#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 h LEU 1 N 0.00 0.44 0.00 0.99 3.38 -1.94 -3.47 115.31 114.71 1n02 h LEU 1 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1n02 h LEU 1 Cb 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1n02 h LEU 1 CO 0.00 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.59 1n02 n GLY 2 N -0.85 -1.95 3.00 0.83 0.00 -1.15 -4.76 105.19 100.32 1n02 n GLY 2 Ca -0.01 0.56 -0.03 0.00 0.00 0.00 0.00 46.02 46.54 1n02 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n02 n LYS 3 N -1.86 -1.40 -0.02 1.61 4.76 0.10 -4.69 118.16 116.66 1n02 n LYS 3 Ca 0.00 1.33 -0.21 0.00 -2.87 0.00 0.00 58.31 56.56 1n02 n LYS 3 Cb 0.00 -5.53 -0.14 0.00 -1.84 0.00 0.00 35.03 27.52 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1n02 n PHE 4 N -1.98 1.01 0.32 2.13 -1.74 -1.23 -4.09 117.46 111.88 1n02 n PHE 4 Ca -0.01 0.22 0.21 0.00 -0.56 0.00 0.00 57.45 57.30 1n02 n PHE 4 Cb 0.52 -1.13 1.04 0.00 1.52 0.00 0.00 39.48 41.43 1n02 n PHE 4 CO 0.00 0.00 0.00 0.97 -0.56 0.00 0.00 176.76 177.17 1n02 h ILE 5 N 0.06 0.00 0.00 1.97 6.09 -1.85 0.04 117.51 123.81 1n02 h ILE 5 Ca -0.45 -0.17 -0.06 0.00 -1.37 0.00 0.00 64.86 62.81 1n02 h ILE 5 Cb 2.01 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 40.46 1n02 h ILE 5 CO 0.05 0.00 -0.28 -0.33 -3.07 0.00 0.00 178.15 174.52 1n02 h GLU 6 N 0.00 0.00 -0.05 2.19 4.39 -1.97 -3.14 114.58 116.00 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n02 h GLU 6 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1n02 h GLU 6 CO 0.00 0.28 0.00 0.25 -1.16 0.00 0.00 179.01 178.38 1n02 n THR 7 N -3.34 1.38 -4.21 1.13 -2.24 -0.29 -5.03 114.28 101.68 1n02 n THR 7 Ca 0.01 -1.48 -0.17 0.00 -2.27 0.00 0.00 64.05 60.14 1n02 n THR 7 Cb 0.51 0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 1n02 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n02 s ARG 9 N -2.68 1.60 -1.22 0.00 1.70 -0.27 -4.76 118.95 113.32 1n02 s ARG 9 Ca 0.07 -1.91 -0.17 0.00 -0.47 0.00 0.00 55.73 53.26 1n02 s ARG 9 Cb -0.04 -0.38 -0.00 0.00 -0.57 0.00 0.00 34.95 33.96 1n02 s ARG 9 CO 0.02 -0.36 0.68 0.27 -1.08 0.00 0.00 175.30 174.84 1n02 n ASN 10 N -0.79 -3.83 -4.72 -2.89 6.94 -1.26 -2.47 115.26 106.23 1n02 n ASN 10 Ca -0.01 -1.04 -0.41 0.00 -0.02 0.00 0.00 54.58 53.09 1n02 n ASN 10 Cb 0.66 -3.12 -0.04 0.00 -2.36 0.00 0.00 39.78 34.92 1n02 n ASN 10 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1n02 s THR 11 N -3.60 4.49 0.19 5.53 -4.23 -1.26 -4.41 115.64 112.35 1n02 s THR 11 Ca 0.35 1.99 -0.20 0.00 -1.18 0.00 0.00 61.69 62.65 1n02 s THR 11 Cb -0.13 -4.27 0.04 0.00 1.34 0.00 0.00 72.50 69.47 1n02 s THR 11 CO 0.88 0.27 0.58 0.00 -0.54 0.00 0.00 174.62 175.81 1n02 s GLN 12 N 0.24 1.41 -0.12 3.99 1.03 -1.00 -4.43 119.66 120.77 1n02 s GLN 12 Ca 0.49 -0.74 -0.11 0.00 0.04 0.00 0.00 55.36 55.04 1n02 s GLN 12 Cb -0.24 0.56 -0.05 0.00 0.03 0.00 0.00 33.01 33.31 1n02 s GLN 12 CO 0.30 -0.61 0.24 -1.17 -2.54 0.00 0.00 175.29 171.51 1n02 s LEU 13 N -2.83 4.33 0.05 2.60 2.96 -1.26 -1.34 118.68 123.18 1n02 s LEU 13 Ca 0.06 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.60 1n02 s LEU 13 Cb -0.02 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1n02 s LEU 13 CO -0.05 0.25 -0.25 0.00 -1.32 0.00 0.00 176.35 174.99 1n02 s ALA 14 N -0.32 2.35 0.00 5.97 0.00 0.39 -4.88 121.76 125.26 