#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 0.00 -1.57 1.61 0.02 -2.14 -3.45 113.55 108.01 2dle h SER 2 Ca 0.00 -0.33 -0.64 0.00 -0.84 0.00 0.00 61.79 59.98 2dle h SER 2 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dle h SER 2 CO 0.00 1.01 1.36 -1.20 -1.14 0.00 0.00 176.83 176.86 2dle n SER 3 N -4.58 2.77 0.00 3.07 7.64 -1.26 -4.84 113.62 116.42 2dle n SER 3 Ca -0.15 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2dle n SER 3 Cb 0.40 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2dle n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dle n GLY 4 N 5.80 1.53 3.68 0.23 0.00 -1.26 -5.19 105.19 109.97 2dle n GLY 4 Ca 0.33 0.47 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 2dle n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dle s SER 5 N 0.00 3.74 -0.00 1.61 0.01 -1.26 -5.16 113.70 112.64 2dle s SER 5 Ca 0.00 -1.62 0.05 0.00 1.31 0.00 0.00 55.95 55.69 2dle s SER 5 Cb 0.00 0.41 -0.02 0.00 0.21 0.00 0.00 66.02 66.62 2dle s SER 5 CO 0.00 -0.82 -0.17 -0.55 0.41 0.00 0.00 173.24 172.11 2dle s SER 6 N -3.79 2.02 -0.72 2.44 0.15 -1.26 -4.88 113.70 107.67 2dle s SER 6 Ca 0.14 -0.35 -0.02 0.00 0.70 0.00 0.00 55.95 56.42 2dle s SER 6 Cb 0.03 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2dle s SER 6 CO 0.08 0.19 0.68 0.61 1.20 0.00 0.00 173.24 175.99 2dle n GLY 7 N 2.48 -1.24 2.74 9.45 0.00 -1.26 -5.04 105.19 112.32 2dle n GLY 7 Ca -0.15 0.56 -0.17 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.95 0.16 -0.38 4.61 0.00 -1.26 -5.10 121.76 116.84 2dle s ALA 8 Ca 0.03 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 2dle s ALA 8 Cb -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2dle s ALA 8 CO 0.76 -0.25 1.78 0.42 0.00 0.00 0.00 175.76 178.47 2dle s ILE 9 N 1.49 3.49 0.07 0.00 1.01 -1.26 -4.94 121.20 121.06 2dle s ILE 9 Ca -0.04 0.48 0.08 0.00 0.00 0.00 0.00 60.65 61.17 2dle s ILE 9 Cb -0.13 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 2dle s ILE 9 CO -0.03 -0.50 -0.22 -1.58 0.00 0.00 0.00 174.94 172.60 2dle s GLN 10 N 5.82 1.38 -0.35 2.79 0.74 -1.26 -2.72 119.66 126.06 2dle s GLN 10 Ca 0.77 -1.06 -0.09 0.00 0.05 0.00 0.00 55.36 55.02 2dle s GLN 10 Cb -0.20 -1.58 0.02 0.00 1.10 0.00 0.00 33.01 32.35 2dle s GLN 10 CO 0.32 0.39 0.16 0.08 -0.55 0.00 0.00 175.29 175.69 2dle s VAL 11 N -0.92 4.31 0.29 1.34 1.01 -1.25 -3.35 120.40 121.82 2dle s VAL 11 Ca 0.08 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2dle s VAL 11 Cb -0.09 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 2dle s VAL 11 CO 0.03 -0.14 0.02 2.22 0.00 0.00 0.00 175.10 177.22 2dle n PHE 12 N 4.93 0.57 -3.86 5.22 -1.74 -0.68 -4.46 117.46 117.44 2dle n PHE 12 Ca -0.13 -1.48 -0.29 0.00 -0.56 0.00 0.00 57.45 55.00 2dle n PHE 12 Cb 0.46 -0.16 0.03 0.00 1.52 0.00 0.00 39.48 41.34 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 -1.29 -4.57 -4.67 5.98 2.03 -1.26 -0.14 116.55 112.63 2dle n ASP 13 Ca -0.11 -0.76 -0.43 0.00 0.52 0.00 0.00 54.79 54.02 2dle n ASP 13 Cb 0.37 -4.02 -0.02 0.00 -0.72 0.00 0.00 41.12 36.73 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 -3.34 4.73 0.13 5.18 1.01 -1.26 -3.82 120.40 123.03 2dle s VAL 14 Ca 0.58 2.01 -0.16 0.00 0.00 0.00 0.00 61.98 64.42 2dle s VAL 14 Cb -0.29 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.82 2dle s VAL 14 CO 0.82 -0.10 0.41 -0.89 0.00 0.00 0.00 175.10 175.33 