#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 -0.39 -0.38 1.61 1.04 -1.26 -5.13 113.70 109.19 2dle s SER 2 Ca 0.00 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.49 2dle s SER 2 Cb 0.00 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.71 2dle s SER 2 CO 0.00 -0.75 0.14 -0.55 0.98 0.00 0.00 173.24 173.07 2dle s SER 3 N -2.15 5.08 -0.55 7.02 0.15 -1.26 -5.05 113.70 116.94 2dle s SER 3 Ca -0.04 -2.04 -0.27 0.00 0.70 0.00 0.00 55.95 54.30 2dle s SER 3 Cb -0.00 -1.76 -0.10 0.00 -1.71 0.00 0.00 66.02 62.45 2dle s SER 3 CO -0.04 -0.48 2.44 0.61 1.20 0.00 0.00 173.24 176.98 2dle n GLY 4 N 4.48 0.14 3.72 9.45 0.00 -1.26 -4.92 105.19 116.80 2dle n GLY 4 Ca -0.01 0.75 -0.23 0.00 0.00 0.00 0.00 46.02 46.53 2dle n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dle s SER 5 N 11.31 4.59 -0.00 1.61 0.01 -1.26 -5.09 113.70 124.86 2dle s SER 5 Ca 1.05 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 57.18 2dle s SER 5 Cb -0.39 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 2dle s SER 5 CO 0.31 -0.31 1.34 -0.94 0.41 0.00 0.00 173.24 174.05 2dle s SER 6 N -3.83 6.91 0.00 2.44 1.04 -1.26 -4.87 113.70 114.12 2dle s SER 6 Ca 0.38 2.04 0.00 0.00 0.48 0.00 0.00 55.95 58.85 2dle s SER 6 Cb -0.02 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2dle s SER 6 CO 0.22 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2dle n GLY 7 N 3.54 -1.83 3.26 7.32 0.00 -1.26 -5.16 105.19 111.06 2dle n GLY 7 Ca 0.12 0.90 -0.13 0.00 0.00 0.00 0.00 46.02 46.91 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 0.00 -0.89 0.30 4.61 0.00 -1.26 -5.14 121.76 119.38 2dle s ALA 8 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2dle s ALA 8 Cb 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 23.12 22.59 2dle s ALA 8 CO 0.00 -0.20 1.54 -0.89 0.00 0.00 0.00 175.76 176.21 2dle n ILE 9 N 2.43 1.22 -3.66 0.00 5.41 -1.26 -4.96 119.36 118.54 2dle n ILE 9 Ca -0.15 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.17 2dle n ILE 9 Cb 0.57 -1.88 -0.12 0.00 -0.71 0.00 0.00 39.64 37.50 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 -0.82 0.21 -0.19 0.38 0.74 -1.26 -2.30 119.66 116.41 2dle s GLN 10 Ca 0.62 0.85 -0.24 0.00 0.05 0.00 0.00 55.36 56.64 2dle s GLN 10 Cb -0.52 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.67 2dle s GLN 10 CO 0.52 -0.28 0.80 0.08 -0.55 0.00 0.00 175.29 175.86 2dle s VAL 11 N 2.49 4.89 0.19 1.34 1.01 -1.22 -3.98 120.40 125.11 2dle s VAL 11 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 61.98 63.53 2dle s VAL 11 Cb -0.12 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2dle s VAL 11 CO -0.10 0.01 0.05 0.72 0.00 0.00 0.00 175.10 175.78 2dle s PHE 12 N 2.29 1.22 -0.61 5.22 -0.71 -0.88 -4.52 117.98 119.98 2dle s PHE 12 Ca 0.36 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.11 2dle s PHE 12 Cb -0.16 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 40.96 2dle s PHE 12 CO 0.11 -0.35 0.00 -3.47 -1.34 0.00 0.00 175.22 170.17 2dle n ASP 13 N -0.27 -3.13 -4.66 1.98 2.03 -1.26 -0.58 116.55 110.65 2dle n ASP 13 Ca -0.04 0.08 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 2dle n ASP 13 Cb 0.64 -1.85 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 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 -2.28 3.76 0.01 5.18 1.01 -1.26 -4.26 120.40 122.56 2dle s VAL 14 Ca 0.00 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.82 