#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 6.36 0.99 1.61 0.01 -1.26 -5.08 113.70 116.32 2dle s SER 2 Ca 0.00 0.50 -0.11 0.00 1.31 0.00 0.00 55.95 57.65 2dle s SER 2 Cb 0.00 -2.05 0.18 0.00 0.21 0.00 0.00 66.02 64.36 2dle s SER 2 CO 0.00 -0.21 1.09 -0.55 0.41 0.00 0.00 173.24 173.98 2dle s SER 3 N -3.60 2.51 0.00 2.44 0.15 -1.26 -4.97 113.70 108.97 2dle s SER 3 Ca 0.41 1.70 0.00 0.00 0.70 0.00 0.00 55.95 58.76 2dle s SER 3 Cb -0.10 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2dle s SER 3 CO 0.33 -3.28 0.00 0.61 1.20 0.00 0.00 173.24 172.10 2dle n GLY 4 N -0.13 0.24 0.90 9.45 0.00 -1.26 -4.93 105.19 109.46 2dle n GLY 4 Ca 0.07 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 2dle n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dle n SER 5 N 0.67 0.83 -0.13 1.61 7.64 -1.26 -4.91 113.62 118.06 2dle n SER 5 Ca 0.00 0.12 -0.24 0.00 1.01 0.00 0.00 58.87 59.76 2dle n SER 5 Cb 0.00 -0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 62.81 2dle n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dle n SER 6 N -3.44 1.97 -3.98 6.43 2.88 -1.26 -5.01 113.62 111.21 2dle n SER 6 Ca -0.05 0.12 -0.34 0.00 -1.33 0.00 0.00 58.87 57.28 2dle n SER 6 Cb 0.28 -0.62 0.01 0.00 -0.75 0.00 0.00 64.21 63.13 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 -0.56 3.44 0.46 0.00 -1.26 -4.91 105.19 104.09 2dle n GLY 7 Ca -0.50 0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.95 -1.51 -0.26 4.61 0.00 -1.26 -5.09 121.76 114.30 2dle s ALA 8 Ca 0.33 0.85 -0.42 0.00 0.00 0.00 0.00 51.96 52.72 2dle s ALA 8 Cb -0.19 0.28 -0.18 0.00 0.00 0.00 0.00 23.12 23.03 2dle s ALA 8 CO 0.70 -0.47 1.50 -0.89 0.00 0.00 0.00 175.76 176.60 2dle n ILE 9 N 0.56 0.09 -4.05 0.00 5.41 -1.26 -4.86 119.36 115.24 2dle n ILE 9 Ca -0.19 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.42 2dle n ILE 9 Cb 0.59 -0.64 -0.12 0.00 -0.71 0.00 0.00 39.64 38.76 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 2.21 0.42 -0.11 0.38 0.74 -1.26 -2.39 119.66 119.65 2dle s GLN 10 Ca 0.98 -0.53 -0.03 0.00 0.05 0.00 0.00 55.36 55.83 2dle s GLN 10 Cb -1.26 -0.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.60 2dle s GLN 10 CO 0.68 0.04 -0.01 0.08 -0.55 0.00 0.00 175.29 175.53 2dle s VAL 11 N -0.98 4.21 0.35 1.34 1.01 -1.23 -3.25 120.40 121.86 2dle s VAL 11 Ca -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 2dle s VAL 11 Cb -0.07 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2dle s VAL 11 CO -0.00 0.56 0.51 2.22 0.00 0.00 0.00 175.10 178.39 2dle n PHE 12 N 2.68 -1.52 -2.03 5.22 -1.74 -0.57 -4.64 117.46 114.86 2dle n PHE 12 Ca -0.18 -2.29 -0.17 0.00 -0.56 0.00 0.00 57.45 54.25 2dle n PHE 12 Cb 0.53 0.58 -0.03 0.00 1.52 0.00 0.00 39.48 42.08 2dle n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 2dle n ASP 13 N -1.62 -4.99 -4.70 5.98 9.92 -1.26 -0.01 116.55 119.87 2dle n ASP 13 Ca -0.00 0.13 -0.42 0.00 -0.53 0.00 0.00 54.79 53.97 2dle n ASP 13 Cb 0.58 -4.05 -0.03 0.00 -0.64 0.00 0.00 41.12 36.98 2dle n ASP 13 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dle s VAL 14 N -2.77 3.35 0.13 2.53 1.01 -1.26 -4.25 120.40 119.13 2dle s VAL 14 Ca 0.00 0.88 -0.15 0.00 0.00 0.00 0.00 61.98 62.70 2dle s VAL 14 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.85 2dle s VAL 14 CO 0.00 0.03 0.38 -0.89 0.00 0.00 0.00 175.10 174.62 2dle s THR 15 N 1.81 0.07 -0.79 3.92 2.01 -0.71 -4.99 