#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 5.80 -0.13 1.61 1.04 -1.26 -5.08 113.70 115.69 2dle s SER 2 Ca 0.00 0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.26 2dle s SER 2 Cb 0.00 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 64.07 2dle s SER 2 CO 0.00 0.10 0.73 -0.44 0.98 0.00 0.00 173.24 174.61 2dle s SER 3 N 0.82 6.91 0.97 7.02 0.01 -1.26 -4.92 113.70 123.25 2dle s SER 3 Ca 0.06 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2dle s SER 3 Cb -0.13 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2dle s SER 3 CO 0.02 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dle n GLY 4 N 3.37 0.41 3.58 3.44 0.00 -1.26 -4.44 105.19 110.30 2dle n GLY 4 Ca 0.01 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 2dle n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dle s SER 5 N -4.00 5.88 -0.08 1.61 1.04 -1.26 -4.80 113.70 112.08 2dle s SER 5 Ca 0.00 0.78 -0.10 0.00 0.48 0.00 0.00 55.95 57.11 2dle s SER 5 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2dle s SER 5 CO 0.00 -1.81 -0.21 -1.20 0.98 0.00 0.00 173.24 171.00 2dle n SER 6 N 10.44 1.54 -0.41 7.02 7.64 -1.26 -5.10 113.62 133.49 2dle n SER 6 Ca 0.19 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2dle n SER 6 Cb 0.49 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2dle n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dle n GLY 7 N 2.24 0.63 3.17 0.23 0.00 -1.26 -5.02 105.19 105.18 2dle n GLY 7 Ca -0.12 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2dle n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dle n ALA 8 N -0.31 -2.88 -1.39 4.61 0.00 -1.26 -4.55 120.51 114.72 2dle n ALA 8 Ca 0.00 0.20 -0.54 0.00 0.00 0.00 0.00 53.44 53.10 2dle n ALA 8 Cb 0.14 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.07 2dle n ALA 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dle n ILE 9 N -0.68 0.00 -4.23 0.00 5.41 -1.26 -4.81 119.36 113.80 2dle n ILE 9 Ca 0.13 0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.67 2dle n ILE 9 Cb 0.34 -0.36 -0.16 0.00 -0.71 0.00 0.00 39.64 38.74 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 2.18 0.94 -0.14 0.38 0.74 -1.26 -2.23 119.66 120.26 2dle s GLN 10 Ca 0.84 -0.15 -0.20 0.00 0.05 0.00 0.00 55.36 55.90 2dle s GLN 10 Cb -1.19 -0.90 -0.04 0.00 1.10 0.00 0.00 33.01 31.98 2dle s GLN 10 CO 0.64 -0.06 0.56 0.08 -0.55 0.00 0.00 175.29 175.97 2dle s VAL 11 N 0.85 5.11 0.18 1.34 1.01 -1.23 -3.62 120.40 124.04 2dle s VAL 11 Ca -0.12 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.95 2dle s VAL 11 Cb -0.15 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2dle s VAL 11 CO 0.01 0.24 0.14 0.72 0.00 0.00 0.00 175.10 176.20 2dle s PHE 12 N 1.12 1.00 -0.88 5.22 -0.71 -0.67 -4.61 117.98 118.46 2dle s PHE 12 Ca 0.29 -1.28 -0.01 0.00 -1.04 0.00 0.00 56.93 54.89 2dle s PHE 12 Cb -0.16 -0.47 0.00 0.00 -1.21 0.00 0.00 43.02 41.18 2dle s PHE 12 CO 0.12 -0.63 0.14 -3.47 -1.34 0.00 0.00 175.22 170.04 2dle n ASP 13 N -0.23 -3.73 -4.67 1.98 2.03 -1.26 -0.04 116.55 110.64 2dle n ASP 13 Ca -0.01 -0.07 -0.43 0.00 0.52 0.00 0.00 54.79 54.80 2dle n ASP 13 Cb 0.65 -2.81 -0.02 0.00 -0.72 0.00 0.00 41.12 38.22 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 -2.69 4.30 0.00 5.18 1.01 -1.26 -4.18 120.40 122.77 2dle s VAL 14 Ca 0.07 1.59 -0.18 0.00 0.00 0.00 0.00 61.98 63.46 2dle s VAL 14 Cb -0.03 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2dle