#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 0.08 -0.21 1.61 1.04 -1.26 -5.16 113.70 109.80 2dle s SER 2 Ca 0.00 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.39 2dle s SER 2 Cb 0.00 0.69 0.11 0.00 0.10 0.00 0.00 66.02 66.92 2dle s SER 2 CO 0.00 -1.34 0.28 -0.55 0.98 0.00 0.00 173.24 172.61 2dle s SER 3 N -3.05 0.91 0.00 7.02 0.15 -1.26 -4.98 113.70 112.49 2dle s SER 3 Ca 0.20 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dle s SER 3 Cb -0.03 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2dle s SER 3 CO 0.11 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2dle n GLY 4 N 5.34 -1.90 0.11 9.45 0.00 -1.26 -5.01 105.19 111.92 2dle n GLY 4 Ca -0.05 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 2dle n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dle h SER 5 N 0.00 0.08 -2.32 1.61 0.02 -2.06 -3.47 113.55 107.41 2dle h SER 5 Ca 0.00 -0.60 -0.60 0.00 -0.84 0.00 0.00 61.79 59.75 2dle h SER 5 Cb 0.00 -0.03 0.07 0.00 0.14 0.00 0.00 62.40 62.59 2dle h SER 5 CO 0.00 1.54 0.61 -1.54 -1.14 0.00 0.00 176.83 176.30 2dle n SER 6 N -4.28 2.53 0.00 3.07 3.41 -1.26 -4.37 113.62 112.73 2dle n SER 6 Ca -0.31 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 2dle n SER 6 Cb 0.74 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 2dle n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dle n GLY 7 N 2.58 0.71 3.60 5.00 0.00 -1.26 -5.00 105.19 110.83 2dle n GLY 7 Ca 0.15 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.15 -1.97 -0.42 4.61 0.00 -1.26 -5.12 121.76 116.44 2dle s ALA 8 Ca 0.00 1.69 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 2dle s ALA 8 Cb 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 23.12 22.13 2dle s ALA 8 CO 0.00 -0.27 0.92 0.42 0.00 0.00 0.00 175.76 176.83 2dle s ILE 9 N -0.66 4.52 -0.03 0.00 1.01 -1.26 -4.94 121.20 119.84 2dle s ILE 9 Ca 0.01 0.92 0.02 0.00 0.00 0.00 0.00 60.65 61.59 2dle s ILE 9 Cb -0.02 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.07 2dle s ILE 9 CO -0.02 -0.72 -0.07 -1.58 0.00 0.00 0.00 174.94 172.56 2dle s GLN 10 N 3.65 0.84 -0.46 2.79 0.74 -1.26 -2.59 119.66 123.36 2dle s GLN 10 Ca 0.37 -0.20 -0.25 0.00 0.05 0.00 0.00 55.36 55.33 2dle s GLN 10 Cb -0.11 -0.80 0.03 0.00 1.10 0.00 0.00 33.01 33.23 2dle s GLN 10 CO 0.23 0.03 0.92 0.08 -0.55 0.00 0.00 175.29 176.00 2dle s VAL 11 N 0.46 4.47 0.32 1.34 1.01 -1.23 -3.95 120.40 122.82 2dle s VAL 11 Ca -0.06 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.71 2dle s VAL 11 Cb -0.10 -4.44 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 2dle s VAL 11 CO 0.00 -0.84 -0.07 0.72 0.00 0.00 0.00 175.10 174.91 2dle s PHE 12 N 3.75 2.21 -0.71 5.22 -0.71 -0.81 -4.45 117.98 122.47 2dle s PHE 12 Ca 0.37 -0.60 -0.01 0.00 -1.04 0.00 0.00 56.93 55.64 2dle s PHE 12 Cb -0.10 -1.28 0.00 0.00 -1.21 0.00 0.00 43.02 40.43 2dle s PHE 12 CO 0.26 0.44 0.16 -3.47 -1.34 0.00 0.00 175.22 171.27 2dle n ASP 13 N -0.71 -3.37 -4.62 1.98 -0.08 -1.26 0.32 116.55 108.80 2dle n ASP 13 Ca -0.05 -0.08 -0.43 0.00 -1.51 0.00 0.00 54.79 52.72 2dle n ASP 13 Cb 0.64 -2.43 -0.02 0.00 2.34 0.00 0.00 41.12 41.64 2dle n ASP 13 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dle s VAL 14 N -2.67 4.00 0.08 5.18 1.01 -1.26 -3.91 120.40 122.82 2dle s VAL 14 Ca 0.08 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 2dle s VAL 14 Cb -0.04 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2dle