#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 3.31 -0.84 1.61 1.04 -1.26 -5.07 113.70 112.48 2dle s SER 2 Ca 0.00 -0.90 -0.11 0.00 0.48 0.00 0.00 55.95 55.42 2dle s SER 2 Cb 0.00 -1.05 0.22 0.00 0.10 0.00 0.00 66.02 65.29 2dle s SER 2 CO 0.00 -0.20 0.77 -0.44 0.98 0.00 0.00 173.24 174.35 2dle s SER 3 N 1.52 6.57 -0.41 7.02 0.01 -1.26 -4.82 113.70 122.33 2dle s SER 3 Ca -0.02 -2.91 0.10 0.00 1.31 0.00 0.00 55.95 54.42 2dle s SER 3 Cb -0.17 -2.14 0.37 0.00 0.21 0.00 0.00 66.02 64.29 2dle s SER 3 CO -0.07 -0.48 1.10 0.61 0.41 0.00 0.00 173.24 174.81 2dle n GLY 4 N 3.61 1.50 0.46 3.44 0.00 -1.26 -5.01 105.19 107.93 2dle n GLY 4 Ca 0.15 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 2dle n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dle h SER 5 N 2.70 -1.69 -3.65 1.61 0.02 -2.07 -3.42 113.55 107.05 2dle h SER 5 Ca -0.12 0.20 -0.54 0.00 -0.84 0.00 0.00 61.79 60.49 2dle h SER 5 Cb 1.15 0.66 0.20 0.00 0.14 0.00 0.00 62.40 64.55 2dle h SER 5 CO 0.19 -0.47 -0.19 -0.24 -1.14 0.00 0.00 176.83 174.97 2dle n SER 6 N -5.36 -0.71 0.00 3.07 2.88 -1.26 -4.97 113.62 107.27 2dle n SER 6 Ca -0.06 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2dle n SER 6 Cb 0.37 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 1.18 0.28 3.58 0.46 0.00 -1.26 -5.16 105.19 104.25 2dle n GLY 7 Ca 0.10 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 2dle n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dle s ALA 8 N -1.61 3.02 0.00 4.61 0.00 -1.26 -5.08 121.76 121.44 2dle s ALA 8 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 51.96 49.82 2dle s ALA 8 Cb 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 2dle s ALA 8 CO 0.00 0.21 1.82 0.42 0.00 0.00 0.00 175.76 178.21 2dle s ILE 9 N -2.46 3.23 -0.04 0.00 1.01 -1.26 -4.98 121.20 116.71 2dle s ILE 9 Ca 0.32 0.32 0.01 0.00 0.00 0.00 0.00 60.65 61.30 2dle s ILE 9 Cb -0.04 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.24 2dle s ILE 9 CO 0.18 -0.03 -0.05 -1.58 0.00 0.00 0.00 174.94 173.46 2dle s GLN 10 N 4.16 0.81 -0.09 2.79 0.74 -1.26 -2.32 119.66 124.49 2dle s GLN 10 Ca 0.82 -0.14 -0.14 0.00 0.05 0.00 0.00 55.36 55.95 2dle s GLN 10 Cb -0.39 -0.80 -0.05 0.00 1.10 0.00 0.00 33.01 32.87 2dle s GLN 10 CO 0.36 -0.03 0.34 0.08 -0.55 0.00 0.00 175.29 175.48 2dle s VAL 11 N 0.71 5.22 0.19 1.34 1.01 -1.23 -3.58 120.40 124.05 2dle s VAL 11 Ca -0.10 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 2dle s VAL 11 Cb -0.13 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 2dle s VAL 11 CO 0.00 0.48 0.31 0.72 0.00 0.00 0.00 175.10 176.62 2dle s PHE 12 N -0.29 0.48 -0.44 5.22 -0.71 -0.31 -4.67 117.98 117.25 2dle s PHE 12 Ca 0.20 -0.82 -0.00 0.00 -1.04 0.00 0.00 56.93 55.27 2dle s PHE 12 Cb -0.14 -0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 2dle s PHE 12 CO 0.08 -0.78 0.01 -3.47 -1.34 0.00 0.00 175.22 169.73 2dle n ASP 13 N -0.26 -2.28 -4.67 1.98 2.03 -1.26 0.35 116.55 112.44 2dle n ASP 13 Ca -0.05 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.83 2dle n ASP 13 Cb 0.63 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.39 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 -2.30 3.93 0.08 5.18 1.01 -1.26 -4.24 120.40 122.81 2dle s VAL 14 Ca 0.01 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.07 2dle s VAL 14 Cb -0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2dle s VAL 14 CO 0.01 -0.07 0.22 -0.89 0.00 