115.64 116.95 2dle s THR 15 Ca 0.66 -0.69 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 2dle s THR 15 Cb -0.36 -1.24 0.12 0.00 0.01 0.00 0.00 72.50 71.03 2dle s THR 15 CO 0.29 -0.34 0.98 0.00 -0.69 0.00 0.00 174.62 174.87 2dle s ALA 16 N -3.82 3.37 0.53 7.40 0.00 -1.26 -2.26 121.76 125.71 2dle s ALA 16 Ca 0.04 -2.49 0.24 0.00 0.00 0.00 0.00 51.96 49.75 2dle s ALA 16 Cb 0.02 -3.87 1.37 0.00 0.00 0.00 0.00 23.12 20.64 2dle s ALA 16 CO -0.11 -2.76 2.02 -0.24 0.00 0.00 0.00 175.76 174.66 2dle h VAL 17 N 5.80 0.77 -1.81 0.00 3.04 -1.86 -3.43 116.25 118.76 2dle h VAL 17 Ca -0.04 -0.01 0.01 0.00 -1.01 0.00 0.00 66.70 65.65 2dle h VAL 17 Cb 1.05 0.76 -0.23 0.00 -2.01 0.00 0.00 31.29 30.86 2dle h VAL 17 CO 1.10 0.00 0.29 0.21 -1.01 0.00 0.00 177.57 178.16 2dle s ASN 18 N -6.33 -0.59 -0.08 3.17 3.84 -1.18 -5.00 114.94 108.76 2dle s ASN 18 Ca -0.05 1.06 -0.01 0.00 0.21 0.00 0.00 52.86 54.06 2dle s ASN 18 Cb 0.19 1.04 0.03 0.00 -0.55 0.00 0.00 41.25 41.96 2dle s ASN 18 CO 0.72 -0.26 -0.01 -0.63 -2.79 0.00 0.00 177.10 174.13 2dle s ILE 19 N 0.01 0.50 0.27 -5.21 1.01 -1.26 -1.13 121.20 115.39 2dle s ILE 19 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.68 2dle s ILE 19 Cb -0.04 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.80 2dle s ILE 19 CO -0.01 0.27 0.09 -1.20 0.00 0.00 0.00 174.94 174.09 2dle n SER 20 N 5.11 2.37 0.00 3.58 7.64 0.25 -4.80 113.62 127.78 2dle n SER 20 Ca -0.08 -2.07 -0.12 0.00 1.01 0.00 0.00 58.87 57.61 2dle n SER 20 Cb 0.50 0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.96 -0.10 -0.46 -0.43 0.00 -1.95 -3.36 119.26 113.92 2dle h ALA 21 Ca -0.20 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 2dle h ALA 21 Cb 0.65 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.28 2dle h ALA 21 CO 0.33 -0.21 -0.29 0.25 0.00 0.00 0.00 179.25 179.32 2dle n THR 22 N -4.83 2.59 -3.61 0.00 -2.24 -1.26 -3.54 114.28 101.39 2dle n THR 22 Ca -0.08 -3.31 -0.05 0.00 -2.27 0.00 0.00 64.05 58.34 2dle n THR 22 Cb 0.30 -0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.93 -0.14 -0.29 3.42 1.04 -1.25 -1.75 113.70 111.80 2dle s SER 23 Ca 0.47 0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 2dle s SER 23 Cb 0.41 0.13 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2dle s SER 23 CO -0.01 -0.18 0.86 -1.48 0.98 0.00 0.00 173.24 173.42 2dle s LEU 24 N -1.56 -0.70 -0.10 2.42 0.05 -1.15 0.87 118.68 118.52 2dle s LEU 24 Ca 0.07 1.10 -0.08 0.00 0.05 0.00 0.00 54.13 55.27 2dle s LEU 24 Cb -0.01 1.99 -0.04 0.00 -2.05 0.00 0.00 46.19 46.08 2dle s LEU 24 CO -0.05 -0.17 0.18 -0.89 -0.55 0.00 0.00 176.35 174.88 2dle s THR 25 N 1.59 5.43 0.07 5.48 2.01 -0.29 -0.65 115.64 129.29 2dle s THR 25 Ca -0.09 0.28 0.10 0.00 0.31 0.00 0.00 61.69 62.29 2dle s THR 25 Cb -0.05 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.98 2dle s THR 25 CO -0.17 0.60 -0.26 -0.22 -0.69 0.00 0.00 174.62 173.88 2dle s LEU 26 N -1.09 2.22 -0.02 4.42 2.96 -1.11 -2.86 118.68 123.19 2dle s LEU 26 Ca 0.17 -0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2dle s LEU 26 Cb -0.13 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.36 2dle s LEU 26 CO 0.06 0.22 0.05 0.27 -1.32 0.00 0.00 176.35 175.63 2dle s ILE 27 N -0.90 -0.03 0.17 6.68 -4.36 -0.96 -2.76 121.20 119.05 2dle s ILE 27 Ca 0.12 0.11 0.02 0.00 -0.26 0.00 0.00 60.65 60.64 2dle s ILE 27 Cb -0.10 -0.10 -0.05 0.00 1.25 0.00 0.00 42.46 