2dle s VAL 14 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2dle s VAL 14 CO 0.00 -0.08 0.21 -0.89 0.00 0.00 0.00 175.10 174.34 2dle s THR 15 N 3.75 0.08 -0.87 3.92 2.01 -0.57 -4.95 115.64 119.01 2dle s THR 15 Ca 0.68 -0.68 -0.25 0.00 0.31 0.00 0.00 61.69 61.75 2dle s THR 15 Cb -0.30 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2dle s THR 15 CO 0.26 -0.37 1.42 0.00 -0.69 0.00 0.00 174.62 175.23 2dle s ALA 16 N -1.70 2.66 0.47 7.40 0.00 -1.26 -2.50 121.76 126.83 2dle s ALA 16 Ca -0.12 -1.77 0.21 0.00 0.00 0.00 0.00 51.96 50.28 2dle s ALA 16 Cb -0.05 -4.40 1.22 0.00 0.00 0.00 0.00 23.12 19.89 2dle s ALA 16 CO 0.01 -3.54 1.93 -0.24 0.00 0.00 0.00 175.76 173.92 2dle h VAL 17 N 6.49 0.73 -1.87 0.00 3.04 -1.81 -3.42 116.25 119.41 2dle h VAL 17 Ca -0.03 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 2dle h VAL 17 Cb 1.03 0.49 -0.23 0.00 -2.01 0.00 0.00 31.29 30.58 2dle h VAL 17 CO 1.35 0.04 0.23 0.21 -1.01 0.00 0.00 177.57 178.39 2dle s ASN 18 N -5.97 -0.66 -0.27 3.17 3.84 -1.12 -4.99 114.94 108.94 2dle s ASN 18 Ca -0.07 1.27 -0.02 0.00 0.21 0.00 0.00 52.86 54.26 2dle s ASN 18 Cb 0.21 1.29 0.08 0.00 -0.55 0.00 0.00 41.25 42.28 2dle s ASN 18 CO 0.76 -0.22 0.07 -0.63 -2.79 0.00 0.00 177.10 174.29 2dle s ILE 19 N 0.34 0.75 0.36 -5.21 1.01 -1.26 -0.76 121.20 116.43 2dle s ILE 19 Ca 0.01 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.61 2dle s ILE 19 Cb -0.05 -1.43 0.07 0.00 0.01 0.00 0.00 42.46 41.05 2dle s ILE 19 CO -0.01 -0.49 0.50 -1.20 0.00 0.00 0.00 174.94 173.73 2dle n SER 20 N 4.93 0.99 -0.02 3.58 7.64 0.33 -4.63 113.62 126.44 2dle n SER 20 Ca -0.05 -1.76 -0.16 0.00 1.01 0.00 0.00 58.87 57.91 2dle n SER 20 Cb 0.44 -0.30 -0.11 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.09 0.06 -0.18 -0.43 0.00 -1.92 -3.35 119.26 113.34 2dle h ALA 21 Ca -0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.15 2dle h ALA 21 Cb 0.69 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 2dle h ALA 21 CO 0.21 0.16 -0.37 0.25 0.00 0.00 0.00 179.25 179.50 2dle n THR 22 N -4.43 2.37 -3.60 0.00 -2.24 -1.25 -3.60 114.28 101.52 2dle n THR 22 Ca -0.10 -3.15 -0.05 0.00 -2.27 0.00 0.00 64.05 58.48 2dle n THR 22 Cb 0.54 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2dle n THR 22 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2dle s SER 23 N -3.01 -0.16 -0.29 3.42 1.04 -1.26 -1.95 113.70 111.49 2dle s SER 23 Ca 0.42 0.07 -0.14 0.00 0.48 0.00 0.00 55.95 56.77 2dle s SER 23 Cb 0.39 0.16 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2dle s SER 23 CO -0.04 -0.23 0.78 -1.48 0.98 0.00 0.00 173.24 173.25 2dle s LEU 24 N -1.81 -0.86 -0.14 2.42 0.05 -1.13 0.12 118.68 117.34 2dle s LEU 24 Ca 0.07 1.29 -0.10 0.00 0.05 0.00 0.00 54.13 55.45 2dle s LEU 24 Cb -0.01 2.14 -0.05 0.00 -2.05 0.00 0.00 46.19 46.23 2dle s LEU 24 CO -0.05 -0.20 0.20 -0.89 -0.55 0.00 0.00 176.35 174.87 2dle s THR 25 N 1.97 5.38 0.22 5.48 2.01 0.06 -0.54 115.64 130.22 2dle s THR 25 Ca -0.08 0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.35 2dle s THR 25 Cb -0.06 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2dle s THR 25 CO -0.18 0.52 0.03 -0.22 -0.69 0.00 0.00 174.62 174.08 2dle s LEU 26 N -0.36 3.36 -0.08 4.42 2.96 -0.45 -2.52 118.68 126.01 2dle s LEU 26 Ca 0.14 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 2dle s LEU 26 Cb -0.12 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2dle