0.00 0.00 175.10 174.36 2dle s THR 15 N 3.34 0.13 -0.31 3.92 2.01 -0.87 -4.97 115.64 118.88 2dle s THR 15 Ca 0.63 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 2dle s THR 15 Cb -0.28 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 2dle s THR 15 CO 0.22 -0.58 0.41 0.00 -0.69 0.00 0.00 174.62 173.99 2dle s ALA 16 N -3.62 3.53 0.01 7.40 0.00 -1.26 -2.62 121.76 125.19 2dle s ALA 16 Ca 0.03 -0.95 -0.21 0.00 0.00 0.00 0.00 51.96 50.83 2dle s ALA 16 Cb 0.03 -2.83 -0.20 0.00 0.00 0.00 0.00 23.12 20.13 2dle s ALA 16 CO -0.10 -0.91 1.17 0.28 0.00 0.00 0.00 175.76 176.20 2dle h VAL 17 N 5.48 1.43 -2.49 0.00 2.07 -1.73 -3.45 116.25 117.55 2dle h VAL 17 Ca -0.30 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 65.33 2dle h VAL 17 Cb 1.15 2.38 -0.27 0.00 -1.52 0.00 0.00 31.29 33.02 2dle h VAL 17 CO 0.69 0.52 -0.36 0.21 0.02 0.00 0.00 177.57 178.65 2dle s ASN 18 N -6.46 -0.29 -0.46 0.57 3.84 -1.22 -4.99 114.94 105.94 2dle s ASN 18 Ca -0.14 1.01 -0.07 0.00 0.21 0.00 0.00 52.86 53.87 2dle s ASN 18 Cb 0.04 1.39 0.12 0.00 -0.55 0.00 0.00 41.25 42.24 2dle s ASN 18 CO 0.78 -0.23 0.31 -0.63 -2.79 0.00 0.00 177.10 174.54 2dle s ILE 19 N 2.62 3.94 0.38 -5.21 1.01 -1.26 -0.25 121.20 122.44 2dle s ILE 19 Ca -0.02 -1.89 -0.01 0.00 0.00 0.00 0.00 60.65 58.74 2dle s ILE 19 Cb -0.12 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.80 2dle s ILE 19 CO -0.13 -0.76 0.52 -0.24 0.00 0.00 0.00 174.94 174.34 2dle n SER 20 N 4.80 0.61 0.08 3.58 2.88 0.37 -4.51 113.62 121.43 2dle n SER 20 Ca -0.06 -1.53 -0.16 0.00 -1.33 0.00 0.00 58.87 55.78 2dle n SER 20 Cb 0.41 -0.35 -0.14 0.00 -0.75 0.00 0.00 64.21 63.38 2dle n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dle h ALA 21 N -0.68 0.20 0.00 -1.46 0.00 -1.91 -3.37 119.26 112.04 2dle h ALA 21 Ca -0.17 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.71 2dle h ALA 21 Cb 0.61 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2dle h ALA 21 CO 0.18 1.07 -0.33 0.25 0.00 0.00 0.00 179.25 180.41 2dle n THR 22 N -3.48 1.48 -3.62 0.00 -2.24 -1.26 -3.28 114.28 101.88 2dle n THR 22 Ca -0.13 -2.06 -0.05 0.00 -2.27 0.00 0.00 64.05 59.54 2dle n THR 22 Cb 1.03 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.59 -0.16 -0.20 3.42 1.04 -1.26 -1.76 113.70 112.19 2dle s SER 23 Ca 0.29 0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 2dle s SER 23 Cb 0.27 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.60 2dle s SER 23 CO -0.02 -0.14 0.53 -1.48 0.98 0.00 0.00 173.24 173.10 2dle s LEU 24 N -0.96 -0.15 -0.15 2.42 0.05 -1.19 0.14 118.68 118.85 2dle s LEU 24 Ca 0.05 1.09 -0.07 0.00 0.05 0.00 0.00 54.13 55.25 2dle s LEU 24 Cb -0.01 1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 45.88 2dle s LEU 24 CO -0.05 -0.19 0.10 -0.89 -0.55 0.00 0.00 176.35 174.77 2dle s THR 25 N 0.67 5.16 0.19 5.48 2.01 0.66 -1.45 115.64 128.36 2dle s THR 25 Ca -0.03 0.09 0.11 0.00 0.31 0.00 0.00 61.69 62.17 2dle s THR 25 Cb -0.05 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2dle s THR 25 CO -0.05 0.54 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.97 2dle s LEU 26 N -0.37 2.45 -0.20 4.42 2.96 -1.09 -1.91 118.68 124.94 2dle s LEU 26 Ca 0.10 -0.84 -0.16 0.00 -0.22 0.00 0.00 54.13 53.01 2dle s LEU 26 Cb -0.12 -1.20 0.06 0.00 0.50 0.00 0.00 46.19 45.43 2dle s LEU 26 CO 0.01 0.12 0.52 0.27 -1.32 0.00 0.00 176.35 175.96 2dle s ILE 27 N -1.63 -0.01 0.30 6.68 -4.36 -1.08 -2.83 