2dle s THR 15 N 2.72 0.07 -0.54 3.92 2.01 -0.47 -4.98 115.64 118.37 2dle s THR 15 Ca 0.45 -0.63 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 2dle s THR 15 Cb -0.16 -1.24 0.12 0.00 0.01 0.00 0.00 72.50 71.23 2dle s THR 15 CO 0.11 -0.30 0.51 0.00 -0.69 0.00 0.00 174.62 174.25 2dle s ALA 16 N -3.82 3.62 0.53 7.40 0.00 -1.26 -1.27 121.76 126.96 2dle s ALA 16 Ca 0.04 -2.47 0.28 0.00 0.00 0.00 0.00 51.96 49.81 2dle s ALA 16 Cb 0.02 -3.27 1.43 0.00 0.00 0.00 0.00 23.12 21.30 2dle s ALA 16 CO -0.11 -2.02 1.94 -0.39 0.00 0.00 0.00 175.76 175.19 2dle h VAL 17 N 5.88 0.65 -2.20 0.00 -1.51 -1.85 -3.41 116.25 113.81 2dle h VAL 17 Ca -0.30 -0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.13 2dle h VAL 17 Cb 1.10 0.64 -0.22 0.00 -2.13 0.00 0.00 31.29 30.68 2dle h VAL 17 CO 1.03 0.00 -0.04 0.21 -1.23 0.00 0.00 177.57 177.54 2dle s ASN 18 N -5.93 -0.76 -0.12 4.19 2.47 -1.24 -5.01 114.94 108.53 2dle s ASN 18 Ca -0.05 1.31 0.01 0.00 0.42 0.00 0.00 52.86 54.55 2dle s ASN 18 Cb 0.21 1.24 0.02 0.00 -1.45 0.00 0.00 41.25 41.26 2dle s ASN 18 CO 0.75 -0.22 -0.15 -0.63 -3.72 0.00 0.00 177.10 173.13 2dle s ILE 19 N 1.10 1.55 0.29 -5.21 1.01 -1.26 -0.54 121.20 118.15 2dle s ILE 19 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.93 2dle s ILE 19 Cb -0.05 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.99 2dle s ILE 19 CO -0.11 0.45 0.03 -1.20 0.00 0.00 0.00 174.94 174.11 2dle n SER 20 N 4.38 2.70 -0.00 3.58 7.64 0.36 -4.86 113.62 127.41 2dle n SER 20 Ca -0.18 -2.24 -0.17 0.00 1.01 0.00 0.00 58.87 57.29 2dle n SER 20 Cb 0.51 0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.09 0.05 0.00 -0.43 0.00 -1.91 -3.36 119.26 114.70 2dle h ALA 21 Ca -0.23 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 2dle h ALA 21 Cb 0.72 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2dle h ALA 21 CO 0.39 0.26 -0.51 0.25 0.00 0.00 0.00 179.25 179.64 2dle n THR 22 N -4.31 2.09 -3.63 0.00 -2.24 -1.26 -3.39 114.28 101.54 2dle n THR 22 Ca -0.10 -3.11 -0.06 0.00 -2.27 0.00 0.00 64.05 58.50 2dle n THR 22 Cb 0.63 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.17 -0.23 -0.26 3.42 1.04 -1.25 -1.67 113.70 111.58 2dle s SER 23 Ca 0.38 0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.99 2dle s SER 23 Cb 0.37 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.89 2dle s SER 23 CO -0.07 -0.14 0.65 -1.48 0.98 0.00 0.00 173.24 173.18 2dle s LEU 24 N -0.46 -0.74 -0.17 2.42 0.05 -1.18 0.13 118.68 118.74 2dle s LEU 24 Ca 0.04 1.40 -0.13 0.00 0.05 0.00 0.00 54.13 55.49 2dle s LEU 24 Cb -0.03 2.25 -0.05 0.00 -2.05 0.00 0.00 46.19 46.32 2dle s LEU 24 CO -0.07 -0.23 0.28 -0.89 -0.55 0.00 0.00 176.35 174.88 2dle s THR 25 N 1.23 5.32 -0.01 5.48 2.01 0.30 -0.93 115.64 129.04 2dle s THR 25 Ca -0.07 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.46 2dle s THR 25 Cb -0.05 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2dle s THR 25 CO -0.13 0.39 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.94 2dle s LEU 26 N 0.49 3.37 0.05 4.42 2.96 -0.78 -2.61 118.68 126.59 2dle s LEU 26 Ca 0.16 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2dle s LEU 26 Cb -0.13 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.64 2dle s LEU 26 CO 0.03 0.30 0.06 0.27 -1.32 0.00 0.00 176.35 175.69 2dle s ILE 27 N -1.01 0.17 0.11 6.68 -4.36 -0.40 -2.08 121.20 120.31 2dle s ILE 27 Ca 