43.47 2dle s ILE 27 CO 0.03 0.04 -0.00 -1.66 0.24 0.00 0.00 174.94 173.60 2dle s TRP 28 N 0.59 1.21 -0.12 1.37 -2.14 -1.09 -1.75 118.94 117.01 2dle s TRP 28 Ca -0.05 -1.01 0.01 0.00 2.66 0.00 0.00 56.10 57.71 2dle s TRP 28 Cb -0.07 -0.69 -0.01 0.00 -3.10 0.00 0.00 33.47 29.60 2dle s TRP 28 CO -0.02 -0.20 -0.16 0.21 -2.66 0.00 0.00 176.95 174.11 2dle s LYS 29 N -3.91 3.26 0.01 3.25 2.20 0.99 -4.89 119.74 120.64 2dle s LYS 29 Ca 0.24 -0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 55.07 2dle s LYS 29 Cb 0.06 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 2dle s LYS 29 CO 0.04 0.22 0.22 0.08 -0.36 0.00 0.00 175.35 175.54 2dle s VAL 30 N 0.31 5.39 -0.61 4.02 1.01 -1.26 -1.51 120.40 127.74 2dle s VAL 30 Ca -0.13 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.49 2dle s VAL 30 Cb -0.16 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2dle s VAL 30 CO 0.07 0.31 1.25 -0.55 0.00 0.00 0.00 175.10 176.17 2dle s SER 31 N -1.95 6.34 -0.76 3.32 0.15 -1.20 -4.88 113.70 114.71 2dle s SER 31 Ca 0.29 0.01 -0.14 0.00 0.70 0.00 0.00 55.95 56.81 2dle s SER 31 Cb -0.13 -2.55 -0.22 0.00 -1.71 0.00 0.00 66.02 61.41 2dle s SER 31 CO 0.19 -1.60 1.80 -0.67 1.20 0.00 0.00 173.24 174.17 2dle n ASP 32 N 8.82 -0.59 -4.95 5.45 -0.08 -1.26 -4.84 116.55 119.10 2dle n ASP 32 Ca 0.08 -0.20 -0.23 0.00 -1.51 0.00 0.00 54.79 52.93 2dle n ASP 32 Cb 0.49 -0.52 0.03 0.00 2.34 0.00 0.00 41.12 43.46 2dle n ASP 32 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 2dle s ASN 33 N 2.72 5.54 0.29 1.67 2.47 -1.26 -4.93 114.94 121.43 2dle s ASN 33 Ca 1.02 0.25 0.17 0.00 0.42 0.00 0.00 52.86 54.72 2dle s ASN 33 Cb -0.77 -1.29 1.03 0.00 -1.45 0.00 0.00 41.25 38.77 2dle s ASN 33 CO 0.41 -0.96 1.19 1.21 -3.72 0.00 0.00 177.10 175.23 2dle n GLU 34 N -2.29 -0.04 -3.70 0.43 0.00 -1.26 -4.08 120.64 109.70 2dle n GLU 34 Ca 0.05 1.03 -0.12 0.00 0.00 0.00 0.00 57.16 58.12 2dle n GLU 34 Cb 0.59 -1.87 -0.12 0.00 0.00 0.00 0.00 31.44 30.04 2dle n GLU 34 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2dle s SER 35 N -4.60 -0.23 -0.33 4.31 0.01 -1.26 -5.03 113.70 106.57 2dle s SER 35 Ca -0.07 0.71 0.07 0.00 1.31 0.00 0.00 55.95 57.98 2dle s SER 35 Cb 0.25 0.69 0.49 0.00 0.21 0.00 0.00 66.02 67.66 2dle s SER 35 CO 0.59 -0.20 1.46 -1.54 0.41 0.00 0.00 173.24 173.97 2dle n SER 36 N 4.58 3.43 -4.87 2.44 3.41 -1.26 -5.01 113.62 116.34 2dle n SER 36 Ca -0.19 -3.79 -0.33 0.00 -0.26 0.00 0.00 58.87 54.29 2dle n SER 36 Cb 0.53 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.70 6.20 -1.62 4.04 0.15 -1.26 -4.32 113.70 114.19 2dle s SER 37 Ca 0.48 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2dle s SER 37 Cb 0.42 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2dle s SER 37 CO 0.00 0.27 0.00 0.59 1.20 0.00 0.00 173.24 175.30 2dle n ASN 38 N 1.06 -5.25 -4.70 5.45 4.13 -1.26 -4.95 115.26 109.73 2dle n ASN 38 Ca -0.12 0.07 -0.42 0.00 1.68 0.00 0.00 54.58 55.79 2dle n ASN 38 Cb 0.53 -4.33 -0.03 0.00 -1.54 0.00 0.00 39.78 34.41 2dle n ASN 38 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2dle s TYR 39 N -2.86 3.58 0.33 3.10 1.51 -1.26 -4.10 117.35 117.65 2dle s TYR 39 Ca 0.00 1.63 0.08 0.00 -1.01 0.00 0.00 57.07 57.77 2dle s TYR 39 Cb 0.00 -3.16 -0.03 0.00 -0.11 0.00 0.00 41.96 38.65 2dle s TYR 39 CO 0.00 -0.17 0.21 0.99 -1.11 0.00 0.00 175.55 175.47 2dle s THR 40 N 1.44 3.40 -0.14 -0.71 2.01 0.34 -4.51 