.31 0.00 -2.93 0.00 0.00 61.98 60.80 2dle s VAL 97 Cb -0.36 -3.92 -0.07 0.00 -1.53 0.00 0.00 36.38 30.50 2dle s VAL 97 CO 0.32 0.09 1.39 -2.16 -3.33 0.00 0.00 175.10 171.41 2dle s PRO 98 N 1.33 4.31 -0.02 1.54 0.04 -1.26 -5.03 135.00 135.92 2dle s PRO 98 Ca 0.59 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.68 2dle s PRO 98 Cb -0.29 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.87 2dle s PRO 98 CO 0.28 -0.49 -0.06 -1.12 0.04 0.00 0.00 177.00 175.65 2dle s SER 99 N 1.43 0.84 0.00 6.66 0.01 -1.26 -5.09 113.70 116.28 2dle s SER 99 Ca 0.64 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2dle s SER 99 Cb -0.35 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2dle s SER 99 CO 0.29 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.59 2dle n GLY 100 N 3.25 -0.58 3.51 3.44 0.00 -1.26 -4.98 105.19 108.56 2dle n GLY 100 Ca -0.17 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 2dle n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dle n PRO 101 N 0.00 -3.17 -0.36 1.61 -0.04 -1.26 -4.72 135.00 127.06 2dle n PRO 101 Ca 0.00 -1.75 0.06 0.00 -0.04 0.00 0.00 63.50 61.76 2dle n PRO 101 Cb 0.00 -1.64 0.13 0.00 -0.04 0.00 0.00 33.50 31.95 2dle n PRO 101 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dle h SER 102 N -2.74 -0.96 -0.80 3.54 0.02 -2.05 0.31 113.55 110.87 2dle h SER 102 Ca -0.41 0.30 0.20 0.00 -0.84 0.00 0.00 61.79 61.04 2dle h SER 102 Cb 1.26 0.63 -0.15 0.00 0.14 0.00 0.00 62.40 64.28 2dle h SER 102 CO 0.27 -0.33 -0.04 -1.20 -1.14 0.00 0.00 176.83 174.39 2dle n SER 103 N -5.62 -0.15 0.00 3.07 7.64 -1.26 -5.21 113.62 112.09 2dle n SER 103 Ca 0.16 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.39 2dle n SER 103 Cb 0.49 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2dle n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64