#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 4.43 0.35 1.61 0.15 -1.26 -5.15 113.70 113.84 2dle s SER 2 Ca 0.00 -1.12 0.08 0.00 0.70 0.00 0.00 55.95 55.61 2dle s SER 2 Cb 0.00 -0.37 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 2dle s SER 2 CO 0.00 -0.60 0.31 -0.44 1.20 0.00 0.00 173.24 173.71 2dle s SER 3 N -3.93 5.21 0.00 5.45 0.01 -1.26 -5.11 113.70 114.07 2dle s SER 3 Ca 0.39 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2dle s SER 3 Cb 0.03 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2dle s SER 3 CO 0.22 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2dle n GLY 4 N -1.40 -1.29 3.82 3.44 0.00 -1.26 -5.19 105.19 103.31 2dle n GLY 4 Ca -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 2dle n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dle s SER 5 N -4.00 -0.09 -0.15 1.61 1.04 -1.26 -5.10 113.70 105.75 2dle s SER 5 Ca 0.00 -0.63 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 2dle s SER 5 Cb 0.00 0.56 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 2dle s SER 5 CO 0.00 -1.09 -0.30 -0.24 0.98 0.00 0.00 173.24 172.60 2dle n SER 6 N -0.88 1.78 0.00 7.02 2.88 -1.26 -5.14 113.62 118.03 2dle n SER 6 Ca -0.05 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2dle n SER 6 Cb 0.60 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2dle n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dle n GLY 7 N 1.74 4.36 3.59 0.46 0.00 -1.26 -5.18 105.19 108.91 2dle n GLY 7 Ca -0.18 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 -1.59 -0.44 4.61 0.00 -1.26 -5.10 121.76 115.98 2dle s ALA 8 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.09 2dle s ALA 8 Cb 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 2dle s ALA 8 CO 0.00 -0.85 2.27 0.42 0.00 0.00 0.00 175.76 177.60 2dle s ILE 9 N -3.53 3.08 -0.11 0.00 1.01 -1.26 -4.92 121.20 115.46 2dle s ILE 9 Ca 0.06 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2dle s ILE 9 Cb -0.02 -3.16 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 2dle s ILE 9 CO -0.05 -0.15 -0.20 -1.58 0.00 0.00 0.00 174.94 172.97 2dle s GLN 10 N 7.59 3.17 0.05 2.79 0.74 -1.26 -2.36 119.66 130.37 2dle s GLN 10 Ca 0.93 -0.81 -0.18 0.00 0.05 0.00 0.00 55.36 55.36 2dle s GLN 10 Cb -0.20 -2.43 -0.06 0.00 1.10 0.00 0.00 33.01 31.42 2dle s GLN 10 CO 0.28 0.20 0.53 0.08 -0.55 0.00 0.00 175.29 175.83 2dle s VAL 11 N 0.33 4.82 0.18 1.34 1.01 -1.23 -3.64 120.40 123.22 2dle s VAL 11 Ca -0.16 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 2dle s VAL 11 Cb -0.17 -3.86 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2dle s VAL 11 CO 0.08 0.55 0.27 2.22 0.00 0.00 0.00 175.10 178.22 2dle n PHE 12 N 1.82 -1.04 -1.96 5.22 -1.74 -0.55 -4.69 117.46 114.52 2dle n PHE 12 Ca -0.11 -1.19 -0.17 0.00 -0.56 0.00 0.00 57.45 55.42 2dle n PHE 12 Cb 0.51 0.31 -0.04 0.00 1.52 0.00 0.00 39.48 41.78 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 -1.80 -4.67 -4.66 5.98 2.03 -1.26 -0.21 116.55 111.95 2dle n ASP 13 Ca -0.00 0.25 -0.42 0.00 0.52 0.00 0.00 54.79 55.13 2dle n ASP 13 Cb 0.30 -4.07 -0.03 0.00 -0.72 0.00 0.00 41.12 36.61 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 -2.63 3.52 0.02 5.18 1.01 -1.26 -4.40 120.40 121.85 2dle s VAL 14 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 61.98 62.49 2dle s VAL 14 Cb 0.00 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2dle s VAL 14 CO 0.00 -0.05 0.33 -0.89 0.00 0.00 