s VAL 14 CO 0.09 -0.11 0.40 -0.89 0.00 0.00 0.00 175.10 174.59 2dle s THR 15 N 3.16 0.05 -0.60 3.92 2.01 -0.72 -4.94 115.64 118.52 2dle s THR 15 Ca 0.54 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.91 2dle s THR 15 Cb -0.22 -0.81 0.07 0.00 0.01 0.00 0.00 72.50 71.54 2dle s THR 15 CO 0.16 -0.23 0.86 0.00 -0.69 0.00 0.00 174.62 174.72 2dle s ALA 16 N -1.79 3.22 0.23 7.40 0.00 -1.26 -2.43 121.76 127.12 2dle s ALA 16 Ca -0.10 -1.76 -0.06 0.00 0.00 0.00 0.00 51.96 50.04 2dle s ALA 16 Cb -0.03 -3.70 0.22 0.00 0.00 0.00 0.00 23.12 19.61 2dle s ALA 16 CO 0.02 -2.50 1.82 -0.39 0.00 0.00 0.00 175.76 174.71 2dle h VAL 17 N 5.96 1.26 -3.39 0.00 -1.51 -1.85 -3.43 116.25 113.28 2dle h VAL 17 Ca -0.28 -0.74 -0.26 0.00 -1.23 0.00 0.00 66.70 64.19 2dle h VAL 17 Cb 1.08 0.23 -0.32 0.00 -2.13 0.00 0.00 31.29 30.15 2dle h VAL 17 CO 1.11 0.31 -0.65 0.21 -1.23 0.00 0.00 177.57 177.33 2dle s ASN 18 N -6.34 -0.05 -0.32 4.19 3.84 -1.20 -5.00 114.94 110.07 2dle s ASN 18 Ca -0.12 0.19 0.00 0.00 0.21 0.00 0.00 52.86 53.14 2dle s ASN 18 Cb 0.16 0.10 0.10 0.00 -0.55 0.00 0.00 41.25 41.06 2dle s ASN 18 CO 0.83 -0.12 0.09 -0.63 -2.79 0.00 0.00 177.10 174.48 2dle s ILE 19 N 0.93 1.21 0.44 -5.21 1.01 -1.26 0.58 121.20 118.90 2dle s ILE 19 Ca -0.07 -1.63 0.01 0.00 0.00 0.00 0.00 60.65 58.96 2dle s ILE 19 Cb -0.10 -1.91 0.09 0.00 0.01 0.00 0.00 42.46 40.54 2dle s ILE 19 CO -0.04 -0.66 0.60 -1.20 0.00 0.00 0.00 174.94 173.64 2dle n SER 20 N 4.70 0.92 0.09 3.58 7.64 0.39 -4.56 113.62 126.39 2dle n SER 20 Ca -0.01 -1.75 -0.22 0.00 1.01 0.00 0.00 58.87 57.90 2dle n SER 20 Cb 0.42 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.42 -0.05 -0.05 -0.43 0.00 -1.89 -3.35 119.26 113.07 2dle h ALA 21 Ca -0.20 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 2dle h ALA 21 Cb 0.76 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2dle h ALA 21 CO 0.22 0.64 -0.27 0.25 0.00 0.00 0.00 179.25 180.09 2dle n THR 22 N -3.84 2.15 -3.59 0.00 -2.24 -1.26 -3.32 114.28 102.18 2dle n THR 22 Ca -0.14 -2.81 -0.05 0.00 -2.27 0.00 0.00 64.05 58.78 2dle n THR 22 Cb 0.98 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 -2.98 -0.16 -0.28 3.42 1.04 -1.26 -2.33 113.70 111.15 2dle s SER 23 Ca 0.37 0.03 -0.17 0.00 0.48 0.00 0.00 55.95 56.66 2dle s SER 23 Cb 0.34 0.16 0.09 0.00 0.10 0.00 0.00 66.02 66.72 2dle s SER 23 CO -0.02 -0.25 0.76 -1.48 0.98 0.00 0.00 173.24 173.23 2dle s LEU 24 N -2.01 -0.82 -0.18 2.42 0.05 -1.18 0.15 118.68 117.10 2dle s LEU 24 Ca 0.08 1.34 -0.16 0.00 0.05 0.00 0.00 54.13 55.45 2dle s LEU 24 Cb -0.01 2.24 -0.04 0.00 -2.05 0.00 0.00 46.19 46.33 2dle s LEU 24 CO -0.05 -0.21 0.38 -0.89 -0.55 0.00 0.00 176.35 175.03 2dle s THR 25 N 1.43 5.23 -0.04 5.48 2.01 0.20 -1.05 115.64 128.90 2dle s THR 25 Ca -0.09 0.70 0.02 0.00 0.31 0.00 0.00 61.69 62.63 2dle s THR 25 Cb -0.05 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2dle s THR 25 CO -0.17 0.29 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.77 2dle s LEU 26 N 1.02 3.19 0.02 4.42 2.96 -1.12 -2.54 118.68 126.63 2dle s LEU 26 Ca 0.19 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2dle s LEU 26 Cb -0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2dle s LEU 26 CO 0.07 0.33 0.03 0.27 -1.32 0.00 0.00 176.35 175.73 2dle s ILE 27 N -0.90 0.10 0.25 6.68 -4.36 -1.02 -2.09 121.20 119.86 2dle s ILE 27 Ca 0.15 -0.87 -0.14 0.00 -0.26 0.00 0.00 