115.64 117.47 2dle s THR 40 Ca 0.51 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.93 2dle s THR 40 Cb -0.20 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.28 2dle s THR 40 CO 0.24 -0.20 0.21 -0.31 -0.69 0.00 0.00 174.62 173.86 2dle s TYR 41 N -2.34 -0.27 -0.52 4.92 2.02 0.18 -1.51 117.35 119.83 2dle s TYR 41 Ca 0.38 0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 57.46 2dle s TYR 41 Cb -0.05 -0.25 0.11 0.00 -0.40 0.00 0.00 41.96 41.37 2dle s TYR 41 CO 0.24 -0.42 0.50 0.15 -1.57 0.00 0.00 175.55 174.45 2dle s LYS 42 N 2.34 3.00 -0.60 -0.62 1.02 -0.99 -1.93 119.74 121.96 2dle s LYS 42 Ca 0.04 -1.50 -0.22 0.00 0.02 0.00 0.00 55.97 54.30 2dle s LYS 42 Cb -0.13 -4.23 0.06 0.00 -0.52 0.00 0.00 37.83 33.00 2dle s LYS 42 CO -0.09 -1.26 0.90 0.42 -0.92 0.00 0.00 175.35 174.40 2dle s ILE 43 N 1.81 4.43 -0.42 2.17 1.09 -1.01 -3.19 121.20 126.09 2dle s ILE 43 Ca 0.05 -0.19 -0.20 0.00 -1.10 0.00 0.00 60.65 59.21 2dle s ILE 43 Cb -0.27 -4.58 0.02 0.00 -1.06 0.00 0.00 42.46 36.57 2dle s ILE 43 CO 0.05 -1.25 0.63 -2.28 -0.10 0.00 0.00 174.94 171.99 2dle s HIS 44 N 3.79 3.09 -0.16 3.97 2.46 -1.00 -1.09 115.29 126.35 2dle s HIS 44 Ca 0.23 0.03 -0.13 0.00 0.47 0.00 0.00 55.06 55.66 2dle s HIS 44 Cb -0.16 -3.27 -0.05 0.00 -0.13 0.00 0.00 32.58 28.97 2dle s HIS 44 CO 0.13 -0.80 0.26 0.08 -2.47 0.00 0.00 174.74 171.94 2dle s VAL 45 N 2.76 5.32 -0.27 0.89 1.01 -0.85 -2.80 120.40 126.46 2dle s VAL 45 Ca 0.22 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2dle s VAL 45 Cb -0.14 -3.60 0.07 0.00 0.00 0.00 0.00 36.38 32.71 2dle s VAL 45 CO 0.18 0.41 -0.02 0.00 0.00 0.00 0.00 175.10 175.67 2dle s ALA 46 N 0.35 2.18 0.02 5.51 0.00 -1.01 -0.34 121.76 128.47 2dle s ALA 46 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.41 2dle s ALA 46 Cb -0.13 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.40 2dle s ALA 46 CO 0.03 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.84 2dle n GLY 47 N 4.58 1.89 3.62 0.00 0.00 0.28 -2.31 105.19 113.24 2dle n GLY 47 Ca -0.08 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2dle n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dle s GLU 48 N 4.07 3.98 -1.52 1.61 0.41 -1.26 -4.03 118.70 121.96 2dle s GLU 48 Ca 0.00 0.64 -0.15 0.00 -0.41 0.00 0.00 54.97 55.05 2dle s GLU 48 Cb 0.00 -3.73 0.12 0.00 -1.78 0.00 0.00 34.13 28.74 2dle s GLU 48 CO 0.00 -0.70 0.72 0.25 -0.49 0.00 0.00 175.26 175.04 2dle n THR 49 N 5.56 -1.15 -3.59 3.63 -2.24 -1.26 -4.89 114.28 110.34 2dle n THR 49 Ca 0.04 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.78 2dle n THR 49 Cb 0.48 -1.89 -0.02 0.00 -2.10 0.00 0.00 70.33 66.80 2dle n THR 49 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dle s ASP 50 N -3.08 -0.15 0.20 3.42 -1.08 -1.26 -5.19 116.67 109.54 2dle s ASP 50 Ca 0.61 -0.01 -0.22 0.00 -0.52 0.00 0.00 52.55 52.41 2dle s ASP 50 Cb -0.33 0.16 0.05 0.00 -1.46 0.00 0.00 42.92 41.35 2dle s ASP 50 CO 0.75 -0.27 0.66 -0.55 0.52 0.00 0.00 175.17 176.29 2dle s SER 51 N -2.27 -0.43 0.24 -0.34 0.15 -1.26 -0.55 113.70 109.24 2dle s SER 51 Ca 0.09 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 2dle s SER 51 Cb -0.01 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2dle s SER 51 CO -0.05 -1.11 0.24 -0.44 1.20 0.00 0.00 173.24 173.09 2dle s SER 52 N -2.81 0.44 -0.03 5.45 0.01 0.53 -4.98 113.70 112.30 2dle s SER 52 Ca 0.05 -1.39 0.03 0.00 1.31 0.00 