#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dle n SER 2 N 0.00 -3.88 -3.67 1.61 2.88 -1.26 -4.96 113.62 104.34 2dle n SER 2 Ca 0.00 -0.83 -0.11 0.00 -1.33 0.00 0.00 58.87 56.61 2dle n SER 2 Cb 0.00 -3.72 -0.11 0.00 -0.75 0.00 0.00 64.21 59.62 2dle n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dle s SER 3 N -3.51 -0.08 -0.25 -3.46 1.04 -1.26 -5.00 113.70 101.18 2dle s SER 3 Ca 0.55 0.81 -0.09 0.00 0.48 0.00 0.00 55.95 57.70 2dle s SER 3 Cb -0.28 0.98 0.01 0.00 0.10 0.00 0.00 66.02 66.84 2dle s SER 3 CO 0.84 -0.22 0.35 0.61 0.98 0.00 0.00 173.24 175.80 2dle n GLY 4 N 5.15 -1.05 3.52 7.32 0.00 -1.26 -4.95 105.19 113.92 2dle n GLY 4 Ca -0.11 0.68 -0.43 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.94 6.34 0.28 1.61 1.04 -1.26 -5.03 113.70 114.74 2dle s SER 5 Ca 0.14 -0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.27 2dle s SER 5 Cb -0.04 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 2dle s SER 5 CO 0.44 -1.18 0.38 -0.94 0.98 0.00 0.00 173.24 172.92 2dle s SER 6 N 2.78 6.11 0.04 7.02 1.04 -1.26 -5.13 113.70 124.29 2dle s SER 6 Ca 0.30 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.68 2dle s SER 6 Cb -0.13 -1.58 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 2dle s SER 6 CO 0.19 -0.20 -0.06 -0.83 0.98 0.00 0.00 173.24 173.32 2dle s GLY 7 N -4.04 0.42 -0.14 7.32 0.00 -1.26 -5.15 107.32 104.47 2dle s GLY 7 Ca 0.38 -0.72 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 2dle s GLY 7 CO 0.29 -0.78 0.33 0.00 0.00 0.00 0.00 173.10 172.95 2dle s ALA 8 N -1.47 -0.82 -0.27 3.20 0.00 -1.26 -5.11 121.76 116.03 2dle s ALA 8 Ca -0.12 1.29 -0.36 0.00 0.00 0.00 0.00 51.96 52.77 2dle s ALA 8 Cb -0.10 -0.80 -0.12 0.00 0.00 0.00 0.00 23.12 22.10 2dle s ALA 8 CO -0.00 -0.24 2.00 -0.89 0.00 0.00 0.00 175.76 176.63 2dle n ILE 9 N 4.27 0.32 -4.69 0.00 5.41 -1.26 -4.90 119.36 118.50 2dle n ILE 9 Ca -0.24 -0.17 -0.23 0.00 1.00 0.00 0.00 62.75 63.11 2dle n ILE 9 Cb 0.54 -1.61 -0.15 0.00 -0.71 0.00 0.00 39.64 37.71 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 5.01 1.25 -0.21 0.38 0.74 -1.26 -2.15 119.66 123.41 2dle s GLN 10 Ca 1.02 -0.53 -0.11 0.00 0.05 0.00 0.00 55.36 55.79 2dle s GLN 10 Cb -0.86 -1.19 -0.05 0.00 1.10 0.00 0.00 33.01 32.01 2dle s GLN 10 CO 0.54 0.31 0.18 0.08 -0.55 0.00 0.00 175.29 175.85 2dle s VAL 11 N -0.29 5.36 0.14 1.34 1.01 -1.23 -3.47 120.40 123.27 2dle s VAL 11 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2dle s VAL 11 Cb -0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2dle s VAL 11 CO -0.00 0.38 0.03 0.72 0.00 0.00 0.00 175.10 176.23 2dle s PHE 12 N 0.70 0.99 -0.64 5.22 -0.71 -0.36 -4.61 117.98 118.58 2dle s PHE 12 Ca 0.10 -1.14 -0.01 0.00 -1.04 0.00 0.00 56.93 54.84 2dle s PHE 12 Cb -0.12 -0.56 0.00 0.00 -1.21 0.00 0.00 43.02 41.12 2dle s PHE 12 CO 0.02 -0.39 0.14 -3.47 -1.34 0.00 0.00 175.22 170.18 2dle n ASP 13 N -0.15 -3.15 -4.62 1.98 2.03 -1.26 0.40 116.55 111.78 2dle n ASP 13 Ca -0.06 -0.07 -0.43 0.00 0.52 0.00 0.00 54.79 54.75 2dle n ASP 13 Cb 0.63 -2.22 -0.02 0.00 -0.72 0.00 0.00 41.12 38.79 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 3.75 0.13 5.18 1.01 -1.26 -4.11 120.40 122.47 2dle s VAL 14 Ca 0.07 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 2dle s VAL 14 Cb -0.03 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2dle s VAL 14 CO 0.09 -0.36 0.29 -0.89 0.00 0.00 0.00 175.10 174.22 2dle s THR 15 N 5.27 0.09 -0.38 3.92 2.01 -0.53 -4.94 115.64 121.08 2dle s THR 15 Ca 0.69 -1.