121.20 118.27 2dle s ILE 27 Ca 0.20 0.02 0.03 0.00 -0.26 0.00 0.00 60.65 60.64 2dle s ILE 27 Cb -0.08 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.85 2dle s ILE 27 CO 0.10 0.01 0.15 -1.66 0.24 0.00 0.00 174.94 173.78 2dle s TRP 28 N 0.68 1.58 -0.08 1.37 -2.14 -0.90 -2.05 118.94 117.39 2dle s TRP 28 Ca -0.03 -1.35 0.03 0.00 2.66 0.00 0.00 56.10 57.40 2dle s TRP 28 Cb -0.05 -0.85 0.01 0.00 -3.10 0.00 0.00 33.47 29.48 2dle s TRP 28 CO -0.05 -0.51 -0.17 0.21 -2.66 0.00 0.00 176.95 173.78 2dle s LYS 29 N -3.85 2.28 0.45 3.25 2.20 0.15 -4.88 119.74 119.34 2dle s LYS 29 Ca 0.36 -0.61 0.02 0.00 -0.36 0.00 0.00 55.97 55.38 2dle s LYS 29 Cb 0.05 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 2dle s LYS 29 CO 0.17 0.07 0.65 0.08 -0.36 0.00 0.00 175.35 175.96 2dle s VAL 30 N 0.60 3.70 -0.07 4.02 1.01 -1.26 -1.16 120.40 127.23 2dle s VAL 30 Ca -0.15 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2dle s VAL 30 Cb -0.16 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.92 2dle s VAL 30 CO 0.05 -0.22 1.92 -0.24 0.00 0.00 0.00 175.10 176.61 2dle n SER 31 N -2.04 5.37 -3.69 3.32 2.88 -1.23 -4.79 113.62 113.43 2dle n SER 31 Ca 0.03 -2.52 -0.24 0.00 -1.33 0.00 0.00 58.87 54.81 2dle n SER 31 Cb 0.58 -1.06 -0.06 0.00 -0.75 0.00 0.00 64.21 62.92 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 1.16 0.05 -4.68 -3.46 8.00 -1.26 -4.62 116.55 111.74 2dle n ASP 32 Ca 0.07 -0.87 -0.63 0.00 0.71 0.00 0.00 54.79 54.07 2dle n ASP 32 Cb 0.53 -1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.45 2dle n ASP 32 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2dle n ASN 33 N -1.73 1.20 -0.27 -2.24 2.85 -1.26 -4.70 115.26 109.11 2dle n ASN 33 Ca -0.13 1.16 0.25 0.00 -0.11 0.00 0.00 54.58 55.75 2dle n ASN 33 Cb 0.42 -0.96 0.45 0.00 1.24 0.00 0.00 39.78 40.93 2dle n ASN 33 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2dle n GLU 34 N 3.65 -0.04 -3.87 1.20 4.07 -1.26 -2.40 120.64 121.99 2dle n GLU 34 Ca 0.27 0.96 -0.33 0.00 -0.06 0.00 0.00 57.16 58.00 2dle n GLU 34 Cb 0.02 -1.78 -0.12 0.00 -0.06 0.00 0.00 31.44 29.50 2dle n GLU 34 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2dle s SER 35 N -4.55 4.75 -0.58 4.31 0.01 -1.26 -4.94 113.70 111.45 2dle s SER 35 Ca -0.06 -2.79 0.00 0.00 1.31 0.00 0.00 55.95 54.42 2dle s SER 35 Cb 0.24 -1.73 0.45 0.00 0.21 0.00 0.00 66.02 65.19 2dle s SER 35 CO 0.57 -0.32 1.82 -1.54 0.41 0.00 0.00 173.24 174.18 2dle n SER 36 N 3.48 6.99 -4.86 2.44 3.41 -1.01 -4.99 113.62 119.09 2dle n SER 36 Ca 0.05 -3.78 -0.37 0.00 -0.26 0.00 0.00 58.87 54.52 2dle n SER 36 Cb 0.36 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 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 -2.27 6.60 -1.45 4.04 0.15 -1.26 -4.25 113.70 115.25 2dle s SER 37 Ca 0.61 0.71 -0.09 0.00 0.70 0.00 0.00 55.95 57.88 2dle s SER 37 Cb 0.48 -2.15 0.04 0.00 -1.71 0.00 0.00 66.02 62.68 2dle s SER 37 CO -0.01 0.33 0.73 0.59 1.20 0.00 0.00 173.24 176.08 2dle n ASN 38 N 1.65 -5.18 -4.73 5.45 4.13 -1.26 -4.90 115.26 110.42 2dle n ASN 38 Ca -0.15 -0.46 -0.41 0.00 1.68 0.00 0.00 54.58 55.24 2dle n ASN 38 Cb 0.53 -4.18 -0.04 0.00 -1.54 0.00 0.00 39.78 34.55 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 -3.15 3.75 0.35 3.10 1.51 -1.26 -4.54 117.35 117.11 2dle s TYR 39 Ca 0.45 1.66 0.08 0.00 -1.01 0.00 0.00 57.07 58.25 2dle s TYR 39 Cb -0.22 -2.98 -0.07 0.00 -0.11 0.00 0.00 41.96 38.58 2dle