1n02 s ALA 14 Ca 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1n02 s ALA 14 Cb -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1n02 s ALA 14 CO 0.05 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1n02 n GLY 15 N 1.65 1.00 0.12 0.00 0.00 -1.26 -1.08 105.19 105.62 1n02 n GLY 15 Ca -0.17 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 1n02 n GLY 15 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n02 h SER 16 N 5.77 0.38 -0.23 1.61 0.02 -1.97 -3.41 113.55 115.71 1n02 h SER 16 Ca 0.00 -0.62 -0.21 0.00 -0.84 0.00 0.00 61.79 60.12 1n02 h SER 16 Cb 0.00 -0.13 -0.39 0.00 0.14 0.00 0.00 62.40 62.03 1n02 h SER 16 CO 0.00 1.53 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.63 1n02 n SER 17 N -3.43 1.22 -4.49 3.07 3.41 -1.25 -4.68 113.62 107.46 1n02 n SER 17 Ca -0.21 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.09 1n02 n SER 17 Cb 1.05 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.52 1n02 n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n02 s GLU 18 N -2.07 1.87 -0.12 4.33 8.01 -0.24 -0.46 118.70 130.02 1n02 s GLU 18 Ca 0.29 -1.12 0.02 0.00 0.01 0.00 0.00 54.97 54.16 1n02 s GLU 18 Cb 0.35 -2.15 0.01 0.00 -4.31 0.00 0.00 34.13 28.03 1n02 s GLU 18 CO -0.10 0.50 -0.17 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -1.99 1.82 0.02 1.80 2.96 -0.22 0.15 118.68 123.22 1n02 s LEU 19 Ca 0.17 -0.48 0.08 0.00 -0.22 0.00 0.00 54.13 53.68 1n02 s LEU 19 Cb -0.11 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 1n02 s LEU 19 CO 0.09 0.02 -0.23 0.00 -1.32 0.00 0.00 176.35 174.92 1n02 s ALA 20 N 1.01 2.38 0.28 5.97 0.00 -0.45 0.01 121.76 130.96 1n02 s ALA 20 Ca -0.05 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.52 1n02 s ALA 20 Cb -0.15 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.39 1n02 s ALA 20 CO -0.03 0.55 0.79 0.00 0.00 0.00 0.00 175.76 177.07 1n02 s ALA 21 N -0.79 -1.18 -0.10 0.00 0.00 0.80 -2.38 121.76 118.10 1n02 s ALA 21 Ca 0.12 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.73 1n02 s ALA 21 Cb -0.10 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n02 s ALA 21 CO 0.02 -1.03 -0.12 -1.21 0.00 0.00 0.00 175.76 173.42 1n02 s GLU 22 N -3.34 3.11 -0.03 0.00 2.02 -1.03 0.68 118.70 120.11 1n02 s GLU 22 Ca 0.13 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.48 1n02 s GLU 22 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.61 1n02 s GLU 22 CO 0.07 0.36 -0.10 0.00 0.02 0.00 0.00 175.26 175.61 1n02 s LYS 24 N 0.26 4.34 0.78 0.00 -2.85 -1.09 -2.46 119.74 118.71 1n02 s LYS 24 Ca -0.05 2.19 -0.08 0.00 -1.00 0.00 0.00 55.97 57.04 1n02 s LYS 24 Cb -0.10 -3.12 0.17 0.00 -2.06 0.00 0.00 37.83 32.71 1n02 s LYS 24 CO 0.01 -0.28 1.06 0.25 0.10 0.00 0.00 175.35 176.49 1n02 n THR 25 N 1.92 0.00 0.26 3.79 -2.24 0.31 -3.91 114.28 114.41 1n02 n THR 25 Ca 0.04 -1.17 0.09 0.00 -2.27 0.00 0.00 64.05 60.74 1n02 n THR 25 Cb 0.42 -1.24 0.67 0.00 -2.10 0.00 0.00 70.33 68.08 1n02 n THR 25 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1n02 h ARG 26 N 0.00 0.00 -0.06 -0.78 3.08 -1.88 -1.10 114.38 113.65 1n02 h ARG 26 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1n02 h ARG 26 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1n02 h ARG 26 CO 0.30 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 1n02 n ALA 27 N -2.50 2.52 -3.05 0.04 0.00 -1.26 -4.87 120.51 111.39 1n02 n ALA 27 Ca -0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1n02 n ALA 27 Cb 0.10 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1n02 n ALA 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1n02 n GLN 28 N -0.38 -4.55 -5.26 0.00 6.02 -0.42 -5.02 117.38 107.77 1n02 n GLN 28 Ca 0.05 0.58 -0.31 0.00 -0.01 0.00 0.00 57.00 57.30 1n02 n GLN 28 Cb 0.07 -4.80 -0.16 0.00 1.02 0.00 0.00 30.24 26.37 1n02 n GLN 28 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1n02 s GLN 29 N -5.66 2.54 -0.20 -1.09 -0.21 -1.25 -4.87 119.66 108.92 1n02 s GLN 29 Ca 0.32 -0.90 -0.17 0.00 0.02 0.00 0.00 55.36 54.63 1n02 s GLN 29 Cb -0.14 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.67 1n02 s GLN 29 CO 0.40 0.39 0.47 -0.06 -2.12 0.00 0.00 175.29 174.37 1n02 s PHE 30 N -0.19 3.38 0.09 0.91 0.40 -1.26 0.12 117.98 121.42 1n02 s PHE 30 Ca -0.03 0.71 0.06 0.00 -0.60 0.00 0.00 56.93 57.08 1n02 s PHE 30 Cb -0.14 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.75 1n02 s PHE 30 CO 0.03 -0.06 -0.16 0.14 0.70 0.00 0.00 175.22 175.87 1n02 s VAL 31 N 1.48 1.35 0.16 -0.44 -7.23 -1.03 -4.92 120.40 109.77 1n02 s VAL 31 Ca 0.22 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 1n02 s VAL 31 Cb -0.15 -1.32 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 1n02 s VAL 31 CO 0.09 -0.22 1.28 -0.94 -0.31 0.00 0.00 175.10 175.01 1n02 s SER 32 N -1.95 6.96 0.09 4.85 1.04 -1.26 -1.27 113.70 122.15 1n02 s SER 32 Ca 0.03 2.29 -0.05 0.00 0.48 0.00 0.00 55.95 58.70 1n02 s SER 32 Cb -0.09 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 1n02 s SER 32 CO 0.03 -0.51 0.10 0.28 0.98 0.00 0.00 173.24 174.12 1n02 s THR 33 N 0.41 0.16 0.04 2.02 -1.32 0.21 -4.92 115.64 112.25 1n02 s THR 33 Ca 0.58 -1.55 -0.05 0.00 -1.21 0.00 0.00 61.69 59.45 1n02 s THR 33 Cb -0.35 -1.57 -0.01 0.00 -1.51 0.00 0.00 72.50 69.06 1n02 s THR 33 CO 0.35 -0.71 0.10 -0.75 -2.21 0.00 0.00 174.62 171.39 1n02 s LYS 34 N -3.92 0.60 -0.05 7.08 2.20 -1.26 -0.14 119.74 124.24 1n02 s LYS 34 Ca 0.10 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1n02 s LYS 34 Cb 0.06 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1n02 s LYS 34 CO -0.07 -0.15 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.24 1n02 s ILE 35 N -2.72 0.41 -0.31 5.43 1.10 0.10 -4.48 121.20 120.73 1n02 s ILE 35 Ca -0.04 0.00 -0.23 0.00 -0.51 0.00 0.00 60.65 59.87 1n02 s ILE 35 Cb -0.01 -0.49 -0.00 0.00 0.15 0.00 0.00 42.46 42.11 1n02 s ILE 35 CO -0.05 0.22 0.76 0.21 -2.11 0.00 0.00 174.94 173.97 1n02 s ASN 36 N 1.30 6.64 0.14 4.50 3.84 -1.26 -1.05 114.94 129.04 1n02 s ASN 36 Ca -0.05 0.63 0.24 0.00 0.21 0.00 0.00 52.86 53.89 1n02 s ASN 36 Cb -0.13 -2.39 0.34 0.00 -0.55 0.00 0.00 41.25 38.51 1n02 s ASN 36 CO -0.02 -0.59 1.33 -0.07 -2.79 0.00 0.00 177.10 174.96 1n02 h LEU 37 N 9.40 0.00 -0.69 3.21 4.07 -1.11 -3.32 115.31 126.87 1n02 h LEU 37 Ca -0.25 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 57.58 1n02 h LEU 37 Cb 1.