0.17 -1.40 -0.25 0.00 -0.26 0.00 0.00 60.65 58.92 2dle s ILE 27 Cb -0.11 -1.23 0.08 0.00 1.25 0.00 0.00 42.46 42.45 2dle s ILE 27 CO 0.08 -0.77 0.70 -1.66 0.24 0.00 0.00 174.94 173.52 2dle s TRP 28 N -3.39 -0.47 -0.11 1.37 -2.14 -1.13 -1.37 118.94 111.70 2dle s TRP 28 Ca 0.02 0.27 -0.01 0.00 2.66 0.00 0.00 56.10 59.04 2dle s TRP 28 Cb 0.04 0.56 -0.03 0.00 -3.10 0.00 0.00 33.47 30.94 2dle s TRP 28 CO -0.08 -0.77 -0.07 0.21 -2.66 0.00 0.00 176.95 173.58 2dle s LYS 29 N -3.56 3.19 0.07 3.25 2.20 0.80 -4.90 119.74 120.80 2dle s LYS 29 Ca 0.03 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.04 2dle s LYS 29 Cb -0.01 -2.71 -0.05 0.00 -1.51 0.00 0.00 37.83 33.56 2dle s LYS 29 CO -0.11 0.43 0.28 0.08 -0.36 0.00 0.00 175.35 175.67 2dle s VAL 30 N -0.18 5.30 -0.65 4.02 1.01 -1.26 -1.68 120.40 126.95 2dle s VAL 30 Ca 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 2dle s VAL 30 Cb -0.13 -3.61 0.32 0.00 0.00 0.00 0.00 36.38 32.97 2dle s VAL 30 CO 0.03 0.16 2.15 -0.24 0.00 0.00 0.00 175.10 177.20 2dle n SER 31 N 0.44 7.29 -3.33 3.32 2.88 -1.21 -4.81 113.62 118.19 2dle n SER 31 Ca -0.06 -3.61 0.02 0.00 -1.33 0.00 0.00 58.87 53.89 2dle n SER 31 Cb 0.52 -1.06 -0.04 0.00 -0.75 0.00 0.00 64.21 62.88 2dle n SER 31 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dle s ASP 32 N -0.96 -0.45 -0.06 -3.46 -1.08 -1.26 -4.88 116.67 104.53 2dle s ASP 32 Ca 0.55 0.60 0.12 0.00 -0.52 0.00 0.00 52.55 53.29 2dle s ASP 32 Cb 0.43 1.50 -0.17 0.00 -1.46 0.00 0.00 42.92 43.22 2dle s ASP 32 CO -0.18 -0.09 0.17 -0.46 0.52 0.00 0.00 175.17 175.14 2dle n ASN 33 N 4.89 2.15 -4.67 -0.34 0.23 -1.26 -4.71 115.26 111.55 2dle n ASN 33 Ca -0.08 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.54 2dle n ASN 33 Cb 0.53 1.23 -0.02 0.00 -2.08 0.00 0.00 39.78 39.44 2dle n ASN 33 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2dle s GLU 34 N -2.61 4.26 -1.01 -3.83 -6.30 -1.26 -2.88 118.70 105.07 2dle s GLU 34 Ca -0.05 1.64 0.00 0.00 -2.50 0.00 0.00 54.97 54.06 2dle s GLU 34 Cb 0.06 -3.71 0.00 0.00 0.00 0.00 0.00 34.13 30.48 2dle s GLU 34 CO 0.50 -0.64 0.00 0.43 0.02 0.00 0.00 175.26 175.57 2dle n SER 35 N 6.24 -3.84 -3.76 -1.70 7.64 -1.26 -4.93 113.62 112.01 2dle n SER 35 Ca 0.13 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 2dle n SER 35 Cb 0.45 -2.77 0.01 0.00 -1.01 0.00 0.00 64.21 60.89 2dle n SER 35 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dle n SER 36 N 0.06 6.76 0.01 6.43 7.64 -1.14 -4.54 113.62 128.84 2dle n SER 36 Ca -0.12 -3.37 -0.03 0.00 1.01 0.00 0.00 58.87 56.36 2dle n SER 36 Cb 0.50 -1.31 -0.01 0.00 -1.01 0.00 0.00 64.21 62.38 2dle n SER 36 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dle n SER 37 N 1.57 1.32 -1.61 6.43 2.88 -1.26 -4.70 113.62 118.25 2dle n SER 37 Ca 0.43 0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 58.12 2dle n SER 37 Cb 0.30 -0.44 -0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 -3.76 5.55 -4.71 -3.46 3.02 -1.26 -4.88 115.26 105.76 2dle n ASN 38 Ca -0.05 -2.54 -0.40 0.00 -0.03 0.00 0.00 54.58 51.57 2dle n ASN 38 Cb 0.18 -1.13 -0.05 0.00 -0.61 0.00 0.00 39.78 38.17 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2dle s TYR 39 N -0.28 3.56 0.29 3.10 1.51 -1.26 -4.25 117.35 120.02 2dle s TYR 39 Ca 0.09 1.20 0.09 0.00 -1.01 0.00 0.00 57.07 57.45 2dle s TYR 39 Cb 0.06 -2.