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.42 2dle s THR 15 Cb -0.23 -1.54 0.02 0.00 0.01 0.00 0.00 72.50 70.76 2dle s THR 15 CO 0.29 -0.41 0.25 0.00 -0.69 0.00 0.00 174.62 174.05 2dle s ALA 16 N -3.90 3.39 0.40 7.40 0.00 -1.26 -1.20 121.76 126.58 2dle s ALA 16 Ca 0.10 -1.67 0.20 0.00 0.00 0.00 0.00 51.96 50.59 2dle s ALA 16 Cb 0.03 -2.72 1.14 0.00 0.00 0.00 0.00 23.12 21.58 2dle s ALA 16 CO -0.06 -1.35 1.98 -0.39 0.00 0.00 0.00 175.76 175.94 2dle h VAL 17 N 5.72 0.87 -2.00 0.00 -1.51 -1.87 -3.43 116.25 114.03 2dle h VAL 17 Ca -0.27 -0.75 0.01 0.00 -1.23 0.00 0.00 66.70 64.46 2dle h VAL 17 Cb 1.12 1.44 -0.21 0.00 -2.13 0.00 0.00 31.29 31.51 2dle h VAL 17 CO 0.69 0.19 0.04 0.21 -1.23 0.00 0.00 177.57 177.47 2dle s ASN 18 N -6.56 -0.92 -0.15 4.19 2.47 -1.24 -5.03 114.94 107.69 2dle s ASN 18 Ca -0.03 1.51 0.00 0.00 0.42 0.00 0.00 52.86 54.76 2dle s ASN 18 Cb 0.14 1.40 0.02 0.00 -1.45 0.00 0.00 41.25 41.36 2dle s ASN 18 CO 0.65 -0.24 -0.14 -0.63 -3.72 0.00 0.00 177.10 173.02 2dle s ILE 19 N 1.46 1.57 0.28 -5.21 1.01 -1.26 -0.04 121.20 119.00 2dle s ILE 19 Ca -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2dle s ILE 19 Cb -0.05 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.96 2dle s ILE 19 CO -0.17 0.44 0.17 -1.20 0.00 0.00 0.00 174.94 174.18 2dle n SER 20 N 4.77 2.04 0.10 3.58 7.64 0.29 -4.80 113.62 127.24 2dle n SER 20 Ca -0.17 -2.00 -0.08 0.00 1.01 0.00 0.00 58.87 57.63 2dle n SER 20 Cb 0.50 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.78 -0.35 -0.67 -0.43 0.00 -1.86 -3.35 119.26 113.39 2dle h ALA 21 Ca -0.19 -0.15 -0.36 0.00 0.00 0.00 0.00 54.91 54.22 2dle h ALA 21 Cb 0.65 0.13 -0.21 0.00 0.00 0.00 0.00 17.79 18.37 2dle h ALA 21 CO 0.29 -0.35 0.26 0.25 0.00 0.00 0.00 179.25 179.70 2dle n THR 22 N -5.00 2.88 -3.60 0.00 -2.24 -1.26 -3.00 114.28 102.07 2dle n THR 22 Ca -0.06 -2.44 -0.06 0.00 -2.27 0.00 0.00 64.05 59.21 2dle n THR 22 Cb 0.21 -0.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.00 -0.22 -0.28 3.42 1.04 -1.26 -2.44 113.70 111.97 2dle s SER 23 Ca 0.51 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.97 2dle s SER 23 Cb 0.44 0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.83 2dle s SER 23 CO 0.04 -0.23 0.69 -1.48 0.98 0.00 0.00 173.24 173.24 2dle s LEU 24 N -1.33 -0.93 -0.20 2.42 0.05 -1.19 0.11 118.68 117.61 2dle s LEU 24 Ca 0.04 1.51 -0.16 0.00 0.05 0.00 0.00 54.13 55.57 2dle s LEU 24 Cb -0.01 2.38 -0.04 0.00 -2.05 0.00 0.00 46.19 46.47 2dle s LEU 24 CO -0.03 -0.24 0.39 -0.89 -0.55 0.00 0.00 176.35 175.03 2dle s THR 25 N 1.59 5.21 0.05 5.48 2.01 0.94 -0.89 115.64 130.03 2dle s THR 25 Ca -0.10 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.62 2dle s THR 25 Cb -0.05 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2dle s THR 25 CO -0.19 0.26 0.07 -0.22 -0.69 0.00 0.00 174.62 173.85 2dle s LEU 26 N 1.25 3.79 0.04 4.42 2.96 -0.45 -2.87 118.68 127.82 2dle s LEU 26 Ca 0.19 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.06 2dle s LEU 26 Cb -0.15 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 2dle s LEU 26 CO 0.08 0.21 0.12 0.27 -1.32 0.00 0.00 176.35 175.71 2dle s ILE 27 N -1.31 0.13 0.03 6.68 -4.36 -0.34 -1.91 121.20 120.12 2dle s ILE 27 Ca 0.27 -1.09 -0.28 0.00 -0.26 0.00 0.00 60.65 59.28 2dle s ILE 27 Cb -0.12 -0.99 0.07 0.00 1.25 0.00 0.00 