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1n02 h LEU 37 CO 0.87 0.09 0.42 -2.24 -1.08 0.00 0.00 178.44 176.50 1n02 h ASP 38 N 0.00 0.68 0.40 -0.43 2.03 -1.38 1.29 116.42 119.02 1n02 h ASP 38 Ca 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1n02 h ASP 38 Cb 0.78 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1n02 h ASP 38 CO 0.00 0.46 -0.60 0.47 -1.03 0.00 0.00 179.24 178.54 1n02 n ASP 39 N -4.70 0.60 -0.06 4.15 8.00 -1.26 -1.16 116.55 122.12 1n02 n ASP 39 Ca 0.08 -0.39 -0.05 0.00 0.71 0.00 0.00 54.79 55.13 1n02 n ASP 39 Cb 0.10 0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1n02 n HIS 40 N -1.51 0.22 -2.85 1.24 8.25 -0.87 -3.71 115.22 115.98 1n02 n HIS 40 Ca 0.05 0.09 -0.33 0.00 -0.26 0.00 0.00 57.72 57.27 1n02 n HIS 40 Cb 0.34 -0.44 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 1n02 n HIS 40 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1n02 s ILE 41 N -2.17 4.42 0.23 1.59 -1.09 0.44 -0.59 121.20 124.02 1n02 s ILE 41 Ca -0.17 1.44 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 1n02 s ILE 41 Cb 0.02 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1n02 s ILE 41 CO 0.25 -0.30 0.16 0.00 -1.23 0.00 0.00 174.94 173.83 1n02 s ALA 42 N -2.15 1.32 -0.34 9.38 0.00 0.34 -3.71 121.76 126.62 1n02 s ALA 42 Ca 0.61 -1.78 -0.04 0.00 0.00 0.00 0.00 51.96 50.75 1n02 s ALA 42 Cb -0.09 1.41 0.06 0.00 0.00 0.00 0.00 23.12 24.50 1n02 s ALA 42 CO 0.14 -0.61 0.08 1.21 0.00 0.00 0.00 175.76 176.58 1n02 s ASN 43 N -3.21 5.11 -0.65 0.00 2.47 -1.26 -1.83 114.94 115.57 1n02 s ASN 43 Ca 0.39 -1.40 -0.05 0.00 0.42 0.00 0.00 52.86 52.23 1n02 s ASN 43 Cb 0.06 -1.79 0.17 0.00 -1.45 0.00 0.00 41.25 38.24 1n02 s ASN 43 CO 0.15 -0.34 0.49 -0.63 -3.72 0.00 0.00 177.10 173.05 1n02 s ILE 44 N 1.28 4.09 -0.95 -5.21 -1.09 0.25 -4.63 121.20 114.94 1n02 s ILE 44 Ca -0.01 -2.79 -0.06 0.00 -2.23 0.00 0.00 60.65 55.56 1n02 s ILE 44 Cb -0.20 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1n02 s ILE 44 CO -0.01 -0.90 0.78 -0.67 -1.23 0.00 0.00 174.94 172.92 1n02 n ASP 45 N 3.67 -5.01 0.00 3.58 2.03 -1.26 -2.23 116.55 117.33 1n02 n ASP 45 Ca 0.08 -0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1n02 n ASP 45 Cb 0.40 -3.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.18 1n02 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 46 N -1.52 0.91 3.61 0.27 0.00 -1.13 -4.38 105.19 102.95 1n02 n GLY 46 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1n02 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n02 s THR 47 N -3.64 4.02 -0.30 2.61 2.01 -0.95 -4.51 115.64 114.88 1n02 s THR 47 Ca 0.00 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 1n02 s THR 47 Cb 0.00 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1n02 s THR 47 CO 0.00 0.58 1.22 -0.76 -0.69 0.00 0.00 174.62 174.97 1n02 s LEU 48 N -0.58 3.92 0.12 4.42 1.43 -1.26 -0.58 118.68 126.14 1n02 s LEU 48 Ca 0.09 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 1n02 s LEU 48 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1n02 s LEU 48 CO 0.02 -0.99 -0.00 -0.54 0.23 0.00 0.00 176.35 175.07 1n02 s LYS 49 N 3.95 0.89 -0.20 1.70 1.02 -0.76 -4.88 119.74 121.45 1n02 s LYS 49 Ca 0.52 -1.40 -0.23 0.00 0.02 0.00 0.00 55.97 54.89 1n02 s LYS 49 Cb -0.15 0.00 -0.02 0.00 -0.52 0.00 0.00 37.83 37.14 1n02 s LYS 49 CO 0.20 -0.14 0.74 -1.58 -0.92 0.00 0.00 175.35 173.65 1n02 s TRP 50 N -3.83 3.37 -0.21 3.18 0.51 -1.26 0.13 118.94 120.83 1n02 s TRP 50 Ca 0.18 1.07 -0.30 0.00 -2.12 0.00 0.00 56.10 54.94 1n02 s TRP 50 Cb 0.07 -2.93 0.15 0.00 -0.81 0.00 0.00 33.47 29.94 1n02 s TRP 50 CO -0.02 -0.26 1.12 -0.65 -0.51 0.00 0.00 176.95 176.63 1n02 s GLN 51 N 2.26 0.41 -0.90 4.98 -0.21 0.24 -4.84 119.66 121.60 1n02 s GLN 51 Ca 0.33 0.12 -0.13 0.00 0.02 0.00 0.00 55.36 55.69 1n02 s GLN 51 Cb -0.16 0.19 -0.09 0.00 1.00 0.00 0.00 33.01 33.95 1n02 s GLN 51 CO 0.10 -0.13 2.06 -0.35 -2.12 0.00 0.00 175.29 174.85 1n02 n PRO 52 N 0.72 1.92 -3.66 2.91 -0.04 -1.24 -3.87 135.00 131.74 1n02 n PRO 52 Ca -0.07 -1.71 -0.10 0.00 -0.04 0.00 0.00 63.50 61.58 1n02 n PRO 52 Cb 0.58 -2.