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.08 2dle s TYR 39 CO -0.00 0.08 0.02 0.99 -1.11 0.00 0.00 175.55 175.52 2dle s THR 40 N 0.85 3.17 -0.14 -0.71 2.01 0.26 -4.36 115.64 116.71 2dle s THR 40 Ca 0.36 -1.91 -0.04 0.00 0.31 0.00 0.00 61.69 60.41 2dle s THR 40 Cb -0.17 -2.83 0.07 0.00 0.01 0.00 0.00 72.50 69.57 2dle s THR 40 CO 0.17 -0.31 0.20 -0.31 -0.69 0.00 0.00 174.62 173.68 2dle s TYR 41 N -2.39 -0.25 -0.50 4.92 2.02 0.12 -0.53 117.35 120.74 2dle s TYR 41 Ca 0.33 0.49 -0.17 0.00 -0.37 0.00 0.00 57.07 57.35 2dle s TYR 41 Cb -0.04 -0.28 0.08 0.00 -0.40 0.00 0.00 41.96 41.32 2dle s TYR 41 CO 0.20 -0.43 0.49 0.15 -1.57 0.00 0.00 175.55 174.39 2dle s LYS 42 N 2.32 3.02 -0.64 -0.62 1.02 -0.75 -2.08 119.74 122.00 2dle s LYS 42 Ca 0.04 -1.30 -0.22 0.00 0.02 0.00 0.00 55.97 54.52 2dle s LYS 42 Cb -0.14 -4.16 0.08 0.00 -0.52 0.00 0.00 37.83 33.09 2dle s LYS 42 CO -0.09 -1.16 0.90 0.42 -0.92 0.00 0.00 175.35 174.51 2dle s ILE 43 N 1.94 4.44 -0.57 2.17 1.09 -0.51 -2.08 121.20 127.69 2dle s ILE 43 Ca 0.07 -0.52 -0.24 0.00 -1.10 0.00 0.00 60.65 58.86 2dle s ILE 43 Cb -0.24 -4.64 0.04 0.00 -1.06 0.00 0.00 42.46 36.57 2dle s ILE 43 CO 0.07 -1.38 0.96 -2.28 -0.10 0.00 0.00 174.94 172.21 2dle s HIS 44 N 3.73 2.76 0.01 3.97 5.65 -0.71 0.36 115.29 131.07 2dle s HIS 44 Ca 0.19 -0.09 -0.20 0.00 0.25 0.00 0.00 55.06 55.22 2dle s HIS 44 Cb -0.19 -4.12 -0.06 0.00 -1.18 0.00 0.00 32.58 27.03 2dle s HIS 44 CO 0.09 -1.41 0.57 0.08 -0.65 0.00 0.00 174.74 173.41 2dle s VAL 45 N 4.02 4.89 -0.24 0.89 1.01 0.23 -2.75 120.40 128.46 2dle s VAL 45 Ca 0.29 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 2dle s VAL 45 Cb -0.13 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.42 2dle s VAL 45 CO 0.18 0.46 0.03 0.00 0.00 0.00 0.00 175.10 175.77 2dle s ALA 46 N -0.44 1.35 0.00 5.51 0.00 -1.10 -0.31 121.76 126.77 2dle s ALA 46 Ca 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2dle s ALA 46 Cb -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.58 2dle s ALA 46 CO 0.17 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.02 2dle n GLY 47 N 4.91 0.30 0.00 0.00 0.00 -1.03 -2.54 105.19 106.82 2dle n GLY 47 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.72 0.00 1.61 -0.58 -1.26 -4.68 120.64 117.45 2dle n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2dle n GLU 48 Cb 0.00 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 2dle n GLU 48 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2dle n THR 49 N -2.13 0.00 -4.81 2.62 -2.24 -1.26 -5.06 114.28 101.40 2dle n THR 49 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2dle n THR 49 Cb 0.45 -0.44 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 2dle n THR 49 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dle s ASP 50 N -3.52 3.76 0.29 3.42 1.47 -1.26 -5.14 116.67 115.68 2dle s ASP 50 Ca 0.00 -0.37 0.06 0.00 1.18 0.00 0.00 52.55 53.42 2dle s ASP 50 Cb 0.00 -0.63 -0.06 0.00 -0.34 0.00 0.00 42.92 41.89 2dle s ASP 50 CO 0.00 0.29 -0.04 -0.44 0.68 0.00 0.00 175.17 175.66 2dle s SER 51 N -1.15 2.74 0.19 2.11 0.01 -1.26 -2.47 113.70 113.86 2dle s SER 51 Ca 0.13 -1.22 -0.14 0.00 1.31 0.00 0.00 55.95 56.03 2dle s SER 51 Cb -0.10 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2dle s SER 51 CO 0.03 -0.38 0.44 -0.44 0.41 0.00 0.00 173.24 173.30 2dle s SER 52 N -3.45 -0.15 0.03 2.44 0.01 0.58 -5.00 113.70 108.15 2dle s SER 52 Ca 0.30 