s VAL 14 CO 0.10 -0.53 0.08 -0.89 0.00 0.00 0.00 175.10 173.86 2dle s THR 15 N 4.82 0.17 -0.38 3.92 2.01 0.58 -4.91 115.64 121.86 2dle s THR 15 Ca 0.60 -1.54 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 2dle s THR 15 Cb -0.17 -1.50 0.00 0.00 0.01 0.00 0.00 72.50 70.85 2dle s THR 15 CO 0.27 -0.79 0.31 0.00 -0.69 0.00 0.00 174.62 173.72 2dle s ALA 16 N -3.91 3.48 0.33 7.40 0.00 -1.26 -0.95 121.76 126.86 2dle s ALA 16 Ca 0.08 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.60 2dle s ALA 16 Cb 0.06 -2.83 0.58 0.00 0.00 0.00 0.00 23.12 20.93 2dle s ALA 16 CO -0.09 -1.27 1.78 -0.39 0.00 0.00 0.00 175.76 175.78 2dle h VAL 17 N 5.59 1.27 -2.66 0.00 -1.51 -1.79 -3.43 116.25 113.71 2dle h VAL 17 Ca -0.29 -1.28 -0.12 0.00 -1.23 0.00 0.00 66.70 63.78 2dle h VAL 17 Cb 1.13 1.54 -0.27 0.00 -2.13 0.00 0.00 31.29 31.57 2dle h VAL 17 CO 0.70 0.38 -0.31 0.21 -1.23 0.00 0.00 177.57 177.33 2dle s ASN 18 N -6.88 -0.50 -0.33 4.19 2.47 -1.23 -5.00 114.94 107.65 2dle s ASN 18 Ca -0.05 0.87 0.02 0.00 0.42 0.00 0.00 52.86 54.13 2dle s ASN 18 Cb 0.14 0.76 0.10 0.00 -1.45 0.00 0.00 41.25 40.80 2dle s ASN 18 CO 0.76 -0.19 0.07 -0.63 -3.72 0.00 0.00 177.10 173.38 2dle s ILE 19 N 1.41 1.79 0.38 -5.21 1.01 -1.26 -0.45 121.20 118.87 2dle s ILE 19 Ca -0.09 -2.01 0.01 0.00 0.00 0.00 0.00 60.65 58.56 2dle s ILE 19 Cb -0.09 -2.33 0.07 0.00 0.01 0.00 0.00 42.46 40.13 2dle s ILE 19 CO -0.13 -0.62 0.53 -1.20 0.00 0.00 0.00 174.94 173.52 2dle n SER 20 N 4.46 0.86 0.12 3.58 7.64 0.33 -4.64 113.62 125.97 2dle n SER 20 Ca 0.02 -1.69 -0.23 0.00 1.01 0.00 0.00 58.87 57.98 2dle n SER 20 Cb 0.42 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.33 -0.07 0.00 -0.43 0.00 -1.92 -3.36 119.26 113.16 2dle h ALA 21 Ca -0.18 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 53.91 2dle h ALA 21 Cb 0.68 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2dle h ALA 21 CO 0.20 0.70 -0.42 0.25 0.00 0.00 0.00 179.25 179.98 2dle n THR 22 N -3.75 2.00 -3.59 0.00 -2.24 -1.26 -3.09 114.28 102.34 2dle n THR 22 Ca -0.15 -2.88 -0.06 0.00 -2.27 0.00 0.00 64.05 58.69 2dle n THR 22 Cb 1.04 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -3.07 -0.20 -0.29 3.42 1.04 -1.26 -2.18 113.70 111.16 2dle s SER 23 Ca 0.36 0.12 -0.15 0.00 0.48 0.00 0.00 55.95 56.76 2dle s SER 23 Cb 0.35 0.19 0.12 0.00 0.10 0.00 0.00 66.02 66.77 2dle s SER 23 CO -0.05 -0.26 0.81 -1.48 0.98 0.00 0.00 173.24 173.24 2dle s LEU 24 N -1.66 -0.80 -0.22 2.42 0.05 -1.19 0.12 118.68 117.41 2dle s LEU 24 Ca 0.06 1.22 -0.16 0.00 0.05 0.00 0.00 54.13 55.29 2dle s LEU 24 Cb -0.01 2.09 -0.04 0.00 -2.05 0.00 0.00 46.19 46.19 2dle s LEU 24 CO -0.04 -0.19 0.43 -0.89 -0.55 0.00 0.00 176.35 175.11 2dle s THR 25 N 1.81 5.16 -0.01 5.48 2.01 0.40 -0.80 115.64 129.69 2dle s THR 25 Ca -0.08 0.75 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 2dle s THR 25 Cb -0.06 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2dle s THR 25 CO -0.18 0.20 0.18 -0.22 -0.69 0.00 0.00 174.62 173.92 2dle s LEU 26 N 1.59 4.36 0.02 4.42 2.96 -0.81 -2.20 118.68 129.02 2dle s LEU 26 Ca 0.20 0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 2dle s LEU 26 Cb -0.15 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.92 2dle s LEU 26 CO 0.09 0.26 0.12 0.27 -1.32 0.00 0.00 176.35 175.77 2dle s ILE 27 N -1.33 0.10 0.19 6.68 -4.36 -0.12 -1.85 121.20 120.50 2dle s ILE 27 Ca 0.27 -0.83 -0.17 0.00 -0.26 0.00 0.00 60.65 59.67 2dle s ILE 27 Cb -0.13 -0.59 0.03 0.00 1.25 0.00 0.00 42.46 43.02 2dle s ILE 27 CO 0.19 -0.45 0.51 -1.66 0.24 0.00 0.00 174.94 173.76 2dle s TRP 28 N -1.82 -0.13 -0.18 1.37 -2.14 -1.04 -0.31 118.94 114.70 2dle s TRP 28 Ca -0.11 -0.21 -0.02 0.00 2.66 0.00 0.00 56.10 58.42 2dle s TRP 28 Cb -0.05 0.37 -0.01 0.00 -3.10 0.00 0.00 33.47 30.68 2dle s TRP 28 CO -0.01 -0.89 -0.09 0.21 -2.66 0.00 0.00 176.95 173.52 2dle s LYS 29 N -3.86 3.37 0.02 3.25 2.20 0.15 -4.87 119.74 120.00 2dle s LYS 29 Ca 0.08 -0.65 -0.09 0.00 -0.36 0.00 0.00 55.97 54.95 2dle s LYS 29 Cb -0.01 -2.84 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 2dle s LYS 29 CO -0.04 -0.02 0.33 0.08 -0.36 0.00 0.00 175.35 175.34 2dle s VAL 30 N 0.98 5.20 -0.16 4.02 1.01 -1.26 -1.91 120.40 128.28 2dle s VAL 30 Ca -0.01 0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 2dle s VAL 30 Cb -0.15 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.68 2dle s VAL 30 CO -0.00 0.40 2.30 -0.24 0.00 0.00 0.00 175.10 177.55 2dle n SER 31 N 1.24 5.85 -3.15 3.32 2.88 -1.25 -4.62 113.62 117.88 2dle n SER 31 Ca -0.11 -2.73 0.05 0.00 -1.33 0.00 0.00 58.87 54.74 2dle n SER 31 Cb 0.53 -1.15 -0.01 0.00 -0.75 0.00 0.00 64.21 62.82 2dle n SER 31 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dle s ASP 32 N 1.19 -0.91 -0.06 -3.46 1.01 -1.26 -4.96 116.67 108.22 2dle s ASP 32 Ca 0.26 0.48 0.04 0.00 0.71 0.00 0.00 52.55 54.04 2dle s ASP 32 Cb 0.17 1.73 -0.06 0.00 1.01 0.00 0.00 42.92 45.76 2dle s ASP 32 CO -0.02 -0.17 0.01 0.59 0.21 0.00 0.00 175.17 175.78 2dle n ASN 33 N 5.42 3.64 0.32 0.27 4.13 -1.26 -4.28 115.26 123.50 2dle n ASN 33 Ca -0.02 -0.01 -0.17 0.00 1.68 0.00 0.00 54.58 56.07 2dle n ASN 33 Cb 0.53 0.52 -0.09 0.00 -1.54 0.00 0.00 39.78 39.21 2dle n ASN 33 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2dle h GLU 34 N 0.00 -0.76 -0.97 3.52 4.22 -1.99 -3.11 114.58 115.49 2dle h GLU 34 Ca -0.15 0.05 -0.65 0.00 0.08 0.00 0.00 59.36 58.70 2dle h GLU 34 Cb 1.32 0.17 -0.30 0.00 0.50 0.00 0.00 28.75 30.44 2dle h GLU 34 CO 0.00 -0.47 0.73 0.43 -2.18 0.00 0.00 179.01 177.52 2dle n SER 35 N -5.39 7.01 -2.04 1.04 7.64 -1.26 -4.78 113.62 115.83 2dle n SER 35 Ca -0.12 -3.77 -0.08 0.00 1.01 0.00 0.00 58.87 55.91 2dle n SER 35 Cb 0.34 -0.92 -0.12 0.00 -1.01 0.00 0.00 64.21 62.50 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 -0.94 4.13 -4.68 6.43 3.41 -1.18 -4.84 113.62 115.95 2dle n SER 36 Ca 0.61 -2.25 -0.31 0.00 -0.26 0.00 0.00 58.87 56.66 2dle n SER 36 Cb 0.80 -1.09 -0.08 0.00 -0.26 0.00 0.00 64.21 63.58 2dle n SER 36 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dle s SER 37 N 2.19 5.06 -1.94 4.04 0.15 -1.26 -4.47 113.70 117.48 2dle s SER 37 Ca 0.46 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2dle s SER 37 Cb 0.22 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2dle s SER 37 CO 0.00 0.23 0.00 -3.20 1.20 0.00 0.00 173.24 171.47 2dle n ASN 38 N 1.01 -5.72 -4.70 5.45 2.85 -1.26 -4.83 115.26 108.06 2dle n ASN 38 Ca -0.13 0.19 -0.41 0.00 -0.11 0.00 0.00 54.58 54.12 2dle n ASN 38 Cb 0.52 -4.85 -0.03 0.00 1.24 0.00 0.00 39.78 36.66 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2dle s TYR 39 N -2.92 3.56 0.02 1.20 1.51 -1.26 -2.27 117.35 117.18 2dle s TYR 39 Ca 0.00 1.49 0.05 0.00 -1.01 0.00 0.00 57.07 57.59 2dle s TYR 39 Cb 0.00 -3.05 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 