#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 s LEU 1 N 0.00 -0.75 0.00 0.99 2.96 -1.26 -5.06 118.68 115.56 1n02 s LEU 1 Ca 0.00 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 1n02 s LEU 1 Cb 0.00 1.87 0.00 0.00 0.50 0.00 0.00 46.19 48.56 1n02 s LEU 1 CO 0.00 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.49 1n02 n GLY 2 N 5.04 0.45 2.89 7.98 0.00 -1.24 -4.17 105.19 116.14 1n02 n GLY 2 Ca -0.11 0.61 -0.01 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -1.28 -0.02 1.61 4.01 0.23 -4.68 118.16 118.03 1n02 n LYS 3 Ca 0.00 1.46 -0.18 0.00 -0.51 0.00 0.00 58.31 59.08 1n02 n LYS 3 Cb 0.00 -5.35 -0.14 0.00 -0.51 0.00 0.00 35.03 29.03 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1n02 n PHE 4 N -1.57 0.98 0.40 2.13 -1.74 -1.18 -4.03 117.46 112.45 1n02 n PHE 4 Ca 0.01 0.24 0.06 0.00 -0.56 0.00 0.00 57.45 57.20 1n02 n PHE 4 Cb 0.49 -1.14 0.28 0.00 1.52 0.00 0.00 39.48 40.63 1n02 n PHE 4 CO 0.00 0.00 0.00 1.51 -0.56 0.00 0.00 176.76 177.71 1n02 n ILE 5 N -3.33 1.16 0.15 1.97 0.13 -1.26 -0.88 119.36 117.30 1n02 n ILE 5 Ca -0.31 0.30 0.03 0.00 -1.10 0.00 0.00 62.75 61.67 1n02 n ILE 5 Cb 1.05 -1.11 0.12 0.00 -0.84 0.00 0.00 39.64 38.86 1n02 n ILE 5 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1n02 h GLU 6 N 0.00 0.00 -0.00 9.51 4.39 -1.96 -3.30 114.58 123.22 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 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1n02 h GLU 6 CO 0.00 0.51 -0.02 0.25 -1.16 0.00 0.00 179.01 178.59 1n02 n THR 7 N -3.34 0.00 -4.18 1.13 -2.24 -0.81 -5.03 114.28 99.80 1n02 n THR 7 Ca 0.01 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 1n02 n THR 7 Cb 0.68 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.86 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 -2.67 1.61 -1.21 0.00 1.70 -0.31 -4.74 118.95 113.34 1n02 s ARG 9 Ca 0.26 -1.91 -0.15 0.00 -0.47 0.00 0.00 55.73 53.46 1n02 s ARG 9 Cb -0.10 -0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 33.88 1n02 s ARG 9 CO 0.18 -0.36 0.71 0.27 -1.08 0.00 0.00 175.30 175.02 1n02 n ASN 10 N -0.81 -3.93 -4.72 -2.89 6.94 -1.26 -2.52 115.26 106.07 1n02 n ASN 10 Ca -0.01 -0.99 -0.41 0.00 -0.02 0.00 0.00 54.58 53.14 1n02 n ASN 10 Cb 0.66 -3.41 -0.04 0.00 -2.36 0.00 0.00 39.78 34.63 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 -3.58 4.59 0.19 5.53 -4.23 -1.26 -4.40 115.64 112.46 1n02 s THR 11 Ca 0.33 2.02 -0.19 0.00 -1.18 0.00 0.00 61.69 62.67 1n02 s THR 11 Cb -0.12 -4.29 0.04 0.00 1.34 0.00 0.00 72.50 69.47 1n02 s THR 11 CO 0.86 0.25 0.55 0.00 -0.54 0.00 0.00 174.62 175.74 1n02 s GLN 12 N 0.41 1.36 -0.11 3.99 -2.07 -0.94 -4.40 119.66 117.89 1n02 s GLN 12 Ca 0.49 -0.74 -0.11 0.00 -1.82 0.00 0.00 55.36 53.18 1n02 s GLN 12 Cb -0.23 0.54 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1n02 s GLN 12 CO 0.29 -0.58 0.24 -1.17 -1.32 0.00 0.00 175.29 172.75 1n02 s LEU 13 N -2.83 4.35 0.06 2.60 2.96 -1.26 -0.99 118.68 123.56 1n02 s LEU 13 Ca 0.06 0.55 