s LEU 26 CO 0.03 0.04 0.40 0.27 -1.32 0.00 0.00 176.35 175.78 2dle s ILE 27 N -1.99 0.03 0.06 6.68 -4.36 -1.04 -2.55 121.20 118.03 2dle s ILE 27 Ca 0.30 -0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.33 2dle s ILE 27 Cb -0.08 -0.65 0.02 0.00 1.25 0.00 0.00 42.46 42.99 2dle s ILE 27 CO 0.20 -0.12 0.30 -1.66 0.24 0.00 0.00 174.94 173.89 2dle s TRP 28 N -0.69 -0.08 -0.17 1.37 -2.14 -1.04 -1.51 118.94 114.68 2dle s TRP 28 Ca -0.08 -0.13 -0.05 0.00 2.66 0.00 0.00 56.10 58.51 2dle s TRP 28 Cb -0.04 0.09 -0.03 0.00 -3.10 0.00 0.00 33.47 30.40 2dle s TRP 28 CO 0.04 -0.53 -0.01 0.21 -2.66 0.00 0.00 176.95 173.99 2dle s LYS 29 N -2.91 3.72 0.13 3.25 2.20 0.25 -4.85 119.74 121.53 2dle s LYS 29 Ca -0.02 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2dle s LYS 29 Cb 0.00 -2.99 -0.05 0.00 -1.51 0.00 0.00 37.83 33.28 2dle s LYS 29 CO -0.06 0.22 0.35 0.08 -0.36 0.00 0.00 175.35 175.58 2dle s VAL 30 N 0.45 5.20 -0.82 4.02 1.01 -1.26 -2.08 120.40 126.91 2dle s VAL 30 Ca -0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 2dle s VAL 30 Cb -0.14 -3.62 -0.22 0.00 0.00 0.00 0.00 36.38 32.40 2dle s VAL 30 CO 0.02 0.06 2.12 -0.24 0.00 0.00 0.00 175.10 177.06 2dle n SER 31 N 0.13 -0.04 -4.50 3.32 2.88 -1.26 -2.53 113.62 111.61 2dle n SER 31 Ca -0.03 -1.19 -0.41 0.00 -1.33 0.00 0.00 58.87 55.92 2dle n SER 31 Cb 0.52 -1.08 -0.08 0.00 -0.75 0.00 0.00 64.21 62.81 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 11.76 -1.31 -3.84 -3.46 8.00 -1.26 -0.14 116.55 126.30 2dle n ASP 32 Ca 0.50 -1.25 -0.29 0.00 0.71 0.00 0.00 54.79 54.46 2dle n ASP 32 Cb 0.32 -1.62 -0.07 0.00 -0.02 0.00 0.00 41.12 39.73 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 -2.55 -0.51 -4.68 -2.24 0.23 -1.05 -4.73 115.26 99.72 2dle n ASN 33 Ca 0.03 -0.96 -0.46 0.00 -0.53 0.00 0.00 54.58 52.67 2dle n ASN 33 Cb 0.50 -1.21 -0.04 0.00 -2.08 0.00 0.00 39.78 36.95 2dle n ASN 33 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2dle n GLU 34 N -3.42 2.29 -4.04 -3.83 2.13 0.81 -2.27 120.64 112.32 2dle n GLU 34 Ca -0.05 0.83 -0.28 0.00 0.66 0.00 0.00 57.16 58.33 2dle n GLU 34 Cb 0.42 -2.64 -0.07 0.00 0.27 0.00 0.00 31.44 29.41 2dle n GLU 34 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2dle n SER 35 N 4.51 0.37 -3.72 4.31 7.64 -1.26 -4.70 113.62 120.77 2dle n SER 35 Ca 0.18 -1.08 -0.42 0.00 1.01 0.00 0.00 58.87 58.56 2dle n SER 35 Cb 0.31 -1.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 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 -2.32 2.68 -4.49 6.43 3.41 -0.96 -4.88 113.62 113.50 2dle n SER 36 Ca -0.26 -2.69 -0.38 0.00 -0.26 0.00 0.00 58.87 55.27 2dle n SER 36 Cb 0.58 -1.21 -0.12 0.00 -0.26 0.00 0.00 64.21 63.20 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 4.99 5.62 -1.06 4.04 0.15 -1.26 -4.47 113.70 121.70 2dle s SER 37 Ca 0.58 -0.32 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 2dle s SER 37 Cb 0.13 -2.03 0.05 0.00 -1.71 0.00 0.00 66.02 62.46 2dle s SER 37 CO 0.11 -0.13 0.28 0.59 1.20 0.00 0.00 173.24 175.29 2dle n ASN 38 N 5.00 -3.32 -4.71 5.45 3.02 -1.26 -4.84 115.26 114.60 2dle n ASN 38 Ca -0.14 -0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 2dle n ASN 38 Cb 0.50 -2.80 -0.03 0.00 -0.61 0.00 0.00 39.78 36.84 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 -2.72 2.77 0.33 3.10 1.51 -1.26 -4.74 117.35 116.33 2dle s TYR 39 Ca 0.25 0.35 0.09 0.00 -1.01 0.00 