#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dle s SER 2 N 0.00 2.54 0.02 1.61 1.04 -1.26 -5.16 113.70 112.49 2dle s SER 2 Ca 0.00 -1.31 0.07 0.00 0.48 0.00 0.00 55.95 55.19 2dle s SER 2 Cb 0.00 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 2dle s SER 2 CO 0.00 -0.51 -0.20 -0.55 0.98 0.00 0.00 173.24 172.96 2dle s SER 3 N -3.47 2.38 0.00 7.02 0.15 -1.26 -4.99 113.70 113.52 2dle s SER 3 Ca 0.34 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2dle s SER 3 Cb 0.07 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2dle s SER 3 CO 0.14 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.38 2dle n GLY 4 N 2.16 0.35 1.72 9.45 0.00 -1.26 -4.70 105.19 112.92 2dle n GLY 4 Ca -0.16 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.54 2dle n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dle n SER 5 N 0.00 5.96 -4.50 1.61 3.41 -1.26 -4.84 113.62 114.00 2dle n SER 5 Ca 0.00 -2.77 -0.40 0.00 -0.26 0.00 0.00 58.87 55.44 2dle n SER 5 Cb 0.00 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 62.75 2dle n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dle s SER 6 N 0.98 5.94 -0.07 4.04 0.15 -1.26 -5.08 113.70 118.41 2dle s SER 6 Ca 0.17 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 2dle s SER 6 Cb 0.13 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 2dle s SER 6 CO -0.00 -0.24 -0.02 -0.83 1.20 0.00 0.00 173.24 173.35 2dle s GLY 7 N 1.69 1.80 -0.45 9.45 0.00 -1.26 -4.96 107.32 113.60 2dle s GLY 7 Ca 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.94 2dle s GLY 7 CO 0.09 -0.63 0.20 0.00 0.00 0.00 0.00 173.10 172.77 2dle s ALA 8 N -0.88 3.17 -0.01 3.20 0.00 -1.26 -5.08 121.76 120.90 2dle s ALA 8 Ca 0.14 -2.84 -0.40 0.00 0.00 0.00 0.00 51.96 48.86 2dle s ALA 8 Cb -0.11 -2.23 -0.19 0.00 0.00 0.00 0.00 23.12 20.59 2dle s ALA 8 CO 0.03 -1.86 1.14 -0.89 0.00 0.00 0.00 175.76 174.18 2dle n ILE 9 N 3.91 0.00 -3.71 0.00 5.41 -1.26 -4.82 119.36 118.89 2dle n ILE 9 Ca 0.03 -0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.63 2dle n ILE 9 Cb 0.39 -0.17 -0.15 0.00 -0.71 0.00 0.00 39.64 38.99 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 0.23 0.05 -0.38 0.38 0.74 -1.26 -1.92 119.66 117.49 2dle s GLN 10 Ca 0.90 0.44 -0.21 0.00 0.05 0.00 0.00 55.36 56.55 2dle s GLN 10 Cb -1.22 -0.25 0.01 0.00 1.10 0.00 0.00 33.01 32.65 2dle s GLN 10 CO 0.56 -0.24 0.64 0.08 -0.55 0.00 0.00 175.29 175.79 2dle s VAL 11 N 1.69 4.86 0.36 1.34 1.01 -1.22 -3.65 120.40 124.79 2dle s VAL 11 Ca -0.03 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2dle s VAL 11 Cb -0.12 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 2dle s VAL 11 CO -0.05 -0.41 0.05 0.72 0.00 0.00 0.00 175.10 175.40 2dle s PHE 12 N 2.76 2.08 -0.60 5.22 -0.71 -0.73 -4.26 117.98 121.73 2dle s PHE 12 Ca 0.24 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 2dle s PHE 12 Cb -0.14 -1.40 0.00 0.00 -1.21 0.00 0.00 43.02 40.27 2dle s PHE 12 CO 0.16 0.10 0.00 -3.47 -1.34 0.00 0.00 175.22 170.67 2dle n ASP 13 N -0.81 -2.95 -4.67 1.98 2.03 -1.26 0.14 116.55 111.00 2dle n ASP 13 Ca -0.04 0.05 -0.42 0.00 0.52 0.00 0.00 54.79 54.90 2dle n ASP 13 Cb 0.67 -1.88 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 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 -2.30 3.57 0.06 5.18 1.01 -1.26 -4.23 120.40 122.43 2dle s VAL 14 Ca 0.00 0.81 -0.18 0.00 0.00 0.00 0.00 61.98 62.61 2dle s VAL 14 Cb 0.00 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.89 