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2dle s SER 52 Cb 0.05 0.53 -0.02 0.00 0.21 0.00 0.00 66.02 66.78 2dle s SER 52 CO 0.12 -1.00 -0.19 0.21 0.41 0.00 0.00 173.24 172.80 2dle s ASN 53 N -2.91 2.26 0.04 2.44 3.84 -1.26 0.77 114.94 120.12 2dle s ASN 53 Ca 0.12 -0.45 0.05 0.00 0.21 0.00 0.00 52.86 52.79 2dle s ASN 53 Cb 0.01 -0.20 -0.04 0.00 -0.55 0.00 0.00 41.25 40.47 2dle s ASN 53 CO -0.02 0.16 -0.10 -0.22 -2.79 0.00 0.00 177.10 174.14 2dle s LEU 54 N -0.94 3.03 -0.26 3.21 2.96 0.16 -4.95 118.68 121.88 2dle s LEU 54 Ca 0.06 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2dle s LEU 54 Cb -0.08 -1.77 0.07 0.00 0.50 0.00 0.00 46.19 44.91 2dle s LEU 54 CO 0.01 0.24 -0.02 0.20 -1.32 0.00 0.00 176.35 175.46 2dle s ASN 55 N -1.67 4.05 0.12 3.68 0.01 -1.26 -1.42 114.94 118.45 2dle s ASN 55 Ca 0.18 -1.40 0.03 0.00 -0.71 0.00 0.00 52.86 50.96 2dle s ASN 55 Cb -0.11 -1.23 -0.04 0.00 0.41 0.00 0.00 41.25 40.28 2dle s ASN 55 CO 0.09 -0.28 -0.09 0.68 -1.51 0.00 0.00 177.10 175.99 2dle s VAL 56 N 1.33 0.97 -1.02 1.60 -7.23 -0.88 -5.02 120.40 110.15 2dle s VAL 56 Ca -0.01 -1.97 0.11 0.00 -1.81 0.00 0.00 61.98 58.30 2dle s VAL 56 Cb -0.19 -1.73 0.28 0.00 0.56 0.00 0.00 36.38 35.30 2dle s VAL 56 CO -0.09 -0.77 1.20 -0.24 -0.31 0.00 0.00 175.10 174.90 2dle n SER 57 N -0.05 2.81 -4.50 4.85 2.88 -1.26 0.12 113.62 118.46 2dle n SER 57 Ca -0.12 -1.92 -0.24 0.00 -1.33 0.00 0.00 58.87 55.26 2dle n SER 57 Cb 0.60 -0.20 -0.10 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.99 1.78 0.00 -1.46 1.03 -1.26 -4.63 118.70 113.17 2dle s GLU 58 Ca 0.22 -1.65 0.10 0.00 0.03 0.00 0.00 54.97 53.67 2dle s GLU 58 Cb 0.12 -1.87 0.59 0.00 -0.80 0.00 0.00 34.13 32.18 2dle s GLU 58 CO 0.16 0.35 1.03 -0.35 -1.33 0.00 0.00 175.26 175.12 2dle n PRO 59 N -0.52 0.49 -4.24 -4.83 -0.04 -1.26 -4.67 135.00 119.93 2dle n PRO 59 Ca -0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 2dle n PRO 59 Cb 0.59 -1.32 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.71 -0.28 0.54 1.70 -1.26 -2.84 118.95 115.53 2dle s ARG 60 Ca 0.15 -0.62 -0.13 0.00 -0.47 0.00 0.00 55.73 54.66 2dle s ARG 60 Cb 0.07 -0.65 0.10 0.00 -0.57 0.00 0.00 34.95 33.90 2dle s ARG 60 CO 0.11 0.16 0.65 0.00 -1.08 0.00 0.00 175.30 175.14 2dle s ALA 61 N -0.82 -1.88 0.15 7.88 0.00 -0.89 -4.91 121.76 121.29 2dle s ALA 61 Ca -0.01 2.31 -0.06 0.00 0.00 0.00 0.00 51.96 54.20 2dle s ALA 61 Cb -0.07 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 2dle s ALA 61 CO 0.01 -0.63 0.40 0.54 0.00 0.00 0.00 175.76 176.08 2dle s VAL 62 N 2.22 5.13 -0.40 0.00 0.11 -1.26 -1.86 120.40 124.34 2dle s VAL 62 Ca -0.08 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2dle s VAL 62 Cb -0.09 -3.62 0.11 0.00 -1.53 0.00 0.00 36.38 31.25 2dle s VAL 62 CO -0.19 0.05 0.18 -0.63 -3.33 0.00 0.00 175.10 171.18 2dle s ILE 63 N -1.65 3.11 1.18 7.04 -1.09 -0.10 -4.94 121.20 124.74 2dle s ILE 63 Ca 0.41 -2.16 -0.18 0.00 -2.23 0.00 0.00 60.65 56.49 2dle s ILE 63 Cb -0.12 -3.15 0.28 0.00 -1.58 0.00 0.00 42.46 37.88 2dle s ILE 63 CO 0.23 -0.68 1.11 -2.16 -1.23 0.00 0.00 174.94 172.21 2dle s PRO 64 N 1.04 -1.03 -0.80 2.79 0.04 -1.26 -3.11 135.00 132.67 2dle s PRO 64 Ca 0.09 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 60.98 2dle s PRO 64 Cb -0.22 -1.61 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2dle s PRO 64 CO -0.05 -3.60 0.49 0.41 