2dle s TYR 39 CO 0.00 -0.09 -0.15 0.95 -1.11 0.00 0.00 175.55 175.15 2dle s THR 40 N 1.45 1.18 -0.17 -0.71 -4.23 0.19 -4.39 115.64 108.97 2dle s THR 40 Ca 0.45 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 2dle s THR 40 Cb -0.19 -1.04 0.02 0.00 1.34 0.00 0.00 72.50 72.64 2dle s THR 40 CO 0.20 0.14 -0.18 -0.31 -0.54 0.00 0.00 174.62 173.93 2dle s TYR 41 N -0.66 2.59 -0.53 3.99 2.02 0.78 0.49 117.35 126.03 2dle s TYR 41 Ca 0.04 -1.51 -0.19 0.00 -0.37 0.00 0.00 57.07 55.03 2dle s TYR 41 Cb -0.07 -1.82 0.07 0.00 -0.40 0.00 0.00 41.96 39.74 2dle s TYR 41 CO 0.01 -0.77 0.64 0.15 -1.57 0.00 0.00 175.55 174.01 2dle s LYS 42 N 1.35 3.09 0.05 -0.62 1.02 -0.69 -1.63 119.74 122.31 2dle s LYS 42 Ca 0.05 -1.05 -0.24 0.00 0.02 0.00 0.00 55.97 54.75 2dle s LYS 42 Cb -0.13 -4.15 -0.06 0.00 -0.52 0.00 0.00 37.83 32.97 2dle s LYS 42 CO -0.12 -1.31 0.72 0.42 -0.92 0.00 0.00 175.35 174.14 2dle s ILE 43 N 2.59 4.73 -0.36 2.17 1.09 0.12 -2.74 121.20 128.79 2dle s ILE 43 Ca 0.13 1.54 0.00 0.00 -1.10 0.00 0.00 60.65 61.22 2dle s ILE 43 Cb -0.21 -4.07 0.11 0.00 -1.06 0.00 0.00 42.46 37.24 2dle s ILE 43 CO 0.10 0.40 0.15 -2.28 -0.10 0.00 0.00 174.94 173.21 2dle s HIS 44 N -0.26 1.80 0.10 3.97 2.46 -1.14 -1.23 115.29 120.99 2dle s HIS 44 Ca 0.36 -2.00 -0.24 0.00 0.47 0.00 0.00 55.06 53.65 2dle s HIS 44 Cb -0.20 -1.76 -0.07 0.00 -0.13 0.00 0.00 32.58 30.42 2dle s HIS 44 CO 0.22 -0.85 0.72 0.08 -2.47 0.00 0.00 174.74 172.45 2dle s VAL 45 N 1.13 4.58 -0.27 0.89 1.01 0.18 -3.12 120.40 124.81 2dle s VAL 45 Ca 0.13 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2dle s VAL 45 Cb -0.20 -4.07 0.08 0.00 0.00 0.00 0.00 36.38 32.19 2dle s VAL 45 CO -0.14 0.47 0.07 0.00 0.00 0.00 0.00 175.10 175.50 2dle s ALA 46 N -0.74 1.36 0.00 5.51 0.00 -1.14 0.19 121.76 126.93 2dle s ALA 46 Ca 0.35 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2dle s ALA 46 Cb -0.21 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2dle s ALA 46 CO 0.23 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.93 2dle n GLY 47 N 4.92 1.37 0.33 0.00 0.00 -0.91 -3.39 105.19 107.52 2dle n GLY 47 Ca -0.05 -1.44 -0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 0.28 0.03 1.61 1.02 -1.26 -4.76 120.64 117.56 2dle n GLU 48 Ca 0.00 0.09 -0.21 0.00 -0.02 0.00 0.00 57.16 57.02 2dle n GLU 48 Cb 0.00 -1.10 -0.14 0.00 -0.02 0.00 0.00 31.44 30.18 2dle n GLU 48 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2dle h THR 49 N -0.23 1.21 -3.84 2.62 1.35 -2.00 -3.49 112.91 108.53 2dle h THR 49 Ca -0.30 -2.46 -0.13 0.00 -0.55 0.00 0.00 66.41 62.98 2dle h THR 49 Cb 1.35 2.90 -0.09 0.00 -1.73 0.00 0.00 68.15 70.57 2dle h THR 49 CO -0.12 0.71 -0.18 -0.62 -0.25 0.00 0.00 175.52 175.07 2dle s ASP 50 N -7.04 0.16 0.28 5.36 2.15 -1.26 -5.18 116.67 111.14 2dle s ASP 50 Ca -0.17 -1.11 0.12 0.00 0.43 0.00 0.00 52.55 51.81 2dle s ASP 50 Cb 0.03 0.59 -0.05 0.00 -0.30 0.00 0.00 42.92 43.19 2dle s ASP 50 CO 0.80 -1.16 -0.19 -0.44 -0.17 0.00 0.00 175.17 174.01 2dle s SER 51 N -3.08 3.62 0.35 -0.34 0.01 -1.26 -2.13 113.70 110.86 2dle s SER 51 Ca 0.26 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.54 2dle s SER 51 Cb 0.00 -0.32 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 2dle s SER 51 CO 0.12 0.03 0.18 -0.44 0.41 0.00 0.00 173.24 173.55 2dle s SER 52 N -3.52 1.98 -0.10 2.44 0.01 0.13 -4.97 113.70 109.68 2dle s SER 52 Ca 0.30 -1.65 -0.30 0.00 