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 1n02 s LEU 13 Cb -0.01 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 1n02 s LEU 13 CO -0.06 0.28 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 1n02 s ALA 14 N -0.47 2.22 0.00 5.97 0.00 0.47 -4.87 121.76 125.08 1n02 s ALA 14 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1n02 s ALA 14 Cb -0.13 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1n02 s ALA 14 CO 0.05 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1n02 n GLY 15 N 1.60 0.99 0.12 0.00 0.00 -1.26 -1.06 105.19 105.57 1n02 n GLY 15 Ca -0.17 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 5.55 0.41 -0.25 1.61 0.02 -1.97 -3.41 113.55 115.50 1n02 h SER 16 Ca 0.00 -0.65 -0.21 0.00 -0.84 0.00 0.00 61.79 60.09 1n02 h SER 16 Cb 0.00 -0.13 -0.39 0.00 0.14 0.00 0.00 62.40 62.01 1n02 h SER 16 CO 0.00 1.55 -1.08 -1.54 -1.14 0.00 0.00 176.83 174.62 1n02 n SER 17 N -3.45 1.31 -4.46 3.07 3.41 -1.25 -4.71 113.62 107.54 1n02 n SER 17 Ca -0.21 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.09 1n02 n SER 17 Cb 1.05 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.24 1.88 -0.13 4.33 8.01 -0.23 0.05 118.70 130.38 1n02 s GLU 18 Ca 0.30 -1.10 0.02 0.00 0.01 0.00 0.00 54.97 54.20 1n02 s GLU 18 Cb 0.35 -2.12 0.01 0.00 -4.31 0.00 0.00 34.13 28.05 1n02 s GLU 18 CO -0.09 0.50 -0.20 -1.17 0.01 0.00 0.00 175.26 174.31 1n02 s LEU 19 N -1.79 1.98 0.01 1.80 2.96 0.07 0.18 118.68 123.89 1n02 s LEU 19 Ca 0.16 -0.54 0.07 0.00 -0.22 0.00 0.00 54.13 53.60 1n02 s LEU 19 Cb -0.10 -1.32 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 1n02 s LEU 19 CO 0.07 0.06 -0.22 0.00 -1.32 0.00 0.00 176.35 174.95 1n02 s ALA 20 N 0.83 2.39 0.28 5.97 0.00 -0.16 -0.07 121.76 131.00 1n02 s ALA 20 Ca -0.08 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1n02 s ALA 20 Cb -0.15 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.36 1n02 s ALA 20 CO -0.01 0.55 0.78 0.00 0.00 0.00 0.00 175.76 177.07 1n02 s ALA 21 N -0.77 -1.19 -0.09 0.00 0.00 0.54 -2.22 121.76 118.03 1n02 s ALA 21 Ca 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1n02 s ALA 21 Cb -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1n02 s ALA 21 CO 0.02 -1.03 -0.14 -1.21 0.00 0.00 0.00 175.76 173.40 1n02 s GLU 22 N -3.44 2.95 -0.04 0.00 2.02 -1.05 0.87 118.70 120.02 1n02 s GLU 22 Ca 0.12 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.44 1n02 s GLU 22 Cb -0.05 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.69 1n02 s GLU 22 CO 0.07 0.41 -0.11 0.00 0.02 0.00 0.00 175.26 175.66 1n02 s LYS 24 N 0.39 4.31 0.63 0.00 -2.85 -1.15 -2.70 119.74 118.38 1n02 s LYS 24 Ca -0.08 2.24 -0.08 0.00 -1.00 0.00 0.00 55.97 57.06 1n02 s LYS 24 Cb -0.12 -3.12 0.14 0.00 -2.06 0.00 0.00 37.83 32.68 1n02 s LYS 24 CO 0.02 -0.34 0.87 0.25 0.10 0.00 0.00 175.35 176.25 1n02 n THR 25 N 2.03 0.00 0.24 3.79 -2.24 0.32 -4.04 114.28 114.37 1n02 n THR 25 Ca 0.05 -0.85 0.07 0.00 -2.27 0.00 0.00 64.05 61.04 1n02 n THR 25 Cb 0.41 -1.43 