s TYR 39 CO 0.56 0.19 -0.06 0.95 -1.11 0.00 0.00 175.55 176.07 2dle s THR 40 N 0.19 2.07 -0.11 -0.71 -4.23 -0.08 -4.48 115.64 108.28 2dle s THR 40 Ca 0.45 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 2dle s THR 40 Cb -0.22 -2.71 0.05 0.00 1.34 0.00 0.00 72.50 70.96 2dle s THR 40 CO 0.27 -0.16 0.14 -0.31 -0.54 0.00 0.00 174.62 174.02 2dle s TYR 41 N -2.71 -0.10 -0.54 3.99 2.02 0.20 -1.49 117.35 118.73 2dle s TYR 41 Ca 0.33 0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 57.18 2dle s TYR 41 Cb 0.05 -0.39 0.09 0.00 -0.40 0.00 0.00 41.96 41.31 2dle s TYR 41 CO 0.16 -0.36 0.61 0.15 -1.57 0.00 0.00 175.55 174.55 2dle s LYS 42 N 2.25 3.05 -0.75 -0.62 1.02 -1.07 -1.98 119.74 121.65 2dle s LYS 42 Ca 0.04 -1.24 -0.22 0.00 0.02 0.00 0.00 55.97 54.57 2dle s LYS 42 Cb -0.13 -4.20 0.09 0.00 -0.52 0.00 0.00 37.83 33.06 2dle s LYS 42 CO -0.07 -1.34 1.04 0.42 -0.92 0.00 0.00 175.35 174.47 2dle s ILE 43 N 2.39 4.40 -0.42 2.17 1.09 -1.09 -3.26 121.20 126.49 2dle s ILE 43 Ca 0.10 -0.70 -0.24 0.00 -1.10 0.00 0.00 60.65 58.71 2dle s ILE 43 Cb -0.23 -4.73 0.02 0.00 -1.06 0.00 0.00 42.46 36.45 2dle s ILE 43 CO 0.08 -1.50 0.84 -2.28 -0.10 0.00 0.00 174.94 171.97 2dle s HIS 44 N 3.76 3.02 -0.13 3.97 5.65 -0.86 -0.38 115.29 130.33 2dle s HIS 44 Ca 0.26 0.42 -0.18 0.00 0.25 0.00 0.00 55.06 55.82 2dle s HIS 44 Cb -0.13 -3.66 -0.04 0.00 -1.18 0.00 0.00 32.58 27.57 2dle s HIS 44 CO 0.04 -0.92 0.46 0.08 -0.65 0.00 0.00 174.74 173.76 2dle s VAL 45 N 3.38 5.19 -0.25 0.89 1.01 0.30 -2.22 120.40 128.71 2dle s VAL 45 Ca 0.33 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 2dle s VAL 45 Cb -0.12 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.49 2dle s VAL 45 CO 0.21 0.32 -0.07 0.00 0.00 0.00 0.00 175.10 175.56 2dle s ALA 46 N 0.71 2.67 0.00 5.51 0.00 -0.70 -1.04 121.76 128.91 2dle s ALA 46 Ca 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2dle s ALA 46 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2dle s ALA 46 CO 0.10 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2dle n GLY 47 N 4.64 2.32 0.18 0.00 0.00 -0.98 -1.56 105.19 109.80 2dle n GLY 47 Ca -0.16 -1.38 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 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 0.23 0.06 1.61 -0.58 -1.26 -4.76 120.64 115.94 2dle n GLU 48 Ca 0.00 0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 2dle n GLU 48 Cb 0.00 -1.12 -0.15 0.00 -0.57 0.00 0.00 31.44 29.61 2dle n GLU 48 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2dle h THR 49 N -0.08 1.35 -2.73 2.62 1.35 -1.99 -3.49 112.91 109.94 2dle h THR 49 Ca -0.22 -2.53 -0.02 0.00 -0.55 0.00 0.00 66.41 63.09 2dle h THR 49 Cb 1.30 3.05 0.01 0.00 -1.73 0.00 0.00 68.15 70.78 2dle h THR 49 CO -0.06 0.73 0.21 -0.90 -0.25 0.00 0.00 175.52 175.25 2dle n ASP 50 N -4.00 -1.70 -4.18 5.36 5.68 -1.26 -5.19 116.55 111.26 2dle n ASP 50 Ca -0.17 -2.17 -0.26 0.00 -0.50 0.00 0.00 54.79 51.69 2dle n ASP 50 Cb 0.89 2.83 -0.08 0.00 -1.14 0.00 0.00 41.12 43.62 2dle n ASP 50 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2dle s SER 51 N -2.53 2.85 0.30 -1.12 1.04 -1.26 -2.30 113.70 110.67 2dle s SER 51 Ca 0.12 -1.66 -0.17 0.00 0.48 0.00 0.00 55.95 54.72 2dle s SER 51 Cb -0.04 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.58 2dle s SER 51 CO 0.09 -0.91 0.68 -0.44 0.98 0.00 0.00 173.24 173.64 2dle s SER 52 N -3.62 -0.11 -0.01 7.02 0.01 -0.21 -4.99 113.70 