42.46 42.68 2dle s ILE 27 CO 0.19 -0.60 0.67 -1.66 0.24 0.00 0.00 174.94 173.77 2dle s TRP 28 N -2.82 -0.59 -0.16 1.37 -2.14 -1.00 -1.45 118.94 112.14 2dle s TRP 28 Ca -0.03 0.78 -0.06 0.00 2.66 0.00 0.00 56.10 59.45 2dle s TRP 28 Cb 0.00 0.47 -0.04 0.00 -3.10 0.00 0.00 33.47 30.81 2dle s TRP 28 CO -0.05 -0.69 0.03 0.21 -2.66 0.00 0.00 176.95 173.79 2dle s LYS 29 N -2.21 3.79 0.27 3.25 2.20 0.16 -4.84 119.74 122.36 2dle s LYS 29 Ca -0.06 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 2dle s LYS 29 Cb -0.00 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2dle s LYS 29 CO 0.00 0.32 0.45 0.08 -0.36 0.00 0.00 175.35 175.84 2dle s VAL 30 N 0.21 5.18 -0.33 4.02 1.01 -1.26 -1.22 120.40 128.00 2dle s VAL 30 Ca 0.02 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 2dle s VAL 30 Cb -0.13 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.48 2dle s VAL 30 CO 0.01 -0.36 0.09 -0.55 0.00 0.00 0.00 175.10 174.29 2dle s SER 31 N -3.69 5.27 -0.75 3.32 0.15 -1.23 -4.63 113.70 112.15 2dle s SER 31 Ca 0.38 -1.12 -0.02 0.00 0.70 0.00 0.00 55.95 55.89 2dle s SER 31 Cb -0.10 -1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 62.33 2dle s SER 31 CO 0.32 -0.31 0.64 0.47 1.20 0.00 0.00 173.24 175.55 2dle n ASP 32 N 4.80 -3.49 -1.71 5.45 8.00 -1.26 -4.70 116.55 123.64 2dle n ASP 32 Ca -0.13 -0.44 0.04 0.00 0.71 0.00 0.00 54.79 54.98 2dle n ASP 32 Cb 0.45 -3.59 0.33 0.00 -0.02 0.00 0.00 41.12 38.29 2dle n ASP 32 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2dle n ASN 33 N -2.52 4.96 0.20 -2.24 0.23 -1.26 -4.47 115.26 110.16 2dle n ASN 33 Ca -0.12 -2.82 0.09 0.00 -0.53 0.00 0.00 54.58 51.20 2dle n ASN 33 Cb 0.60 -0.67 0.48 0.00 -2.08 0.00 0.00 39.78 38.11 2dle n ASN 33 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2dle h GLU 34 N 3.26 0.00 -0.80 -3.83 4.11 -1.98 0.21 114.58 115.54 2dle h GLU 34 Ca 0.03 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.90 2dle h GLU 34 Cb 1.81 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.71 2dle h GLU 34 CO 0.45 0.00 -0.12 0.43 0.07 0.00 0.00 179.01 179.84 2dle n SER 35 N -2.26 5.68 -1.87 3.06 7.64 -1.26 -4.82 113.62 119.80 2dle n SER 35 Ca -0.01 -3.77 -0.08 0.00 1.01 0.00 0.00 58.87 56.02 2dle n SER 35 Cb 0.31 -0.61 -0.11 0.00 -1.01 0.00 0.00 64.21 62.79 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 -0.83 5.04 -0.01 6.43 3.41 0.74 -4.43 113.62 123.96 2dle n SER 36 Ca 0.50 -2.41 -0.13 0.00 -0.26 0.00 0.00 58.87 56.58 2dle n SER 36 Cb 0.87 -1.27 -0.08 0.00 -0.26 0.00 0.00 64.21 63.47 2dle n SER 36 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dle h SER 37 N 2.51 0.08 0.00 4.04 0.87 -1.87 -3.33 113.55 115.84 2dle h SER 37 Ca 0.12 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 2dle h SER 37 Cb 1.30 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.14 2dle h SER 37 CO 0.17 0.40 -0.54 -3.20 -0.53 0.00 0.00 176.83 173.13 2dle n ASN 38 N -4.87 1.51 -4.76 6.23 2.85 -1.26 -5.07 115.26 109.88 2dle n ASN 38 Ca -0.07 -3.14 -0.41 0.00 -0.11 0.00 0.00 54.58 50.85 2dle n ASN 38 Cb 0.20 -0.43 -0.02 0.00 1.24 0.00 0.00 39.78 40.78 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 -2.11 2.85 0.20 1.20 1.51 -1.25 -4.69 117.35 115.04 2dle s TYR 39 Ca 0.33 1.06 0.06 0.00 -1.01 0.00 0.00 57.07 57.51 2dle s TYR 39 Cb 0.33 -3.91 -0.05 0.00 -0.11 0.00 0.00 41.96 38.22 2dle s TYR 39 CO -0.07 -2.85 -0.09 0.95 -1.11 0.00 0.00 175.55 172.38 2dle