1.31 0.00 0.00 55.95 55.61 2dle s SER 52 Cb -0.05 0.48 0.11 0.00 0.21 0.00 0.00 66.02 66.77 2dle s SER 52 CO 0.15 -0.95 0.93 0.54 0.41 0.00 0.00 173.24 174.32 2dle s ASN 53 N -3.45 -0.40 -0.26 2.44 4.22 -1.26 0.51 114.94 116.75 2dle s ASN 53 Ca 0.33 0.30 -0.25 0.00 -2.14 0.00 0.00 52.86 51.11 2dle s ASN 53 Cb 0.03 0.35 0.07 0.00 1.28 0.00 0.00 41.25 42.99 2dle s ASN 53 CO 0.19 -0.46 0.70 -1.48 -2.04 0.00 0.00 177.10 174.02 2dle s LEU 54 N -1.57 -0.69 -0.14 3.54 2.34 -0.36 -4.98 118.68 116.82 2dle s LEU 54 Ca -0.01 1.40 -0.02 0.00 0.06 0.00 0.00 54.13 55.56 2dle s LEU 54 Cb -0.01 2.42 -0.02 0.00 -0.56 0.00 0.00 46.19 48.02 2dle s LEU 54 CO -0.01 -0.26 -0.07 0.54 -1.06 0.00 0.00 176.35 175.49 2dle s ASN 55 N 0.32 4.52 0.25 1.48 4.22 -1.26 0.15 114.94 124.64 2dle s ASN 55 Ca -0.00 -0.18 0.02 0.00 -2.14 0.00 0.00 52.86 50.56 2dle s ASN 55 Cb -0.05 -1.65 -0.05 0.00 1.28 0.00 0.00 41.25 40.77 2dle s ASN 55 CO 0.01 0.19 0.05 0.68 -2.04 0.00 0.00 177.10 176.00 2dle s VAL 56 N 0.22 0.81 -1.43 3.54 -7.23 -0.64 -4.95 120.40 110.72 2dle s VAL 56 Ca -0.05 -2.01 0.15 0.00 -1.81 0.00 0.00 61.98 58.27 2dle s VAL 56 Cb -0.14 -2.54 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 2dle s VAL 56 CO 0.04 -0.13 0.83 -0.24 -0.31 0.00 0.00 175.10 175.29 2dle n SER 57 N -0.47 1.60 -4.76 4.85 2.88 -1.26 -0.15 113.62 116.30 2dle n SER 57 Ca -0.02 -1.30 -0.24 0.00 -1.33 0.00 0.00 58.87 55.98 2dle n SER 57 Cb 0.65 0.45 -0.06 0.00 -0.75 0.00 0.00 64.21 64.51 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 -1.82 2.73 0.00 -1.46 1.03 -1.26 -4.73 118.70 113.19 2dle s GLU 58 Ca 0.13 -1.09 0.09 0.00 0.03 0.00 0.00 54.97 54.13 2dle s GLU 58 Cb 0.12 -2.48 0.56 0.00 -0.80 0.00 0.00 34.13 31.53 2dle s GLU 58 CO 0.38 0.42 1.00 -0.35 -1.33 0.00 0.00 175.26 175.38 2dle n PRO 59 N -0.79 0.49 -4.30 -4.83 -0.04 -1.26 -4.69 135.00 119.57 2dle n PRO 59 Ca -0.08 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.15 2dle n PRO 59 Cb 0.57 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.18 -0.30 0.54 1.70 -1.26 -2.49 118.95 116.32 2dle s ARG 60 Ca 0.14 -1.26 -0.07 0.00 -0.47 0.00 0.00 55.73 54.07 2dle s ARG 60 Cb 0.06 -1.34 0.17 0.00 -0.57 0.00 0.00 34.95 33.27 2dle s ARG 60 CO 0.11 0.29 0.72 0.00 -1.08 0.00 0.00 175.30 175.34 2dle s ALA 61 N -1.57 -2.38 0.12 7.88 0.00 -0.77 -4.90 121.76 120.14 2dle s ALA 61 Ca 0.10 1.99 -0.17 0.00 0.00 0.00 0.00 51.96 53.88 2dle s ALA 61 Cb -0.08 -2.06 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 2dle s ALA 61 CO 0.05 -1.16 0.58 0.54 0.00 0.00 0.00 175.76 175.77 2dle s VAL 62 N 2.83 4.77 -0.47 0.00 0.11 -1.26 -1.92 120.40 124.46 2dle s VAL 62 Ca 0.07 1.07 -0.07 0.00 -2.93 0.00 0.00 61.98 60.11 2dle s VAL 62 Cb -0.12 -3.83 0.12 0.00 -1.53 0.00 0.00 36.38 31.02 2dle s VAL 62 CO -0.19 0.38 0.32 -0.63 -3.33 0.00 0.00 175.10 171.66 2dle s ILE 63 N -1.31 3.99 1.14 7.04 -1.09 0.02 -4.94 121.20 126.06 2dle s ILE 63 Ca 0.34 -1.91 -0.17 0.00 -2.23 0.00 0.00 60.65 56.68 2dle s ILE 63 Cb -0.17 -3.65 0.26 0.00 -1.58 0.00 0.00 42.46 37.32 2dle s ILE 63 CO 0.19 -0.77 1.10 -2.16 -1.23 0.00 0.00 174.94 172.08 2dle s PRO 64 N 1.23 -0.73 -1.00 2.79 0.04 -1.26 -3.15 135.00 132.92 2dle s PRO 64 Ca 0.07 0.