0.00 175.10 174.49 2dle s THR 15 N 3.92 0.07 -0.87 3.92 2.01 -0.90 -4.97 115.64 118.82 2dle s THR 15 Ca 0.74 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.94 2dle s THR 15 Cb -0.34 -0.85 0.06 0.00 0.01 0.00 0.00 72.50 71.39 2dle s THR 15 CO 0.30 -0.31 1.26 0.00 -0.69 0.00 0.00 174.62 175.18 2dle s ALA 16 N -2.14 2.92 0.17 7.40 0.00 -1.26 -2.59 121.76 126.26 2dle s ALA 16 Ca -0.08 -2.08 -0.15 0.00 0.00 0.00 0.00 51.96 49.66 2dle s ALA 16 Cb -0.02 -4.26 0.10 0.00 0.00 0.00 0.00 23.12 18.94 2dle s ALA 16 CO -0.01 -3.27 1.77 -0.24 0.00 0.00 0.00 175.76 174.01 2dle h VAL 17 N 6.28 0.93 -3.67 0.00 3.04 -1.88 -3.42 116.25 117.52 2dle h VAL 17 Ca -0.01 -0.13 -0.31 0.00 -1.01 0.00 0.00 66.70 65.24 2dle h VAL 17 Cb 1.03 0.50 -0.31 0.00 -2.01 0.00 0.00 31.29 30.51 2dle h VAL 17 CO 1.29 0.07 -0.74 0.20 -1.01 0.00 0.00 177.57 177.38 2dle s ASN 18 N -5.43 0.34 -0.08 3.17 -0.87 -1.22 -4.99 114.94 105.86 2dle s ASN 18 Ca -0.13 -0.03 0.01 0.00 -1.57 0.00 0.00 52.86 51.13 2dle s ASN 18 Cb 0.13 -0.11 0.02 0.00 -0.02 0.00 0.00 41.25 41.27 2dle s ASN 18 CO 0.72 -0.03 -0.08 -0.63 -2.57 0.00 0.00 177.10 174.52 2dle s ILE 19 N 0.43 0.89 0.22 0.60 1.01 -1.26 0.62 121.20 123.72 2dle s ILE 19 Ca -0.04 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.35 2dle s ILE 19 Cb -0.07 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.51 2dle s ILE 19 CO -0.01 0.32 0.04 -1.20 0.00 0.00 0.00 174.94 174.09 2dle n SER 20 N 4.39 1.78 -0.03 3.58 7.64 0.39 -4.94 113.62 126.43 2dle n SER 20 Ca -0.18 -2.08 -0.14 0.00 1.01 0.00 0.00 58.87 57.48 2dle n SER 20 Cb 0.51 0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.96 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 1.24 0.03 -0.21 -0.43 0.00 -1.96 -3.36 119.26 114.58 2dle h ALA 21 Ca -0.18 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.19 2dle h ALA 21 Cb 0.61 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.31 2dle h ALA 21 CO 0.29 -0.02 -0.45 0.25 0.00 0.00 0.00 179.25 179.32 2dle n THR 22 N -4.62 2.36 -3.62 0.00 -2.24 -1.26 -3.48 114.28 101.42 2dle n THR 22 Ca -0.09 -3.30 -0.05 0.00 -2.27 0.00 0.00 64.05 58.33 2dle n THR 22 Cb 0.42 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.13 -0.16 -0.28 3.42 1.04 -1.25 -1.60 113.70 111.73 2dle s SER 23 Ca 0.42 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.88 2dle s SER 23 Cb 0.39 0.14 0.10 0.00 0.10 0.00 0.00 66.02 66.75 2dle s SER 23 CO -0.04 -0.14 0.72 -1.48 0.98 0.00 0.00 173.24 173.28 2dle s LEU 24 N -0.97 -0.93 0.22 2.42 0.05 -1.17 0.15 118.68 118.44 2dle s LEU 24 Ca 0.05 1.44 -0.10 0.00 0.05 0.00 0.00 54.13 55.57 2dle s LEU 24 Cb -0.01 2.30 -0.07 0.00 -2.05 0.00 0.00 46.19 46.35 2dle s LEU 24 CO -0.05 -0.22 0.55 -0.89 -0.55 0.00 0.00 176.35 175.19 2dle s THR 25 N 1.84 4.92 -0.04 5.48 2.01 0.20 -0.95 115.64 129.11 2dle s THR 25 Ca -0.09 0.53 0.02 0.00 0.31 0.00 0.00 61.69 62.46 2dle s THR 25 Cb -0.06 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2dle s THR 25 CO -0.19 -0.02 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.40 2dle s LEU 26 N -2.68 1.64 -0.02 4.42 1.98 -0.94 -3.19 118.68 119.89 2dle s LEU 26 Ca 0.46 -0.22 0.03 0.00 -2.89 0.00 0.00 54.13 51.51 2dle s LEU 26 Cb -0.12 -0.64 -0.00 0.00 0.66 0.00 0.00 46.19 46.09 2dle s LEU 26 CO 0.21 0.03 -0.11 0.27 -1.89 0.00 0.00 176.35 174.86 2dle s ILE 27 N 0.50 0.91 0.23 6.68 -4.36 -1.07 -2.02 121.20 122.07 2dle s ILE 27 Ca -0.09 -0.