s THR 40 N -0.48 1.38 -0.08 -0.71 -4.23 -0.59 -4.31 115.64 106.61 2dle s THR 40 Ca 0.57 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 2dle s THR 40 Cb -0.44 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.36 2dle s THR 40 CO 0.51 -0.56 0.04 -0.31 -0.54 0.00 0.00 174.62 173.75 2dle s TYR 41 N -3.20 0.44 -0.59 3.99 2.02 -0.34 -1.01 117.35 118.67 2dle s TYR 41 Ca 0.22 -0.11 -0.18 0.00 -0.37 0.00 0.00 57.07 56.63 2dle s TYR 41 Cb 0.02 -0.70 0.11 0.00 -0.40 0.00 0.00 41.96 40.99 2dle s TYR 41 CO 0.05 -0.33 0.68 0.15 -1.57 0.00 0.00 175.55 174.53 2dle s LYS 42 N 2.05 3.04 -0.73 -0.62 1.02 -1.01 -2.49 119.74 121.00 2dle s LYS 42 Ca 0.04 -1.39 -0.21 0.00 0.02 0.00 0.00 55.97 54.43 2dle s LYS 42 Cb -0.13 -4.28 0.09 0.00 -0.52 0.00 0.00 37.83 33.00 2dle s LYS 42 CO -0.05 -1.51 0.97 0.42 -0.92 0.00 0.00 175.35 174.26 2dle s ILE 43 N 2.51 4.53 -0.28 2.17 1.09 -1.10 -3.19 121.20 126.93 2dle s ILE 43 Ca 0.10 -0.84 -0.24 0.00 -1.10 0.00 0.00 60.65 58.57 2dle s ILE 43 Cb -0.25 -4.68 -0.00 0.00 -1.06 0.00 0.00 42.46 36.47 2dle s ILE 43 CO 0.06 -1.42 0.82 -2.28 -0.10 0.00 0.00 174.94 172.02 2dle s HIS 44 N 3.41 3.25 0.07 3.97 5.65 -1.02 -0.45 115.29 130.17 2dle s HIS 44 Ca 0.24 0.99 -0.12 0.00 0.25 0.00 0.00 55.06 56.41 2dle s HIS 44 Cb -0.14 -3.17 -0.06 0.00 -1.18 0.00 0.00 32.58 28.03 2dle s HIS 44 CO 0.03 -0.50 0.44 0.08 -0.65 0.00 0.00 174.74 174.14 2dle s VAL 45 N 2.95 5.02 -0.26 0.89 1.01 0.18 -2.82 120.40 127.36 2dle s VAL 45 Ca 0.34 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2dle s VAL 45 Cb -0.15 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.63 2dle s VAL 45 CO 0.10 0.37 0.06 0.00 0.00 0.00 0.00 175.10 175.62 2dle s ALA 46 N -1.32 1.45 -0.02 5.51 0.00 -0.99 -1.27 121.76 125.13 2dle s ALA 46 Ca 0.31 -1.34 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2dle s ALA 46 Cb -0.15 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 2dle s ALA 46 CO 0.17 -1.45 -0.25 0.20 0.00 0.00 0.00 175.76 174.43 2dle s GLY 47 N 1.65 1.21 0.42 0.00 0.00 0.14 -2.58 107.32 108.16 2dle s GLY 47 Ca 0.04 -1.06 0.33 0.00 0.00 0.00 0.00 44.72 44.03 2dle s GLY 47 CO -0.17 -0.88 1.42 1.18 0.00 0.00 0.00 173.10 174.65 2dle n GLU 48 N 2.48 -0.03 -0.03 2.90 1.02 -1.26 0.13 120.64 125.85 2dle n GLU 48 Ca -0.16 1.11 -0.14 0.00 -0.02 0.00 0.00 57.16 57.95 2dle n GLU 48 Cb 0.51 -2.25 -0.10 0.00 -0.02 0.00 0.00 31.44 29.58 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 0.00 1.50 -2.31 2.62 1.35 -1.96 -3.49 112.91 110.62 2dle h THR 49 Ca 0.81 -1.65 0.25 0.00 -0.55 0.00 0.00 66.41 65.27 2dle h THR 49 Cb 2.76 2.52 -0.05 0.00 -1.73 0.00 0.00 68.15 71.64 2dle h THR 49 CO -0.34 0.45 0.73 1.51 -0.25 0.00 0.00 175.52 177.62 2dle s ASP 50 N -6.09 -0.00 0.05 5.36 -4.77 0.35 -5.18 116.67 106.39 2dle s ASP 50 Ca -0.16 -0.45 0.05 0.00 -3.30 0.00 0.00 52.55 48.69 2dle s ASP 50 Cb 0.01 0.34 -0.02 0.00 -1.09 0.00 0.00 42.92 42.16 2dle s ASP 50 CO 0.72 -0.67 -0.14 -0.44 0.70 0.00 0.00 175.17 175.34 2dle s SER 51 N -3.54 1.66 0.27 2.11 0.01 -1.26 0.24 113.70 113.18 2dle s SER 51 Ca 0.24 -0.51 0.02 0.00 1.31 0.00 0.00 55.95 57.01 2dle s SER 51 Cb -0.01 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.09 2dle s SER 51 CO 0.02 -0.01 0.16 -0.55 0.41 0.00 0.00 173.24 173.28 2dle s SER 52 N -1.35 1.04 -0.02 2.44 0.15 -0.40 -4.96 113.70 110.60 2dle s SER 52 Ca 0.00 -1.51 0.05 0.00 0.70 0.00 0.00 55.95 55.19 2dle s SER 52 