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.26 1n02 n PRO 52 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n02 s SER 53 N 4.05 -0.76 -0.47 3.54 1.04 -1.25 -4.98 113.70 114.86 1n02 s SER 53 Ca 0.48 1.32 -0.28 0.00 0.48 0.00 0.00 55.95 57.95 1n02 s SER 53 Cb 0.12 1.25 0.03 0.00 0.10 0.00 0.00 66.02 67.52 1n02 s SER 53 CO 0.03 -0.22 1.09 0.20 0.98 0.00 0.00 173.24 175.32 1n02 s ASN 54 N 1.07 6.61 0.53 7.02 0.01 -0.31 -3.19 114.94 126.68 1n02 s ASN 54 Ca -0.06 0.40 0.34 0.00 -0.71 0.00 0.00 52.86 52.83 1n02 s ASN 54 Cb -0.05 -2.53 1.51 0.00 0.41 0.00 0.00 41.25 40.58 1n02 s ASN 54 CO -0.10 -1.21 1.84 2.19 -1.51 0.00 0.00 177.10 178.30 1n02 h PHE 55 N 9.19 0.03 0.00 2.20 -0.00 -1.78 -1.03 116.94 125.55 1n02 h PHE 55 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.74 1n02 h PHE 55 Cb 1.06 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 1n02 h PHE 55 CO 0.95 0.00 0.48 0.66 -0.00 0.00 0.00 178.31 180.41 1n02 h SER 56 N 0.02 0.00 0.13 -0.68 4.64 -1.88 -0.13 113.55 115.65 1n02 h SER 56 Ca 0.51 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 1n02 h SER 56 Cb 2.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1n02 h SER 56 CO -0.02 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.41 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.60 -3.16 115.11 119.32 1n02 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n02 h GLN 57 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 1n02 h GLN 57 CO 0.00 0.09 0.00 0.25 -0.67 0.00 0.00 178.83 178.50 1n02 n THR 58 N -4.15 0.00 -4.15 -0.54 -2.24 -0.14 -5.07 114.28 97.99 1n02 n THR 58 Ca -0.03 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1n02 n THR 58 Cb 0.17 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 1n02 n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n02 s TYR 60 N -1.29 0.37 -0.98 0.00 1.13 0.64 -4.61 117.35 112.61 1n02 s TYR 60 Ca 0.25 -0.81 -0.02 0.00 -1.41 0.00 0.00 57.07 55.08 1n02 s TYR 60 Cb -0.12 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1n02 s TYR 60 CO 0.17 -0.36 0.83 0.09 -2.51 0.00 0.00 175.55 173.77 1n02 n ASN 61 N 0.48 -2.84 -4.74 -0.18 3.02 -1.26 -2.77 115.26 106.97 1n02 n ASN 61 Ca -0.17 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.49 1n02 n ASN 61 Cb 0.60 -4.16 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1n02 s SER 62 N -3.89 6.93 0.02 6.41 0.01 -1.26 -4.25 113.70 117.68 1n02 s SER 62 Ca 0.11 2.40 -0.04 0.00 1.31 0.00 0.00 55.95 59.73 1n02 s SER 62 Cb -0.05 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1n02 s SER 62 CO 0.58 -0.48 0.05 0.00 0.41 0.00 0.00 173.24 173.80 1n02 s ALA 63 N -0.11 -0.01 -0.01 1.44 0.00 0.35 -4.94 121.76 118.48 1n02 s ALA 63 Ca 0.55 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1n02 s ALA 63 Cb -0.36 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n02 s ALA 63 CO 0.40 -0.24 -0.12 0.42 0.00 0.00 0.00 175.76 176.22 1n02 s ILE 64 