2dle s VAL 14 CO 0.00 -0.05 0.41 -0.89 0.00 0.00 0.00 175.10 174.57 2dle s THR 15 N 3.42 0.06 -0.73 3.92 2.01 -0.07 -4.94 115.64 119.30 2dle s THR 15 Ca 0.70 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 2dle s THR 15 Cb -0.33 -0.98 0.16 0.00 0.01 0.00 0.00 72.50 71.35 2dle s THR 15 CO 0.28 -0.26 0.76 0.00 -0.69 0.00 0.00 174.62 174.71 2dle s ALA 16 N -2.67 3.71 0.29 7.40 0.00 -1.26 -1.15 121.76 128.09 2dle s ALA 16 Ca -0.04 -2.81 0.03 0.00 0.00 0.00 0.00 51.96 49.14 2dle s ALA 16 Cb -0.00 -3.57 0.73 0.00 0.00 0.00 0.00 23.12 20.28 2dle s ALA 16 CO -0.04 -2.37 1.67 -0.39 0.00 0.00 0.00 175.76 174.63 2dle h VAL 17 N 5.45 0.38 -3.57 0.00 -1.51 -1.82 -3.40 116.25 111.77 2dle h VAL 17 Ca -0.06 -0.10 -0.23 0.00 -1.23 0.00 0.00 66.70 65.08 2dle h VAL 17 Cb 1.06 0.07 -0.29 0.00 -2.13 0.00 0.00 31.29 30.00 2dle h VAL 17 CO 0.95 0.05 -0.66 0.21 -1.23 0.00 0.00 177.57 176.89 2dle s ASN 18 N -5.11 -0.04 -0.24 4.19 3.84 -1.24 -5.00 114.94 111.34 2dle s ASN 18 Ca -0.12 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.06 2dle s ASN 18 Cb 0.26 0.09 0.06 0.00 -0.55 0.00 0.00 41.25 41.11 2dle s ASN 18 CO 0.77 -0.04 -0.03 -0.63 -2.79 0.00 0.00 177.10 174.38 2dle s ILE 19 N 0.25 1.38 0.29 -5.21 1.01 -1.26 -0.57 121.20 117.09 2dle s ILE 19 Ca -0.02 -1.17 0.04 0.00 0.00 0.00 0.00 60.65 59.50 2dle s ILE 19 Cb -0.03 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.77 2dle s ILE 19 CO -0.01 -0.16 0.36 -0.24 0.00 0.00 0.00 174.94 174.89 2dle n SER 20 N 4.72 1.26 0.07 3.58 2.88 0.32 -4.78 113.62 121.67 2dle n SER 20 Ca -0.11 -1.82 -0.11 0.00 -1.33 0.00 0.00 58.87 55.50 2dle n SER 20 Cb 0.44 -0.17 -0.13 0.00 -0.75 0.00 0.00 64.21 63.60 2dle n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dle h ALA 21 N 0.40 0.27 0.00 -1.46 0.00 -1.92 -3.37 119.26 113.18 2dle h ALA 21 Ca -0.15 -0.95 -0.08 0.00 0.00 0.00 0.00 54.91 53.74 2dle h ALA 21 Cb 0.63 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.23 2dle h ALA 21 CO 0.21 1.16 -0.67 0.25 0.00 0.00 0.00 179.25 180.20 2dle n THR 22 N -3.41 0.78 -3.65 0.00 -2.24 -1.26 -3.53 114.28 100.97 2dle n THR 22 Ca -0.05 -1.51 -0.05 0.00 -2.27 0.00 0.00 64.05 60.17 2dle n THR 22 Cb 0.99 0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.21 -0.18 -0.13 3.42 1.04 -1.25 -1.67 113.70 112.71 2dle s SER 23 Ca 0.28 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 2dle s SER 23 Cb 0.29 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.85 2dle s SER 23 CO -0.09 -0.06 0.35 -1.48 0.98 0.00 0.00 173.24 172.94 2dle s LEU 24 N 0.16 0.61 -0.15 2.42 0.05 -1.19 0.12 118.68 120.70 2dle s LEU 24 Ca 0.05 0.71 -0.13 0.00 0.05 0.00 0.00 54.13 54.81 2dle s LEU 24 Cb -0.05 1.19 -0.05 0.00 -2.05 0.00 0.00 46.19 45.24 2dle s LEU 24 CO -0.13 -0.13 0.27 -0.89 -0.55 0.00 0.00 176.35 174.92 2dle s THR 25 N 0.30 5.32 -0.12 5.48 2.01 0.27 -1.19 115.64 127.71 2dle s THR 25 Ca -0.01 0.49 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 2dle s THR 25 Cb -0.03 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2dle s THR 25 CO -0.01 0.43 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.03 2dle s LEU 26 N 0.22 2.93 0.04 4.42 1.98 -1.00 -2.34 118.68 124.93 2dle s LEU 26 Ca 0.16 -0.21 0.03 0.00 -2.89 0.00 0.00 54.13 51.22 2dle s LEU 26 Cb -0.13 -1.66 -0.02 0.00 0.66 0.00 0.00 46.19 45.04 2dle s LEU 26 CO 0.04 0.22 -0.10 0.27 -1.89 0.00 0.00 176.35 174.89 2dle s ILE 27 N 0.01 0.75 0.14 6.68 -4.36 -0.30 -2.07 121.20 122.06 2dle s ILE 27 Ca -0.02 -0.98 -0.12 0.00 -0.26 0.00 0.00 60.65 59.27 2dle s ILE 27 Cb -0.14 -0.74 0.01 0.00 1.25 0.00 0.00 42.46 42.84 2dle s ILE 27 CO 0.04 -0.20 0.33 -1.66 0.24 0.00 0.00 174.94 173.69 2dle s TRP 28 N -1.06 0.12 -0.12 1.37 -2.14 -1.14 -0.90 118.94 115.07 2dle s TRP 28 Ca -0.04 -0.48 -0.00 0.00 2.66 0.00 0.00 56.10 58.23 2dle s TRP 28 Cb -0.08 0.10 -0.02 0.00 -3.10 0.00 0.00 33.47 30.36 2dle s TRP 28 CO 0.01 -0.71 -0.12 0.21 -2.66 0.00 0.00 176.95 173.68 2dle s LYS 29 N -3.89 3.29 0.04 3.25 2.20 0.12 -4.91 119.74 119.84 2dle s LYS 29 Ca 0.10 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 2dle s LYS 29 Cb 0.03 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.66 2dle s LYS 29 CO -0.06 0.29 0.27 0.08 -0.36 0.00 0.00 175.35 175.58 2dle s VAL 30 N 0.16 5.30 -0.83 4.02 1.01 -1.26 -1.78 120.40 127.03 2dle s VAL 30 Ca -0.06 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 2dle s VAL 30 Cb -0.15 -3.59 -0.17 0.00 0.00 0.00 0.00 36.38 32.48 2dle s VAL 30 CO 0.04 0.26 2.35 -1.54 0.00 0.00 0.00 175.10 176.21 2dle n SER 31 N 0.76 1.38 -3.81 3.32 3.41 -1.24 -3.56 113.62 113.88 2dle n SER 31 Ca -0.08 -1.49 -0.23 0.00 -0.26 0.00 0.00 58.87 56.80 2dle n SER 31 Cb 0.52 -1.54 -0.06 0.00 -0.26 0.00 0.00 64.21 62.87 2dle n SER 31 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2dle n ASP 32 N 17.38 0.31 -4.52 4.04 5.68 -1.26 -4.54 116.55 133.64 2dle n ASP 32 Ca 0.48 -0.91 -0.33 0.00 -0.50 0.00 0.00 54.79 53.53 2dle n ASP 32 Cb 0.40 -1.13 -0.13 0.00 -1.14 0.00 0.00 41.12 39.13 2dle n ASP 32 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2dle n ASN 33 N -1.89 0.59 0.01 -1.12 6.94 -1.23 -4.72 115.26 113.84 2dle n ASN 33 Ca -0.22 -0.33 -0.20 0.00 -0.02 0.00 0.00 54.58 53.80 2dle n ASN 33 Cb 0.49 -1.09 -0.14 0.00 -2.36 0.00 0.00 39.78 36.68 2dle n ASN 33 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2dle h GLU 34 N 13.74 0.26 -1.39 -3.83 4.57 -1.97 -3.36 114.58 122.60 2dle h GLU 34 Ca -0.07 -0.45 -0.64 0.00 -1.18 0.00 0.00 59.36 57.02 2dle h GLU 34 Cb 1.23 0.17 -0.26 0.00 -0.16 0.00 0.00 28.75 29.73 2dle h GLU 34 CO 1.34 1.16 0.83 0.45 -1.18 0.00 0.00 179.01 181.61 2dle n SER 35 N -3.46 7.42 -1.96 1.04 2.88 -1.26 -4.76 113.62 113.52 2dle n SER 35 Ca -0.29 -3.66 -0.10 0.00 -1.33 0.00 0.00 58.87 53.49 2dle n SER 35 Cb 1.05 -1.03 -0.14 0.00 -0.75 0.00 0.00 64.21 63.34 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 -0.53 5.06 0.08 -3.46 3.41 -1.26 -4.22 113.62 112.70 2dle n SER 36 Ca 0.55 -2.43 -0.23 0.00 -0.26 0.00 0.00 58.87 56.50 2dle n SER 36 Cb 0.54 -1.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.00 2dle n SER 36 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dle h SER 37 N 2.88 0.63 -0.01 4.04 0.02 -1.96 -3.39 113.55 115.76 2dle h SER 37 Ca 0.16 -0.92 -0.12 0.00 -0.84 0.00 0.00 61.79 60.07 2dle h SER 37 Cb 1.40 -0.21 -0.25 0.00 0.14 0.00 0.00 62.40 63.48 2dle h SER 37 CO 0.21 1.77 -0.85 0.59 -1.14 0.00 0.00 176.83 177.41 2dle n ASN 38 N -3.60 1.29 -4.77 3.07 4.13 -1.26 -5.09 115.26 109.03 2dle n ASN 38 Ca -0.24 -2.68 -0.39 0.00 1.68 0.00 0.00 54.58 52.96 2dle n ASN 38 Cb 1.08 -0.38 -0.01 0.00 -1.54 0.00 0.00 39.78 38.93 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 -1.21 2.87 0.23 3.10 1.51 -1.26 -4.58 117.35 118.01 2dle s TYR 39 Ca 0.35 1.48 0.05 0.00 -1.01 0.00 0.00 57.07 57.94 2dle s TYR 39 Cb 0.38 -3.54 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 2dle s TYR 39 CO -0.13 -1.79 -0.05 0.99 -1.11 0.00 0.00 175.55 173.45 2dle s THR 40 N -1.36 1.34 -0.09 -0.71 2.01 0.33 -4.58 115.64 112.58 2dle s THR 40 Ca 0.59 -2.