60.65 59.53 2dle s ILE 27 Cb -0.11 -0.38 0.00 0.00 1.25 0.00 0.00 42.46 43.22 2dle s ILE 27 CO 0.04 -0.48 0.51 -1.66 0.24 0.00 0.00 174.94 173.60 2dle s TRP 28 N -1.55 0.25 -0.16 1.37 -2.14 -0.97 -1.76 118.94 113.98 2dle s TRP 28 Ca -0.15 -0.62 0.02 0.00 2.66 0.00 0.00 56.10 58.01 2dle s TRP 28 Cb -0.08 0.27 0.01 0.00 -3.10 0.00 0.00 33.47 30.57 2dle s TRP 28 CO -0.00 -1.02 -0.21 0.21 -2.66 0.00 0.00 176.95 173.27 2dle s LYS 29 N -3.99 3.01 0.03 3.25 2.20 0.95 -4.87 119.74 120.31 2dle s LYS 29 Ca 0.20 -0.84 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 2dle s LYS 29 Cb -0.01 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.77 2dle s LYS 29 CO 0.08 -0.09 0.23 0.08 -0.36 0.00 0.00 175.35 175.28 2dle s VAL 30 N 1.01 5.36 -0.07 4.02 1.01 -1.26 -1.67 120.40 128.80 2dle s VAL 30 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2dle s VAL 30 Cb -0.14 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 2dle s VAL 30 CO -0.06 0.27 2.80 -0.24 0.00 0.00 0.00 175.10 177.86 2dle n SER 31 N 0.76 5.52 -3.24 3.32 2.88 -1.24 -4.63 113.62 116.99 2dle n SER 31 Ca -0.09 -2.58 0.04 0.00 -1.33 0.00 0.00 58.87 54.91 2dle n SER 31 Cb 0.52 -1.26 -0.03 0.00 -0.75 0.00 0.00 64.21 62.69 2dle n SER 31 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dle s ASP 32 N 1.67 -0.42 -0.03 -3.46 1.01 -1.26 -4.94 116.67 109.25 2dle s ASP 32 Ca 0.38 0.41 -0.00 0.00 0.71 0.00 0.00 52.55 54.05 2dle s ASP 32 Cb 0.20 1.41 -0.02 0.00 1.01 0.00 0.00 42.92 45.52 2dle s ASP 32 CO -0.02 -0.08 -0.02 0.59 0.21 0.00 0.00 175.17 175.84 2dle n ASN 33 N 5.13 3.23 -0.35 0.27 4.13 -1.26 -4.40 115.26 122.02 2dle n ASN 33 Ca -0.08 -0.01 -0.03 0.00 1.68 0.00 0.00 54.58 56.15 2dle n ASN 33 Cb 0.54 -0.05 0.10 0.00 -1.54 0.00 0.00 39.78 38.83 2dle n ASN 33 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2dle h GLU 34 N -0.02 1.22 -0.90 3.52 5.08 -1.99 -2.58 114.58 118.90 2dle h GLU 34 Ca -0.06 -0.07 -0.63 0.00 -1.00 0.00 0.00 59.36 57.60 2dle h GLU 34 Cb 1.08 -0.27 -0.34 0.00 0.50 0.00 0.00 28.75 29.72 2dle h GLU 34 CO -0.01 0.81 0.26 0.43 -1.00 0.00 0.00 179.01 179.49 2dle n SER 35 N -4.44 6.64 -2.95 1.42 7.64 -1.26 -4.73 113.62 115.94 2dle n SER 35 Ca 0.10 -3.77 -0.38 0.00 1.01 0.00 0.00 58.87 55.83 2dle n SER 35 Cb 0.01 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 62.50 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 -0.85 7.04 -0.00 6.43 3.41 -0.97 -4.69 113.62 123.98 2dle n SER 36 Ca 0.56 -3.80 -0.00 0.00 -0.26 0.00 0.00 58.87 55.37 2dle n SER 36 Cb 0.78 -0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 63.75 2dle n SER 36 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dle n SER 37 N -0.46 0.03 -1.64 4.04 7.64 -1.26 -4.48 113.62 117.49 2dle n SER 37 Ca 0.50 0.17 -0.08 0.00 1.01 0.00 0.00 58.87 60.47 2dle n SER 37 Cb 0.30 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2dle n SER 37 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dle n ASN 38 N -2.38 5.54 -4.72 6.43 3.02 -1.26 -4.88 115.26 117.00 2dle n ASN 38 Ca -0.00 -2.69 -0.37 0.00 -0.03 0.00 0.00 54.58 51.49 2dle n ASN 38 Cb 0.01 -1.02 -0.06 0.00 -0.61 0.00 0.00 39.78 38.09 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 -0.89 3.49 0.31 3.10 1.51 -1.26 -4.23 117.35 119.39 2dle s TYR 39 Ca 0.15 0.77 0.09 0.00 -1.01 0.00 0.00 57.07 57.08 2dle s TYR 39 Cb 0.12 -2.47 -0.06 0.00 -0.11 0.00 0.00 41.96 39.44 2dle s TYR 39 CO 