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.01 2dle s PRO 64 Cb -0.25 -1.64 0.03 0.00 0.04 0.00 0.00 34.50 32.68 2dle s PRO 64 CO -0.02 -3.42 0.61 0.41 0.04 0.00 0.00 177.00 174.62 2dle n GLY 65 N -0.99 -0.94 3.99 0.56 0.00 -0.93 -4.82 105.19 102.08 2dle n GLY 65 Ca 0.10 0.40 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 -6.42 3.41 0.03 0.99 1.43 -0.99 -4.96 118.68 112.17 2dle s LEU 66 Ca 0.30 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2dle s LEU 66 Cb -0.17 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 2dle s LEU 66 CO 0.88 -0.93 -0.10 -0.60 0.23 0.00 0.00 176.35 175.83 2dle s ARG 67 N -4.41 2.37 0.05 1.70 3.00 -1.21 -4.21 118.95 116.23 2dle s ARG 67 Ca 0.55 -0.84 -0.10 0.00 -1.00 0.00 0.00 55.73 54.35 2dle s ARG 67 Cb -0.07 -2.39 -0.06 0.00 0.00 0.00 0.00 34.95 32.43 2dle s ARG 67 CO 0.33 0.57 0.37 -1.54 0.00 0.00 0.00 175.30 175.04 2dle s SER 68 N -1.56 6.63 -1.04 -2.12 1.04 -1.18 -4.37 113.70 111.10 2dle s SER 68 Ca 0.17 0.76 -0.00 0.00 0.48 0.00 0.00 55.95 57.36 2dle s SER 68 Cb -0.11 -2.17 -0.00 0.00 0.10 0.00 0.00 66.02 63.84 2dle s SER 68 CO 0.08 0.21 0.87 -1.20 0.98 0.00 0.00 173.24 174.18 2dle n SER 69 N 1.06 -2.26 -3.73 7.02 7.64 -1.12 -4.81 113.62 117.42 2dle n SER 69 Ca -0.09 -0.54 -0.12 0.00 1.01 0.00 0.00 58.87 59.12 2dle n SER 69 Cb 0.52 -4.54 -0.11 0.00 -1.01 0.00 0.00 64.21 59.08 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dle s THR 70 N -3.32 -0.01 0.32 0.44 2.01 -1.26 -5.03 115.64 108.79 2dle s THR 70 Ca 0.02 0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 2dle s THR 70 Cb -0.00 -0.55 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 2dle s THR 70 CO 0.64 0.01 1.12 0.12 -0.69 0.00 0.00 174.62 175.82 2dle s PHE 71 N 0.58 3.42 0.02 4.92 5.36 -1.26 -3.91 117.98 127.11 2dle s PHE 71 Ca -0.03 1.65 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 2dle s PHE 71 Cb -0.05 -3.32 -0.01 0.00 -0.34 0.00 0.00 43.02 39.30 2dle s PHE 71 CO -0.03 -0.79 -0.07 0.71 -1.46 0.00 0.00 175.22 173.57 2dle s TYR 72 N -1.25 0.62 -0.30 10.12 2.02 -1.19 -4.72 117.35 122.64 2dle s TYR 72 Ca 0.48 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.91 2dle s TYR 72 Cb -0.31 -0.38 0.09 0.00 -0.40 0.00 0.00 41.96 40.95 2dle s TYR 72 CO 0.40 -0.04 0.03 -0.80 -1.57 0.00 0.00 175.55 173.57 2dle s ASN 73 N -0.86 4.37 -0.10 2.29 -0.87 -1.22 -3.32 114.94 115.24 2dle s ASN 73 Ca -0.03 -1.76 -0.09 0.00 -1.57 0.00 0.00 52.86 49.40 2dle s ASN 73 Cb -0.06 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.25 39.79 2dle s ASN 73 CO 0.00 -0.34 0.20 -0.63 -2.57 0.00 0.00 177.10 173.76 2dle s ILE 74 N 1.20 5.39 -0.29 0.60 1.01 -1.25 -2.88 121.20 124.98 2dle s ILE 74 Ca 0.06 0.36 0.01 0.00 0.00 0.00 0.00 60.65 61.07 2dle s ILE 74 Cb -0.19 -3.48 0.09 0.00 0.01 0.00 0.00 42.46 38.89 2dle s ILE 74 CO -0.12 0.59 0.04 -0.89 0.00 0.00 0.00 174.94 174.56 2dle s THR 75 N -0.89 1.35 -0.52 2.92 2.01 -1.18 -3.28 115.64 116.04 2dle s THR 75 Ca 0.17 -1.51 -0.20 0.00 0.31 0.00 0.00 61.69 60.46 2dle s THR 75 Cb -0.13 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.55 2dle s THR 75 CO 0.06 -0.47 0.70 -0.69 -0.69 0.00 0.00 174.62 173.53 2dle s VAL 76 N 1.41 4.76 -0.29 3.82 1.01 -0.69 -2.90 120.40 127.52 2dle s VAL 76 Ca 0.05 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 2dle s VAL 76 Cb -0.18 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2dle s VAL 76 CO -0.15 -0.89 0.17 0.00 0.00 0.00 0.00 175.10 174.23 2dle s PRO 78 N 1.69 3.75 -0.27 0.00 0.04 -1.26 -1.70 135.00 137.25 2dle s PRO 78 Ca 0.06 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 2dle