Cb -0.09 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 2dle s SER 52 CO 0.02 -0.88 -0.17 0.54 1.20 0.00 0.00 173.24 173.95 2dle s ASN 53 N -3.29 2.04 0.39 5.45 2.20 -1.26 0.47 114.94 120.94 2dle s ASN 53 Ca 0.38 -0.32 0.08 0.00 -0.94 0.00 0.00 52.86 52.05 2dle s ASN 53 Cb 0.06 -0.36 -0.04 0.00 -2.00 0.00 0.00 41.25 38.90 2dle s ASN 53 CO 0.17 0.18 0.23 -0.22 -2.94 0.00 0.00 177.10 174.52 2dle s LEU 54 N -0.22 3.26 -0.20 3.54 2.96 0.40 -4.93 118.68 123.48 2dle s LEU 54 Ca 0.02 -0.87 -0.11 0.00 -0.22 0.00 0.00 54.13 52.95 2dle s LEU 54 Cb -0.08 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.94 2dle s LEU 54 CO 0.00 -0.50 0.49 0.21 -1.32 0.00 0.00 176.35 175.23 2dle s ASN 55 N -3.96 -0.64 0.37 3.68 3.84 -1.25 -2.70 114.94 114.28 2dle s ASN 55 Ca 0.42 1.07 -0.10 0.00 0.21 0.00 0.00 52.86 54.46 2dle s ASN 55 Cb -0.00 0.95 0.03 0.00 -0.55 0.00 0.00 41.25 41.68 2dle s ASN 55 CO 0.24 -0.21 0.66 0.68 -2.79 0.00 0.00 177.10 175.68 2dle s VAL 56 N 1.47 0.00 -0.16 -5.21 -7.23 -1.04 -4.97 120.40 103.27 2dle s VAL 56 Ca -0.10 -1.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2dle s VAL 56 Cb -0.07 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2dle s VAL 56 CO -0.15 0.00 0.15 -0.24 -0.31 0.00 0.00 175.10 174.55 2dle n SER 57 N -1.47 0.18 -4.90 4.85 2.88 -1.26 -1.20 113.62 112.70 2dle n SER 57 Ca -0.04 -0.58 -0.24 0.00 -1.33 0.00 0.00 58.87 56.67 2dle n SER 57 Cb 0.61 1.00 -0.03 0.00 -0.75 0.00 0.00 64.21 65.03 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 -1.33 3.26 0.00 -1.46 -1.05 -1.26 -4.68 118.70 112.17 2dle s GLU 58 Ca 0.01 -0.75 0.09 0.00 -0.15 0.00 0.00 54.97 54.17 2dle s GLU 58 Cb 0.03 -2.83 0.52 0.00 -0.44 0.00 0.00 34.13 31.40 2dle s GLU 58 CO 0.14 0.48 0.96 -0.35 0.95 0.00 0.00 175.26 177.44 2dle n PRO 59 N -0.77 0.49 -4.18 -4.83 -0.04 -1.26 -4.69 135.00 119.72 2dle n PRO 59 Ca -0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.20 2dle n PRO 59 Cb 0.55 -1.28 -0.12 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.85 -0.28 0.54 1.04 -1.26 -2.38 118.95 115.45 2dle s ARG 60 Ca 0.13 -1.01 -0.16 0.00 -1.04 0.00 0.00 55.73 53.65 2dle s ARG 60 Cb 0.06 -0.83 0.10 0.00 -2.04 0.00 0.00 34.95 32.24 2dle s ARG 60 CO 0.10 0.18 0.76 0.00 -0.04 0.00 0.00 175.30 176.30 2dle s ALA 61 N -1.45 -1.97 -0.02 7.88 0.00 -0.80 -4.91 121.76 120.49 2dle s ALA 61 Ca -0.00 2.37 -0.09 0.00 0.00 0.00 0.00 51.96 54.24 2dle s ALA 61 Cb -0.09 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 2dle s ALA 61 CO 0.02 -0.37 0.28 0.08 0.00 0.00 0.00 175.76 175.77 2dle s VAL 62 N 1.54 5.27 -0.49 0.00 1.01 -1.26 -1.34 120.40 125.12 2dle s VAL 62 Ca -0.09 0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 2dle s VAL 62 Cb -0.05 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.89 2dle s VAL 62 CO -0.18 0.47 0.37 -0.63 0.00 0.00 0.00 175.10 175.13 2dle s ILE 63 N -1.19 4.25 1.21 2.22 -1.09 -0.07 -4.93 121.20 121.61 2dle s ILE 63 Ca 0.24 -1.86 -0.20 0.00 -2.23 0.00 0.00 60.65 56.59 2dle s ILE 63 Cb -0.14 -3.79 0.30 0.00 -1.58 0.00 0.00 42.46 37.25 2dle s ILE 63 CO 0.13 -0.79 1.08 -0.81 -1.23 0.00 0.00 174.94 173.31 2dle n PRO 64 N 4.82 -3.12 -4.00 2.79 -0.04 -1.26 -3.14 135.00 131.04 2dle n PRO 64 Ca -0.06 -1.72 -0.39 0.00 -0.04 0.00 0.00 63.50 61.28 2dle n PRO 64 Cb 0.41 -1.62 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 2dle n PRO 64 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dle