0.00 0.20 -0.11 0.95 -1.11 0.00 0.00 175.55 175.48 2dle s THR 40 N 0.55 2.16 -0.08 -0.71 -4.23 -0.97 -4.38 115.64 107.99 2dle s THR 40 Ca 0.22 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 2dle s THR 40 Cb -0.14 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.22 2dle s THR 40 CO 0.08 -0.28 0.07 -0.31 -0.54 0.00 0.00 174.62 173.65 2dle s TYR 41 N -2.67 0.08 -0.61 3.99 2.02 0.92 -1.70 117.35 119.38 2dle s TYR 41 Ca 0.31 0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.95 2dle s TYR 41 Cb 0.01 -0.53 0.12 0.00 -0.40 0.00 0.00 41.96 41.16 2dle s TYR 41 CO 0.15 -0.29 0.66 0.15 -1.57 0.00 0.00 175.55 174.65 2dle s LYS 42 N 2.17 3.09 -0.64 -0.62 1.02 -1.07 -2.33 119.74 121.35 2dle s LYS 42 Ca 0.04 -1.55 -0.24 0.00 0.02 0.00 0.00 55.97 54.25 2dle s LYS 42 Cb -0.13 -4.31 0.06 0.00 -0.52 0.00 0.00 37.83 32.92 2dle s LYS 42 CO -0.05 -1.47 1.01 0.42 -0.92 0.00 0.00 175.35 174.34 2dle s ILE 43 N 2.16 4.25 -0.56 2.17 1.09 -0.96 -3.35 121.20 126.00 2dle s ILE 43 Ca 0.10 -0.06 -0.21 0.00 -1.10 0.00 0.00 60.65 59.38 2dle s ILE 43 Cb -0.24 -4.68 0.06 0.00 -1.06 0.00 0.00 42.46 36.54 2dle s ILE 43 CO 0.03 -1.42 0.78 -2.28 -0.10 0.00 0.00 174.94 171.95 2dle s HIS 44 N 4.29 2.91 -0.03 3.97 5.65 -1.05 0.71 115.29 131.73 2dle s HIS 44 Ca 0.26 -0.44 -0.21 0.00 0.25 0.00 0.00 55.06 54.92 2dle s HIS 44 Cb -0.14 -3.88 -0.05 0.00 -1.18 0.00 0.00 32.58 27.33 2dle s HIS 44 CO 0.13 -1.26 0.61 0.08 -0.65 0.00 0.00 174.74 173.65 2dle s VAL 45 N 3.25 4.98 -0.31 0.89 1.01 0.19 -3.06 120.40 127.35 2dle s VAL 45 Ca 0.20 1.26 0.03 0.00 0.00 0.00 0.00 61.98 63.47 2dle s VAL 45 Cb -0.18 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.35 2dle s VAL 45 CO 0.13 0.37 0.01 0.00 0.00 0.00 0.00 175.10 175.60 2dle s ALA 46 N 0.15 2.65 0.05 5.51 0.00 -1.08 -0.16 121.76 128.89 2dle s ALA 46 Ca 0.32 -2.21 0.01 0.00 0.00 0.00 0.00 51.96 50.08 2dle s ALA 46 Cb -0.18 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.13 2dle s ALA 46 CO 0.17 -1.54 0.06 0.41 0.00 0.00 0.00 175.76 174.86 2dle n GLY 47 N 4.37 2.12 3.63 0.00 0.00 0.34 -3.24 105.19 112.41 2dle n GLY 47 Ca -0.02 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.21 3.86 -1.11 1.61 0.41 -1.26 -3.12 118.70 116.88 2dle s GLU 48 Ca 0.05 1.53 -0.02 0.00 -0.41 0.00 0.00 54.97 56.12 2dle s GLU 48 Cb -0.00 -3.97 0.01 0.00 -1.78 0.00 0.00 34.13 28.39 2dle s GLU 48 CO 0.03 -1.20 0.11 0.25 -0.49 0.00 0.00 175.26 173.96 2dle n THR 49 N 6.28 -0.72 -3.64 3.63 -2.24 -1.26 -4.90 114.28 111.44 2dle n THR 49 Ca 0.17 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.89 2dle n THR 49 Cb 0.46 -1.83 -0.07 0.00 -2.10 0.00 0.00 70.33 66.79 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 -2.18 -0.39 0.18 3.42 1.47 -1.18 -5.19 116.67 112.81 2dle s ASP 50 Ca 0.08 0.70 -0.04 0.00 1.18 0.00 0.00 52.55 54.48 2dle s ASP 50 Cb -0.04 0.84 -0.03 0.00 -0.34 0.00 0.00 42.92 43.35 2dle s ASP 50 CO 0.10 -0.12 0.18 -0.44 0.68 0.00 0.00 175.17 175.57 2dle s SER 51 N 0.51 0.14 0.26 2.11 0.01 -1.26 0.13 113.70 115.59 2dle s SER 51 Ca 0.00 -1.21 -0.21 0.00 1.31 0.00 0.00 55.95 55.83 2dle s SER 51 Cb -0.05 0.39 0.03 0.00 0.21 0.00 0.00 66.02 66.61 2dle s SER 51 CO -0.10 -0.86 0.71 -0.44 0.41 0.00 0.00 173.24 172.96 2dle s SER 52 N -3.09 -0.31 -0.01 2.44 0.01 0.78 -4.96 113.70 108.57 2dle s SER 52 Ca 0.30 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 57.10 2dle s SER 52 Cb 0.06 