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.47 2dle s THR 40 Cb -0.34 -2.26 0.05 0.00 0.01 0.00 0.00 72.50 69.96 2dle s THR 40 CO 0.43 -0.42 0.16 -0.31 -0.69 0.00 0.00 174.62 173.79 2dle s TYR 41 N -3.21 -0.16 -0.37 4.92 2.02 0.11 -1.24 117.35 119.42 2dle s TYR 41 Ca 0.26 0.52 -0.12 0.00 -0.37 0.00 0.00 57.07 57.36 2dle s TYR 41 Cb 0.04 -0.30 0.02 0.00 -0.40 0.00 0.00 41.96 41.31 2dle s TYR 41 CO 0.08 -0.30 0.23 0.15 -1.57 0.00 0.00 175.55 174.14 2dle s LYS 42 N 2.28 2.98 -0.60 -0.62 1.02 -0.95 -1.87 119.74 121.99 2dle s LYS 42 Ca 0.03 -0.99 -0.16 0.00 0.02 0.00 0.00 55.97 54.88 2dle s LYS 42 Cb -0.12 -3.79 0.14 0.00 -0.52 0.00 0.00 37.83 33.53 2dle s LYS 42 CO -0.06 -0.66 0.58 0.42 -0.92 0.00 0.00 175.35 174.70 2dle s ILE 43 N 1.61 5.21 -0.58 2.17 1.09 0.26 -1.87 121.20 129.10 2dle s ILE 43 Ca 0.03 -1.57 -0.25 0.00 -1.10 0.00 0.00 60.65 57.77 2dle s ILE 43 Cb -0.19 -4.39 0.04 0.00 -1.06 0.00 0.00 42.46 36.87 2dle s ILE 43 CO 0.08 -0.94 0.99 -2.28 -0.10 0.00 0.00 174.94 172.69 2dle s HIS 44 N 1.57 2.73 -0.05 3.97 2.46 -0.77 0.52 115.29 125.71 2dle s HIS 44 Ca 0.07 -0.03 -0.20 0.00 0.47 0.00 0.00 55.06 55.37 2dle s HIS 44 Cb -0.26 -4.18 -0.05 0.00 -0.13 0.00 0.00 32.58 27.96 2dle s HIS 44 CO 0.02 -1.45 0.57 0.08 -2.47 0.00 0.00 174.74 171.48 2dle s VAL 45 N 4.17 5.02 -0.21 0.89 1.01 0.13 -3.07 120.40 128.35 2dle s VAL 45 Ca 0.31 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.46 2dle s VAL 45 Cb -0.12 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.41 2dle s VAL 45 CO 0.19 0.37 -0.07 0.00 0.00 0.00 0.00 175.10 175.59 2dle s ALA 46 N 0.17 1.86 0.00 5.51 0.00 -0.91 -0.54 121.76 127.86 2dle s ALA 46 Ca 0.30 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2dle s ALA 46 Cb -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2dle s ALA 46 CO 0.15 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2dle n GLY 47 N 4.72 0.48 1.25 0.00 0.00 -1.13 -1.69 105.19 108.83 2dle n GLY 47 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2dle n GLY 47 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dle n GLU 48 N 0.00 0.00 0.02 1.61 -0.58 -1.26 -4.86 120.64 115.58 2dle n GLU 48 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2dle n GLU 48 Cb 0.00 -0.38 -0.09 0.00 -0.57 0.00 0.00 31.44 30.40 2dle n GLU 48 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2dle h THR 49 N 0.00 1.14 -4.51 2.62 1.35 -1.99 -3.48 112.91 108.04 2dle h THR 49 Ca 0.00 -1.20 -0.39 0.00 -0.55 0.00 0.00 66.41 64.27 2dle h THR 49 Cb 0.51 1.86 -0.10 0.00 -1.73 0.00 0.00 68.15 68.70 2dle h THR 49 CO 0.00 0.28 -0.32 1.51 -0.25 0.00 0.00 175.52 176.74 2dle s ASP 50 N -5.59 1.39 0.14 5.36 1.47 -1.26 -5.18 116.67 112.99 2dle s ASP 50 Ca -0.15 -1.66 0.05 0.00 1.18 0.00 0.00 52.55 51.98 2dle s ASP 50 Cb 0.01 0.63 -0.04 0.00 -0.34 0.00 0.00 42.92 43.18 2dle s ASP 50 CO 0.58 -1.22 -0.12 -0.94 0.68 0.00 0.00 175.17 174.15 2dle s SER 51 N -3.32 1.94 0.20 2.11 1.04 -1.26 -2.82 113.70 111.59 2dle s SER 51 Ca 0.36 -0.90 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 2dle s SER 51 Cb 0.01 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2dle s SER 51 CO 0.25 -0.22 0.10 -0.44 0.98 0.00 0.00 173.24 173.91 2dle s SER 52 N -2.77 0.59 -0.01 7.02 0.01 0.30 -5.02 113.70 