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.84 2dle s ILE 27 Cb -0.12 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 2dle s ILE 27 CO 0.02 0.27 0.11 -1.66 0.24 0.00 0.00 174.94 173.92 2dle s TRP 28 N -0.05 1.34 -0.08 1.37 -2.14 -1.10 -2.12 118.94 116.16 2dle s TRP 28 Ca 0.01 -1.28 0.05 0.00 2.66 0.00 0.00 56.10 57.53 2dle s TRP 28 Cb -0.07 -0.72 -0.00 0.00 -3.10 0.00 0.00 33.47 29.57 2dle s TRP 28 CO 0.00 -0.49 -0.24 0.21 -2.66 0.00 0.00 176.95 173.77 2dle s LYS 29 N -4.10 2.78 0.17 3.25 2.20 0.71 -4.90 119.74 119.85 2dle s LYS 29 Ca 0.38 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 55.16 2dle s LYS 29 Cb 0.07 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.17 2dle s LYS 29 CO 0.13 0.25 0.29 0.08 -0.36 0.00 0.00 175.35 175.74 2dle s VAL 30 N 0.16 5.26 -0.21 4.02 1.01 -1.26 -1.48 120.40 127.89 2dle s VAL 30 Ca -0.13 -0.78 0.13 0.00 0.00 0.00 0.00 61.98 61.19 2dle s VAL 30 Cb -0.16 -3.75 0.43 0.00 0.00 0.00 0.00 36.38 32.90 2dle s VAL 30 CO 0.07 -0.15 1.29 -0.24 0.00 0.00 0.00 175.10 176.06 2dle n SER 31 N -0.75 2.24 -1.95 3.32 2.88 -1.24 -4.62 113.62 113.50 2dle n SER 31 Ca -0.08 -3.62 -0.08 0.00 -1.33 0.00 0.00 58.87 53.77 2dle n SER 31 Cb 0.55 -0.54 0.06 0.00 -0.75 0.00 0.00 64.21 63.53 2dle n SER 31 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dle n ASP 32 N -1.14 2.82 -0.32 -3.46 9.92 -1.26 -4.88 116.55 118.23 2dle n ASP 32 Ca 0.22 -3.02 0.28 0.00 -0.53 0.00 0.00 54.79 51.75 2dle n ASP 32 Cb 0.79 -0.41 0.53 0.00 -0.64 0.00 0.00 41.12 41.39 2dle n ASP 32 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 2dle h ASN 33 N 1.94 0.27 -2.24 -2.24 -1.24 -1.98 -3.31 115.58 106.79 2dle h ASN 33 Ca 0.07 0.25 -0.58 0.00 0.71 0.00 0.00 56.30 56.75 2dle h ASN 33 Cb 1.41 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.72 2dle h ASN 33 CO 0.36 -0.36 1.41 -0.70 -1.29 0.00 0.00 177.43 176.86 2dle s GLU 34 N -5.61 3.15 -0.40 6.67 2.56 -1.26 -1.74 118.70 122.08 2dle s GLU 34 Ca -0.10 1.75 -0.02 0.00 0.00 0.00 0.00 54.97 56.60 2dle s GLU 34 Cb 0.32 -4.32 0.00 0.00 2.00 0.00 0.00 34.13 32.14 2dle s GLU 34 CO 0.78 -2.07 0.26 0.43 -0.56 0.00 0.00 175.26 174.09 2dle n SER 35 N 11.36 -3.02 -1.66 -1.70 7.64 -1.26 -4.92 113.62 120.06 2dle n SER 35 Ca 0.27 -0.12 -0.05 0.00 1.01 0.00 0.00 58.87 59.98 2dle n SER 35 Cb 0.46 -1.73 -0.01 0.00 -1.01 0.00 0.00 64.21 61.92 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 0.40 5.60 -4.84 6.43 3.41 -0.71 -4.87 113.62 119.04 2dle n SER 36 Ca -0.01 -2.57 -0.33 0.00 -0.26 0.00 0.00 58.87 55.69 2dle n SER 36 Cb 0.52 -1.15 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 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 1.58 6.00 -1.53 4.04 0.15 -1.26 -4.33 113.70 118.36 2dle s SER 37 Ca 0.15 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dle s SER 37 Cb 0.09 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2dle s SER 37 CO -0.01 0.28 0.00 0.59 1.20 0.00 0.00 173.24 175.30 2dle n ASN 38 N 1.17 -4.84 -4.70 5.45 3.02 -1.26 -4.96 115.26 109.15 2dle n ASN 38 Ca -0.13 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 2dle n ASN 38 Cb 0.53 -3.86 -0.03 0.00 -0.61 0.00 0.00 39.78 35.81 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 -2.70 3.56 0.42 3.10 1.51 -1.26 -4.48 117.35 117.50 2dle s TYR 39 Ca 0.00 1.60 0.07 0.00 -1.01 0.00 0.00 57.07 57.73 2dle s TYR 39 Cb 0.00 -3.14 -0.05 0.00 -0.11 0.00 0.00 41.96 38.66 2dle s TYR 39 CO 0.00 -0.14 