0.56 0.00 -2.10 0.00 0.00 70.33 67.78 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 2.47 -1.88 -1.76 114.38 112.37 1n02 h ARG 26 Ca -0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1n02 h ARG 26 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1n02 h ARG 26 CO 0.23 0.11 0.00 0.00 0.56 0.00 0.00 179.97 180.87 1n02 n ALA 27 N -2.51 2.49 -2.97 0.04 0.00 -1.26 -4.86 120.51 111.45 1n02 n ALA 27 Ca -0.03 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1n02 n ALA 27 Cb 0.19 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.32 -4.16 -5.18 0.00 6.02 -0.66 -5.02 117.38 108.05 1n02 n GLN 28 Ca 0.03 0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 57.28 1n02 n GLN 28 Cb 0.06 -4.80 -0.16 0.00 1.02 0.00 0.00 30.24 26.36 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 -5.55 2.44 -0.19 -1.09 -0.21 -1.26 -4.87 119.66 108.94 1n02 s GLN 29 Ca 0.28 -0.86 -0.16 0.00 0.02 0.00 0.00 55.36 54.64 1n02 s GLN 29 Cb -0.13 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 1n02 s GLN 29 CO 0.35 0.48 0.40 -0.06 -2.12 0.00 0.00 175.29 174.34 1n02 s PHE 30 N -0.39 3.40 0.09 0.91 0.40 -1.26 0.12 117.98 121.25 1n02 s PHE 30 Ca 0.03 0.65 0.05 0.00 -0.60 0.00 0.00 56.93 57.06 1n02 s PHE 30 Cb -0.12 -2.51 -0.03 0.00 0.51 0.00 0.00 43.02 40.87 1n02 s PHE 30 CO 0.02 0.04 -0.13 0.14 0.70 0.00 0.00 175.22 175.99 1n02 s VAL 31 N 1.12 1.12 0.16 -0.44 -7.23 -1.10 -4.93 120.40 109.10 1n02 s VAL 31 Ca 0.20 -1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 58.54 1n02 s VAL 31 Cb -0.15 -1.29 -0.08 0.00 0.56 0.00 0.00 36.38 35.43 1n02 s VAL 31 CO 0.08 -0.38 1.19 -0.44 -0.31 0.00 0.00 175.10 175.24 1n02 s SER 32 N -2.17 7.10 0.10 4.85 0.01 -1.26 -0.96 113.70 121.37 1n02 s SER 32 Ca 0.03 2.18 -0.06 0.00 1.31 0.00 0.00 55.95 59.42 1n02 s SER 32 Cb -0.06 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1n02 s SER 32 CO 0.02 -0.38 0.14 0.28 0.41 0.00 0.00 173.24 173.70 1n02 s THR 33 N 0.15 0.14 0.04 1.44 -1.32 0.25 -4.91 115.64 111.45 1n02 s THR 33 Ca 0.54 -1.45 -0.02 0.00 -1.21 0.00 0.00 61.69 59.54 1n02 s THR 33 Cb -0.32 -1.55 -0.03 0.00 -1.51 0.00 0.00 72.50 69.10 1n02 s THR 33 CO 0.35 -0.66 0.02 -0.75 -2.21 0.00 0.00 174.62 171.37 1n02 s LYS 34 N -3.91 0.56 -0.05 7.08 2.20 -1.26 -0.34 119.74 124.02 1n02 s LYS 34 Ca 0.10 -0.97 -0.01 0.00 -0.36 0.00 0.00 55.97 54.73 1n02 s LYS 34 Cb 0.06 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.61 1n02 s LYS 34 CO -0.07 -0.12 0.01 -1.50 -0.36 0.00 0.00 175.35 173.30 1n02 s ILE 35 N -3.13 0.25 -0.27 5.43 1.10 0.90 -4.41 121.20 121.07 1n02 s ILE 35 Ca -0.00 0.14 -0.23 0.00 -0.51 0.00 0.00 60.65 60.05 1n02 s ILE 35 Cb 0.02 -0.39 -0.01 0.00 0.15 0.00 0.00 42.46 42.23 1n02 s ILE 35 CO -0.07 0.21 0.76 0.21 -2.11 0.00 0.00 174.94 173.94 1n02 s ASN 36 N 1.63 6.70 0.14 4.50 3.84 -1.26 -0.75 114.94 129.73 1n02 s ASN 36 Ca -0.01 0.79 0.24 0.00 0.21 0.00 0.00 52.86 54.10 1n02 s ASN 36 Cb -0.13 -2.40 0.42 0.00 -0.55 0.00 0.00 41.25 38.59 1n02 s ASN 