0.00 57.07 56.75 2dle s TYR 39 Cb -0.13 -4.07 -0.06 0.00 -0.11 0.00 0.00 41.96 37.59 2dle s TYR 39 CO 0.30 -4.13 -0.04 0.95 -1.11 0.00 0.00 175.55 171.53 2dle s THR 40 N 1.59 2.58 -0.04 -0.71 -4.23 -0.75 -4.32 115.64 109.76 2dle s THR 40 Ca 0.75 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2dle s THR 40 Cb -0.46 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 70.70 2dle s THR 40 CO 0.33 -0.24 0.05 -0.31 -0.54 0.00 0.00 174.62 173.91 2dle s TYR 41 N -2.52 0.16 -0.58 3.99 2.02 0.31 -1.00 117.35 119.72 2dle s TYR 41 Ca 0.33 0.18 -0.19 0.00 -0.37 0.00 0.00 57.07 57.03 2dle s TYR 41 Cb -0.01 -0.52 0.10 0.00 -0.40 0.00 0.00 41.96 41.13 2dle s TYR 41 CO 0.18 -0.21 0.69 0.15 -1.57 0.00 0.00 175.55 174.80 2dle s LYS 42 N 2.06 3.05 -0.18 -0.62 1.02 -0.76 -1.40 119.74 122.92 2dle s LYS 42 Ca 0.04 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.52 2dle s LYS 42 Cb -0.12 -4.25 -0.02 0.00 -0.52 0.00 0.00 37.83 32.92 2dle s LYS 42 CO -0.03 -1.50 0.75 0.42 -0.92 0.00 0.00 175.35 174.07 2dle s ILE 43 N 2.66 4.94 -0.37 2.17 1.09 -0.05 -3.28 121.20 128.36 2dle s ILE 43 Ca 0.12 1.45 -0.02 0.00 -1.10 0.00 0.00 60.65 61.10 2dle s ILE 43 Cb -0.24 -4.06 0.09 0.00 -1.06 0.00 0.00 42.46 37.20 2dle s ILE 43 CO 0.07 0.07 0.14 -2.28 -0.10 0.00 0.00 174.94 172.83 2dle s HIS 44 N 2.00 3.53 -0.17 3.97 2.46 -1.15 -1.15 115.29 124.78 2dle s HIS 44 Ca 0.35 -2.34 -0.21 0.00 0.47 0.00 0.00 55.06 53.32 2dle s HIS 44 Cb -0.16 -2.92 -0.03 0.00 -0.13 0.00 0.00 32.58 29.34 2dle s HIS 44 CO 0.12 -0.93 0.61 0.08 -2.47 0.00 0.00 174.74 172.16 2dle s VAL 45 N 1.14 5.05 -0.32 0.89 1.01 -0.10 -3.17 120.40 124.89 2dle s VAL 45 Ca 0.05 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.24 2dle s VAL 45 Cb -0.22 -3.94 0.09 0.00 0.00 0.00 0.00 36.38 32.32 2dle s VAL 45 CO -0.04 0.16 0.04 0.00 0.00 0.00 0.00 175.10 175.26 2dle s ALA 46 N 1.61 2.62 0.00 5.51 0.00 -1.15 -0.54 121.76 129.81 2dle s ALA 46 Ca 0.29 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 49.97 2dle s ALA 46 Cb -0.16 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2dle s ALA 46 CO 0.11 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.66 2dle n GLY 47 N 4.38 3.13 3.73 0.00 0.00 -1.00 -2.68 105.19 112.74 2dle n GLY 47 Ca 0.01 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 2dle n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dle s GLU 48 N 2.98 4.51 -1.28 1.61 -1.05 -1.26 -4.02 118.70 120.19 2dle s GLU 48 Ca 0.00 1.11 -0.16 0.00 -0.15 0.00 0.00 54.97 55.77 2dle s GLU 48 Cb 0.00 -3.39 0.16 0.00 -0.44 0.00 0.00 34.13 30.46 2dle s GLU 48 CO 0.00 0.19 0.41 0.25 0.95 0.00 0.00 175.26 177.06 2dle n THR 49 N 3.14 0.00 -3.62 1.83 -2.24 -1.26 -4.79 114.28 107.34 2dle n THR 49 Ca -0.01 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 2dle n THR 49 Cb 0.50 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 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 -2.60 -0.23 -0.05 3.42 2.15 -1.26 -5.19 116.67 112.92 2dle s ASP 50 Ca 0.57 -0.16 -0.31 0.00 0.43 0.00 0.00 52.55 53.08 2dle s ASP 50 Cb -0.33 0.37 0.07 0.00 -0.30 0.00 0.00 42.92 42.73 2dle s ASP 50 CO 0.70 -0.64 0.70 -0.94 -0.17 0.00 0.00 175.17 174.82 2dle s SER 51 N -2.68 -0.64 0.31 -0.34 1.04 -1.26 -2.38 113.70 107.75 2dle s SER 51 Ca 0.09 0.66 -0.00 0.00 0.48 0.00 0.00 55.95 57.18 2dle s SER 51 Cb -0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 2dle s SER 51 