N -2.00 0.93 -0.19 0.00 1.01 -1.26 0.12 121.20 119.80 1n02 s ILE 64 Ca -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 59.98 1n02 s ILE 64 Cb -0.05 -0.78 0.06 0.00 0.01 0.00 0.00 42.46 41.70 1n02 s ILE 64 CO -0.02 0.25 0.05 -1.10 0.00 0.00 0.00 174.94 174.12 1n02 s GLN 65 N -0.32 0.47 7.96 2.79 -0.21 -0.51 -4.56 119.66 125.27 1n02 s GLN 65 Ca 0.04 -0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.09 1n02 s GLN 65 Cb -0.05 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1n02 s GLN 65 CO -0.00 -0.66 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 1n02 n GLY 66 N 5.12 3.67 0.57 3.09 0.00 -1.26 -2.03 105.19 114.35 1n02 n GLY 66 Ca -0.08 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.00 1n02 n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n02 n SER 67 N 9.04 2.15 -4.78 1.61 3.41 -1.26 -4.74 113.62 119.04 1n02 n SER 67 Ca 0.00 -1.57 -0.36 0.00 -0.26 0.00 0.00 58.87 56.68 1n02 n SER 67 Cb 0.00 0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 1n02 n SER 67 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1n02 s VAL 68 N -2.10 5.15 -0.23 -3.33 1.01 -0.86 -2.03 120.40 118.02 1n02 s VAL 68 Ca 0.19 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 1n02 s VAL 68 Cb 0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1n02 s VAL 68 CO 0.43 0.57 0.12 -0.22 0.00 0.00 0.00 175.10 176.00 1n02 s LEU 69 N -0.58 3.94 -0.15 3.92 2.96 -0.64 -1.43 118.68 126.70 1n02 s LEU 69 Ca 0.12 0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1n02 s LEU 69 Cb -0.12 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1n02 s LEU 69 CO 0.02 0.08 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.10 1n02 s THR 70 N 0.97 2.81 0.03 3.68 2.01 0.31 -2.83 115.64 122.62 1n02 s THR 70 Ca 0.06 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1n02 s THR 70 Cb -0.13 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.21 1n02 s THR 70 CO 0.03 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.30 1n02 s SER 71 N 0.73 -0.23 -0.20 3.53 0.15 -1.19 0.13 113.70 116.62 1n02 s SER 71 Ca -0.06 -0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1n02 s SER 71 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO 0.01 -0.60 0.35 -0.89 1.20 0.00 0.00 173.24 173.31 1n02 s THR 72 N -2.19 5.24 0.04 6.45 2.01 -1.11 -1.68 115.64 124.39 1n02 s THR 72 Ca -0.07 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.60 1n02 s THR 72 Cb -0.02 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1n02 s THR 72 CO -0.01 0.29 -0.19 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.08 4.59 0.07 0.00 2.12 -0.37 0.67 118.70 124.71 1n02 s GLU 74 Ca 0.06 1.80 -0.14 0.00 0.36 0.00 0.00 54.97 57.04 1n02 s GLU 74 Cb -0.08 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 1n02 s GLU 74 CO 0.01 0.10 0.47 1.03 -0.54 0.00 0.00 175.26 176.34 1n02 s ARG 75 N -0.86 3.95 0.57 4.30 0.52 -0.89 -2.86 118.95 123.70 1n02 s ARG 75 Ca 0.48 0.44 0.29 0.00 -0.52 0.00 0.00 55.73 56.42 1n02 s ARG 75 Cb -0.31 -3.10 1.47 0.00 0.52 0.00 0.00 34.95 33.53 1n02 s ARG 75 CO 0.38 0.60 1.90 1.15 0.02 0.00 0.00 175.30 179.35 1n02 h THR 76 N 3.26 0.43 -0.03 0.02 2.02 -1.92 0.83 112.91 117.52 1n02 h THR 76 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1n02 h THR 76 Cb 1.21 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1n02 h THR 76 