s PRO 78 Cb -0.16 -2.40 0.15 0.00 0.04 0.00 0.00 34.50 32.13 2dle s PRO 78 CO 0.08 -0.56 0.39 0.08 0.04 0.00 0.00 177.00 177.04 2dle s VAL 79 N -1.55 -0.62 -0.50 -0.36 1.01 0.18 -3.14 120.40 115.43 2dle s VAL 79 Ca 0.64 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 2dle s VAL 79 Cb -0.28 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 2dle s VAL 79 CO 0.34 -0.21 2.91 -0.11 0.00 0.00 0.00 175.10 178.04 2dle n LEU 80 N 5.36 6.47 0.00 3.92 0.00 -1.25 0.57 117.00 132.06 2dle n LEU 80 Ca -0.02 -3.99 0.00 0.00 0.00 0.00 0.00 56.01 52.00 2dle n LEU 80 Cb 0.50 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.62 2dle n LEU 80 CO 0.02 1.77 0.00 0.61 0.00 0.00 0.00 177.39 179.80 2dle n GLY 81 N 1.38 1.63 0.63 -3.96 0.00 -0.96 -4.21 105.19 99.70 2dle n GLY 81 Ca 0.50 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 4.02 2.00 -4.53 1.61 5.75 -1.26 -5.03 116.55 119.10 2dle n ASP 82 Ca 0.00 -3.74 -0.26 0.00 -0.01 0.00 0.00 54.79 50.78 2dle n ASP 82 Cb 0.00 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.45 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 -3.18 2.24 -0.09 2.12 1.01 -1.26 -5.14 121.20 116.90 2dle s ILE 83 Ca 0.38 -2.22 -0.03 0.00 0.00 0.00 0.00 60.65 58.78 2dle s ILE 83 Cb 0.36 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 40.28 2dle s ILE 83 CO -0.04 -0.23 0.14 -1.61 0.00 0.00 0.00 174.94 173.20 2dle s GLU 84 N -3.60 0.02 0.00 2.79 2.02 -1.26 -3.96 118.70 114.71 2dle s GLU 84 Ca 0.32 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.75 2dle s GLU 84 Cb 0.02 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.72 2dle s GLU 84 CO 0.16 -0.37 0.00 0.41 0.02 0.00 0.00 175.26 175.48 2dle n GLY 85 N 5.32 2.07 3.73 -1.39 0.00 -1.19 -4.96 105.19 108.77 2dle n GLY 85 Ca -0.04 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 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 3.15 5.39 0.06 2.61 2.01 -1.07 -4.84 115.64 122.95 2dle s THR 86 Ca 0.00 0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.97 2dle s THR 86 Cb 0.00 -3.51 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 2dle s THR 86 CO 0.00 0.43 1.40 -2.16 -0.69 0.00 0.00 174.62 173.60 2dle s PRO 87 N 0.38 4.30 -0.30 4.92 0.04 -1.26 -3.52 135.00 139.57 2dle s PRO 87 Ca 0.10 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 2dle s PRO 87 Cb -0.11 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 2dle s PRO 87 CO -0.01 -0.50 0.68 0.20 0.04 0.00 0.00 177.00 177.41 2dle s GLY 88 N 1.52 1.76 -0.06 0.56 0.00 0.53 -4.86 107.32 106.77 2dle s GLY 88 Ca 0.64 -0.54 -0.08 0.00 0.00 0.00 0.00 44.72 44.75 2dle s GLY 88 CO 0.29 1.55 0.21 -1.36 0.00 0.00 0.00 173.10 173.79 2dle s PHE 89 N 2.69 3.61 -0.22 1.90 0.40 -1.26 -1.70 117.98 123.40 2dle s PHE 89 Ca 0.27 0.59 -0.05 0.00 -0.60 0.00 0.00 56.93 57.15 2dle s PHE 89 Cb -0.15 -1.99 0.11 0.00 0.51 0.00 0.00 43.02 41.50 2dle s PHE 89 CO 0.11 0.69 0.39 -1.17 0.70 0.00 0.00 175.22 175.94 2dle s LEU 90 N -1.31 -0.62 -0.04 -0.37 2.96 -1.21 -4.95 118.68 113.14 2dle s LEU 90 Ca 0.21 0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 54.42 2dle s LEU 90 Cb -0.13 1.20 -0.03 0.00 0.50 0.00 0.00 46.19 47.73 2dle s LEU 90 CO 0.10 -0.26 1.11 -1.10 -1.32 0.00 0.00 176.35 174.88 2dle s GLN 91 N 2.57 4.42 0.10 1.98 -0.21 -1.26 -3.97 119.66 123.28 2dle s GLN 91 Ca 0.05 1.57 0.10 0.00 0.02 0.00 0.00 55.36 57.11 2dle s GLN 91 Cb -0.14 -3.50 -0.04 0.00 