CO -0.04 -0.61 0.36 -0.44 0.98 0.00 0.00 173.24 173.49 2dle s SER 52 N -1.27 0.92 -0.19 7.02 0.01 0.30 -5.00 113.70 115.47 2dle s SER 52 Ca -0.10 -1.50 -0.28 0.00 1.31 0.00 0.00 55.95 55.39 2dle s SER 52 Cb -0.00 0.58 0.10 0.00 0.21 0.00 0.00 66.02 66.91 2dle s SER 52 CO 0.08 -1.14 0.85 0.54 0.41 0.00 0.00 173.24 173.98 2dle s ASN 53 N -3.24 -0.56 -0.13 2.44 4.22 -1.26 -0.93 114.94 115.48 2dle s ASN 53 Ca 0.34 0.88 -0.08 0.00 -2.14 0.00 0.00 52.86 51.86 2dle s ASN 53 Cb 0.02 0.81 0.05 0.00 1.28 0.00 0.00 41.25 43.41 2dle s ASN 53 CO 0.20 -0.34 0.31 -1.48 -2.04 0.00 0.00 177.10 173.76 2dle s LEU 54 N -0.40 0.33 -0.20 3.54 2.34 -0.30 -4.99 118.68 119.01 2dle s LEU 54 Ca -0.02 0.67 -0.07 0.00 0.06 0.00 0.00 54.13 54.76 2dle s LEU 54 Cb -0.03 1.01 -0.04 0.00 -0.56 0.00 0.00 46.19 46.58 2dle s LEU 54 CO 0.02 -0.16 0.07 0.20 -1.06 0.00 0.00 176.35 175.41 2dle s ASN 55 N 1.07 5.54 0.10 1.48 -0.87 -1.26 -0.87 114.94 120.13 2dle s ASN 55 Ca -0.07 0.02 0.02 0.00 -1.57 0.00 0.00 52.86 51.26 2dle s ASN 55 Cb -0.08 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.15 2dle s ASN 55 CO -0.08 0.13 -0.07 0.68 -2.57 0.00 0.00 177.10 175.20 2dle s VAL 56 N 0.63 0.69 -0.39 1.60 -7.23 -0.49 -4.93 120.40 110.27 2dle s VAL 56 Ca 0.03 -1.91 0.22 0.00 -1.81 0.00 0.00 61.98 58.51 2dle s VAL 56 Cb -0.13 -1.66 -0.21 0.00 0.56 0.00 0.00 36.38 34.94 2dle s VAL 56 CO 0.01 -0.86 0.79 -0.24 -0.31 0.00 0.00 175.10 174.49 2dle n SER 57 N -0.00 0.46 -4.89 4.85 2.88 -1.26 0.11 113.62 115.77 2dle n SER 57 Ca -0.12 -0.19 -0.30 0.00 -1.33 0.00 0.00 58.87 56.93 2dle n SER 57 Cb 0.61 1.27 -0.04 0.00 -0.75 0.00 0.00 64.21 65.30 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 -3.32 3.71 0.00 -1.46 -1.05 -1.26 -4.64 118.70 110.68 2dle s GLU 58 Ca -0.01 0.20 0.09 0.00 -0.15 0.00 0.00 54.97 55.09 2dle s GLU 58 Cb 0.14 -2.57 0.51 0.00 -0.44 0.00 0.00 34.13 31.77 2dle s GLU 58 CO 0.85 0.16 0.96 -0.35 0.95 0.00 0.00 175.26 177.83 2dle n PRO 59 N -0.88 0.49 -4.36 -4.83 -0.04 -1.26 -4.70 135.00 119.41 2dle n PRO 59 Ca -0.00 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.21 2dle n PRO 59 Cb 0.54 -1.27 -0.12 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.35 -0.30 0.54 1.70 -1.26 -2.49 118.95 116.49 2dle s ARG 60 Ca 0.13 -1.41 -0.12 0.00 -0.47 0.00 0.00 55.73 53.86 2dle s ARG 60 Cb 0.06 -1.58 0.14 0.00 -0.57 0.00 0.00 34.95 33.00 2dle s ARG 60 CO 0.10 0.34 0.75 0.00 -1.08 0.00 0.00 175.30 175.41 2dle s ALA 61 N -1.69 -2.23 0.07 7.88 0.00 -1.06 -4.92 121.76 119.82 2dle s ALA 61 Ca 0.16 2.27 -0.02 0.00 0.00 0.00 0.00 51.96 54.36 2dle s ALA 61 Cb -0.08 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2dle s ALA 61 CO 0.07 -0.92 0.26 0.54 0.00 0.00 0.00 175.76 175.71 2dle s VAL 62 N 2.73 5.32 -0.35 0.00 0.11 -1.26 -1.34 120.40 125.61 2dle s VAL 62 Ca -0.05 -0.18 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 2dle s VAL 62 Cb -0.10 -3.61 0.10 0.00 -1.53 0.00 0.00 36.38 31.24 2dle s VAL 62 CO -0.19 0.16 0.07 -0.63 -3.33 0.00 0.00 175.10 171.19 2dle s ILE 63 N -1.50 2.40 0.88 7.04 -1.09 0.30 -4.94 121.20 124.29 2dle s ILE 63 Ca 0.35 -2.35 -0.15 0.00 -2.23 0.00 0.00 60.65 56.27 2dle s ILE 63 Cb -0.13 -2.76 0.22 0.00 -1.58 0.00 0.00 42.46 38.21 2dle s ILE 63 CO 0.25 -0.62 0.78 -0.81 -1.23 0.00 0.00 174.94 173.31 2dle n PRO 64 N 4.24 -2.55 -3.76 2.79 -0.04 -1.26 -2.86 135.00 131.57 2dle n PRO 64 Ca 0.03 -1.25 -0.28 