0.21 0.95 -1.11 0.00 0.00 175.55 175.46 2dle s THR 40 N 1.64 2.33 -0.16 -0.71 -4.23 -0.93 -4.21 115.64 109.38 2dle s THR 40 Ca 0.49 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 2dle s THR 40 Cb -0.19 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.76 2dle s THR 40 CO 0.21 0.00 0.26 -0.31 -0.54 0.00 0.00 174.62 174.24 2dle s TYR 41 N -2.59 -0.41 -0.62 3.99 2.02 0.13 -2.06 117.35 117.81 2dle s TYR 41 Ca 0.42 0.75 -0.18 0.00 -0.37 0.00 0.00 57.07 57.68 2dle s TYR 41 Cb 0.03 -0.13 0.11 0.00 -0.40 0.00 0.00 41.96 41.57 2dle s TYR 41 CO 0.23 -0.45 0.72 0.15 -1.57 0.00 0.00 175.55 174.64 2dle s LYS 42 N 2.40 3.10 -0.59 -0.62 1.02 -1.00 -2.49 119.74 121.58 2dle s LYS 42 Ca 0.04 -1.44 -0.24 0.00 0.02 0.00 0.00 55.97 54.34 2dle s LYS 42 Cb -0.13 -4.32 0.05 0.00 -0.52 0.00 0.00 37.83 32.91 2dle s LYS 42 CO -0.10 -1.53 0.98 0.42 -0.92 0.00 0.00 175.35 174.20 2dle s ILE 43 N 2.47 4.32 -0.63 2.17 1.09 -0.97 -3.40 121.20 126.24 2dle s ILE 43 Ca 0.12 0.19 -0.21 0.00 -1.10 0.00 0.00 60.65 59.65 2dle s ILE 43 Cb -0.23 -4.60 0.09 0.00 -1.06 0.00 0.00 42.46 36.66 2dle s ILE 43 CO 0.04 -1.24 0.84 -2.28 -0.10 0.00 0.00 174.94 172.21 2dle s HIS 44 N 4.13 2.83 0.06 3.97 5.65 -0.97 0.02 115.29 130.97 2dle s HIS 44 Ca 0.30 -0.75 -0.23 0.00 0.25 0.00 0.00 55.06 54.63 2dle s HIS 44 Cb -0.13 -4.16 -0.06 0.00 -1.18 0.00 0.00 32.58 27.05 2dle s HIS 44 CO 0.17 -1.49 0.69 0.08 -0.65 0.00 0.00 174.74 173.55 2dle s VAL 45 N 3.41 4.72 -0.14 0.89 1.01 0.45 -3.20 120.40 127.53 2dle s VAL 45 Ca 0.17 1.47 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 2dle s VAL 45 Cb -0.20 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2dle s VAL 45 CO 0.08 0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 2dle s ALA 46 N -0.45 1.47 0.00 5.51 0.00 -1.10 -1.61 121.76 125.58 2dle s ALA 46 Ca 0.34 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2dle s ALA 46 Cb -0.20 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2dle s ALA 46 CO 0.21 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2dle n GLY 47 N 4.89 2.45 0.42 0.00 0.00 -1.06 -2.48 105.19 109.41 2dle n GLY 47 Ca -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 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 0.05 0.08 1.61 1.02 -1.26 -4.75 120.64 117.39 2dle n GLU 48 Ca 0.00 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 2dle n GLU 48 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 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 -0.04 1.46 -2.36 2.62 1.35 -1.99 -3.48 112.91 110.47 2dle h THR 49 Ca -0.05 -2.66 0.25 0.00 -0.55 0.00 0.00 66.41 63.41 2dle h THR 49 Cb 1.06 2.56 -0.05 0.00 -1.73 0.00 0.00 68.15 70.00 2dle h THR 49 CO -0.02 0.78 0.75 1.51 -0.25 0.00 0.00 175.52 178.29 2dle s ASP 50 N -7.04 0.01 0.36 5.36 -4.77 -1.26 -5.19 116.67 104.14 2dle s ASP 50 Ca -0.04 -0.45 0.04 0.00 -3.30 0.00 0.00 52.55 48.80 2dle s ASP 50 Cb 0.09 0.32 -0.05 0.00 -1.09 0.00 0.00 42.92 42.19 2dle s ASP 50 CO 0.86 -0.64 0.07 -0.94 0.70 0.00 0.00 175.17 175.22 2dle s SER 51 N -3.65 2.63 0.22 2.11 1.04 -1.26 -2.57 113.70 112.22 2dle s SER 51 Ca 0.26 -1.46 -0.19 0.00 0.48 0.00 0.00 55.95 55.04 2dle s SER 51 Cb -0.02 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.21 2dle s SER 51 CO 0.02 -0.69 0.60 -0.44 0.98 0.00 0.00 173.24 173.71 2dle s SER 52 N -3.55 -0.30 0.02 7.02 0.01 -0.63 -5.02 113.70 111.25 2dle s SER 52 Ca 0.32 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 