113.83 2dle s SER 52 Ca 0.12 -1.34 0.03 0.00 1.31 0.00 0.00 55.95 56.07 2dle s SER 52 Cb -0.02 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.48 2dle s SER 52 CO 0.02 -0.76 -0.09 0.54 0.41 0.00 0.00 173.24 173.36 2dle s ASN 53 N -3.19 1.13 -0.11 2.44 4.22 -1.26 0.18 114.94 118.35 2dle s ASN 53 Ca 0.35 -0.17 -0.02 0.00 -2.14 0.00 0.00 52.86 50.87 2dle s ASN 53 Cb 0.07 -0.19 -0.03 0.00 1.28 0.00 0.00 41.25 42.38 2dle s ASN 53 CO 0.10 0.10 -0.03 -0.22 -2.04 0.00 0.00 177.10 175.01 2dle s LEU 54 N -0.08 3.36 -0.30 3.54 2.96 0.18 -4.93 118.68 123.42 2dle s LEU 54 Ca 0.01 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 2dle s LEU 54 Cb -0.05 -1.78 0.08 0.00 0.50 0.00 0.00 46.19 44.94 2dle s LEU 54 CO -0.00 0.29 -0.02 0.20 -1.32 0.00 0.00 176.35 175.49 2dle s ASN 55 N -0.36 4.65 0.24 3.68 0.01 -1.26 -0.57 114.94 121.33 2dle s ASN 55 Ca 0.06 -1.70 0.01 0.00 -0.71 0.00 0.00 52.86 50.53 2dle s ASN 55 Cb -0.12 -1.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.88 2dle s ASN 55 CO 0.02 -0.29 0.07 0.68 -1.51 0.00 0.00 177.10 176.08 2dle s VAL 56 N 1.05 0.60 -0.29 1.60 -7.23 -0.78 -5.01 120.40 110.33 2dle s VAL 56 Ca -0.00 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2dle s VAL 56 Cb -0.20 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.15 2dle s VAL 56 CO -0.06 -0.11 0.26 -1.54 -0.31 0.00 0.00 175.10 173.35 2dle n SER 57 N -0.42 0.43 -4.94 4.85 3.41 -1.26 0.10 113.62 115.79 2dle n SER 57 Ca -0.01 -0.62 -0.25 0.00 -0.26 0.00 0.00 58.87 57.73 2dle n SER 57 Cb 0.66 1.01 -0.02 0.00 -0.26 0.00 0.00 64.21 65.60 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 -1.63 3.50 0.00 4.33 1.03 -1.26 -4.58 118.70 120.09 2dle s GLU 58 Ca 0.02 -0.39 0.10 0.00 0.03 0.00 0.00 54.97 54.72 2dle s GLU 58 Cb 0.05 -2.76 0.57 0.00 -0.80 0.00 0.00 34.13 31.19 2dle s GLU 58 CO 0.26 0.29 1.01 -0.35 -1.33 0.00 0.00 175.26 175.14 2dle n PRO 59 N -1.30 0.49 -4.21 -4.83 -0.04 -1.26 -4.69 135.00 119.15 2dle n PRO 59 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 2dle n PRO 59 Cb 0.55 -1.31 -0.12 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 0.94 -0.30 0.54 1.70 -1.26 -2.88 118.95 115.69 2dle s ARG 60 Ca 0.14 -1.12 -0.12 0.00 -0.47 0.00 0.00 55.73 54.17 2dle s ARG 60 Cb 0.07 -0.90 0.15 0.00 -0.57 0.00 0.00 34.95 33.70 2dle s ARG 60 CO 0.11 0.19 0.81 0.00 -1.08 0.00 0.00 175.30 175.33 2dle s ALA 61 N -1.73 -2.42 0.20 7.88 0.00 -0.88 -4.90 121.76 119.92 2dle s ALA 61 Ca 0.04 2.14 -0.09 0.00 0.00 0.00 0.00 51.96 54.05 2dle s ALA 61 Cb -0.07 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 21.02 2dle s ALA 61 CO 0.03 -1.00 0.52 0.08 0.00 0.00 0.00 175.76 175.39 2dle s VAL 62 N 2.70 4.97 -0.41 0.00 1.01 -1.26 -2.36 120.40 125.05 2dle s VAL 62 Ca -0.02 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 2dle s VAL 62 Cb -0.10 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.77 2dle s VAL 62 CO -0.18 -0.01 0.20 -0.63 0.00 0.00 0.00 175.10 174.48 2dle s ILE 63 N -1.74 3.18 1.15 2.22 -1.09 -0.33 -4.95 121.20 119.64 2dle s ILE 63 Ca 0.45 -2.16 -0.17 0.00 -2.23 0.00 0.00 60.65 56.54 2dle s ILE 63 Cb -0.12 -3.19 0.26 0.00 -1.58 0.00 0.00 42.46 37.84 2dle s ILE 63 CO 0.21 -0.69 1.11 -2.16 -1.23 0.00 0.00 174.94 172.18 2dle s PRO 64 N 1.03 -0.84 -0.74 2.79 0.04 -1.26 -3.17 135.00 132.85 2dle s PRO 64 Ca 0.09 0.07 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 2dle s PRO 64 Cb -0.22 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2dle