0.00 55.95 55.95 2dle s SER 52 Cb -0.03 0.47 0.01 0.00 0.21 0.00 0.00 66.02 66.68 2dle s SER 52 CO -0.05 -0.97 -0.10 0.54 0.41 0.00 0.00 173.24 173.07 2dle s ASN 53 N -3.18 1.37 0.14 2.44 4.22 -1.26 -2.00 114.94 116.66 2dle s ASN 53 Ca 0.36 -0.22 0.09 0.00 -2.14 0.00 0.00 52.86 50.96 2dle s ASN 53 Cb 0.04 -0.44 -0.04 0.00 1.28 0.00 0.00 41.25 42.10 2dle s ASN 53 CO 0.15 0.06 -0.18 -0.22 -2.04 0.00 0.00 177.10 174.87 2dle s LEU 54 N 0.31 2.69 -0.23 3.54 2.96 -0.25 -4.99 118.68 122.70 2dle s LEU 54 Ca -0.06 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 2dle s LEU 54 Cb -0.10 -1.50 0.08 0.00 0.50 0.00 0.00 46.19 45.17 2dle s LEU 54 CO 0.01 0.16 0.10 0.54 -1.32 0.00 0.00 176.35 175.84 2dle s ASN 55 N -2.31 3.05 0.08 3.68 2.20 -1.26 -2.40 114.94 117.98 2dle s ASN 55 Ca 0.19 -1.00 0.01 0.00 -0.94 0.00 0.00 52.86 51.12 2dle s ASN 55 Cb -0.10 -0.39 -0.04 0.00 -2.00 0.00 0.00 41.25 38.72 2dle s ASN 55 CO 0.11 -0.38 -0.06 0.68 -2.94 0.00 0.00 177.10 174.50 2dle s VAL 56 N 2.03 0.59 -1.13 3.54 -7.23 -0.81 -5.00 120.40 112.39 2dle s VAL 56 Ca 0.05 -1.74 0.19 0.00 -1.81 0.00 0.00 61.98 58.67 2dle s VAL 56 Cb -0.16 -1.44 -0.15 0.00 0.56 0.00 0.00 36.38 35.19 2dle s VAL 56 CO -0.21 -0.80 0.84 -1.54 -0.31 0.00 0.00 175.10 173.08 2dle n SER 57 N 0.28 1.15 -4.93 4.85 3.41 -1.26 0.50 113.62 117.62 2dle n SER 57 Ca -0.15 -1.07 -0.27 0.00 -0.26 0.00 0.00 58.87 57.12 2dle n SER 57 Cb 0.60 0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.37 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 -2.60 3.53 0.00 4.33 1.03 -1.26 -4.65 118.70 119.07 2dle s GLU 58 Ca 0.10 -0.32 0.09 0.00 0.03 0.00 0.00 54.97 54.87 2dle s GLU 58 Cb 0.15 -2.82 0.55 0.00 -0.80 0.00 0.00 34.13 31.20 2dle s GLU 58 CO 0.69 0.39 0.99 -0.35 -1.33 0.00 0.00 175.26 175.64 2dle n PRO 59 N -0.69 0.49 -4.21 -4.83 -0.04 -1.26 -4.69 135.00 119.77 2dle n PRO 59 Ca -0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.21 2dle n PRO 59 Cb 0.54 -1.29 -0.12 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.93 -0.30 0.54 1.70 -1.26 -2.68 118.95 115.88 2dle s ARG 60 Ca 0.14 -1.04 -0.12 0.00 -0.47 0.00 0.00 55.73 54.24 2dle s ARG 60 Cb 0.06 -1.02 0.14 0.00 -0.57 0.00 0.00 34.95 33.56 2dle s ARG 60 CO 0.11 0.23 0.77 0.00 -1.08 0.00 0.00 175.30 175.33 2dle s ALA 61 N -1.27 -2.28 0.08 7.88 0.00 -1.11 -4.92 121.76 120.13 2dle s ALA 61 Ca 0.01 2.24 -0.15 0.00 0.00 0.00 0.00 51.96 54.07 2dle s ALA 61 Cb -0.10 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 2dle s ALA 61 CO 0.03 -0.94 0.49 0.08 0.00 0.00 0.00 175.76 175.43 2dle s VAL 62 N 2.74 4.91 -0.45 0.00 1.01 -1.26 -2.77 120.40 124.57 2dle s VAL 62 Ca -0.05 0.87 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 2dle s VAL 62 Cb -0.10 -3.76 0.12 0.00 0.00 0.00 0.00 36.38 32.64 2dle s VAL 62 CO -0.18 0.42 0.29 -0.63 0.00 0.00 0.00 175.10 174.99 2dle s ILE 63 N -1.26 3.79 1.24 2.22 -1.09 0.18 -4.93 121.20 121.34 2dle s ILE 63 Ca 0.31 -1.97 -0.20 0.00 -2.23 0.00 0.00 60.65 56.56 2dle s ILE 63 Cb -0.16 -3.53 0.30 0.00 -1.58 0.00 0.00 42.46 37.48 2dle s ILE 63 CO 0.17 -0.75 1.11 -2.16 -1.23 0.00 0.00 174.94 172.09 2dle s PRO 64 N 1.19 -1.50 -0.73 2.79 0.04 -1.26 -2.91 135.00 132.62 2dle s PRO 64 Ca 0.07 -0.17 -0.12 0.00 0.04 0.00 0.00 61.00 60.82 2dle s PRO 64 Cb -0.24 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2dle s PRO 64 CO -0.03 -3.88 0.46 0.41 0.04 0.00 0.00 177.00 