36 CO -0.03 -0.52 1.40 0.18 -2.79 0.00 0.00 177.10 175.33 1n02 n LEU 37 N 6.02 0.73 -0.24 3.21 4.32 0.11 -3.90 117.00 127.26 1n02 n LEU 37 Ca 0.03 0.29 -0.02 0.00 -0.02 0.00 0.00 56.01 56.29 1n02 n LEU 37 Cb 0.48 -0.20 0.09 0.00 -1.62 0.00 0.00 43.42 42.17 1n02 n LEU 37 CO 0.48 -0.08 1.11 -2.24 -1.22 0.00 0.00 177.39 175.43 1n02 h ASP 38 N 0.00 0.61 0.41 -1.43 2.03 -1.41 1.30 116.42 117.93 1n02 h ASP 38 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1n02 h ASP 38 Cb 0.75 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1n02 h ASP 38 CO 0.00 0.40 -0.59 -0.90 -1.03 0.00 0.00 179.24 177.12 1n02 n ASP 39 N -4.75 0.59 -0.05 4.15 5.68 -1.26 -1.45 116.55 119.46 1n02 n ASP 39 Ca 0.08 -0.38 -0.05 0.00 -0.50 0.00 0.00 54.79 53.94 1n02 n ASP 39 Cb 0.15 0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 40.50 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1n02 n HIS 40 N -1.51 0.01 -2.73 2.11 8.25 -0.86 -3.66 115.22 116.83 1n02 n HIS 40 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.16 1n02 n HIS 40 Cb 0.34 -0.29 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.10 4.14 0.23 1.59 -1.09 0.44 -0.15 121.20 124.25 1n02 s ILE 41 Ca -0.17 1.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.82 1n02 s ILE 41 Cb 0.02 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1n02 s ILE 41 CO 0.25 -0.07 0.16 0.00 -1.23 0.00 0.00 174.94 174.05 1n02 s ALA 42 N -1.84 1.37 -0.33 9.38 0.00 0.28 -3.70 121.76 126.92 1n02 s ALA 42 Ca 0.57 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 1n02 s ALA 42 Cb -0.16 1.38 0.06 0.00 0.00 0.00 0.00 23.12 24.40 1n02 s ALA 42 CO 0.21 -0.59 0.07 1.21 0.00 0.00 0.00 175.76 176.65 1n02 s ASN 43 N -3.22 5.09 -0.70 0.00 2.47 -1.26 -1.56 114.94 115.76 1n02 s ASN 43 Ca 0.39 -1.36 -0.06 0.00 0.42 0.00 0.00 52.86 52.26 1n02 s ASN 43 Cb 0.06 -1.78 0.18 0.00 -1.45 0.00 0.00 41.25 38.26 1n02 s ASN 43 CO 0.15 -0.33 0.55 -0.63 -3.72 0.00 0.00 177.10 173.12 1n02 s ILE 44 N 1.28 4.25 -0.81 -5.21 -1.09 0.61 -4.63 121.20 115.60 1n02 s ILE 44 Ca -0.02 -2.91 -0.05 0.00 -2.23 0.00 0.00 60.65 55.44 1n02 s ILE 44 Cb -0.20 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1n02 s ILE 44 CO -0.00 -0.93 0.66 -0.67 -1.23 0.00 0.00 174.94 172.77 1n02 n ASP 45 N 3.51 -4.55 0.00 3.58 -0.08 -1.26 -2.55 116.55 115.20 1n02 n ASP 45 Ca 0.10 -0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1n02 n ASP 45 Cb 0.40 -3.15 0.00 0.00 2.34 0.00 0.00 41.12 40.71 1n02 n ASP 45 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1n02 n GLY 46 N -1.37 0.92 3.54 0.27 0.00 -1.07 -4.32 105.19 103.16 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 3.66 -0.27 2.61 2.01 -1.06 -4.48 115.64 114.46 1n02 s THR 47 Ca 0.00 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1n02 s THR 47 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.99 1n02 s THR 47 CO 0.00 0.57 1.21 -0.76 -0.69 0.00 0.00 174.62 174.95 1n02 s LEU 48 N -0.48 3.97 0.13 4.42 1.43 -1.26 -0.29 118.68 126.60 1n02 