0.04 0.00 0.00 177.00 174.29 2dle n GLY 65 N -0.96 -0.78 3.99 0.56 0.00 -0.67 -4.77 105.19 102.55 2dle n GLY 65 Ca 0.12 0.34 -0.19 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 -5.79 3.69 0.01 0.99 1.43 -1.06 -4.95 118.68 113.01 2dle s LEU 66 Ca 0.22 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 2dle s LEU 66 Cb -0.12 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2dle s LEU 66 CO 0.71 -0.72 0.16 -0.13 0.23 0.00 0.00 176.35 176.61 2dle s ARG 67 N -4.40 3.33 -0.05 1.70 0.52 -1.22 -4.10 118.95 114.73 2dle s ARG 67 Ca 0.51 -0.41 -0.07 0.00 -0.52 0.00 0.00 55.73 55.24 2dle s ARG 67 Cb -0.10 -3.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 2dle s ARG 67 CO 0.34 0.65 0.22 -1.12 0.02 0.00 0.00 175.30 175.41 2dle s SER 68 N -2.07 6.47 -1.15 0.23 0.01 -1.24 -4.46 113.70 111.49 2dle s SER 68 Ca 0.28 0.54 -0.03 0.00 1.31 0.00 0.00 55.95 58.05 2dle s SER 68 Cb -0.13 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 2dle s SER 68 CO 0.20 0.33 0.93 -1.20 0.41 0.00 0.00 173.24 173.91 2dle n SER 69 N 1.53 -3.91 -3.72 2.44 7.64 -1.03 -4.86 113.62 111.71 2dle n SER 69 Ca -0.15 -0.69 -0.13 0.00 1.01 0.00 0.00 58.87 58.90 2dle n SER 69 Cb 0.54 -4.98 -0.10 0.00 -1.01 0.00 0.00 64.21 58.66 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 -3.41 -0.00 0.47 0.44 2.01 -1.26 -5.02 115.64 108.87 2dle s THR 70 Ca 0.20 0.00 -0.22 0.00 0.31 0.00 0.00 61.69 61.99 2dle s THR 70 Cb -0.03 -0.61 -0.07 0.00 0.01 0.00 0.00 72.50 71.80 2dle s THR 70 CO 0.75 0.00 1.12 0.12 -0.69 0.00 0.00 174.62 175.92 2dle s PHE 71 N 0.28 2.91 0.02 4.92 5.36 -1.26 -3.77 117.98 126.44 2dle s PHE 71 Ca -0.00 1.56 -0.04 0.00 -0.96 0.00 0.00 56.93 57.49 2dle s PHE 71 Cb -0.03 -3.27 -0.01 0.00 -0.34 0.00 0.00 43.02 39.37 2dle s PHE 71 CO -0.00 -1.26 0.07 0.71 -1.46 0.00 0.00 175.22 173.28 2dle s TYR 72 N -1.69 0.17 -0.29 10.12 2.02 -1.18 -4.50 117.35 122.01 2dle s TYR 72 Ca 0.65 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 2dle s TYR 72 Cb -0.24 -0.13 0.09 0.00 -0.40 0.00 0.00 41.96 41.27 2dle s TYR 72 CO 0.29 -0.28 0.07 -0.80 -1.57 0.00 0.00 175.55 173.25 2dle s ASN 73 N -1.68 3.90 -0.04 2.29 -0.87 -1.05 -3.35 114.94 114.14 2dle s ASN 73 Ca -0.12 -1.50 -0.14 0.00 -1.57 0.00 0.00 52.86 49.54 2dle s ASN 73 Cb -0.06 -0.92 -0.05 0.00 -0.02 0.00 0.00 41.25 40.20 2dle s ASN 73 CO -0.01 -0.37 0.37 -0.63 -2.57 0.00 0.00 177.10 173.88 2dle s ILE 74 N 1.57 5.13 -0.19 0.60 1.01 -1.23 -2.72 121.20 125.37 2dle s ILE 74 Ca 0.06 0.73 -0.02 0.00 0.00 0.00 0.00 60.65 61.43 2dle s ILE 74 Cb -0.18 -3.67 0.06 0.00 0.01 0.00 0.00 42.46 38.68 2dle s ILE 74 CO -0.19 0.55 0.00 -0.89 0.00 0.00 0.00 174.94 174.41 2dle s THR 75 N -0.82 0.83 -0.53 2.92 2.01 -1.11 -2.51 115.64 116.43 2dle s THR 75 Ca 0.22 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.35 2dle s THR 75 Cb -0.16 -1.21 0.06 0.00 0.01 0.00 0.00 72.50 71.20 2dle s THR 75 CO 0.11 -0.11 0.70 -0.69 -0.69 0.00 0.00 174.62 173.94 2dle s VAL 76 N 1.73 4.77 -0.44 3.82 1.01 0.03 -1.73 120.40 129.58 2dle s VAL 76 Ca -0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.42 2dle s VAL 76 Cb -0.17 -4.37 0.05 0.00 0.00 0.00 0.00 36.38 31.89 2dle s VAL 76 CO -0.07 -0.91 0.35 0.00 0.00 0.00 0.00 175.10 174.47 2dle s PRO 78 N 1.65 4.32 -0.18 0.00 0.04 -1.26 -1.82 135.00 137.75 2dle s PRO 78 Ca 0.04 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 