n GLY 65 N -4.67 -0.79 3.91 0.55 0.00 -1.03 -4.80 105.19 98.37 2dle n GLY 65 Ca 0.15 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.27 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 -6.85 3.10 0.38 0.99 1.43 -1.02 -4.97 118.68 111.75 2dle s LEU 66 Ca 0.38 -0.94 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 2dle s LEU 66 Cb -0.21 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2dle s LEU 66 CO 0.85 -0.92 0.19 -0.13 0.23 0.00 0.00 176.35 176.57 2dle s ARG 67 N -4.27 2.34 0.13 1.70 3.00 -1.16 -4.02 118.95 116.67 2dle s ARG 67 Ca 0.45 -1.67 0.06 0.00 0.00 0.00 0.00 55.73 54.58 2dle s ARG 67 Cb -0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 34.95 32.75 2dle s ARG 67 CO 0.27 -0.03 -0.01 -1.12 0.00 0.00 0.00 175.30 174.41 2dle s SER 68 N -3.91 4.85 -1.50 0.23 0.01 -1.24 -4.60 113.70 107.54 2dle s SER 68 Ca 0.41 -0.30 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 2dle s SER 68 Cb -0.00 -1.08 0.05 0.00 0.21 0.00 0.00 66.02 65.20 2dle s SER 68 CO 0.23 0.13 0.54 -1.54 0.41 0.00 0.00 173.24 173.02 2dle n SER 69 N 0.25 -1.35 -3.93 2.44 3.41 0.30 -4.80 113.62 109.94 2dle n SER 69 Ca -0.11 -1.00 -0.15 0.00 -0.26 0.00 0.00 58.87 57.35 2dle n SER 69 Cb 0.53 -2.97 -0.14 0.00 -0.26 0.00 0.00 64.21 61.37 2dle n SER 69 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2dle s THR 70 N -3.75 0.31 0.39 6.66 2.01 -1.25 -4.97 115.64 115.04 2dle s THR 70 Ca 0.25 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.83 2dle s THR 70 Cb -0.13 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.02 2dle s THR 70 CO 0.90 0.09 1.16 0.12 -0.69 0.00 0.00 174.62 176.20 2dle s PHE 71 N -0.06 3.11 0.03 4.92 5.36 -1.26 -3.41 117.98 126.67 2dle s PHE 71 Ca 0.01 1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 57.51 2dle s PHE 71 Cb -0.02 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.28 2dle s PHE 71 CO -0.00 -1.23 0.06 0.71 -1.46 0.00 0.00 175.22 173.29 2dle s TYR 72 N -1.42 0.24 -0.28 10.12 2.02 -1.15 -4.50 117.35 122.39 2dle s TYR 72 Ca 0.56 -0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2dle s TYR 72 Cb -0.30 -0.18 0.09 0.00 -0.40 0.00 0.00 41.96 41.17 2dle s TYR 72 CO 0.38 -0.32 0.08 -0.80 -1.57 0.00 0.00 175.55 173.32 2dle s ASN 73 N -2.01 3.72 0.21 2.29 -0.87 -1.06 -3.62 114.94 113.60 2dle s ASN 73 Ca -0.07 -1.40 -0.01 0.00 -1.57 0.00 0.00 52.86 49.81 2dle s ASN 73 Cb -0.03 -0.77 -0.04 0.00 -0.02 0.00 0.00 41.25 40.39 2dle s ASN 73 CO -0.04 -0.38 0.42 -0.63 -2.57 0.00 0.00 177.10 173.89 2dle s ILE 74 N 1.71 5.18 -0.23 0.60 1.01 -1.25 -2.34 121.20 125.88 2dle s ILE 74 Ca 0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2dle s ILE 74 Cb -0.17 -3.73 0.12 0.00 0.01 0.00 0.00 42.46 38.69 2dle s ILE 74 CO -0.22 -0.19 0.32 -0.89 0.00 0.00 0.00 174.94 173.96 2dle s THR 75 N -1.90 -0.50 -0.29 2.92 2.01 -1.13 -3.49 115.64 113.26 2dle s THR 75 Ca 0.39 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.17 2dle s THR 75 Cb -0.11 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2dle s THR 75 CO 0.29 -0.15 0.34 -0.69 -0.69 0.00 0.00 174.62 173.72 2dle s VAL 76 N 2.47 5.19 -0.22 3.82 1.01 -0.75 -2.42 120.40 129.50 2dle s VAL 76 Ca 0.11 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.49 2dle s VAL 76 Cb -0.15 -3.70 0.05 0.00 0.00 0.00 0.00 36.38 32.58 2dle s VAL 76 CO -0.14 0.12 -0.11 0.00 0.00 0.00 0.00 175.10 174.96 2dle s PRO 78 N 1.29 4.40 -0.15 0.00 