111.79 2dle s SER 52 Ca 0.23 -0.83 0.03 0.00 1.31 0.00 0.00 55.95 56.69 2dle s SER 52 Cb 0.03 0.73 -0.01 0.00 0.21 0.00 0.00 66.02 66.98 2dle s SER 52 CO 0.14 -1.38 -0.09 0.54 0.41 0.00 0.00 173.24 172.86 2dle s ASN 53 N -2.99 1.02 0.35 2.44 4.22 -1.26 -0.54 114.94 118.18 2dle s ASN 53 Ca 0.15 -0.16 0.08 0.00 -2.14 0.00 0.00 52.86 50.79 2dle s ASN 53 Cb -0.05 -0.12 -0.04 0.00 1.28 0.00 0.00 41.25 42.33 2dle s ASN 53 CO 0.09 0.11 0.21 -0.22 -2.04 0.00 0.00 177.10 175.24 2dle s LEU 54 N -0.20 3.37 -0.15 3.54 2.96 0.49 -4.92 118.68 123.78 2dle s LEU 54 Ca 0.03 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 2dle s LEU 54 Cb -0.03 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.82 2dle s LEU 54 CO -0.00 -0.35 0.08 0.54 -1.32 0.00 0.00 176.35 175.30 2dle s ASN 55 N -3.91 2.10 0.03 3.68 4.22 -1.26 -2.66 114.94 117.13 2dle s ASN 55 Ca 0.39 -0.47 -0.01 0.00 -2.14 0.00 0.00 52.86 50.63 2dle s ASN 55 Cb -0.03 -0.22 -0.02 0.00 1.28 0.00 0.00 41.25 42.26 2dle s ASN 55 CO 0.24 -0.33 -0.02 0.68 -2.04 0.00 0.00 177.10 175.63 2dle s VAL 56 N 2.15 0.13 -0.29 3.54 -7.23 -0.84 -4.99 120.40 112.88 2dle s VAL 56 Ca 0.03 -1.08 0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2dle s VAL 56 Cb -0.15 -0.54 0.66 0.00 0.56 0.00 0.00 36.38 36.91 2dle s VAL 56 CO -0.08 -0.60 1.67 -1.54 -0.31 0.00 0.00 175.10 174.24 2dle n SER 57 N 1.27 4.21 -4.15 4.85 3.41 -1.26 0.60 113.62 122.54 2dle n SER 57 Ca -0.22 -3.28 -0.11 0.00 -0.26 0.00 0.00 58.87 55.01 2dle n SER 57 Cb 0.56 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 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 -3.01 0.79 0.00 4.33 -1.05 -1.26 -4.84 118.70 113.66 2dle s GLU 58 Ca 0.51 -1.27 0.09 0.00 -0.15 0.00 0.00 54.97 54.14 2dle s GLU 58 Cb 0.41 -0.18 0.52 0.00 -0.44 0.00 0.00 34.13 34.45 2dle s GLU 58 CO 0.10 -0.02 0.97 -0.35 0.95 0.00 0.00 175.26 176.91 2dle n PRO 59 N 0.12 0.49 -4.21 -4.83 -0.04 -1.26 -4.69 135.00 120.58 2dle n PRO 59 Ca -0.13 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.14 2dle n PRO 59 Cb 0.60 -1.28 -0.12 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.29 0.54 1.70 -1.26 -2.12 118.95 116.45 2dle s ARG 60 Ca 0.13 -1.10 -0.15 0.00 -0.47 0.00 0.00 55.73 54.14 2dle s ARG 60 Cb 0.06 -0.89 0.13 0.00 -0.57 0.00 0.00 34.95 33.68 2dle s ARG 60 CO 0.10 0.18 0.82 0.00 -1.08 0.00 0.00 175.30 175.33 2dle s ALA 61 N -1.69 -2.18 -0.13 7.88 0.00 -1.13 -4.90 121.76 119.61 2dle s ALA 61 Ca 0.04 2.28 -0.10 0.00 0.00 0.00 0.00 51.96 54.17 2dle s ALA 61 Cb -0.07 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2dle s ALA 61 CO 0.03 -0.59 0.21 0.08 0.00 0.00 0.00 175.76 175.48 2dle s VAL 62 N 1.97 5.38 -0.52 0.00 1.01 -1.26 -2.66 120.40 124.31 2dle s VAL 62 Ca -0.08 0.36 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 2dle s VAL 62 Cb -0.06 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.94 2dle s VAL 62 CO -0.18 0.53 0.44 -0.63 0.00 0.00 0.00 175.10 175.26 2dle s ILE 63 N -0.46 4.74 1.22 2.22 -1.09 -0.53 -4.93 121.20 122.36 2dle s ILE 63 Ca 0.15 -1.70 -0.20 0.00 -2.23 0.00 0.00 60.65 56.67 2dle s ILE 63 Cb -0.13 -4.07 0.29 0.00 -1.58 0.00 0.00 42.46 36.98 2dle s ILE 63 CO 0.04 -0.83 1.11 -2.16 -1.23 0.00 0.00 174.94 171.87 2dle s PRO 64 N 1.40 -1.36 -0.69 2.79 0.04 -1.26 -3.15 135.00 132.76 2dle s PRO 64 Ca 0.05 -0.11 -0.11 0.00 0.04 0.00 0.00 61.00 60.87 2dle s PRO 64 Cb -0.27 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.70 