2dle s PRO 78 Cb -0.22 -3.33 0.06 0.00 0.04 0.00 0.00 34.50 31.05 2dle s PRO 78 CO 0.08 -0.46 0.09 0.08 0.04 0.00 0.00 177.00 176.84 2dle s VAL 79 N 1.41 -0.08 0.13 -0.36 1.01 0.31 -2.78 120.40 120.03 2dle s VAL 79 Ca 0.64 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.32 2dle s VAL 79 Cb -0.35 -0.62 -0.16 0.00 0.00 0.00 0.00 36.38 35.24 2dle s VAL 79 CO 0.29 -0.33 1.32 0.25 0.00 0.00 0.00 175.10 176.64 2dle h LEU 80 N 8.42 0.66 0.00 3.92 6.46 -1.74 0.74 115.31 133.77 2dle h LEU 80 Ca -0.16 -0.48 0.00 0.00 -0.12 0.00 0.00 57.88 57.12 2dle h LEU 80 Cb 1.13 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2dle h LEU 80 CO 0.31 1.27 0.00 0.61 -0.62 0.00 0.00 178.44 180.00 2dle n GLY 81 N 0.81 -1.90 0.00 3.75 0.00 -1.26 -4.42 105.19 102.16 2dle n GLY 81 Ca -0.07 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 1.40 -4.56 1.61 8.00 -1.26 -5.05 116.55 116.68 2dle n ASP 82 Ca 0.00 -1.59 -0.25 0.00 0.71 0.00 0.00 54.79 53.66 2dle n ASP 82 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2dle s ILE 83 N -0.59 3.05 -0.11 0.53 1.01 -1.26 -5.13 121.20 118.70 2dle s ILE 83 Ca 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 60.65 58.68 2dle s ILE 83 Cb 0.00 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.92 2dle s ILE 83 CO 0.00 -0.28 -0.03 -1.61 0.00 0.00 0.00 174.94 173.02 2dle s GLU 84 N -3.29 1.03 0.00 2.79 2.02 -1.26 -3.98 118.70 116.01 2dle s GLU 84 Ca 0.28 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.14 2dle s GLU 84 Cb -0.07 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.76 2dle s GLU 84 CO 0.16 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2dle n GLY 85 N 5.04 1.25 3.52 -1.39 0.00 -1.12 -5.00 105.19 107.49 2dle n GLY 85 Ca -0.10 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 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 1.75 4.25 -0.05 2.61 2.01 -1.10 -4.89 115.64 120.21 2dle s THR 86 Ca 0.00 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 2dle s THR 86 Cb 0.00 -2.91 -0.05 0.00 0.01 0.00 0.00 72.50 69.55 2dle s THR 86 CO 0.00 0.44 1.49 -2.16 -0.69 0.00 0.00 174.62 173.70 2dle s PRO 87 N 0.73 4.23 -0.30 4.92 0.04 -1.26 -3.77 135.00 139.59 2dle s PRO 87 Ca 0.01 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2dle s PRO 87 Cb -0.14 -3.77 0.01 0.00 0.04 0.00 0.00 34.50 30.64 2dle s PRO 87 CO 0.02 -0.72 0.94 0.20 0.04 0.00 0.00 177.00 177.48 2dle s GLY 88 N 2.49 1.65 -0.05 0.56 0.00 0.84 -4.79 107.32 108.03 2dle s GLY 88 Ca 0.66 -0.18 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 2dle s GLY 88 CO 0.26 2.02 0.25 -1.36 0.00 0.00 0.00 173.10 174.26 2dle s PHE 89 N 3.25 3.63 -0.28 1.90 0.40 -1.26 -0.79 117.98 124.83 2dle s PHE 89 Ca 0.39 0.67 -0.03 0.00 -0.60 0.00 0.00 56.93 57.36 2dle s PHE 89 Cb -0.14 -2.05 0.16 0.00 0.51 0.00 0.00 43.02 41.50 2dle s PHE 89 CO 0.12 0.68 0.53 -1.17 0.70 0.00 0.00 175.22 176.08 2dle s LEU 90 N -1.25 -1.08 0.32 -0.37 2.96 -1.04 -4.97 118.68 113.23 2dle s LEU 90 Ca 0.21 0.80 -0.27 0.00 -0.22 0.00 0.00 54.13 54.65 2dle s LEU 90 Cb -0.14 1.82 -0.09 0.00 0.50 0.00 0.00 46.19 48.28 2dle s LEU 90 CO 0.10 -0.26 1.00 -1.10 -1.32 0.00 0.00 176.35 174.76 2dle s GLN 91 N 2.76 4.54 -0.00 1.98 1.11 -1.26 -3.47 119.66 125.32 2dle s GLN 91 Ca 0.13 1.49 -0.01 0.00 0.01 0.00 0.00 55.36 56.98 2dle s GLN 91 Cb -0.14 -2.89 -0.00 0.00 -1.01 0.00 0.00 33.01 28.96 2dle s