57.16 2dle s SER 52 Cb 0.07 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.92 2dle s SER 52 CO 0.15 -1.14 -0.16 0.21 0.41 0.00 0.00 173.24 172.70 2dle s ASN 53 N -2.88 1.86 0.25 2.44 3.04 -1.26 -0.42 114.94 117.98 2dle s ASN 53 Ca 0.09 -0.41 0.09 0.00 0.04 0.00 0.00 52.86 52.68 2dle s ASN 53 Cb -0.03 -0.16 -0.04 0.00 -1.54 0.00 0.00 41.25 39.48 2dle s ASN 53 CO -0.00 0.11 -0.00 -0.22 -3.04 0.00 0.00 177.10 173.94 2dle s LEU 54 N -0.88 3.22 -0.24 3.21 2.96 0.10 -4.93 118.68 122.12 2dle s LEU 54 Ca 0.04 -0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 2dle s LEU 54 Cb -0.07 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 44.95 2dle s LEU 54 CO 0.01 0.02 0.17 0.54 -1.32 0.00 0.00 176.35 175.77 2dle s ASN 55 N -3.55 2.32 0.21 3.68 4.22 -1.26 -2.30 114.94 118.26 2dle s ASN 55 Ca 0.31 -0.73 0.03 0.00 -2.14 0.00 0.00 52.86 50.32 2dle s ASN 55 Cb -0.07 0.03 -0.05 0.00 1.28 0.00 0.00 41.25 42.44 2dle s ASN 55 CO 0.20 -0.38 -0.01 0.68 -2.04 0.00 0.00 177.10 175.55 2dle s VAL 56 N 2.22 0.92 -0.28 3.54 -7.23 -1.04 -4.96 120.40 113.57 2dle s VAL 56 Ca 0.07 -2.02 0.15 0.00 -1.81 0.00 0.00 61.98 58.37 2dle s VAL 56 Cb -0.16 -2.24 -0.21 0.00 0.56 0.00 0.00 36.38 34.33 2dle s VAL 56 CO -0.22 -0.39 0.45 -1.54 -0.31 0.00 0.00 175.10 173.08 2dle n SER 57 N -0.35 1.17 -4.93 4.85 3.41 -1.26 0.19 113.62 116.70 2dle n SER 57 Ca -0.06 -0.32 -0.25 0.00 -0.26 0.00 0.00 58.87 57.98 2dle n SER 57 Cb 0.63 1.44 -0.01 0.00 -0.26 0.00 0.00 64.21 66.01 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 -2.83 3.52 0.00 4.33 1.03 -1.26 -4.50 118.70 118.99 2dle s GLU 58 Ca -0.01 -0.21 0.09 0.00 0.03 0.00 0.00 54.97 54.86 2dle s GLU 58 Cb 0.10 -2.63 0.54 0.00 -0.80 0.00 0.00 34.13 31.34 2dle s GLU 58 CO 0.63 0.13 0.99 -0.35 -1.33 0.00 0.00 175.26 175.33 2dle n PRO 59 N -1.64 0.49 -4.27 -4.83 -0.04 -1.26 -4.69 135.00 118.76 2dle n PRO 59 Ca -0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.22 2dle n PRO 59 Cb 0.56 -1.29 -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 1.09 -0.29 0.54 1.70 -1.26 -2.72 118.95 116.01 2dle s ARG 60 Ca 0.14 -1.23 -0.15 0.00 -0.47 0.00 0.00 55.73 54.02 2dle s ARG 60 Cb 0.06 -1.14 0.14 0.00 -0.57 0.00 0.00 34.95 33.44 2dle s ARG 60 CO 0.11 0.24 0.88 0.00 -1.08 0.00 0.00 175.30 175.45 2dle s ALA 61 N -1.74 -2.28 0.16 7.88 0.00 -0.86 -4.88 121.76 120.04 2dle s ALA 61 Ca 0.09 2.23 -0.02 0.00 0.00 0.00 0.00 51.96 54.25 2dle s ALA 61 Cb -0.07 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 2dle s ALA 61 CO 0.04 -0.59 0.37 0.54 0.00 0.00 0.00 175.76 176.12 2dle s VAL 62 N 1.91 5.21 -0.39 0.00 0.11 -1.26 -2.21 120.40 123.76 2dle s VAL 62 Ca -0.07 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2dle s VAL 62 Cb -0.06 -3.68 0.11 0.00 -1.53 0.00 0.00 36.38 31.22 2dle s VAL 62 CO -0.17 -0.06 0.14 -0.63 -3.33 0.00 0.00 175.10 171.05 2dle s ILE 63 N -1.75 2.84 1.21 7.04 -1.09 -0.12 -4.94 121.20 124.38 2dle s ILE 63 Ca 0.39 -2.25 -0.19 0.00 -2.23 0.00 0.00 60.65 56.37 2dle s ILE 63 Cb -0.12 -3.00 0.29 0.00 -1.58 0.00 0.00 42.46 38.05 2dle s ILE 63 CO 0.27 -0.66 1.11 -2.16 -1.23 0.00 0.00 174.94 172.27 2dle s PRO 64 N 0.96 -1.27 -0.71 2.79 0.04 -1.26 -3.02 135.00 132.54 2dle s PRO 64 Ca 0.10 -0.08 -0.11 0.00 0.04 0.00 0.00 61.00 60.95 2dle s PRO 64 Cb -0.21 -1.59 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2dle s PRO 64 CO -0.06 -3.74 0.45 0.41 0.04 0.00 0.00 177.00 