0.04 -1.26 -2.41 135.00 136.91 2dle s PRO 78 Ca -0.04 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 62.99 2dle s PRO 78 Cb -0.17 -3.05 0.06 0.00 0.04 0.00 0.00 34.50 31.37 2dle s PRO 78 CO -0.07 -0.08 0.09 0.08 0.04 0.00 0.00 177.00 177.06 2dle s VAL 79 N -1.18 -0.10 0.05 -0.36 1.01 -0.18 -2.63 120.40 116.99 2dle s VAL 79 Ca 0.49 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 2dle s VAL 79 Cb -0.36 -0.51 -0.32 0.00 0.00 0.00 0.00 36.38 35.18 2dle s VAL 79 CO 0.47 -0.21 1.06 0.25 0.00 0.00 0.00 175.10 176.68 2dle h LEU 80 N 8.42 0.71 0.00 3.92 5.85 -1.84 -1.58 115.31 130.78 2dle h LEU 80 Ca -0.15 -0.74 0.00 0.00 0.84 0.00 0.00 57.88 57.83 2dle h LEU 80 Cb 1.15 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2dle h LEU 80 CO 0.27 1.58 0.00 0.61 -0.34 0.00 0.00 178.44 180.55 2dle n GLY 81 N 1.61 -1.72 0.27 3.75 0.00 -1.26 -4.63 105.19 103.20 2dle n GLY 81 Ca -0.14 0.62 0.07 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.55 1.57 -4.29 1.61 2.03 -1.26 -5.05 116.55 108.61 2dle n ASP 82 Ca 0.00 -2.78 -0.19 0.00 0.52 0.00 0.00 54.79 52.34 2dle n ASP 82 Cb 0.00 -0.36 -0.11 0.00 -0.72 0.00 0.00 41.12 39.93 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2dle s ILE 83 N -1.96 1.55 -0.16 5.18 1.01 -1.26 -5.14 121.20 120.42 2dle s ILE 83 Ca 0.23 -1.93 -0.01 0.00 0.00 0.00 0.00 60.65 58.94 2dle s ILE 83 Cb 0.20 -1.77 0.04 0.00 0.01 0.00 0.00 42.46 40.95 2dle s ILE 83 CO 0.01 -0.46 -0.03 -1.61 0.00 0.00 0.00 174.94 172.85 2dle s GLU 84 N -3.04 1.17 0.43 2.79 2.02 -1.26 -4.06 118.70 116.74 2dle s GLU 84 Ca 0.15 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 54.62 2dle s GLU 84 Cb -0.03 -1.93 0.10 0.00 0.10 0.00 0.00 34.13 32.36 2dle s GLU 84 CO 0.05 -0.47 0.59 0.41 0.02 0.00 0.00 175.26 175.86 2dle n GLY 85 N 4.94 -1.25 3.67 -1.39 0.00 -1.08 -4.98 105.19 105.10 2dle n GLY 85 Ca -0.11 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.27 4.17 -0.03 2.61 2.01 -0.91 -4.70 115.64 116.52 2dle s THR 86 Ca 0.34 1.47 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 2dle s THR 86 Cb -0.01 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 2dle s THR 86 CO 0.23 -0.07 1.47 -2.16 -0.69 0.00 0.00 174.62 173.41 2dle s PRO 87 N 2.95 4.24 -0.34 4.92 0.04 -1.26 -3.47 135.00 142.08 2dle s PRO 87 Ca 0.57 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.38 2dle s PRO 87 Cb -0.24 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.59 2dle s PRO 87 CO 0.19 -0.68 0.89 0.20 0.04 0.00 0.00 177.00 177.64 2dle s GLY 88 N 2.34 1.62 0.01 0.56 0.00 0.91 -4.82 107.32 107.94 2dle s GLY 88 Ca 0.66 -0.41 -0.05 0.00 0.00 0.00 0.00 44.72 44.92 2dle s GLY 88 CO 0.26 1.94 0.24 -1.36 0.00 0.00 0.00 173.10 174.19 2dle s PHE 89 N 3.29 3.56 -0.26 1.90 0.40 -1.26 -1.81 117.98 123.80 2dle s PHE 89 Ca 0.37 0.49 -0.08 0.00 -0.60 0.00 0.00 56.93 57.11 2dle s PHE 89 Cb -0.13 -1.93 0.12 0.00 0.51 0.00 0.00 43.02 41.60 2dle s PHE 89 CO 0.16 0.61 0.55 -1.17 0.70 0.00 0.00 175.22 176.08 2dle s LEU 90 N -1.89 -0.98 0.12 -0.37 2.96 -1.23 -4.96 118.68 112.33 2dle s LEU 90 Ca 0.28 1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 55.14 2dle s LEU 90 Cb -0.13 1.92 -0.06 0.00 0.50 0.00 0.00 46.19 48.42 2dle s LEU 90 CO 0.18 -0.23 1.08 -1.10 -1.32 0.00 0.00 176.35 174.96 2dle s GLN 91 N 2.78 4.57 0.03 1.98 -0.21 -1.26 -3.92 119.66 123.63 2dle s GLN 91 Ca -0.01 1.64 0.03 0.00 0.02 0.00 0.00 55.36 57.04 2dle s GLN 91 