0.70 -0.01 0.00 0.21 0.00 0.00 66.02 66.97 2dle s SER 52 CO 0.08 -1.27 -0.14 0.20 0.41 0.00 0.00 173.24 172.52 2dle s ASN 53 N -2.89 1.60 0.23 2.44 -0.87 -1.26 0.56 114.94 114.76 2dle s ASN 53 Ca 0.09 -0.25 0.08 0.00 -1.57 0.00 0.00 52.86 51.21 2dle s ASN 53 Cb -0.05 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.25 40.96 2dle s ASN 53 CO 0.04 0.16 0.10 -0.22 -2.57 0.00 0.00 177.10 174.61 2dle s LEU 54 N -0.34 3.54 -0.20 0.60 2.96 0.22 -4.93 118.68 120.54 2dle s LEU 54 Ca 0.05 -0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2dle s LEU 54 Cb -0.05 -2.10 0.07 0.00 0.50 0.00 0.00 46.19 44.61 2dle s LEU 54 CO -0.00 0.01 0.09 0.54 -1.32 0.00 0.00 176.35 175.66 2dle s ASN 55 N -3.57 2.64 0.23 3.68 4.22 -1.26 -2.27 114.94 118.61 2dle s ASN 55 Ca 0.31 -0.77 0.00 0.00 -2.14 0.00 0.00 52.86 50.27 2dle s ASN 55 Cb -0.08 -0.30 -0.05 0.00 1.28 0.00 0.00 41.25 42.10 2dle s ASN 55 CO 0.22 -0.36 0.11 0.68 -2.04 0.00 0.00 177.10 175.71 2dle s VAL 56 N 2.10 0.32 -0.28 3.54 -7.23 -0.98 -4.99 120.40 112.88 2dle s VAL 56 Ca 0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2dle s VAL 56 Cb -0.16 -2.57 0.05 0.00 0.56 0.00 0.00 36.38 34.27 2dle s VAL 56 CO -0.14 -0.01 0.86 -0.24 -0.31 0.00 0.00 175.10 175.26 2dle n SER 57 N -0.38 1.80 -4.61 4.85 2.88 -1.26 -0.05 113.62 116.85 2dle n SER 57 Ca 0.01 -1.62 -0.24 0.00 -1.33 0.00 0.00 58.87 55.69 2dle n SER 57 Cb 0.66 -0.03 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 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 -0.67 2.19 0.00 -1.46 1.03 -1.26 -4.69 118.70 113.83 2dle s GLU 58 Ca 0.05 -1.45 0.09 0.00 0.03 0.00 0.00 54.97 53.69 2dle s GLU 58 Cb 0.03 -2.11 0.56 0.00 -0.80 0.00 0.00 34.13 31.81 2dle s GLU 58 CO 0.04 0.37 1.00 -0.35 -1.33 0.00 0.00 175.26 174.99 2dle n PRO 59 N -0.75 0.49 -4.18 -4.83 -0.04 -1.26 -4.69 135.00 119.75 2dle n PRO 59 Ca -0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 2dle n PRO 59 Cb 0.59 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.63 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 0.83 -0.30 0.54 1.70 -1.26 -2.29 118.95 116.17 2dle s ARG 60 Ca 0.14 -1.03 -0.11 0.00 -0.47 0.00 0.00 55.73 54.27 2dle s ARG 60 Cb 0.06 -0.74 0.16 0.00 -0.57 0.00 0.00 34.95 33.87 2dle s ARG 60 CO 0.11 0.15 0.83 0.00 -1.08 0.00 0.00 175.30 175.31 2dle s ALA 61 N -1.66 -2.54 0.07 7.88 0.00 -0.89 -4.90 121.76 119.72 2dle s ALA 61 Ca 0.01 2.00 -0.20 0.00 0.00 0.00 0.00 51.96 53.77 2dle s ALA 61 Cb -0.08 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.91 2dle s ALA 61 CO 0.02 -1.10 0.60 0.08 0.00 0.00 0.00 175.76 175.36 2dle s VAL 62 N 2.73 4.72 -0.53 0.00 1.01 -1.26 -2.79 120.40 124.29 2dle s VAL 62 Ca 0.01 1.28 -0.13 0.00 0.00 0.00 0.00 61.98 63.14 2dle s VAL 62 Cb -0.10 -3.93 0.13 0.00 0.00 0.00 0.00 36.38 32.47 2dle s VAL 62 CO -0.18 0.53 0.46 -0.63 0.00 0.00 0.00 175.10 175.28 2dle s ILE 63 N -0.94 4.87 1.14 2.22 -1.09 -0.21 -4.93 121.20 122.25 2dle s ILE 63 Ca 0.30 -1.65 -0.19 0.00 -2.23 0.00 0.00 60.65 56.88 2dle s ILE 63 Cb -0.20 -4.14 0.28 0.00 -1.58 0.00 0.00 42.46 36.82 2dle s ILE 63 CO 0.20 -0.84 1.01 -0.81 -1.23 0.00 0.00 174.94 173.26 2dle n PRO 64 N 5.07 -2.99 -3.69 2.79 -0.04 -1.26 -3.09 135.00 131.79 2dle n PRO 64 Ca -0.11 -1.62 -0.25 0.00 -0.04 0.00 0.00 63.50 61.48 2dle n PRO 64 Cb 0.40 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 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 -4.22 -0.80 4.00 0.55 0.00 -1.00 -4.79 105.19 98.93 2dle n GLY 65 Ca 0.14 0.35 -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 -5.34 2.91 0.23 0.99 1.43 -0.98 -4.96 118.68 112.96 2dle s LEU 66 Ca 0.16 -1.02 0.10 0.00 -1.03 0.00 0.00 54.13 52.34 2dle s LEU 66 Cb -0.09 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 2dle s LEU 66 CO 0.68 -1.34 -0.14 -0.60 0.23 0.00 0.00 176.35 175.18 2dle s ARG 67 N -4.59 1.88 0.08 1.70 3.52 -1.21 -4.40 118.95 115.93 2dle s ARG 67 Ca 0.54 -1.49 0.02 0.00 -0.13 0.00 0.00 55.73 54.67 2dle s ARG 67 Cb -0.04 -1.98 -0.04 0.00 -1.56 0.00 0.00 34.95 31.32 2dle s ARG 67 CO 0.34 0.38 0.12 -1.54 -0.81 0.00 0.00 175.30 173.79 2dle s SER 68 N -3.14 5.73 -1.27 -2.12 1.04 -1.22 -4.56 113.70 108.16 2dle s SER 68 Ca 0.27 0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.71 2dle s SER 68 Cb -0.07 -1.60 -0.01 0.00 0.10 0.00 0.00 66.02 64.45 2dle s SER 68 CO 0.15 0.16 0.73 -0.24 0.98 0.00 0.00 173.24 175.01 2dle n SER 69 N 0.33 -2.04 -3.73 7.02 2.88 -1.08 -4.96 113.62 112.05 2dle n SER 69 Ca -0.08 -0.83 -0.13 0.00 -1.33 0.00 0.00 58.87 56.50 2dle n SER 69 Cb 0.52 -4.07 -0.10 0.00 -0.75 0.00 0.00 64.21 59.81 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 -3.63 -0.00 0.48 2.46 2.01 -1.26 -5.03 115.64 110.67 2dle s THR 70 Ca 0.09 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 2dle s THR 70 Cb -0.02 -0.57 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 2dle s THR 70 CO 0.81 0.00 1.06 0.12 -0.69 0.00 0.00 174.62 175.92 2dle s PHE 71 N 0.34 2.98 0.03 4.92 5.36 -1.26 -3.70 117.98 126.64 2dle s PHE 71 Ca -0.01 1.58 -0.02 0.00 -0.96 0.00 0.00 56.93 57.52 2dle s PHE 71 Cb -0.03 -3.12 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 2dle s PHE 71 CO -0.01 -0.94 0.02 0.71 -1.46 0.00 0.00 175.22 173.53 2dle s TYR 72 N -1.89 0.27 -0.28 10.12 2.02 -1.09 -4.59 117.35 121.90 2dle s TYR 72 Ca 0.67 -0.57 -0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2dle s TYR 72 Cb -0.19 -0.20 0.09 0.00 -0.40 0.00 0.00 41.96 41.26 2dle s TYR 72 CO 0.23 -0.27 0.07 -0.80 -1.57 0.00 0.00 175.55 173.20 2dle s ASN 73 N -1.85 3.80 -0.04 2.29 0.01 -1.20 -3.47 114.94 114.47 2dle s ASN 73 Ca -0.09 -1.44 -0.10 0.00 -0.71 0.00 0.00 52.86 50.51 2dle s ASN 73 Cb -0.05 -0.85 -0.05 0.00 0.41 0.00 0.00 41.25 40.72 2dle s ASN 73 CO -0.03 -0.38 0.28 -0.63 -1.51 0.00 0.00 177.10 174.84 2dle s ILE 74 N 1.64 5.26 -0.23 0.60 1.01 -1.25 -2.64 121.20 125.59 2dle s ILE 74 Ca 0.06 0.49 -0.02 0.00 0.00 0.00 0.00 60.65 61.18 2dle s ILE 74 Cb -0.17 -3.57 0.07 0.00 0.01 0.00 0.00 42.46 38.80 2dle s ILE 74 CO -0.20 0.56 0.04 -0.89 0.00 0.00 0.00 174.94 174.45 2dle s THR 75 N -1.10 0.75 -0.44 2.92 2.01 -1.17 -3.05 115.64 115.56 2dle s THR 75 Ca 0.21 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 2dle s THR 75 Cb -0.14 -1.29 0.03 0.00 0.01 0.00 0.00 72.50 71.11 2dle s THR 75 CO 0.10 -0.30 0.54 -0.69 -0.69 0.00 0.00 174.62 173.58 2dle s VAL 76 N 1.74 4.97 -0.26 3.82 1.01 -0.60 -2.54 120.40 128.53 2dle s VAL 76 Ca 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 2dle s VAL 76 Cb -0.17 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.09 2dle s VAL 76 CO -0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 175.10 174.40 2dle s PRO 78 N 1.35 4.47 -0.22 0.00 0.04 -1.26 -2.61 135.00 136.76 2dle s PRO 78 Ca 0.00 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.06 2dle