174.10 2dle n GLY 65 N -0.94 -0.77 3.98 0.56 0.00 -0.63 -4.77 105.19 102.62 2dle n GLY 65 Ca 0.13 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.31 3.69 -0.41 0.99 1.43 -1.20 -4.97 118.68 112.90 2dle s LEU 66 Ca 0.16 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 2dle s LEU 66 Cb -0.09 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.23 2dle s LEU 66 CO 0.66 -0.70 0.40 -0.60 0.23 0.00 0.00 176.35 176.33 2dle s ARG 67 N -4.44 3.12 0.53 1.70 6.06 -1.26 -4.47 118.95 120.18 2dle s ARG 67 Ca 0.50 -0.78 -0.21 0.00 -2.50 0.00 0.00 55.73 52.74 2dle s ARG 67 Cb -0.10 -3.95 -0.06 0.00 0.06 0.00 0.00 34.95 30.90 2dle s ARG 67 CO 0.35 -0.79 1.21 -1.12 -2.50 0.00 0.00 175.30 172.45 2dle s SER 68 N 1.77 5.65 -1.31 -2.12 0.01 -1.23 -3.37 113.70 113.10 2dle s SER 68 Ca 0.10 2.41 -0.03 0.00 1.31 0.00 0.00 55.95 59.75 2dle s SER 68 Cb -0.17 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 2dle s SER 68 CO 0.13 -1.28 0.62 -0.24 0.41 0.00 0.00 173.24 172.88 2dle n SER 69 N -1.01 -1.51 -3.72 2.44 2.88 -0.77 -4.81 113.62 107.12 2dle n SER 69 Ca 0.10 -0.90 -0.14 0.00 -1.33 0.00 0.00 58.87 56.61 2dle n SER 69 Cb 0.48 -3.69 -0.09 0.00 -0.75 0.00 0.00 64.21 60.17 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 -3.73 0.02 0.49 2.46 2.01 -1.22 -5.02 115.64 110.65 2dle s THR 70 Ca 0.07 -0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2dle s THR 70 Cb -0.02 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.78 2dle s THR 70 CO 0.84 -0.09 1.10 0.12 -0.69 0.00 0.00 174.62 175.90 2dle s PHE 71 N -0.43 2.89 0.00 4.92 5.36 -1.26 -3.77 117.98 125.68 2dle s PHE 71 Ca -0.06 1.57 -0.06 0.00 -0.96 0.00 0.00 56.93 57.42 2dle s PHE 71 Cb -0.03 -3.21 -0.00 0.00 -0.34 0.00 0.00 43.02 39.43 2dle s PHE 71 CO 0.03 -1.20 0.11 0.71 -1.46 0.00 0.00 175.22 173.40 2dle s TYR 72 N -1.78 0.08 -0.29 10.12 2.02 -1.19 -4.63 117.35 121.67 2dle s TYR 72 Ca 0.67 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 2dle s TYR 72 Cb -0.22 -0.07 0.09 0.00 -0.40 0.00 0.00 41.96 41.36 2dle s TYR 72 CO 0.26 -0.26 0.05 -0.80 -1.57 0.00 0.00 175.55 173.23 2dle s ASN 73 N -1.35 4.08 0.11 2.29 0.01 -1.03 -3.51 114.94 115.53 2dle s ASN 73 Ca -0.14 -1.60 -0.09 0.00 -0.71 0.00 0.00 52.86 50.31 2dle s ASN 73 Cb -0.08 -1.07 -0.06 0.00 0.41 0.00 0.00 41.25 40.45 2dle s ASN 73 CO 0.01 -0.37 0.42 -0.63 -1.51 0.00 0.00 177.10 175.03 2dle s ILE 74 N 1.43 5.07 -0.18 0.60 1.01 -1.25 -2.70 121.20 125.18 2dle s ILE 74 Ca 0.06 0.41 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 2dle s ILE 74 Cb -0.18 -3.65 0.07 0.00 0.01 0.00 0.00 42.46 38.71 2dle s ILE 74 CO -0.16 0.20 0.11 -0.89 0.00 0.00 0.00 174.94 174.20 2dle s THR 75 N -1.49 -0.12 -0.36 2.92 2.01 -1.20 -3.19 115.64 114.21 2dle s THR 75 Ca 0.36 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.02 2dle s THR 75 Cb -0.13 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 2dle s THR 75 CO 0.20 -0.29 0.38 -0.69 -0.69 0.00 0.00 174.62 173.52 2dle s VAL 76 N 2.17 5.15 -0.22 3.82 1.01 -0.76 -2.30 120.40 129.26 2dle s VAL 76 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2dle s VAL 76 Cb -0.16 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2dle s VAL 76 CO -0.11 -0.16 -0.13 0.00 0.00 0.00 0.00 175.10 174.70 2dle s PRO 78 N 1.24 4.32 -0.16 0.00 0.04 -1.26 -2.36 135.00 136.82 2dle s PRO 78 Ca -0.03 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 62.96 2dle s PRO 78 Cb -0.17 -2.97 