Cb -0.12 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.54 2dle s GLN 91 CO -0.17 0.02 -0.09 0.14 -2.12 0.00 0.00 175.29 173.07 2dle s VAL 92 N 0.23 0.67 -0.35 1.09 -7.23 -1.24 -5.08 120.40 108.50 2dle s VAL 92 Ca 0.51 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.92 2dle s VAL 92 Cb -0.27 -0.65 0.10 0.00 0.56 0.00 0.00 36.38 36.13 2dle s VAL 92 CO 0.32 -0.11 0.09 -2.28 -0.31 0.00 0.00 175.10 172.82 2dle s HIS 93 N -0.82 2.89 0.39 2.82 2.46 -1.26 -2.91 115.29 118.84 2dle s HIS 93 Ca -0.03 -2.53 -0.26 0.00 0.47 0.00 0.00 55.06 52.71 2dle s HIS 93 Cb -0.07 -2.43 -0.11 0.00 -0.13 0.00 0.00 32.58 29.84 2dle s HIS 93 CO 0.00 -0.90 1.10 0.25 -2.47 0.00 0.00 174.74 172.72 2dle n THR 94 N 4.34 2.31 -1.24 0.89 -2.24 -1.22 -4.86 114.28 112.25 2dle n THR 94 Ca 0.02 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 2dle n THR 94 Cb 0.41 -1.26 0.10 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.95 2.03 0.17 -0.78 0.04 -1.26 -0.54 135.00 132.71 2dle s PRO 95 Ca 0.61 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2dle s PRO 95 Cb -0.57 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 2dle s PRO 95 CO 0.58 -1.78 1.32 -1.25 0.04 0.00 0.00 177.00 175.92 2dle s PRO 96 N -4.91 4.37 0.15 0.56 0.04 -1.26 -1.44 135.00 132.52 2dle s PRO 96 Ca 0.62 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 2dle s PRO 96 Cb -0.17 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 2dle s PRO 96 CO 0.56 -0.30 0.99 0.54 0.04 0.00 0.00 177.00 178.83 2dle s VAL 97 N 0.45 4.25 -2.00 -0.36 0.11 -1.26 -4.91 120.40 116.68 2dle s VAL 97 Ca 0.59 1.95 0.04 0.00 -2.93 0.00 0.00 61.98 61.63 2dle s VAL 97 Cb -0.36 -4.25 0.11 0.00 -1.53 0.00 0.00 36.38 30.35 2dle s VAL 97 CO 0.35 0.34 0.69 -0.81 -3.33 0.00 0.00 175.10 172.35 2dle n PRO 98 N 2.44 0.49 -0.84 1.54 -0.04 -1.26 -4.21 135.00 133.12 2dle n PRO 98 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 2dle n PRO 98 Cb 0.48 -1.12 -0.13 0.00 -0.04 0.00 0.00 33.50 32.69 2dle n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dle n SER 99 N -0.62 4.56 0.00 3.54 2.88 -1.26 -4.65 113.62 118.07 2dle n SER 99 Ca 0.03 -2.31 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 2dle n SER 99 Cb 0.01 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 2dle n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dle n GLY 100 N 2.70 1.32 3.01 0.46 0.00 -1.26 -5.18 105.19 106.25 2dle n GLY 100 Ca 0.38 0.34 -0.26 0.00 0.00 0.00 0.00 46.02 46.49 2dle n GLY 100 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dle n PRO 101 N 0.00 -2.86 0.05 1.61 -0.04 -1.26 -5.00 135.00 127.50 2dle n PRO 101 Ca 0.00 -1.50 -0.21 0.00 -0.04 0.00 0.00 63.50 61.75 2dle n PRO 101 Cb 0.00 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 31.90 2dle n PRO 101 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dle h SER 102 N -2.49 0.50 -3.41 3.54 0.87 -2.02 -3.45 113.55 107.08 2dle h SER 102 Ca -0.35 -0.93 -0.42 0.00 -1.23 0.00 0.00 61.79 58.86 2dle h SER 102 Cb 1.08 -0.16 -0.35 0.00 -0.44 0.00 0.00 62.40 62.53 2dle h SER 102 CO 0.23 1.48 -0.77 -0.55 -0.53 0.00 0.00 176.83 176.69 2dle s SER 103 N -7.07 1.11 0.00 6.23 0.15 -1.26 -5.33 113.70 107.53 2dle s SER 103 Ca -0.14 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2dle s SER 103 Cb 0.02 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 2dle s SER 103 CO 0.83 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.80