CO 0.64 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.33 1n02 n ASN 77 N -3.87 0.49 0.00 4.18 2.85 -1.26 -4.99 115.26 112.66 1n02 n ASN 77 Ca 0.10 -1.32 0.00 0.00 -0.11 0.00 0.00 54.58 53.25 1n02 n ASN 77 Cb 0.72 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.73 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1n02 n GLY 78 N 0.98 -0.02 0.00 8.20 0.00 0.29 -5.12 105.19 109.52 1n02 n GLY 78 Ca 0.19 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1n02 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n02 n GLY 79 N 1.35 -0.16 3.08 -0.02 0.00 -1.26 -4.68 105.19 103.51 1n02 n GLY 79 Ca 0.00 -2.26 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 1n02 n GLY 79 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n02 s TYR 80 N -0.11 0.97 -0.20 1.61 2.02 -1.26 -2.09 117.35 118.29 1n02 s TYR 80 Ca 0.00 -0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 1n02 s TYR 80 Cb 0.00 -0.59 0.06 0.00 -0.40 0.00 0.00 41.96 41.03 1n02 s TYR 80 CO 0.00 -0.00 0.51 1.21 -1.57 0.00 0.00 175.55 175.70 1n02 s ASN 81 N -0.85 -0.64 -0.09 2.29 2.47 0.21 -4.90 114.94 113.44 1n02 s ASN 81 Ca 0.00 1.09 -0.15 0.00 0.42 0.00 0.00 52.86 54.23 1n02 s ASN 81 Cb -0.06 1.00 -0.05 0.00 -1.45 0.00 0.00 41.25 40.69 1n02 s ASN 81 CO 0.00 -0.20 0.36 0.28 -3.72 0.00 0.00 177.10 173.83 1n02 s THR 82 N 1.21 5.19 0.25 -5.21 -1.32 -1.26 0.68 115.64 115.17 1n02 s THR 82 Ca -0.07 0.72 0.11 0.00 -1.21 0.00 0.00 61.69 61.24 1n02 s THR 82 Cb -0.06 -3.68 -0.05 0.00 -1.51 0.00 0.00 72.50 67.19 1n02 s THR 82 CO -0.12 0.46 -0.21 -0.94 -2.21 0.00 0.00 174.62 171.61 1n02 s SER 83 N -0.18 3.45 0.04 8.08 1.04 -0.68 -4.93 113.70 120.53 1n02 s SER 83 Ca 0.21 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.74 1n02 s SER 83 Cb -0.15 -0.27 -0.03 0.00 0.10 0.00 0.00 66.02 65.67 1n02 s SER 83 CO 0.09 0.05 -0.24 -0.44 0.98 0.00 0.00 173.24 173.67 1n02 s SER 84 N -3.24 2.85 -0.04 7.02 0.01 -1.26 -3.14 113.70 115.90 1n02 s SER 84 Ca 0.27 -0.55 -0.06 0.00 1.31 0.00 0.00 55.95 56.91 1n02 s SER 84 Cb -0.06 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1n02 s SER 84 CO 0.13 0.22 0.15 -0.51 0.41 0.00 0.00 173.24 173.64 1n02 s ILE 85 N -0.79 0.03 -0.30 1.44 2.07 -1.13 -4.91 121.20 117.61 1n02 s ILE 85 Ca 0.10 -0.27 -0.13 0.00 -1.41 0.00 0.00 60.65 58.93 1n02 s ILE 85 Cb -0.09 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 1n02 s ILE 85 CO 0.02 -0.15 0.29 -0.62 -1.91 0.00 0.00 174.94 172.57 1n02 s ASP 86 N -0.48 6.13 0.00 4.50 2.15 -1.26 -1.62 116.67 126.09 1n02 s ASP 86 Ca -0.06 -0.02 0.22 0.00 0.43 0.00 0.00 52.55 53.12 1n02 s ASP 86 Cb -0.04 -2.17 -0.06 0.00 -0.30 0.00 0.00 42.92 40.35 1n02 s ASP 86 CO 0.01 -0.18 1.03 0.18 -0.17 0.00 0.00 175.17 176.03 1n02 n LEU 87 N 5.23 1.77 -0.35 -1.34 4.77 -0.86 -4.51 117.00 121.70 1n02 n LEU 87 Ca -0.11 -0.70 0.37 0.00 -0.03 0.00 0.00 56.01 55.54 1n02 n LEU 87 Cb 0.51 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.30 1n02 n LEU 87 CO 0.36 0.34 1.34 -1.13 -1.33 0.00 0.00 177.39 176.98 1n02 h ASN 88 N 1.83 0.00 0.26 -1.43 -0.00 -1.88 0.27 115.58 114.63 1n02 h ASN 88 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.96 1n02 h ASN 88 Cb 0.69 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.03 1n02 h ASN 88 CO 0.00 0.00 -1.58 0.28 -0.00 0.00 0.00 177.43 176.13 1n02 h SER 89 N 0.00 