0.06 0.00 0.04 0.00 0.00 34.50 31.46 2dle s PRO 78 CO -0.08 -0.14 0.09 0.08 0.04 0.00 0.00 177.00 176.99 2dle s VAL 79 N -1.23 -0.10 -0.50 -0.36 1.01 -0.88 -1.40 120.40 116.94 2dle s VAL 79 Ca 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 2dle s VAL 79 Cb -0.35 -0.53 0.22 0.00 0.00 0.00 0.00 36.38 35.71 2dle s VAL 79 CO 0.46 -0.23 2.30 -0.11 0.00 0.00 0.00 175.10 177.51 2dle n LEU 80 N 5.28 6.83 0.00 3.92 7.94 -0.97 -2.19 117.00 137.82 2dle n LEU 80 Ca -0.07 -3.96 0.00 0.00 -1.11 0.00 0.00 56.01 50.88 2dle n LEU 80 Cb 0.49 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.33 2dle n LEU 80 CO 0.10 1.52 0.00 0.61 -1.11 0.00 0.00 177.39 178.51 2dle n GLY 81 N 0.20 1.89 0.00 -3.96 0.00 -1.26 -4.44 105.19 97.62 2dle n GLY 81 Ca 0.46 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 1.58 1.00 -4.89 1.61 -0.08 -1.26 -5.02 116.55 109.50 2dle n ASP 82 Ca 0.00 -0.47 -0.33 0.00 -1.51 0.00 0.00 54.79 52.48 2dle n ASP 82 Cb 0.00 1.04 -0.05 0.00 2.34 0.00 0.00 41.12 44.45 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2dle s ILE 83 N -1.57 5.22 0.12 5.18 1.01 -1.26 -5.11 121.20 124.78 2dle s ILE 83 Ca 0.01 0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2dle s ILE 83 Cb 0.03 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2dle s ILE 83 CO 0.17 0.24 -0.23 -1.61 0.00 0.00 0.00 174.94 173.51 2dle s GLU 84 N -2.09 1.24 0.00 2.79 2.02 -1.26 -2.28 118.70 119.11 2dle s GLU 84 Ca 0.33 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2dle s GLU 84 Cb -0.13 -1.57 0.00 0.00 0.10 0.00 0.00 34.13 32.53 2dle s GLU 84 CO 0.20 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.25 2dle n GLY 85 N 0.95 3.26 3.67 -1.39 0.00 -0.49 -4.88 105.19 106.30 2dle n GLY 85 Ca -0.18 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 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 0.01 4.31 0.07 2.61 2.01 -1.00 -4.65 115.64 119.00 2dle s THR 86 Ca 0.00 1.60 -0.31 0.00 0.31 0.00 0.00 61.69 63.29 2dle s THR 86 Cb 0.00 -4.03 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 2dle s THR 86 CO 0.00 -0.09 1.39 -2.16 -0.69 0.00 0.00 174.62 173.07 2dle s PRO 87 N 2.98 4.31 -0.31 4.92 0.04 -1.26 -3.47 135.00 142.22 2dle s PRO 87 Ca 0.54 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 2dle s PRO 87 Cb -0.22 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 2dle s PRO 87 CO 0.17 -0.48 0.56 0.20 0.04 0.00 0.00 177.00 177.49 2dle s GLY 88 N 1.39 1.81 -0.07 0.56 0.00 0.81 -4.84 107.32 106.98 2dle s GLY 88 Ca 0.64 -0.74 -0.10 0.00 0.00 0.00 0.00 44.72 44.52 2dle s GLY 88 CO 0.29 1.34 0.25 -1.36 0.00 0.00 0.00 173.10 173.62 2dle s PHE 89 N 2.46 3.65 -0.18 1.90 0.40 -1.26 -1.84 117.98 123.12 2dle s PHE 89 Ca 0.22 0.71 -0.05 0.00 -0.60 0.00 0.00 56.93 57.21 2dle s PHE 89 Cb -0.15 -2.08 0.09 0.00 0.51 0.00 0.00 43.02 41.39 2dle s PHE 89 CO 0.12 0.70 0.34 -1.17 0.70 0.00 0.00 175.22 175.91 2dle s LEU 90 N -1.05 -0.47 -0.00 -0.37 2.96 -1.19 -5.00 118.68 113.55 2dle s LEU 90 Ca 0.18 0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 2dle s LEU 90 Cb -0.14 1.00 -0.04 0.00 0.50 0.00 0.00 46.19 47.51 2dle s LEU 90 CO 0.08 -0.25 1.14 -1.10 -1.32 0.00 0.00 176.35 174.89 2dle s GLN 91 N 2.51 4.43 0.07 1.98 -0.21 -1.26 -3.82 119.66 123.37 2dle s GLN 91 Ca 0.02 1.63 0.07 0.00 0.02 0.00 0.00 55.36 57.11 2dle s GLN 91 Cb -0.13 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 2dle s GLN 91 CO -0.12 -0.28 -0.19 0.14 -2.12 