s PRO 78 Cb -0.17 -3.12 0.08 0.00 0.04 0.00 0.00 34.50 31.33 2dle s PRO 78 CO -0.03 -0.03 0.11 0.08 0.04 0.00 0.00 177.00 177.16 2dle s VAL 79 N -1.14 -0.08 -0.63 -0.36 1.01 -0.69 -2.46 120.40 116.05 2dle s VAL 79 Ca 0.47 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2dle s VAL 79 Cb -0.37 -0.76 0.19 0.00 0.00 0.00 0.00 36.38 35.45 2dle s VAL 79 CO 0.48 -0.48 2.43 -0.11 0.00 0.00 0.00 175.10 177.42 2dle n LEU 80 N 5.27 6.96 0.00 3.92 7.94 -1.12 -2.29 117.00 137.67 2dle n LEU 80 Ca -0.07 -4.41 0.00 0.00 -1.11 0.00 0.00 56.01 50.43 2dle n LEU 80 Cb 0.46 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.25 2dle n LEU 80 CO 0.07 1.74 0.00 0.61 -1.11 0.00 0.00 177.39 178.70 2dle n GLY 81 N 0.23 2.06 0.58 -3.96 0.00 -1.26 -4.22 105.19 98.62 2dle n GLY 81 Ca 0.51 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 4.19 1.70 -4.11 1.61 8.00 -1.26 -5.02 116.55 121.66 2dle n ASP 82 Ca 0.00 -3.40 -0.25 0.00 0.71 0.00 0.00 54.79 51.85 2dle n ASP 82 Cb 0.00 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 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 -2.62 1.30 -0.22 0.53 1.01 -1.26 -5.12 121.20 114.82 2dle s ILE 83 Ca 0.34 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.36 2dle s ILE 83 Cb 0.33 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.71 2dle s ILE 83 CO -0.06 0.38 -0.13 -1.61 0.00 0.00 0.00 174.94 173.52 2dle s GLU 84 N 0.09 2.75 0.00 2.79 2.02 -1.26 -2.78 118.70 122.30 2dle s GLU 84 Ca -0.04 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 53.94 2dle s GLU 84 Cb -0.11 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.34 2dle s GLU 84 CO 0.02 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.35 2dle n GLY 85 N 4.59 0.44 3.69 -1.39 0.00 -1.03 -4.93 105.19 106.56 2dle n GLY 85 Ca -0.18 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 2dle n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dle s THR 86 N 0.13 4.76 -0.06 2.61 2.01 -0.95 -4.70 115.64 119.44 2dle s THR 86 Ca 0.00 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.72 2dle s THR 86 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 2dle s THR 86 CO 0.00 0.03 1.50 -2.16 -0.69 0.00 0.00 174.62 173.30 2dle s PRO 87 N 1.83 4.22 -0.35 4.92 0.04 -1.26 -3.53 135.00 140.87 2dle s PRO 87 Ca 0.50 2.01 -0.25 0.00 0.04 0.00 0.00 61.00 63.30 2dle s PRO 87 Cb -0.19 -3.82 0.01 0.00 0.04 0.00 0.00 34.50 30.54 2dle s PRO 87 CO 0.20 -0.74 0.87 0.20 0.04 0.00 0.00 177.00 177.57 2dle s GLY 88 N 2.63 1.62 -0.04 0.56 0.00 0.61 -4.83 107.32 107.87 2dle s GLY 88 Ca 0.67 -0.45 -0.08 0.00 0.00 0.00 0.00 44.72 44.86 2dle s GLY 88 CO 0.25 1.91 0.25 -1.36 0.00 0.00 0.00 173.10 174.15 2dle s PHE 89 N 3.27 3.62 -0.20 1.90 0.40 -1.26 -1.56 117.98 124.14 2dle s PHE 89 Ca 0.36 0.64 -0.06 0.00 -0.60 0.00 0.00 56.93 57.28 2dle s PHE 89 Cb -0.13 -2.03 0.10 0.00 0.51 0.00 0.00 43.02 41.47 2dle s PHE 89 CO 0.16 0.67 0.39 -1.17 0.70 0.00 0.00 175.22 175.97 2dle s LEU 90 N -1.33 -0.60 0.14 -0.37 2.96 -1.17 -4.96 118.68 113.35 2dle s LEU 90 Ca 0.22 0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 54.57 2dle s LEU 90 Cb -0.13 1.20 -0.07 0.00 0.50 0.00 0.00 46.19 47.69 2dle s LEU 90 CO 0.11 -0.25 1.09 -1.10 -1.32 0.00 0.00 176.35 174.87 2dle s GLN 91 N 2.57 4.58 0.04 1.98 -0.21 -1.26 -3.79 119.66 123.57 2dle s GLN 91 Ca 0.02 1.66 0.02 0.00 0.02 0.00 0.00 55.36 57.08 2dle s GLN 91 Cb -0.13 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.54 2dle s GLN 91 CO -0.13 0.03 -0.07 0.14 -2.12 0.00 0.00 175.29 173.15 2dle s VAL 92 N 0.10 0.47 -0.18 1.09 -7.23 -1.23 -4.98 120.40 108.44 2dle s VAL 92 Ca 0.51 -1.