0.73 0.10 1.15 0.02 -1.93 0.29 113.55 113.91 1n02 h SER 89 Ca 0.60 -0.89 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1n02 h SER 89 Cb 2.69 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 65.00 1n02 h SER 89 CO -0.01 1.72 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.98 1n02 h VAL 90 N 0.13 1.10 -3.89 2.27 -1.51 -0.75 -3.04 116.25 110.55 1n02 h VAL 90 Ca -0.28 -1.23 -0.47 0.00 -1.23 0.00 0.00 66.70 63.49 1n02 h VAL 90 Cb 2.13 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 33.10 1n02 h VAL 90 CO 0.23 0.28 0.28 -0.63 -1.23 0.00 0.00 177.57 176.50 1n02 s ILE 91 N -3.62 4.39 0.16 7.19 1.09 -0.83 -0.64 121.20 128.94 1n02 s ILE 91 Ca -0.14 1.51 0.00 0.00 -1.10 0.00 0.00 60.65 60.92 1n02 s ILE 91 Cb 0.01 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1n02 s ILE 91 CO 0.56 -0.07 0.04 -0.70 -0.10 0.00 0.00 174.94 174.67 1n02 s GLU 92 N -2.60 1.05 -0.46 2.79 2.12 0.49 -3.48 118.70 118.61 1n02 s GLU 92 Ca 0.54 -1.51 -0.08 0.00 0.36 0.00 0.00 54.97 54.28 1n02 s GLU 92 Cb -0.14 0.01 0.12 0.00 0.26 0.00 0.00 34.13 34.39 1n02 s GLU 92 CO 0.18 -0.22 0.33 1.21 -0.54 0.00 0.00 175.26 176.22 1n02 s ASN 93 N -3.12 5.65 -0.60 -1.70 2.47 -1.25 -0.07 114.94 116.30 1n02 s ASN 93 Ca 0.26 -1.92 -0.17 0.00 0.42 0.00 0.00 52.86 51.46 1n02 s ASN 93 Cb 0.07 -1.99 0.13 0.00 -1.45 0.00 0.00 41.25 38.02 1n02 s ASN 93 CO 0.04 -0.67 0.61 -0.69 -3.72 0.00 0.00 177.10 172.66 1n02 s VAL 94 N 1.33 5.15 -1.34 -5.21 1.01 0.12 -4.47 120.40 117.00 1n02 s VAL 94 Ca 0.06 -1.50 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 1n02 s VAL 94 Cb -0.26 -4.41 0.02 0.00 0.00 0.00 0.00 36.38 31.73 1n02 s VAL 94 CO -0.01 -0.98 0.26 -0.67 0.00 0.00 0.00 175.10 173.70 1n02 n ASP 95 N 5.40 -4.66 0.00 3.32 2.03 -1.26 -1.85 116.55 119.53 1n02 n ASP 95 Ca -0.08 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1n02 n ASP 95 Cb 0.42 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.95 1n02 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 96 N -1.09 1.37 2.86 0.27 0.00 -1.25 -4.63 105.19 102.71 1n02 n GLY 96 Ca -0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1n02 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n02 s SER 97 N -2.33 0.00 -0.18 1.61 0.01 -0.77 -4.59 113.70 107.46 1n02 s SER 97 Ca 0.00 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.01 1n02 s SER 97 Cb 0.00 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 1n02 s SER 97 CO 0.00 -0.04 1.32 -0.76 0.41 0.00 0.00 173.24 174.17 1n02 s LEU 98 N 0.29 4.14 0.04 2.44 1.43 -1.24 0.16 118.68 125.94 1n02 s LEU 98 Ca -0.02 1.66 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1n02 s LEU 98 Cb -0.03 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 1n02 s LEU 98 CO -0.01 -0.84 -0.18 -0.54 0.23 0.00 0.00 176.35 175.00 1n02 s LYS 99 N 3.70 1.22 0.01 1.70 1.02 0.89 -4.82 119.74 123.45 1n02 s LYS 99 Ca 0.57 -0.88 -0.17 0.00 0.02 0.00 0.00 55.97 55.51 1n02 s LYS 99 Cb -0.22 -1.30 -0.06 0.00 -0.52 0.00 0.00 37.83 35.73 1n02 s LYS 99 CO 0.18 0.33 0.48 0.71 -0.92 0.00 0.00 175.35 176.12 1n02 s TYR 100 N -0.83 3.73 0.00 3.18 1.51 -1.26 0.18 117.35 123.87 1n02 s TYR 100 Ca 0.05 1.08 0.00 0.00 -1.01 0.00 0.00 57.07 57.20 1n02 s TYR 100 Cb -0.08 -2.41 0.00 0.00 -0.11 0.00 0.00 41.96 39.36 1n02 s TYR 100 CO 0.02 0.55 0.00 0.39 -1.11 0.00 0.00 175.55 175.40