s LEU 48 Ca 0.07 1.27 0.02 0.00 -1.03 0.00 0.00 54.13 54.46 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 -0.93 -0.03 -0.54 0.23 0.00 0.00 176.35 175.10 1n02 s LYS 49 N 3.82 0.96 -0.22 1.70 1.02 -0.60 -4.89 119.74 121.53 1n02 s LYS 49 Ca 0.52 -1.43 -0.23 0.00 0.02 0.00 0.00 55.97 54.85 1n02 s LYS 49 Cb -0.16 -0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1n02 s LYS 49 CO 0.18 -0.07 0.77 -1.58 -0.92 0.00 0.00 175.35 173.72 1n02 s TRP 50 N -3.65 3.35 -0.22 3.18 0.51 -1.26 0.10 118.94 120.94 1n02 s TRP 50 Ca 0.18 1.09 -0.30 0.00 -2.12 0.00 0.00 56.10 54.94 1n02 s TRP 50 Cb 0.06 -2.97 0.16 0.00 -0.81 0.00 0.00 33.47 29.91 1n02 s TRP 50 CO -0.01 -0.31 1.19 -1.14 -0.51 0.00 0.00 176.95 176.17 1n02 s GLN 51 N 2.45 0.31 -0.80 4.98 0.74 0.78 -4.85 119.66 123.28 1n02 s GLN 51 Ca 0.33 0.07 -0.15 0.00 0.05 0.00 0.00 55.36 55.66 1n02 s GLN 51 Cb -0.16 0.15 -0.11 0.00 1.10 0.00 0.00 33.01 33.99 1n02 s GLN 51 CO 0.09 -0.10 1.97 -2.30 -0.55 0.00 0.00 175.29 174.40 1n02 n PRO 52 N 0.59 1.68 -3.66 1.67 -0.02 -1.24 -3.84 135.00 130.19 1n02 n PRO 52 Ca -0.05 -1.64 -0.11 0.00 -2.02 0.00 0.00 63.50 59.69 1n02 n PRO 52 Cb 0.58 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.29 1n02 n PRO 52 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1n02 s SER 53 N 4.37 -0.74 -0.52 2.55 1.04 -1.25 -4.97 113.70 114.17 1n02 s SER 53 Ca 0.48 1.30 -0.28 0.00 0.48 0.00 0.00 55.95 57.94 1n02 s SER 53 Cb 0.12 1.24 0.03 0.00 0.10 0.00 0.00 66.02 67.51 1n02 s SER 53 CO 0.05 -0.22 1.11 0.20 0.98 0.00 0.00 173.24 175.36 1n02 s ASN 54 N 0.98 6.51 0.53 7.02 0.01 -0.53 -3.08 114.94 126.39 1n02 s ASN 54 Ca -0.05 0.20 0.36 0.00 -0.71 0.00 0.00 52.86 52.65 1n02 s ASN 54 Cb -0.05 -2.53 1.52 0.00 0.41 0.00 0.00 41.25 40.60 1n02 s ASN 54 CO -0.09 -1.31 1.79 2.19 -1.51 0.00 0.00 177.10 178.17 1n02 h PHE 55 N 9.34 0.07 0.00 2.20 -5.15 -1.79 -0.30 116.94 121.30 1n02 h PHE 55 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 1n02 h PHE 55 Cb 1.06 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1n02 h PHE 55 CO 0.98 0.00 0.59 0.66 -2.00 0.00 0.00 178.31 178.54 1n02 h SER 56 N 0.04 0.00 0.33 -0.68 4.64 -1.88 0.97 113.55 116.96 1n02 h SER 56 Ca 0.59 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.87 1n02 h SER 56 Cb 2.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.37 1n02 h SER 56 CO -0.04 0.00 -0.18 1.56 -0.87 0.00 0.00 176.83 177.30 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.46 -3.21 115.11 119.41 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 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1n02 h GLN 57 CO 0.00 0.18 0.00 0.25 -0.67 0.00 0.00 178.83 178.59 1n02 n THR 58 N -3.90 0.00 -4.21 -0.54 -2.24 0.24 -5.07 114.28 98.56 1n02 n THR 58 Ca -0.02 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1n02 n THR 58 Cb 0.27 1.40 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.23 0.34 -0.97 0.00 1.13 0.19 -4.58 117.35 112.23 1n02 s TYR 60 Ca 0.22 -0.78 -0.01 0.00 -1.41 