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 2dle s VAL 92 Cb -0.28 -0.55 0.06 0.00 0.56 0.00 0.00 36.38 36.17 2dle s VAL 92 CO 0.33 -0.38 0.04 -2.28 -0.31 0.00 0.00 175.10 172.50 2dle s HIS 93 N -1.34 0.93 0.36 2.82 2.46 -1.26 -2.69 115.29 116.57 2dle s HIS 93 Ca -0.10 -0.75 -0.28 0.00 0.47 0.00 0.00 55.06 54.39 2dle s HIS 93 Cb -0.10 -0.98 -0.10 0.00 -0.13 0.00 0.00 32.58 31.27 2dle s HIS 93 CO 0.00 -0.58 1.40 0.95 -2.47 0.00 0.00 174.74 174.04 2dle s THR 94 N 1.89 2.37 0.60 0.89 -4.23 -1.24 -4.98 115.64 110.93 2dle s THR 94 Ca -0.00 0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 60.70 2dle s THR 94 Cb -0.17 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 2dle s THR 94 CO -0.08 0.08 1.12 -2.16 -0.54 0.00 0.00 174.62 173.05 2dle s PRO 95 N -2.00 3.09 0.28 3.99 0.04 -1.26 -2.63 135.00 136.51 2dle s PRO 95 Ca 0.52 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 2dle s PRO 95 Cb -0.43 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.03 2dle s PRO 95 CO 0.58 -1.04 1.25 -1.25 0.04 0.00 0.00 177.00 176.58 2dle s PRO 96 N -3.67 4.45 0.05 0.56 0.04 -1.26 -3.71 135.00 131.45 2dle s PRO 96 Ca 0.70 2.06 -0.35 0.00 0.04 0.00 0.00 61.00 63.44 2dle s PRO 96 Cb -0.22 -3.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.04 2dle s PRO 96 CO 0.34 -0.09 1.57 0.28 0.04 0.00 0.00 177.00 179.14 2dle n VAL 97 N 1.35 0.13 -1.65 -0.36 0.31 -1.26 -4.93 118.33 111.92 2dle n VAL 97 Ca 0.01 -0.02 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 2dle n VAL 97 Cb 0.43 -1.33 0.06 0.00 -0.91 0.00 0.00 33.84 32.08 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 1.59 2.69 -0.09 5.55 0.04 -1.26 -5.01 135.00 138.51 2dle s PRO 98 Ca 0.85 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 2dle s PRO 98 Cb -0.81 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 2dle s PRO 98 CO 0.46 -1.33 0.08 0.66 0.04 0.00 0.00 177.00 176.91 2dle h SER 99 N -0.22 -0.06 0.00 6.66 4.64 -2.06 -3.48 113.55 119.03 2dle h SER 99 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2dle h SER 99 Cb 1.24 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2dle h SER 99 CO 0.54 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 2dle n GLY 100 N 1.61 2.73 3.68 -0.77 0.00 -1.26 -4.83 105.19 106.35 2dle n GLY 100 Ca -0.01 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 0.49 0.41 1.61 0.04 -1.26 -5.08 135.00 131.21 2dle s PRO 101 Ca 0.00 0.55 0.07 0.00 0.04 0.00 0.00 61.00 61.66 2dle s PRO 101 Cb 0.00 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.73 2dle s PRO 101 CO 0.00 -2.70 0.07 0.45 0.04 0.00 0.00 177.00 174.86 2dle s SER 102 N -3.45 4.08 0.14 6.66 0.15 -1.26 -5.16 113.70 114.86 2dle s SER 102 Ca 0.65 -1.25 0.09 0.00 0.70 0.00 0.00 55.95 56.14 2dle s SER 102 Cb -0.19 -0.43 -0.04 0.00 -1.71 0.00 0.00 66.02 63.66 2dle s SER 102 CO 0.58 -0.47 -0.21 -0.55 1.20 0.00 0.00 173.24 173.78 2dle s SER 103 N -3.78 2.74 0.00 5.45 0.15 -1.26 -5.30 113.70 111.70 2dle s SER 103 Ca 0.37 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dle s SER 103 Cb 0.07 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.22 2dle s SER 103 CO 0.20 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.29