0.00 -0.04 0.00 0.00 63.50 61.97 2dle n PRO 64 Cb 0.42 -1.17 0.01 0.00 -0.04 0.00 0.00 33.50 32.71 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 -2.71 -0.80 3.76 0.55 0.00 -0.82 -4.75 105.19 100.42 2dle n GLY 65 Ca 0.11 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.64 3.82 -0.12 0.99 1.43 -1.16 -4.96 118.68 113.05 2dle s LEU 66 Ca 0.20 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 53.18 2dle s LEU 66 Cb -0.11 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2dle s LEU 66 CO 0.71 0.27 0.67 -0.13 0.23 0.00 0.00 176.35 178.10 2dle s ARG 67 N -1.76 4.36 0.48 1.70 3.00 -1.26 -3.95 118.95 121.52 2dle s ARG 67 Ca 0.23 0.78 -0.22 0.00 0.00 0.00 0.00 55.73 56.52 2dle s ARG 67 Cb -0.12 -3.49 -0.07 0.00 0.00 0.00 0.00 34.95 31.27 2dle s ARG 67 CO 0.14 -0.04 1.12 -1.54 0.00 0.00 0.00 175.30 174.98 2dle s SER 68 N 0.91 6.13 -1.28 0.23 1.04 -1.24 -3.58 113.70 115.92 2dle s SER 68 Ca 0.34 2.17 -0.02 0.00 0.48 0.00 0.00 55.95 58.92 2dle s SER 68 Cb -0.17 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.37 2dle s SER 68 CO 0.15 -0.94 0.92 -0.24 0.98 0.00 0.00 173.24 174.11 2dle n SER 69 N -0.76 -2.48 -3.92 7.02 2.88 -1.18 -4.97 113.62 110.21 2dle n SER 69 Ca 0.09 -0.69 -0.13 0.00 -1.33 0.00 0.00 58.87 56.81 2dle n SER 69 Cb 0.50 -4.67 -0.14 0.00 -0.75 0.00 0.00 64.21 59.15 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 -3.45 0.18 0.11 2.46 2.01 -1.23 -5.00 115.64 110.72 2dle s THR 70 Ca 0.12 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 2dle s THR 70 Cb -0.06 -0.17 -0.06 0.00 0.01 0.00 0.00 72.50 72.22 2dle s THR 70 CO 0.76 -0.00 0.94 0.12 -0.69 0.00 0.00 174.62 175.75 2dle s PHE 71 N -0.19 3.81 0.02 4.92 5.36 -1.26 -3.56 117.98 127.09 2dle s PHE 71 Ca -0.01 1.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.77 2dle s PHE 71 Cb -0.02 -3.03 -0.02 0.00 -0.34 0.00 0.00 43.02 39.62 2dle s PHE 71 CO -0.00 0.23 -0.09 0.71 -1.46 0.00 0.00 175.22 174.60 2dle s TYR 72 N -0.06 0.82 -0.30 10.12 2.02 -1.17 -4.40 117.35 124.37 2dle s TYR 72 Ca 0.46 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.87 2dle s TYR 72 Cb -0.23 -0.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.92 2dle s TYR 72 CO 0.29 -0.02 0.03 -0.80 -1.57 0.00 0.00 175.55 173.49 2dle s ASN 73 N -0.92 4.35 -0.02 2.29 0.01 -1.09 -3.09 114.94 116.46 2dle s ASN 73 Ca -0.02 -1.76 -0.14 0.00 -0.71 0.00 0.00 52.86 50.23 2dle s ASN 73 Cb -0.07 -1.31 -0.05 0.00 0.41 0.00 0.00 41.25 40.23 2dle s ASN 73 CO 0.00 -0.35 0.37 -0.63 -1.51 0.00 0.00 177.10 174.99 2dle s ILE 74 N 1.22 5.10 -0.26 0.60 1.01 -1.24 -2.92 121.20 124.70 2dle s ILE 74 Ca 0.06 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 2dle s ILE 74 Cb -0.19 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 38.70 2dle s ILE 74 CO -0.12 0.58 0.06 -0.89 0.00 0.00 0.00 174.94 174.57 2dle s THR 75 N -1.02 0.72 -0.31 2.92 2.01 -1.19 -2.92 115.64 115.85 2dle s THR 75 Ca 0.22 -1.01 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 2dle s THR 75 Cb -0.16 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 2dle s THR 75 CO 0.12 -0.45 0.54 -0.69 -0.69 0.00 0.00 174.62 173.45 2dle s VAL 76 N 1.73 5.01 -0.18 3.82 1.01 -0.73 -2.94 120.40 128.12 2dle s VAL 76 Ca 0.04 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2dle s VAL 76 Cb -0.17 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.31 2dle s VAL 76 CO -0.18 -0.09 -0.16 0.00 0.00 0.00 0.00 175.10 174.67 2dle s PRO 78 N 1.33 3.41 -0.16 0.00 0.04 -1.26 -1.83 135.00 136.54 2dle s PRO 78 Ca 0.03 1.