0.00 0.00 57.07 55.10 1n02 s TYR 60 Cb -0.11 -0.25 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1n02 s TYR 60 CO 0.15 -0.38 0.81 0.09 -2.51 0.00 0.00 175.55 173.71 1n02 n ASN 61 N 0.41 -2.48 -4.74 -0.18 5.03 -1.26 -2.82 115.26 109.22 1n02 n ASN 61 Ca -0.17 -0.48 -0.41 0.00 0.87 0.00 0.00 54.58 54.39 1n02 n ASN 61 Cb 0.60 -4.17 -0.03 0.00 -1.02 0.00 0.00 39.78 35.16 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1n02 s SER 62 N -3.97 7.00 0.02 6.41 0.01 -1.26 -4.23 113.70 117.67 1n02 s SER 62 Ca 0.06 2.29 -0.03 0.00 1.31 0.00 0.00 55.95 59.59 1n02 s SER 62 Cb -0.03 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 1n02 s SER 62 CO 0.58 -0.45 0.03 0.00 0.41 0.00 0.00 173.24 173.81 1n02 s ALA 63 N 0.13 0.02 0.00 1.44 0.00 0.33 -4.95 121.76 118.74 1n02 s ALA 63 Ca 0.55 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.01 1n02 s ALA 63 Cb -0.34 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1n02 s ALA 63 CO 0.37 -0.22 -0.13 0.42 0.00 0.00 0.00 175.76 176.20 1n02 s ILE 64 N -1.89 1.01 -0.19 0.00 1.01 -1.26 0.11 121.20 119.98 1n02 s ILE 64 Ca -0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 1n02 s ILE 64 Cb -0.06 -0.86 0.06 0.00 0.01 0.00 0.00 42.46 41.61 1n02 s ILE 64 CO -0.02 0.20 0.07 -1.10 0.00 0.00 0.00 174.94 174.10 1n02 s GLN 65 N -0.51 0.31 7.83 2.79 -0.21 -0.75 -4.57 119.66 124.54 1n02 s GLN 65 Ca 0.04 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1n02 s GLN 65 Cb -0.06 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.06 1n02 s GLN 65 CO -0.00 -0.69 0.00 0.41 -2.12 0.00 0.00 175.29 172.89 1n02 n GLY 66 N 5.18 3.17 0.62 3.09 0.00 -1.26 -2.38 105.19 113.61 1n02 n GLY 66 Ca -0.08 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 8.44 2.25 -4.80 1.61 3.41 -1.26 -4.74 113.62 118.53 1n02 n SER 67 Ca 0.00 -1.62 -0.36 0.00 -0.26 0.00 0.00 58.87 56.62 1n02 n SER 67 Cb 0.00 0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 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 -2.02 5.10 -0.20 -3.33 1.01 -1.00 -1.97 120.40 117.98 1n02 s VAL 68 Ca 0.20 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1n02 s VAL 68 Cb 0.17 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1n02 s VAL 68 CO 0.40 0.60 0.10 -0.22 0.00 0.00 0.00 175.10 175.98 1n02 s LEU 69 N -0.89 3.93 -0.16 3.92 2.96 -0.63 -1.82 118.68 125.99 1n02 s LEU 69 Ca 0.14 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1n02 s LEU 69 Cb -0.12 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1n02 s LEU 69 CO 0.03 0.14 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.15 1n02 s THR 70 N 0.60 2.59 0.02 3.68 2.01 0.29 -2.80 115.64 122.03 1n02 s THR 70 Ca 0.05 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1n02 s THR 70 Cb -0.13 -2.10 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1n02 s THR 70 CO 0.01 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.27 1n02 s SER 71 N 0.96 -0.23 -0.19 3.53 0.15 -1.18 0.12 113.70 116.86 1n02 s SER 71 Ca -0.03 0.00 -0.15 0.00 0.70 0.00 0.00 55.95 56.47 1n02 s SER 71 Cb -0.15 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO -0.03 -0.59 0.37 -0.89 1.20 0.00 0.00 173.24 173.31 1n02 s THR 72 N -2.13 5.22 0.03 6.45 2.01 -1.13 -1.53 115.64 124.57 1n02 s THR 72 Ca -0.08 0.66 0.07 0.00 0.31 0.00 0.00 61.69 62.66 1n02 s THR 72 Cb -0.02 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1n02 s THR 72 CO -0.00 0.28 -0.19 0.00 -0.69 0.00 0.00 174.62 174.01 1n02 s GLU 74 N -1.07 4.59 0.06 0.00 2.12 0.03 0.99 118.70 125.42 1n02 s GLU 74 Ca 0.07 1.78 -0.14 0.00 0.36 0.00 0.00 54.97 57.04 1n02 s GLU 74 Cb -0.08 -3.24 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 1n02 s GLU 74 CO 0.01 0.08 0.45 1.03 -0.54 0.00 0.00 175.26 176.30 1n02 s ARG 75 N -0.68 3.92 0.58 4.30 0.52 -1.00 -2.60 118.95 123.98 1n02 s ARG 75 Ca 0.49 0.40 0.29 0.00 -0.52 0.00 0.00 55.73 56.38 1n02 s ARG 75 Cb -0.31 -3.11 1.47 0.00 0.52 0.00 0.00 34.95 33.52 1n02 s ARG 75 CO 0.37 0.61 1.89 1.15 0.02 0.00 0.00 175.30 179.34 1n02 h THR 76 N 3.29 0.38 -0.02 0.02 2.02 -1.92 0.76 112.91 117.44 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 68.22 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 -3.76 0.50 0.00 4.18 5.15 -1.26 -4.99 115.26 115.08 1n02 n ASN 77 Ca 0.09 -1.27 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 1n02 n ASN 77 Cb 0.70 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1n02 n GLY 78 N 1.01 0.12 0.00 8.20 0.00 0.27 -5.12 105.19 109.66 1n02 n GLY 78 Ca 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 1.51 -0.16 3.08 -0.02 0.00 -1.26 -4.70 105.19 103.65 1n02 n GLY 79 Ca 0.00 -2.26 -0.18 0.00 0.00 0.00 0.00 46.02 43.58 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 0.00 0.96 -0.20 1.61 2.02 -1.26 -2.38 117.35 118.09 1n02 s TYR 80 Ca 0.00 -0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.30 1n02 s TYR 80 Cb 0.00 -0.59 0.07 0.00 -0.40 0.00 0.00 41.96 41.04 1n02 s TYR 80 CO 0.00 -0.00 0.50 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.82 -0.65 -0.05 2.29 3.84 0.28 -4.90 114.94 114.93 1n02 s ASN 81 Ca 0.01 1.08 -0.17 0.00 0.21 0.00 0.00 52.86 53.99 1n02 s ASN 81 Cb -0.06 0.96 -0.05 0.00 -0.55 0.00 0.00 41.25 41.55 1n02 s ASN 81 CO 0.00 -0.21 0.47 0.28 -2.79 0.00 0.00 177.10 174.86 1n02 s THR 82 N 1.48 5.06 0.22 -5.21 -1.32 -1.26 0.83 115.64 115.43 1n02 s THR 82 Ca -0.10 0.97 0.10 0.00 -1.21 0.00 0.00 61.69 61.45 1n02 s THR 82 Cb -0.07 -3.80 -0.05 0.00 -1.51 0.00 0.00 72.50 67.07 1n02 s THR 82 CO -0.15 0.44 -0.18 -0.94 -2.21 0.00 0.00 174.62 171.58 1n02 s SER 83 N -0.18 3.01 0.06 8.08 1.04 -0.58 -4.92 113.70 120.21 1n02 s SER 83 Ca 0.26 -0.96 0.08 0.00 0.48 0.00 0.00 55.95 55.81 1n02 s SER 83 Cb -0.16 -0.20 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 1n02 s SER 83 CO 0.13 -0.04 -0.24 -0.44 0.98 0.00 0.00 173.24 173.63 1n02 s SER 84 N -3.13 2.82 -0.04 7.02 0.01 -1.26 -3.11 113.70 116.01 1n02 s SER 84 Ca 0.23 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.84 1n02 