0.00 0.00 175.29 172.73 2dle s VAL 92 N 1.51 1.52 -0.28 1.09 -7.23 -1.23 -5.03 120.40 110.75 2dle s VAL 92 Ca 0.56 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 59.38 2dle s VAL 92 Cb -0.25 -1.38 0.09 0.00 0.56 0.00 0.00 36.38 35.40 2dle s VAL 92 CO 0.26 -0.01 0.05 -1.00 -0.31 0.00 0.00 175.10 174.09 2dle s HIS 93 N -1.04 1.98 0.46 2.82 3.76 -1.26 -3.20 115.29 118.81 2dle s HIS 93 Ca 0.05 -1.76 -0.24 0.00 -0.15 0.00 0.00 55.06 52.95 2dle s HIS 93 Cb -0.09 -1.73 -0.08 0.00 1.11 0.00 0.00 32.58 31.79 2dle s HIS 93 CO 0.03 -0.83 1.34 0.95 -0.85 0.00 0.00 174.74 175.38 2dle s THR 94 N 1.52 2.39 0.85 1.30 -4.23 -1.25 -4.99 115.64 111.24 2dle s THR 94 Ca 0.05 0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 2dle s THR 94 Cb -0.18 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.58 2dle s THR 94 CO -0.17 0.03 1.09 -2.16 -0.54 0.00 0.00 174.62 172.87 2dle s PRO 95 N -2.51 1.63 0.08 3.99 0.04 -1.26 -2.93 135.00 134.04 2dle s PRO 95 Ca 0.62 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 2dle s PRO 95 Cb -0.39 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2dle s PRO 95 CO 0.49 -2.02 1.39 -1.25 0.04 0.00 0.00 177.00 175.65 2dle s PRO 96 N -4.92 4.31 0.13 0.56 0.04 -1.26 -1.85 135.00 132.02 2dle s PRO 96 Ca 0.63 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.44 2dle s PRO 96 Cb -0.18 -3.36 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 2dle s PRO 96 CO 0.57 -0.47 0.79 0.54 0.04 0.00 0.00 177.00 178.46 2dle s VAL 97 N 1.50 4.47 0.72 -0.36 0.11 -1.26 -4.93 120.40 120.64 2dle s VAL 97 Ca 0.64 1.72 -0.13 0.00 -2.93 0.00 0.00 61.98 61.28 2dle s VAL 97 Cb -0.35 -4.15 0.03 0.00 -1.53 0.00 0.00 36.38 30.38 2dle s VAL 97 CO 0.29 0.47 1.10 -2.16 -3.33 0.00 0.00 175.10 171.47 2dle s PRO 98 N -0.77 2.51 -0.28 1.54 0.04 -1.26 -5.04 135.00 131.73 2dle s PRO 98 Ca 0.37 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2dle s PRO 98 Cb -0.22 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.46 2dle s PRO 98 CO 0.26 -1.46 -0.06 0.45 0.04 0.00 0.00 177.00 176.23 2dle s SER 99 N -3.02 4.62 0.00 6.66 0.15 -1.26 -5.10 113.70 115.75 2dle s SER 99 Ca 0.64 -1.45 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2dle s SER 99 Cb -0.19 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 2dle s SER 99 CO 0.49 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2dle n GLY 100 N 4.47 4.93 3.56 9.45 0.00 -1.26 -5.04 105.19 121.30 2dle n GLY 100 Ca -0.12 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.49 2dle n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dle s PRO 101 N -1.37 2.54 0.12 1.61 0.04 -1.26 -4.92 135.00 131.76 2dle s PRO 101 Ca 0.00 -0.41 -0.31 0.00 0.04 0.00 0.00 61.00 60.32 2dle s PRO 101 Cb 0.00 -5.09 -0.17 0.00 0.04 0.00 0.00 34.50 29.28 2dle s PRO 101 CO 0.00 -3.46 0.69 -1.13 0.04 0.00 0.00 177.00 173.13 2dle n SER 102 N 14.05 -0.73 -3.63 6.66 3.41 -1.26 -4.96 113.62 127.15 2dle n SER 102 Ca 0.41 1.08 -0.11 0.00 -0.26 0.00 0.00 58.87 59.98 2dle n SER 102 Cb 0.47 -0.89 -0.07 0.00 -0.26 0.00 0.00 64.21 63.46 2dle n SER 102 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dle s SER 103 N -0.58 -0.66 0.00 4.04 1.04 -1.26 -5.32 113.70 110.96 2dle s SER 103 Ca 0.70 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.36 2dle s SER 103 Cb -1.00 1.25 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2dle s SER 103 CO 0.53 -0.21 0.43 0.61 0.98 0.00 0.00 173.24 175.58