GLN 91 CO -0.19 0.21 0.01 0.14 0.01 0.00 0.00 175.29 175.48 2dle s VAL 92 N -1.47 0.03 -0.31 1.09 -7.23 -1.21 -5.04 120.40 106.26 2dle s VAL 92 Ca 0.49 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 2dle s VAL 92 Cb -0.23 -0.12 0.07 0.00 0.56 0.00 0.00 36.38 36.66 2dle s VAL 92 CO 0.29 -0.15 0.01 -2.28 -0.31 0.00 0.00 175.10 172.66 2dle s HIS 93 N -0.45 3.38 0.34 2.82 2.46 -1.26 -3.08 115.29 119.49 2dle s HIS 93 Ca -0.05 -2.22 -0.29 0.00 0.47 0.00 0.00 55.06 52.98 2dle s HIS 93 Cb -0.03 -2.34 -0.10 0.00 -0.13 0.00 0.00 32.58 29.98 2dle s HIS 93 CO -0.00 -0.87 1.37 0.95 -2.47 0.00 0.00 174.74 173.72 2dle s THR 94 N 1.15 2.52 0.53 0.89 -4.23 -1.25 -4.98 115.64 110.27 2dle s THR 94 Ca -0.02 0.52 -0.20 0.00 -1.18 0.00 0.00 61.69 60.81 2dle s THR 94 Cb -0.20 -3.33 -0.06 0.00 1.34 0.00 0.00 72.50 70.25 2dle s THR 94 CO -0.03 0.12 1.14 -2.16 -0.54 0.00 0.00 174.62 173.14 2dle s PRO 95 N -1.74 3.43 0.24 3.99 0.04 -1.26 -2.46 135.00 137.24 2dle s PRO 95 Ca 0.51 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 2dle s PRO 95 Cb -0.42 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2dle s PRO 95 CO 0.55 -0.79 1.28 -1.25 0.04 0.00 0.00 177.00 176.82 2dle s PRO 96 N -3.17 4.42 0.22 0.56 0.04 -1.26 -3.33 135.00 132.47 2dle s PRO 96 Ca 0.71 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 2dle s PRO 96 Cb -0.25 -3.17 -0.15 0.00 0.04 0.00 0.00 34.50 30.97 2dle s PRO 96 CO 0.28 -0.17 0.97 0.28 0.04 0.00 0.00 177.00 178.40 2dle n VAL 97 N 1.98 1.52 -2.15 -0.36 0.31 -1.26 -4.85 118.33 113.53 2dle n VAL 97 Ca 0.04 -0.38 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 2dle n VAL 97 Cb 0.43 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.63 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 -0.96 4.19 -0.28 5.55 0.04 -1.26 -4.99 135.00 137.28 2dle s PRO 98 Ca 0.66 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.53 2dle s PRO 98 Cb -0.82 -3.91 -0.02 0.00 0.04 0.00 0.00 34.50 29.78 2dle s PRO 98 CO 0.56 -0.81 0.49 -1.54 0.04 0.00 0.00 177.00 175.74 2dle s SER 99 N 2.89 6.37 0.00 6.66 1.04 -1.26 -4.94 113.70 124.46 2dle s SER 99 Ca 0.67 0.34 0.00 0.00 0.48 0.00 0.00 55.95 57.44 2dle s SER 99 Cb -0.29 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2dle s SER 99 CO 0.24 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dle n GLY 100 N 4.55 2.86 0.11 7.32 0.00 -1.26 -4.90 105.19 113.87 2dle n GLY 100 Ca -0.05 -1.96 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 2dle n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dle h PRO 101 N 0.00 0.23 -5.58 1.61 0.13 -1.98 -3.44 132.00 122.97 2dle h PRO 101 Ca 0.00 -0.12 -0.63 0.00 -0.87 0.00 0.00 66.00 64.38 2dle h PRO 101 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2dle h PRO 101 CO 0.00 0.65 1.53 0.43 -0.23 0.00 0.00 178.00 180.38 2dle n SER 102 N -4.67 0.88 -3.41 1.44 7.64 -1.26 -4.61 113.62 109.63 2dle n SER 102 Ca -0.07 0.36 -0.45 0.00 1.01 0.00 0.00 58.87 59.72 2dle n SER 102 Cb 0.32 -1.01 -0.10 0.00 -1.01 0.00 0.00 64.21 62.41 2dle n SER 102 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dle n SER 103 N 9.59 0.53 0.00 6.43 3.41 -1.26 -5.01 113.62 127.32 2dle n SER 103 Ca 0.56 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 2dle n SER 103 Cb 0.07 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 2dle n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49