2dle s PRO 64 CO 0.01 -3.80 0.44 0.41 0.04 0.00 0.00 177.00 174.10 2dle n GLY 65 N -0.93 -0.76 3.34 0.56 0.00 -0.72 -4.78 105.19 101.90 2dle n GLY 65 Ca 0.14 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 2dle n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dle n LEU 66 N -2.80 0.00 -4.51 0.99 4.77 -1.10 -4.97 117.00 109.39 2dle n LEU 66 Ca -0.16 -2.10 -0.32 0.00 -0.03 0.00 0.00 56.01 53.40 2dle n LEU 66 Cb 0.44 -0.39 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 2dle n LEU 66 CO 0.47 -0.71 -0.44 -0.13 -1.33 0.00 0.00 177.39 175.25 2dle s ARG 67 N -4.31 2.43 0.24 3.23 1.81 -1.23 -4.47 118.95 116.65 2dle s ARG 67 Ca 0.53 -0.76 -0.16 0.00 -1.72 0.00 0.00 55.73 53.62 2dle s ARG 67 Cb -0.04 -2.38 -0.08 0.00 -0.45 0.00 0.00 34.95 32.00 2dle s ARG 67 CO 0.34 0.60 0.68 -1.54 -0.68 0.00 0.00 175.30 174.69 2dle s SER 68 N -1.09 6.87 -1.53 0.23 1.04 -1.21 -4.10 113.70 113.90 2dle s SER 68 Ca 0.14 1.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.74 2dle s SER 68 Cb -0.11 -2.36 0.06 0.00 0.10 0.00 0.00 66.02 63.72 2dle s SER 68 CO 0.04 -0.05 0.54 -1.54 0.98 0.00 0.00 173.24 173.21 2dle n SER 69 N 0.26 -1.45 -3.96 7.02 3.41 -0.74 -4.82 113.62 113.34 2dle n SER 69 Ca -0.01 -1.02 -0.18 0.00 -0.26 0.00 0.00 58.87 57.40 2dle n SER 69 Cb 0.52 -2.85 -0.15 0.00 -0.26 0.00 0.00 64.21 61.47 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 -3.72 0.54 0.34 6.66 2.01 -1.26 -4.97 115.64 115.23 2dle s THR 70 Ca 0.30 -0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 2dle s THR 70 Cb -0.16 -0.49 -0.09 0.00 0.01 0.00 0.00 72.50 71.77 2dle s THR 70 CO 0.91 0.17 1.13 0.12 -0.69 0.00 0.00 174.62 176.27 2dle s PHE 71 N 0.16 3.33 -0.05 4.92 2.19 -1.26 -3.67 117.98 123.59 2dle s PHE 71 Ca -0.02 1.62 -0.05 0.00 0.33 0.00 0.00 56.93 58.81 2dle s PHE 71 Cb -0.06 -3.34 0.02 0.00 -1.31 0.00 0.00 43.02 38.33 2dle s PHE 71 CO -0.00 -0.92 0.14 0.71 1.83 0.00 0.00 175.22 176.98 2dle s TYR 72 N -1.31 -0.16 -0.34 10.12 2.02 -1.21 -4.60 117.35 121.87 2dle s TYR 72 Ca 0.50 0.39 0.01 0.00 -0.37 0.00 0.00 57.07 57.60 2dle s TYR 72 Cb -0.31 0.04 0.09 0.00 -0.40 0.00 0.00 41.96 41.38 2dle s TYR 72 CO 0.40 -0.08 0.07 1.21 -1.57 0.00 0.00 175.55 175.57 2dle s ASN 73 N 0.18 4.89 0.36 2.29 3.84 -0.60 -3.34 114.94 122.57 2dle s ASN 73 Ca -0.01 -1.90 -0.09 0.00 0.21 0.00 0.00 52.86 51.07 2dle s ASN 73 Cb -0.02 -1.69 -0.06 0.00 -0.55 0.00 0.00 41.25 38.93 2dle s ASN 73 CO -0.00 -0.39 0.70 -0.63 -2.79 0.00 0.00 177.10 173.99 2dle s ILE 74 N 1.05 4.85 -0.19 -5.21 1.01 -1.25 -1.71 121.20 119.74 2dle s ILE 74 Ca 0.05 0.47 -0.04 0.00 0.00 0.00 0.00 60.65 61.13 2dle s ILE 74 Cb -0.20 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.62 2dle s ILE 74 CO -0.06 -0.44 0.18 -0.89 0.00 0.00 0.00 174.94 173.73 2dle s THR 75 N -2.26 -0.25 -0.51 2.92 2.01 -0.94 -3.68 115.64 112.93 2dle s THR 75 Ca 0.49 -0.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2dle s THR 75 Cb -0.10 -0.63 0.10 0.00 0.01 0.00 0.00 72.50 71.87 2dle s THR 75 CO 0.30 -0.22 0.46 -0.69 -0.69 0.00 0.00 174.62 173.79 2dle s VAL 76 N 2.27 5.19 -0.29 3.82 1.01 -0.67 -2.03 120.40 129.70 2dle s VAL 76 Ca 0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 61.98 60.77 2dle s VAL 76 Cb -0.16 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.01 2dle s VAL 76 CO -0.11 -0.73 0.03 0.00 0.00 0.00 0.00 175.10 174.28 2dle s PRO 78 N 1.38 4.17 -0.04 0.00 0.04 -1.26 -2.60 135.00 136.69 2dle s PRO 78 Ca -0.00 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 2dle s PRO 78 Cb -0.18 -2.82 0.03 0.00 0.04 0.00 0.00 34.50 31.58 2dle s PRO 78 CO -0.00 -0.25 0.07 0.08 0.04 0.00 0.00 177.00 176.94 2dle s VAL 79 N -1.32 -0.12 -0.04 -0.36 1.01 -0.55 -2.34 120.40 116.68 2dle s VAL 79 Ca 0.54 0.42 0.05 0.00 0.00 0.00 0.00 61.98 63.00 2dle s VAL 79 Cb -0.33 -0.16 -0.24 0.00 0.00 0.00 0.00 36.38 35.64 2dle s VAL 79 CO 0.43 0.18 0.67 0.25 0.00 0.00 0.00 175.10 176.62 2dle h LEU 80 N 8.43 0.15 0.00 3.92 5.85 -1.80 -0.19 115.31 131.68 2dle h LEU 80 Ca -0.12 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2dle h LEU 80 Cb 1.12 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2dle h LEU 80 CO 0.15 1.26 0.00 0.61 -0.34 0.00 0.00 178.44 180.12 2dle n GLY 81 N 1.66 -1.76 0.20 3.75 0.00 -1.26 -4.72 105.19 103.06 2dle n GLY 81 Ca -0.19 0.60 0.05 0.00 0.00 0.00 0.00 46.02 46.48 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 1.30 -4.26 1.61 9.92 -1.26 -5.06 116.55 118.80 2dle n ASP 82 Ca 0.00 -2.40 -0.20 0.00 -0.53 0.00 0.00 54.79 51.65 2dle n ASP 82 Cb 0.00 -0.26 -0.12 0.00 -0.64 0.00 0.00 41.12 40.10 2dle n ASP 82 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2dle s ILE 83 N -1.42 1.49 -0.11 0.53 1.01 -1.26 -5.14 121.20 116.30 2dle s ILE 83 Ca 0.14 -1.64 0.01 0.00 0.00 0.00 0.00 60.65 59.17 2dle s ILE 83 Cb 0.13 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 41.09 2dle s ILE 83 CO 0.01 -0.27 -0.14 -1.61 0.00 0.00 0.00 174.94 172.93 2dle s GLU 84 N -2.33 2.11 0.33 2.79 2.02 -1.26 -3.88 118.70 118.48 2dle s GLU 84 Ca 0.08 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 2dle s GLU 84 Cb -0.07 -1.83 0.07 0.00 0.10 0.00 0.00 34.13 32.39 2dle s GLU 84 CO 0.04 -0.09 0.45 0.41 0.02 0.00 0.00 175.26 176.09 2dle n GLY 85 N 4.29 0.33 3.66 -1.39 0.00 -0.99 -4.95 105.19 106.14 2dle n GLY 85 Ca -0.19 -1.93 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.38 4.01 -0.06 2.61 2.01 -0.98 -4.65 115.64 117.20 2dle s THR 86 Ca 0.29 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 2dle s THR 86 Cb -0.01 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 2dle s THR 86 CO 0.19 -0.10 1.50 -2.16 -0.69 0.00 0.00 174.62 173.37 2dle s PRO 87 N 3.55 4.22 -0.34 4.92 0.04 -1.26 -3.50 135.00 142.63 2dle s PRO 87 Ca 0.61 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.38 2dle s PRO 87 Cb -0.26 -3.82 0.02 0.00 0.04 0.00 0.00 34.50 30.48 2dle s PRO 87 CO 0.21 -0.74 1.12 0.20 0.04 0.00 0.00 177.00 177.82 2dle s GLY 88 N 2.63 1.49 -0.01 0.56 0.00 0.72 -4.75 107.32 107.95 2dle s GLY 88 Ca 0.67 -0.09 -0.06 0.00 0.00 0.00 0.00 44.72 45.24 2dle s GLY 88 CO 0.25 2.34 0.23 -1.36 0.00 0.00 0.00 173.10 174.57 2dle s PHE 89 N 3.88 3.58 -0.26 1.90 0.40 -1.26 -1.67 117.98 124.54 2dle s PHE 89 Ca 0.47 0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 57.27 2dle s PHE 89 Cb -0.12 -1.95 0.13 0.00 0.51 0.00 0.00 43.02 41.58 2dle s PHE 89 CO 0.19 0.64 0.52 -1.17 0.70 0.00 0.00 175.22 176.10 2dle s LEU 90 N -1.68 -0.95 0.02 -0.37 2.96 -1.24 -4.95 118.68 112.47 2dle s LEU 90 Ca 0.26 1.04 -0.30 0.00 -0.22 0.00 0.00 54.13 54.90 2dle s LEU 90 Cb -0.13 1.78 -0.04 0.00 0.50 0.00 0.00 46.19 48.30 2dle s LEU 90 CO 0.15 -0.24 1.13 -1.10 -1.32 0.00 0.00 176.35 174.96 2dle s GLN 91 N 2.74 4.46 0.03 1.98 -0.21 -1.26 -3.94 119.66 123.46 2dle s GLN 91 Ca 0.04 1.64 