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 2dle s PRO 78 Cb -0.14 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.41 2dle s PRO 78 CO -0.11 -0.81 0.19 0.08 0.04 0.00 0.00 177.00 176.40 2dle s VAL 79 N -1.74 -0.29 -0.61 -0.36 1.01 -0.17 -2.80 120.40 115.44 2dle s VAL 79 Ca 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2dle s VAL 79 Cb -0.25 -0.55 0.44 0.00 0.00 0.00 0.00 36.38 36.02 2dle s VAL 79 CO 0.28 -0.11 2.02 -0.11 0.00 0.00 0.00 175.10 177.19 2dle n LEU 80 N 5.32 7.46 0.00 3.92 7.94 -1.07 -1.81 117.00 138.76 2dle n LEU 80 Ca -0.05 -4.10 0.00 0.00 -1.11 0.00 0.00 56.01 50.75 2dle n LEU 80 Cb 0.50 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.47 2dle n LEU 80 CO 0.07 1.40 0.00 0.61 -1.11 0.00 0.00 177.39 178.36 2dle n GLY 81 N -0.78 2.07 0.00 -3.96 0.00 -1.26 -4.47 105.19 96.78 2dle n GLY 81 Ca 0.59 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.71 0.31 -4.82 1.61 2.03 -1.26 -5.06 116.55 111.06 2dle n ASP 82 Ca 0.00 -0.78 -0.36 0.00 0.52 0.00 0.00 54.79 54.17 2dle n ASP 82 Cb 0.00 0.12 -0.07 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.12 5.38 -0.22 5.18 1.01 -1.26 -5.09 121.20 126.08 2dle s ILE 83 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.83 2dle s ILE 83 Cb 0.00 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.14 2dle s ILE 83 CO 0.00 0.57 -0.15 -1.61 0.00 0.00 0.00 174.94 173.75 2dle s GLU 84 N -0.64 2.70 0.00 2.79 2.02 -1.26 -2.59 118.70 121.72 2dle s GLU 84 Ca 0.13 -1.03 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2dle s GLU 84 Cb -0.12 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.38 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 4.56 -0.86 3.67 -1.39 0.00 -1.12 -4.96 105.19 105.09 2dle n GLY 85 Ca -0.18 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 4.92 -0.08 2.61 2.01 -0.97 -4.77 115.64 119.36 2dle s THR 86 Ca 0.00 1.54 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 2dle s THR 86 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2dle s THR 86 CO 0.00 0.06 1.51 -2.16 -0.69 0.00 0.00 174.62 173.35 2dle s PRO 87 N 1.97 4.20 -0.28 4.92 0.04 -1.26 -3.43 135.00 141.16 2dle s PRO 87 Ca 0.37 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 2dle s PRO 87 Cb -0.17 -3.88 0.01 0.00 0.04 0.00 0.00 34.50 30.50 2dle s PRO 87 CO 0.13 -0.78 0.94 0.20 0.04 0.00 0.00 177.00 177.52 2dle s GLY 88 N 2.79 1.67 -0.04 0.56 0.00 0.11 -4.83 107.32 107.59 2dle s GLY 88 Ca 0.67 -0.13 -0.09 0.00 0.00 0.00 0.00 44.72 45.17 2dle s GLY 88 CO 0.25 2.01 0.26 -1.36 0.00 0.00 0.00 173.10 174.25 2dle s PHE 89 N 3.19 3.62 -0.20 1.90 0.40 -1.26 -1.77 117.98 123.86 2dle s PHE 89 Ca 0.39 0.65 -0.05 0.00 -0.60 0.00 0.00 56.93 57.33 2dle s PHE 89 Cb -0.14 -2.04 0.10 0.00 0.51 0.00 0.00 43.02 41.45 2dle s PHE 89 CO 0.11 0.66 0.35 -1.17 0.70 0.00 0.00 175.22 175.88 2dle s LEU 90 N -1.36 -0.52 -0.00 -0.37 2.96 -1.15 -4.97 118.68 113.27 2dle s LEU 90 Ca 0.22 0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 54.37 2dle s LEU 90 Cb -0.14 1.05 -0.04 0.00 0.50 0.00 0.00 46.19 47.56 2dle s LEU 90 CO 0.11 -0.26 1.13 -1.58 -1.32 0.00 0.00 176.35 174.43 2dle s GLN 91 N 2.52 4.44 0.10 1.98 0.74 -1.26 -3.73 119.66 124.44 2dle s GLN 91 Ca 0.05 1.62 0.08 0.00 0.05 0.00 0.00 55.36 57.16 2dle s GLN 91 Cb -0.14 -3.45 -0.03 0.00 1.10 0.00 0.00 33.01 30.49 2dle s GLN 91 CO -0.13 -0.27 -0.20 0.14 -0.55 0.00 0.00 175.29 174.28 2dle s VAL 92 N 1.48 1.67 -0.24 1.34 -7.23 -1.18 -5.01 120.40 111.24 2dle s VAL 92 Ca 0.55 -1.50 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2dle s VAL 92 Cb -0.25 -1.52 0.08 0.00 0.56 0.00 0.00 36.38 35.25 2dle s VAL 92 CO 0.26 -0.05 0.08 -2.28 -0.31 0.00 0.00 175.10 172.79 2dle s HIS 93 N -1.14 0.93 0.32 2.82 2.46 -1.26 -3.01 115.29 116.40 2dle s HIS 93 Ca 0.06 -0.99 -0.28 0.00 0.47 0.00 0.00 55.06 54.31 2dle s HIS 93 Cb -0.10 -1.11 -0.13 0.00 -0.13 0.00 0.00 32.58 31.11 2dle s HIS 93 CO 0.04 -0.70 1.22 0.25 -2.47 0.00 0.00 174.74 173.08 2dle n THR 94 N 5.07 1.94 -2.26 0.89 -2.24 -1.23 -4.94 114.28 111.52 2dle n THR 94 Ca -0.06 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 2dle n THR 94 Cb 0.45 -1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 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 -1.72 3.62 -0.13 -0.78 0.04 -1.26 -3.10 135.00 131.67 2dle s PRO 95 Ca 0.57 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 63.03 2dle s PRO 95 Cb -0.61 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2dle s PRO 95 CO 0.61 -0.66 1.55 -1.25 0.04 0.00 0.00 177.00 177.29 2dle s PRO 96 N -2.90 4.07 -0.22 0.56 0.04 -1.26 -3.85 135.00 131.44 2dle s PRO 96 Ca 0.67 1.89 -0.34 0.00 0.04 0.00 0.00 61.00 63.26 2dle s PRO 96 Cb -0.27 -3.95 -0.16 0.00 0.04 0.00 0.00 34.50 30.17 2dle s PRO 96 CO 0.32 -0.95 1.07 0.28 0.04 0.00 0.00 177.00 177.76 2dle n VAL 97 N 5.74 0.00 -1.98 -0.36 0.31 -1.26 -4.86 118.33 115.93 2dle n VAL 97 Ca 0.17 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.16 2dle n VAL 97 Cb 0.44 -0.22 0.03 0.00 -0.91 0.00 0.00 33.84 33.18 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 1.32 3.05 0.26 5.55 0.04 -1.26 -5.07 135.00 138.89 2dle s PRO 98 Ca 0.77 1.49 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2dle s PRO 98 Cb -1.10 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 2dle s PRO 98 CO 0.56 -1.07 -0.03 -1.12 0.04 0.00 0.00 177.00 175.38 2dle s SER 99 N -2.23 2.37 0.00 6.66 0.01 -1.26 -5.09 113.70 114.16 2dle s SER 99 Ca 0.69 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2dle s SER 99 Cb -0.22 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2dle s SER 99 CO 0.35 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2dle n GLY 100 N -0.52 -0.49 0.00 3.44 0.00 -1.26 -4.91 105.19 101.44 2dle n GLY 100 Ca -0.05 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 0.49 -0.99 1.61 -0.04 -1.26 -4.87 135.00 129.94 2dle n PRO 101 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 2dle n PRO 101 Cb 0.00 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.15 2dle n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dle n SER 102 N -0.85 -5.34 -4.73 3.54 7.64 -1.26 -4.81 113.62 107.81 2dle n SER 102 Ca 0.08 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 2dle n SER 102 Cb 0.04 -0.73 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 2dle n SER 102 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dle s SER 103 N -1.05 6.91 0.00 6.43 0.15 -1.26 -5.22 113.70 119.66 2dle s SER 103 Ca 0.40 2.32 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2dle s SER 103 Cb -0.13 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2dle s SER 103 CO 0.79 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 175.29