174.00 2dle n GLY 65 N -0.93 -0.78 3.96 0.56 0.00 -0.71 -4.76 105.19 102.53 2dle n GLY 65 Ca 0.15 0.34 -0.22 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 -5.42 4.12 -0.37 0.99 1.43 -1.20 -4.95 118.68 113.27 2dle s LEU 66 Ca 0.17 0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 2dle s LEU 66 Cb -0.10 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2dle s LEU 66 CO 0.67 -0.24 0.43 -0.60 0.23 0.00 0.00 176.35 176.84 2dle s ARG 67 N -4.16 3.41 0.51 1.70 6.06 -1.26 -4.36 118.95 120.85 2dle s ARG 67 Ca 0.39 -0.48 -0.21 0.00 -2.50 0.00 0.00 55.73 52.93 2dle s ARG 67 Cb -0.09 -3.87 -0.06 0.00 0.06 0.00 0.00 34.95 30.99 2dle s ARG 67 CO 0.32 -0.68 1.18 -1.12 -2.50 0.00 0.00 175.30 172.51 2dle s SER 68 N 1.78 5.83 -1.24 -2.12 0.01 -1.23 -3.54 113.70 113.19 2dle s SER 68 Ca 0.14 2.34 -0.04 0.00 1.31 0.00 0.00 55.95 59.69 2dle s SER 68 Cb -0.16 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 2dle s SER 68 CO 0.13 -1.15 0.76 -0.24 0.41 0.00 0.00 173.24 173.15 2dle n SER 69 N -0.89 -2.64 -3.71 2.44 2.88 -1.21 -4.91 113.62 105.58 2dle n SER 69 Ca 0.09 -0.83 -0.14 0.00 -1.33 0.00 0.00 58.87 56.67 2dle n SER 69 Cb 0.49 -4.17 -0.09 0.00 -0.75 0.00 0.00 64.21 59.69 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 -3.58 0.01 0.48 2.46 2.01 -1.23 -5.02 115.64 110.76 2dle s THR 70 Ca 0.14 -0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.86 2dle s THR 70 Cb -0.04 -0.66 -0.07 0.00 0.01 0.00 0.00 72.50 71.74 2dle s THR 70 CO 0.81 -0.04 1.12 0.12 -0.69 0.00 0.00 174.62 175.94 2dle s PHE 71 N -0.08 2.89 -0.01 4.92 5.36 -1.26 -3.74 117.98 126.06 2dle s PHE 71 Ca -0.03 1.56 -0.05 0.00 -0.96 0.00 0.00 56.93 57.45 2dle s PHE 71 Cb -0.03 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.37 2dle s PHE 71 CO 0.02 -1.31 0.11 0.71 -1.46 0.00 0.00 175.22 173.28 2dle s TYR 72 N -1.68 0.01 -0.30 10.12 2.02 -1.18 -4.47 117.35 121.87 2dle s TYR 72 Ca 0.66 -0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.34 2dle s TYR 72 Cb -0.25 -0.04 0.09 0.00 -0.40 0.00 0.00 41.96 41.36 2dle s TYR 72 CO 0.29 -0.20 0.04 -0.80 -1.57 0.00 0.00 175.55 173.31 2dle s ASN 73 N -0.90 4.26 0.02 2.29 0.01 -0.98 -3.45 114.94 116.19 2dle s ASN 73 Ca -0.10 -1.70 -0.04 0.00 -0.71 0.00 0.00 52.86 50.31 2dle s ASN 73 Cb -0.06 -1.24 -0.04 0.00 0.41 0.00 0.00 41.25 40.31 2dle s ASN 73 CO 0.01 -0.35 0.23 -0.63 -1.51 0.00 0.00 177.10 174.85 2dle s ILE 74 N 1.28 5.36 -0.09 0.60 1.01 -1.25 -2.39 121.20 125.73 2dle s ILE 74 Ca 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2dle s ILE 74 Cb -0.18 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.76 2dle s ILE 74 CO -0.13 0.29 0.09 -0.89 0.00 0.00 0.00 174.94 174.30 2dle s THR 75 N -1.37 -0.14 -0.56 2.92 2.01 -1.12 -2.68 115.64 114.70 2dle s THR 75 Ca 0.29 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.38 2dle s THR 75 Cb -0.13 -0.31 0.14 0.00 0.01 0.00 0.00 72.50 72.21 2dle s THR 75 CO 0.19 0.03 0.51 -0.69 -0.69 0.00 0.00 174.62 173.98 2dle s VAL 76 N 2.19 5.17 -0.29 3.82 1.01 0.71 -2.37 120.40 130.66 2dle s VAL 76 Ca 0.04 -1.60 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 2dle s VAL 76 Cb -0.13 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 2dle s VAL 76 CO -0.06 -0.88 0.16 0.00 0.00 0.00 0.00 175.10 174.33 2dle s PRO 78 N 1.69 3.54 -0.25 0.00 0.04 -1.26 -2.35 135.00 136.41 2dle s PRO 78 Ca 0.06 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2dle