0.06 0.00 0.02 0.00 0.00 55.36 57.11 2dle s GLN 91 Cb -0.13 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.44 2dle s GLN 91 CO -0.17 -0.23 -0.18 0.14 -2.12 0.00 0.00 175.29 172.73 2dle s VAL 92 N 1.27 1.41 -0.36 1.09 -7.23 -1.21 -5.05 120.40 110.32 2dle s VAL 92 Ca 0.56 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2dle s VAL 92 Cb -0.26 -1.23 0.11 0.00 0.56 0.00 0.00 36.38 35.55 2dle s VAL 92 CO 0.27 0.16 0.10 -2.28 -0.31 0.00 0.00 175.10 173.04 2dle s HIS 93 N -0.75 3.25 0.42 2.82 2.46 -1.26 -3.33 115.29 118.90 2dle s HIS 93 Ca 0.05 -2.78 -0.26 0.00 0.47 0.00 0.00 55.06 52.54 2dle s HIS 93 Cb -0.08 -2.65 -0.10 0.00 -0.13 0.00 0.00 32.58 29.62 2dle s HIS 93 CO 0.01 -0.90 1.31 0.25 -2.47 0.00 0.00 174.74 172.94 2dle n THR 94 N 4.17 2.55 -1.58 0.89 -2.24 -1.24 -4.92 114.28 111.89 2dle n THR 94 Ca 0.03 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.99 2dle n THR 94 Cb 0.40 -1.64 0.06 0.00 -2.10 0.00 0.00 70.33 67.06 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 -2.23 2.62 0.13 -0.78 0.04 -1.26 -1.79 135.00 131.72 2dle s PRO 95 Ca 0.60 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 2dle s PRO 95 Cb -0.50 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 2dle s PRO 95 CO 0.58 -1.38 1.35 -1.25 0.04 0.00 0.00 177.00 176.34 2dle s PRO 96 N -4.38 4.35 0.25 0.56 0.04 -1.26 -1.84 135.00 132.72 2dle s PRO 96 Ca 0.65 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.43 2dle s PRO 96 Cb -0.19 -3.24 -0.10 0.00 0.04 0.00 0.00 34.50 31.01 2dle s PRO 96 CO 0.47 -0.37 1.37 0.54 0.04 0.00 0.00 177.00 179.04 2dle s VAL 97 N 0.86 2.82 -0.48 -0.36 0.11 -1.26 -4.93 120.40 117.16 2dle s VAL 97 Ca 0.62 0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 60.11 2dle s VAL 97 Cb -0.36 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 2dle s VAL 97 CO 0.32 0.13 1.78 -2.16 -3.33 0.00 0.00 175.10 171.84 2dle s PRO 98 N -0.63 3.01 0.02 1.54 0.04 -1.26 -4.93 135.00 132.79 2dle s PRO 98 Ca 0.56 0.96 -0.37 0.00 0.04 0.00 0.00 61.00 62.19 2dle s PRO 98 Cb -0.40 -4.27 -0.17 0.00 0.04 0.00 0.00 34.50 29.70 2dle s PRO 98 CO 0.44 -2.26 1.41 0.43 0.04 0.00 0.00 177.00 177.06 2dle n SER 99 N 11.33 1.75 0.00 6.66 7.64 -1.26 -4.47 113.62 135.26 2dle n SER 99 Ca 0.21 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.20 2dle n SER 99 Cb 0.50 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 2dle n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dle n GLY 100 N 2.79 0.79 3.77 0.23 0.00 -1.26 -4.99 105.19 106.52 2dle n GLY 100 Ca 0.20 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 2.85 -0.20 1.61 0.04 -1.26 -5.07 135.00 132.97 2dle s PRO 101 Ca 0.00 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 2dle s PRO 101 Cb 0.00 -1.96 0.09 0.00 0.04 0.00 0.00 34.50 32.68 2dle s PRO 101 CO 0.00 -1.21 0.83 0.45 0.04 0.00 0.00 177.00 177.11 2dle s SER 102 N -2.51 -0.59 1.04 6.66 0.15 -1.26 -4.92 113.70 112.27 2dle s SER 102 Ca 0.67 0.97 -0.12 0.00 0.70 0.00 0.00 55.95 58.17 2dle s SER 102 Cb -0.21 0.92 0.19 0.00 -1.71 0.00 0.00 66.02 65.22 2dle s SER 102 CO 0.40 -0.32 0.91 -1.54 1.20 0.00 0.00 173.24 173.89 2dle n SER 103 N 1.85 -0.99 0.00 5.45 3.41 -1.26 -5.20 113.62 116.88 2dle n SER 103 Ca -0.14 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2dle n SER 103 Cb 0.56 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 2dle n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49