1.00 0.00 0.00 33.01 30.34 2dle s GLN 91 CO -0.14 -0.32 -0.25 0.14 -2.12 0.00 0.00 175.29 172.60 2dle s VAL 92 N 1.78 2.07 -0.29 1.09 -7.23 -1.21 -5.06 120.40 111.54 2dle s VAL 92 Ca 0.54 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 2dle s VAL 92 Cb -0.23 -1.82 0.09 0.00 0.56 0.00 0.00 36.38 34.98 2dle s VAL 92 CO 0.23 0.13 0.07 -2.28 -0.31 0.00 0.00 175.10 172.95 2dle s HIS 93 N -1.00 1.81 0.44 2.82 2.46 -1.26 -3.15 115.29 117.42 2dle s HIS 93 Ca 0.11 -1.70 -0.25 0.00 0.47 0.00 0.00 55.06 53.69 2dle s HIS 93 Cb -0.10 -1.68 -0.08 0.00 -0.13 0.00 0.00 32.58 30.59 2dle s HIS 93 CO 0.04 -0.83 1.38 0.95 -2.47 0.00 0.00 174.74 173.81 2dle s THR 94 N 1.58 2.25 0.69 0.89 -4.23 -1.25 -4.97 115.64 110.59 2dle s THR 94 Ca 0.07 0.22 -0.14 0.00 -1.18 0.00 0.00 61.69 60.66 2dle s THR 94 Cb -0.17 -3.13 0.02 0.00 1.34 0.00 0.00 72.50 70.55 2dle s THR 94 CO -0.20 0.03 1.11 -2.16 -0.54 0.00 0.00 174.62 172.86 2dle s PRO 95 N -2.40 2.65 0.04 3.99 0.04 -1.26 -2.80 135.00 135.25 2dle s PRO 95 Ca 0.60 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 2dle s PRO 95 Cb -0.42 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2dle s PRO 95 CO 0.53 -1.36 1.42 -1.25 0.04 0.00 0.00 177.00 176.39 2dle s PRO 96 N -4.32 4.29 -0.03 0.56 0.04 -1.26 -2.96 135.00 131.32 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 -0.20 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 2dle s PRO 96 CO 0.46 -0.55 1.44 0.54 0.04 0.00 0.00 177.00 178.92 2dle s VAL 97 N 2.07 3.73 -2.00 -0.36 0.11 -1.26 -4.88 120.40 117.81 2dle s VAL 97 Ca 0.65 1.05 0.12 0.00 -2.93 0.00 0.00 61.98 60.87 2dle s VAL 97 Cb -0.34 -3.68 0.35 0.00 -1.53 0.00 0.00 36.38 31.18 2dle s VAL 97 CO 0.28 -0.03 1.15 -0.81 -3.33 0.00 0.00 175.10 172.37 2dle n PRO 98 N 5.83 0.49 -5.14 1.54 -0.04 -1.26 -4.62 135.00 131.80 2dle n PRO 98 Ca 0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 2dle n PRO 98 Cb 0.43 -1.39 -0.16 0.00 -0.04 0.00 0.00 33.50 32.34 2dle n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dle s SER 99 N -1.89 3.27 -0.03 3.54 0.01 -1.26 -5.12 113.70 112.21 2dle s SER 99 Ca 0.18 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2dle s SER 99 Cb 0.08 -1.41 -0.01 0.00 0.21 0.00 0.00 66.02 64.89 2dle s SER 99 CO 0.14 0.17 -0.22 -0.83 0.41 0.00 0.00 173.24 172.90 2dle s GLY 100 N 0.30 1.12 0.13 3.44 0.00 -1.26 -5.11 107.32 105.94 2dle s GLY 100 Ca -0.16 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.30 2dle s GLY 100 CO 0.08 -0.71 1.35 2.56 0.00 0.00 0.00 173.10 176.38 2dle s PRO 101 N -0.38 4.35 -0.35 2.90 0.04 -1.26 -5.01 135.00 135.29 2dle s PRO 101 Ca 0.04 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.03 2dle s PRO 101 Cb -0.10 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.22 2dle s PRO 101 CO 0.00 -0.38 0.17 -1.54 0.04 0.00 0.00 177.00 175.29 2dle s SER 102 N 0.93 5.56 -0.56 6.66 1.04 -1.26 -5.05 113.70 121.02 2dle s SER 102 Ca 0.62 -0.92 -0.24 0.00 0.48 0.00 0.00 55.95 55.89 2dle s SER 102 Cb -0.36 -1.97 0.04 0.00 0.10 0.00 0.00 66.02 63.83 2dle s SER 102 CO 0.32 -0.32 0.97 -0.94 0.98 0.00 0.00 173.24 174.24 2dle s SER 103 N 1.53 6.34 0.00 7.02 1.04 -1.26 -5.37 113.70 123.00 2dle s SER 103 Ca 0.02 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2dle s SER 103 Cb -0.19 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2dle s SER 103 CO 0.05 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.63