s PRO 78 Cb -0.16 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.33 2dle s PRO 78 CO 0.08 -0.71 0.38 0.08 0.04 0.00 0.00 177.00 176.87 2dle s VAL 79 N -1.67 -0.60 -0.27 -0.36 1.01 -0.57 -2.52 120.40 115.43 2dle s VAL 79 Ca 0.69 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2dle s VAL 79 Cb -0.26 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2dle s VAL 79 CO 0.30 -0.16 2.87 -0.11 0.00 0.00 0.00 175.10 178.00 2dle n LEU 80 N 5.36 6.03 0.00 3.92 0.00 -0.72 -0.50 117.00 131.09 2dle n LEU 80 Ca -0.03 -3.58 0.00 0.00 0.00 0.00 0.00 56.01 52.40 2dle n LEU 80 Cb 0.50 -1.26 0.00 0.00 0.00 0.00 0.00 43.42 42.66 2dle n LEU 80 CO 0.05 1.60 0.00 0.61 0.00 0.00 0.00 177.39 179.65 2dle n GLY 81 N 1.32 1.91 0.00 -3.96 0.00 -1.26 -4.25 105.19 98.96 2dle n GLY 81 Ca 0.41 -0.63 0.00 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 3.67 3.06 -4.87 1.61 2.03 -1.26 -5.04 116.55 115.75 2dle n ASP 82 Ca 0.00 -0.14 -0.34 0.00 0.52 0.00 0.00 54.79 54.83 2dle n ASP 82 Cb 0.00 0.89 -0.05 0.00 -0.72 0.00 0.00 41.12 41.23 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 -1.50 5.01 0.08 5.18 1.01 -1.26 -5.10 121.20 124.62 2dle s ILE 83 Ca 0.00 0.49 0.08 0.00 0.00 0.00 0.00 60.65 61.22 2dle s ILE 83 Cb 0.00 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2dle s ILE 83 CO 0.00 0.16 -0.20 -1.61 0.00 0.00 0.00 174.94 173.29 2dle s GLU 84 N -2.23 1.19 0.00 2.79 2.02 -1.26 -1.75 118.70 119.47 2dle s GLU 84 Ca 0.38 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 54.30 2dle s GLU 84 Cb -0.13 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.70 2dle s GLU 84 CO 0.20 0.34 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2dle n GLY 85 N 1.35 3.89 3.66 -1.39 0.00 -1.05 -4.89 105.19 106.77 2dle n GLY 85 Ca -0.19 -1.67 -0.37 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 4.26 5.32 0.09 2.61 2.01 -1.01 -4.83 115.64 124.08 2dle s THR 86 Ca 0.00 0.33 -0.31 0.00 0.31 0.00 0.00 61.69 62.02 2dle s THR 86 Cb 0.00 -3.56 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 2dle s THR 86 CO 0.00 0.32 1.39 -2.16 -0.69 0.00 0.00 174.62 173.48 2dle s PRO 87 N 1.11 4.32 -0.35 4.92 0.04 -1.26 -3.49 135.00 140.29 2dle s PRO 87 Ca 0.11 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 2dle s PRO 87 Cb -0.14 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 2dle s PRO 87 CO 0.05 -0.46 0.59 0.20 0.04 0.00 0.00 177.00 177.42 2dle s GLY 88 N 1.30 1.78 0.04 0.56 0.00 0.65 -4.83 107.32 106.82 2dle s GLY 88 Ca 0.64 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 44.42 2dle s GLY 88 CO 0.29 1.41 0.28 -1.36 0.00 0.00 0.00 173.10 173.72 2dle s PHE 89 N 2.58 3.55 -0.25 1.90 0.40 -1.26 -0.20 117.98 124.70 2dle s PHE 89 Ca 0.22 0.52 -0.07 0.00 -0.60 0.00 0.00 56.93 57.01 2dle s PHE 89 Cb -0.15 -1.96 0.12 0.00 0.51 0.00 0.00 43.02 41.54 2dle s PHE 89 CO 0.14 0.58 0.51 -1.17 0.70 0.00 0.00 175.22 175.97 2dle s LEU 90 N -2.04 -0.90 0.11 -0.37 2.96 -1.09 -4.95 118.68 112.40 2dle s LEU 90 Ca 0.31 1.06 -0.30 0.00 -0.22 0.00 0.00 54.13 54.98 2dle s LEU 90 Cb -0.13 1.73 -0.06 0.00 0.50 0.00 0.00 46.19 48.23 2dle s LEU 90 CO 0.19 -0.24 1.09 -1.10 -1.32 0.00 0.00 176.35 174.97 2dle s GLN 91 N 2.73 4.56 0.05 1.98 -0.21 -1.26 -3.74 119.66 123.77 2dle s GLN 91 Ca 0.02 1.65 0.03 0.00 0.02 0.00 0.00 55.36 57.08 2dle s GLN 91 Cb -0.13 -3.34 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 