s PRO 64 CO -0.05 -3.48 0.45 0.41 0.04 0.00 0.00 177.00 174.37 2dle n GLY 65 N -0.98 -0.73 3.95 0.56 0.00 -0.67 -4.79 105.19 102.52 2dle n GLY 65 Ca 0.11 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 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 -5.64 4.33 -0.03 0.99 1.43 -1.15 -4.98 118.68 113.62 2dle s LEU 66 Ca 0.20 0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 53.26 2dle s LEU 66 Cb -0.11 -2.89 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 2dle s LEU 66 CO 0.66 0.03 0.55 -0.60 0.23 0.00 0.00 176.35 177.22 2dle s ARG 67 N -3.38 4.28 0.30 1.70 3.52 -1.26 -4.11 118.95 120.00 2dle s ARG 67 Ca 0.34 0.63 -0.09 0.00 -0.13 0.00 0.00 55.73 56.48 2dle s ARG 67 Cb -0.11 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 29.86 2dle s ARG 67 CO 0.29 0.35 0.62 -1.12 -0.81 0.00 0.00 175.30 174.62 2dle s SER 68 N -0.06 6.57 -1.33 -2.12 0.01 -1.23 -4.25 113.70 111.29 2dle s SER 68 Ca 0.29 0.95 -0.03 0.00 1.31 0.00 0.00 55.95 58.48 2dle s SER 68 Cb -0.17 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.83 2dle s SER 68 CO 0.15 -0.19 0.81 -0.24 0.41 0.00 0.00 173.24 174.17 2dle n SER 69 N -0.64 -2.09 -3.76 2.44 2.88 -1.14 -4.90 113.62 106.41 2dle n SER 69 Ca 0.01 -0.77 -0.13 0.00 -1.33 0.00 0.00 58.87 56.65 2dle n SER 69 Cb 0.53 -4.24 -0.10 0.00 -0.75 0.00 0.00 64.21 59.65 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 -3.55 0.02 0.42 2.46 2.01 -1.26 -5.02 115.64 110.72 2dle s THR 70 Ca 0.13 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 61.75 2dle s THR 70 Cb -0.06 -0.52 -0.08 0.00 0.01 0.00 0.00 72.50 71.85 2dle s THR 70 CO 0.80 -0.08 1.12 0.12 -0.69 0.00 0.00 174.62 175.89 2dle s PHE 71 N -0.26 3.07 -0.01 4.92 5.36 -1.26 -3.76 117.98 126.04 2dle s PHE 71 Ca -0.04 1.58 -0.02 0.00 -0.96 0.00 0.00 56.93 57.50 2dle s PHE 71 Cb -0.03 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 2dle s PHE 71 CO 0.02 -1.10 0.05 0.71 -1.46 0.00 0.00 175.22 173.43 2dle s TYR 72 N -1.57 -0.00 -0.32 10.12 2.02 -1.15 -4.60 117.35 121.85 2dle s TYR 72 Ca 0.60 0.02 0.03 0.00 -0.37 0.00 0.00 57.07 57.34 2dle s TYR 72 Cb -0.26 -0.02 0.09 0.00 -0.40 0.00 0.00 41.96 41.37 2dle s TYR 72 CO 0.32 -0.07 0.01 -0.80 -1.57 0.00 0.00 175.55 173.44 2dle s ASN 73 N -0.30 4.70 0.22 2.29 0.01 -0.68 -3.13 114.94 118.05 2dle s ASN 73 Ca -0.04 -1.87 -0.03 0.00 -0.71 0.00 0.00 52.86 50.22 2dle s ASN 73 Cb -0.02 -1.62 -0.05 0.00 0.41 0.00 0.00 41.25 39.97 2dle s ASN 73 CO 0.00 -0.32 0.45 -0.63 -1.51 0.00 0.00 177.10 175.09 2dle s ILE 74 N 1.00 5.12 -0.24 0.60 1.01 -1.21 -2.13 121.20 125.35 2dle s ILE 74 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 2dle s ILE 74 Cb -0.20 -3.71 0.13 0.00 0.01 0.00 0.00 42.46 38.69 2dle s ILE 74 CO -0.06 -0.18 0.40 -0.89 0.00 0.00 0.00 174.94 174.20 2dle s THR 75 N -1.91 -0.63 -0.60 2.92 2.01 -1.17 -2.68 115.64 113.57 2dle s THR 75 Ca 0.41 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 62.24 2dle s THR 75 Cb -0.11 -0.79 0.14 0.00 0.01 0.00 0.00 72.50 71.75 2dle s THR 75 CO 0.28 -0.07 0.57 -0.69 -0.69 0.00 0.00 174.62 174.02 2dle s VAL 76 N 2.58 5.23 -0.32 3.82 1.01 0.50 -1.85 120.40 131.36 2dle s VAL 76 Ca 0.10 -1.60 -0.17 0.00 0.00 0.00 0.00 61.98 60.31 2dle s VAL 76 Cb -0.15 -4.38 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2dle s VAL 76 CO -0.15 -0.93 0.47 0.00 0.00 0.00 0.00 175.10 174.49 2dle s PRO 78 N 2.29 4.38 -0.19 0.00 0.04 -1.26 -2.24 135.00 138.01 2dle s PRO 78 Ca 0.18 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.21 2dle s PRO 78 Cb -0.16 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.24 2dle s PRO 78 CO 0.12 -0.28 0.10 0.08 0.04 0.00 0.00 177.00 177.06 2dle s VAL 79 N 0.30 -0.10 0.07 -0.36 1.01 -0.38 -2.19 120.40 118.76 2dle s VAL 79 Ca 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 2dle s VAL 79 Cb -0.36 -0.64 -0.27 0.00 0.00 0.00 0.00 36.38 35.11 2dle s VAL 79 CO 0.37 -0.35 1.13 0.25 0.00 0.00 0.00 175.10 176.49 2dle h LEU 80 N 8.41 0.32 0.00 3.92 5.85 -1.82 0.94 115.31 132.93 2dle h LEU 80 Ca -0.16 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2dle h LEU 80 Cb 1.13 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.05 2dle h LEU 80 CO 0.31 1.28 0.00 0.61 -0.34 0.00 0.00 178.44 180.31 2dle n GLY 81 N 1.51 -1.63 0.00 3.75 0.00 -1.26 -4.36 105.19 103.19 2dle n GLY 81 Ca -0.08 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2dle n GLY 81 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dle n ASP 82 N -2.85 0.31 -4.90 1.61 5.75 -1.26 -5.06 116.55 110.15 2dle n ASP 82 Ca 0.00 -0.31 -0.30 0.00 -0.01 0.00 0.00 54.79 54.17 2dle n ASP 82 Cb 0.00 0.69 -0.04 0.00 -1.03 0.00 0.00 41.12 40.74 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2dle s ILE 83 N -0.75 5.10 -0.40 2.12 1.09 -1.26 -5.08 121.20 122.02 2dle s ILE 83 Ca 0.00 0.03 0.02 0.00 -1.10 0.00 0.00 60.65 59.61 2dle s ILE 83 Cb 0.00 -3.67 0.12 0.00 -1.06 0.00 0.00 42.46 37.85 2dle s ILE 83 CO 0.00 -0.11 0.17 -1.61 -0.10 0.00 0.00 174.94 173.28 2dle s GLU 84 N -3.04 1.29 0.06 2.79 2.02 -1.26 -3.93 118.70 116.62 2dle s GLU 84 Ca 0.42 -1.84 -0.01 0.00 0.02 0.00 0.00 54.97 53.56 2dle s GLU 84 Cb -0.11 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.55 2dle s GLU 84 CO 0.26 -1.06 0.04 0.41 0.02 0.00 0.00 175.26 174.93 2dle n GLY 85 N 3.96 -3.52 3.69 -1.39 0.00 -0.93 -4.90 105.19 102.09 2dle n GLY 85 Ca 0.04 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.05 4.19 -0.07 2.61 2.01 -0.81 -4.63 115.64 117.89 2dle s THR 86 Ca 0.03 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 2dle s THR 86 Cb -0.00 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2dle s THR 86 CO 0.02 -0.01 1.51 -2.16 -0.69 0.00 0.00 174.62 173.29 2dle s PRO 87 N 2.31 4.21 -0.33 4.92 0.04 -1.26 -3.42 135.00 141.47 2dle s PRO 87 Ca 0.57 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 2dle s PRO 87 Cb -0.25 -3.86 0.02 0.00 0.04 0.00 0.00 34.50 30.45 2dle s PRO 87 CO 0.22 -0.77 1.03 0.20 0.04 0.00 0.00 177.00 177.72 2dle s GLY 88 N 2.73 1.57 0.01 0.56 0.00 -0.23 -4.82 107.32 107.15 2dle s GLY 88 Ca 0.67 -0.15 -0.07 0.00 0.00 0.00 0.00 44.72 45.18 2dle s GLY 88 CO 0.25 2.19 0.28 -1.36 0.00 0.00 0.00 173.10 174.45 2dle s PHE 89 N 3.57 3.58 -0.28 1.90 0.40 -1.26 -0.37 117.98 125.52 2dle s PHE 89 Ca 0.43 0.58 -0.03 0.00 -0.60 0.00 0.00 56.93 57.31 2dle s PHE 89 Cb -0.12 -2.00 0.16 0.00 0.51 0.00 0.00 43.02 41.57 2dle s PHE 89 CO 0.16 0.61 0.53 -1.17 0.70 0.00 0.00 175.22 176.04 2dle s LEU 90 N -1.78 -1.08 0.28 -0.37 2.96 -1.09 -4.93 118.68 112.66 2dle s LEU 90 Ca 0.28 0.79 -0.28 0.00 -0.22 0.00 0.00 54.13 54.70 2dle s LEU 90 Cb -0.13 1.82 -0.09 0.00 0.50 0.00 0.00 46.19 48.28 2dle s LEU 90 CO 0.16 -0.26 0.96 -1.10 -1.32 0.00 0.00 176.35 174.79 2dle s GLN 91 N 2.75 4.72 0.02 1.98 1.11 -1.26 -3.34 119.66 125.64 2dle s GLN 91 Ca 0.13 1.47 0.01 0.00 0.01 0.00 0.00 55.36 56.98 2dle s GLN 91 Cb -0.14 -3.09 -0.01 0.00 -1.01 0.00 0.00 33.01 28.75 2dle s GLN 91 CO -0.19 0.39 -0.03 0.14 0.01 0.00 0.00 175.29 175.61 2dle s VAL 92 N -1.33 0.19 -0.33 1.09 -7.23 -1.18 -5.04 120.40 106.57 2dle s VAL 92 Ca 0.45 -0.66 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 2dle s VAL 92 Cb -0.24 -0.27 0.10 0.00 0.56 0.00 0.00 36.38 36.53 2dle s VAL 92 CO 0.30 -0.30 0.05 -2.28 -0.31 0.00 0.00 175.10 172.56 2dle s HIS 93 N -0.97 3.23 0.40 2.82 2.46 -1.26 -2.95 115.29 119.01 2dle s HIS 93 Ca -0.09 -2.66 -0.26 0.00 0.47 0.00 0.00 55.06 52.52 2dle s HIS 93 Cb -0.07 -2.58 -0.11 0.00 -0.13 0.00 0.00 32.58 29.69 2dle s HIS 93 CO -0.00 -0.93 1.15 0.25 -2.47 0.00 0.00 174.74 172.74 2dle n THR 94 N 4.41 2.39 -2.15 0.89 -2.24 -1.25 -4.95 114.28 111.39 2dle n THR 94 Ca 0.02 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 2dle n THR 94 Cb 0.42 -1.36 0.01 0.00 -2.10 0.00 0.00 70.33 67.30 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 -2.03 3.23 -0.04 -0.78 0.04 -1.26 -2.90 135.00 131.26 2dle s PRO 95 Ca 0.61 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.91 2dle s PRO 95 Cb -0.55 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 2dle s PRO 95 CO 0.58 -0.94 1.48 -1.25 0.04 0.00 0.00 177.00 176.92 2dle s PRO 96 N -3.47 4.23 0.15 0.56 0.04 -1.26 -3.23 135.00 132.03 2dle s PRO 96 Ca 0.71 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.53 2dle s PRO 96 Cb -0.23 -3.74 -0.15 0.00 0.04 0.00 0.00 34.50 30.42 2dle s PRO 96 CO 0.30 -0.70 0.49 0.28 0.04 0.00 0.00 177.00 177.41 2dle n VAL 97 N 5.05 1.51 -2.23 -0.36 0.31 -1.26 -4.83 118.33 116.52 2dle n VAL 97 Ca 0.15 -0.38 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 2dle n VAL 97 Cb 0.43 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 2dle n VAL 97 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2dle s PRO 98 N -0.75 4.39 -0.59 5.55 0.04 -1.26 -4.98 135.00 137.40 2dle s PRO 98 Ca 0.56 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.41 2dle s PRO 98 Cb -0.81 -3.20 0.05 0.00 0.04 0.00 0.00 34.50 30.58 2dle s PRO 98 CO 0.47 -0.25 0.93 -1.54 0.04 0.00 0.00 177.00 176.65 2dle s SER 99 N 0.36 6.27 0.57 6.66 1.04 -1.26 -5.03 113.70 122.30 2dle s SER 99 Ca 0.57 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 2dle s SER 99 Cb -0.36 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 2dle s SER 99 CO 0.38 -1.29 1.03 -0.83 0.98 0.00 0.00 173.24 173.50 2dle s GLY 100 N 3.15 2.06 0.00 7.32 0.00 -1.26 -4.93 107.32 113.66 2dle s GLY 100 Ca 0.26 0.27 0.15 0.00 0.00 0.00 0.00 44.72 45.40 2dle s GLY 100 CO 0.15 0.56 1.41 -1.55 0.00 0.00 0.00 173.10 173.68 2dle n PRO 101 N -1.92 0.20 -1.41 2.90 -0.04 -1.26 -4.85 135.00 128.62 2dle n PRO 101 Ca 0.08 0.15 -0.59 0.00 -0.04 0.00 0.00 63.50 63.09 2dle n PRO 101 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 2dle n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dle n SER 102 N -1.29 0.93 -4.67 3.54 7.64 -1.26 -4.91 113.62 113.59 2dle n SER 102 Ca 0.07 0.89 -0.30 0.00 1.01 0.00 0.00 58.87 60.53 2dle n SER 102 Cb 0.12 -0.82 -0.08 0.00 -1.01 0.00 0.00 64.21 62.42 2dle n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dle s SER 103 N 3.98 4.94 0.00 6.43 0.15 -1.26 -5.24 113.70 122.70 2dle s SER 103 Ca 1.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dle s SER 103 Cb -1.38 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2dle s SER 103 CO 0.69 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.93