2dle s GLN 91 CO -0.16 -0.01 -0.10 0.14 -2.12 0.00 0.00 175.29 173.04 2dle s VAL 92 N 0.32 0.76 -0.29 1.09 -7.23 -1.22 -5.02 120.40 108.80 2dle s VAL 92 Ca 0.52 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 59.53 2dle s VAL 92 Cb -0.27 -0.78 0.09 0.00 0.56 0.00 0.00 36.38 35.98 2dle s VAL 92 CO 0.32 -0.31 0.08 -1.00 -0.31 0.00 0.00 175.10 173.87 2dle s HIS 93 N -1.32 1.68 0.45 2.82 3.76 -1.26 -3.11 115.29 118.31 2dle s HIS 93 Ca -0.07 -1.63 -0.23 0.00 -0.15 0.00 0.00 55.06 52.98 2dle s HIS 93 Cb -0.10 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 31.86 2dle s HIS 93 CO 0.01 -0.84 0.87 0.25 -0.85 0.00 0.00 174.74 174.19 2dle n THR 94 N 4.86 2.45 -2.26 1.30 -2.24 -1.25 -4.93 114.28 112.22 2dle n THR 94 Ca -0.03 -0.50 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 2dle n THR 94 Cb 0.43 -0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 2dle n THR 94 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dle s PRO 95 N -2.02 3.61 -0.13 -0.78 0.04 -1.26 -3.45 135.00 131.01 2dle s PRO 95 Ca 0.65 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 2dle s PRO 95 Cb -0.54 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2dle s PRO 95 CO 0.56 -0.66 1.55 -1.25 0.04 0.00 0.00 177.00 177.23 2dle s PRO 96 N -2.91 4.09 -0.23 0.56 0.04 -1.26 -3.33 135.00 131.96 2dle s PRO 96 Ca 0.67 1.91 -0.43 0.00 0.04 0.00 0.00 61.00 63.19 2dle s PRO 96 Cb -0.27 -3.95 -0.19 0.00 0.04 0.00 0.00 34.50 30.14 2dle s PRO 96 CO 0.32 -0.94 1.39 0.28 0.04 0.00 0.00 177.00 178.09 2dle n VAL 97 N 5.71 0.03 0.98 -0.36 0.31 -1.26 -4.76 118.33 118.98 2dle n VAL 97 Ca 0.17 -0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.54 2dle n VAL 97 Cb 0.44 -0.42 0.31 0.00 -0.91 0.00 0.00 33.84 33.26 2dle n VAL 97 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2dle n PRO 98 N 3.05 0.49 -0.26 5.55 -0.04 -1.26 -3.85 135.00 138.67 2dle n PRO 98 Ca 0.25 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2dle n PRO 98 Cb 0.04 -1.33 0.10 0.00 -0.04 0.00 0.00 33.50 32.27 2dle n PRO 98 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2dle h SER 99 N 0.00 -0.65 0.00 3.54 0.02 -1.98 -3.46 113.55 111.02 2dle h SER 99 Ca 0.00 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2dle h SER 99 Cb 0.00 0.45 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2dle h SER 99 CO 0.00 -0.24 0.00 0.61 -1.14 0.00 0.00 176.83 176.06 2dle n GLY 100 N -1.48 0.75 0.00 -3.77 0.00 -1.25 -4.99 105.19 94.45 2dle n GLY 100 Ca 0.11 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.15 0.10 -3.95 1.61 -0.04 -1.26 -4.50 135.00 126.80 2dle n PRO 101 Ca 0.00 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 2dle n PRO 101 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 2dle n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dle s SER 102 N -2.79 4.43 0.23 3.54 0.15 -1.26 -5.00 113.70 113.00 2dle s SER 102 Ca 0.10 -0.97 -0.08 0.00 0.70 0.00 0.00 55.95 55.70 2dle s SER 102 Cb 0.10 -1.67 0.38 0.00 -1.71 0.00 0.00 66.02 63.12 2dle s SER 102 CO 0.24 -0.16 1.67 0.28 1.20 0.00 0.00 173.24 176.48 2dle h SER 103 N 8.00 -0.12 0.00 5.45 0.02 -2.00 -3.51 113.55 121.39 2dle h SER 103 Ca -0.30 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2dle h SER 103 Cb 1.10 0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2dle h SER 103 CO 0.56 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.79