s SER 84 Cb -0.04 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.97 1n02 s SER 84 CO 0.10 0.19 0.16 -0.51 0.41 0.00 0.00 173.24 173.59 1n02 s ILE 85 N -0.85 0.03 -0.33 1.44 2.07 -1.12 -4.92 121.20 117.52 1n02 s ILE 85 Ca 0.10 -0.23 -0.15 0.00 -1.41 0.00 0.00 60.65 58.95 1n02 s ILE 85 Cb -0.09 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.17 1n02 s ILE 85 CO 0.02 -0.13 0.38 -0.62 -1.91 0.00 0.00 174.94 172.69 1n02 s ASP 86 N -0.41 6.21 0.00 4.50 2.15 -1.26 -1.60 116.67 126.26 1n02 s ASP 86 Ca -0.05 -0.10 0.23 0.00 0.43 0.00 0.00 52.55 53.06 1n02 s ASP 86 Cb -0.03 -2.21 0.13 0.00 -0.30 0.00 0.00 42.92 40.51 1n02 s ASP 86 CO 0.01 -0.33 1.16 0.18 -0.17 0.00 0.00 175.17 176.02 1n02 n LEU 87 N 5.42 1.36 -0.33 -1.34 4.77 -0.83 -4.46 117.00 121.58 1n02 n LEU 87 Ca -0.08 -0.50 0.36 0.00 -0.03 0.00 0.00 56.01 55.76 1n02 n LEU 87 Cb 0.50 -0.05 0.70 0.00 -2.33 0.00 0.00 43.42 42.23 1n02 n LEU 87 CO 0.40 0.28 1.33 -1.13 -1.33 0.00 0.00 177.39 176.94 1n02 h ASN 88 N 1.20 0.00 0.35 -1.43 -0.00 -1.87 0.38 115.58 114.22 1n02 h ASN 88 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.98 1n02 h ASN 88 Cb 0.60 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.94 1n02 h ASN 88 CO 0.00 0.00 -1.51 0.28 -0.00 0.00 0.00 177.43 176.20 1n02 h SER 89 N 0.00 0.64 0.10 1.15 0.02 -1.78 0.66 113.55 114.33 1n02 h SER 89 Ca 0.59 -0.76 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1n02 h SER 89 Cb 2.64 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.98 1n02 h SER 89 CO -0.01 1.61 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.88 1n02 h VAL 90 N 0.11 1.03 -3.86 2.27 -1.51 -0.57 -3.29 116.25 110.44 1n02 h VAL 90 Ca -0.25 -1.36 -0.47 0.00 -1.23 0.00 0.00 66.70 63.39 1n02 h VAL 90 Cb 2.09 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 33.02 1n02 h VAL 90 CO 0.22 0.29 0.25 -0.63 -1.23 0.00 0.00 177.57 176.47 1n02 s ILE 91 N -3.15 4.44 0.18 7.19 1.09 -0.71 0.94 121.20 131.17 1n02 s ILE 91 Ca -0.13 1.43 0.00 0.00 -1.10 0.00 0.00 60.65 60.85 1n02 s ILE 91 Cb -0.00 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1n02 s ILE 91 CO 0.50 -0.08 0.06 -0.70 -0.10 0.00 0.00 174.94 174.62 1n02 s GLU 92 N -2.65 1.11 -0.48 2.79 2.12 0.37 -3.12 118.70 118.84 1n02 s GLU 92 Ca 0.54 -1.56 -0.09 0.00 0.36 0.00 0.00 54.97 54.23 1n02 s GLU 92 Cb -0.13 -0.01 0.12 0.00 0.26 0.00 0.00 34.13 34.37 1n02 s GLU 92 CO 0.18 -0.24 0.35 1.21 -0.54 0.00 0.00 175.26 176.22 1n02 s ASN 93 N -3.15 5.69 -0.67 -1.70 2.47 -1.26 -0.69 114.94 115.63 1n02 s ASN 93 Ca 0.29 -1.98 -0.16 0.00 0.42 0.00 0.00 52.86 51.43 1n02 s ASN 93 Cb 0.07 -2.00 0.15 0.00 -1.45 0.00 0.00 41.25 38.02 1n02 s ASN 93 CO 0.06 -0.67 0.67 -0.69 -3.72 0.00 0.00 177.10 172.75 1n02 s VAL 94 N 1.27 5.24 -1.31 -5.21 1.01 0.12 -4.51 120.40 117.00 1n02 s VAL 94 Ca 0.07 -1.73 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 1n02 s VAL 94 Cb -0.25 -4.44 0.03 0.00 0.00 0.00 0.00 36.38 31.72 1n02 s VAL 94 CO -0.01 -1.02 0.34 -0.67 0.00 0.00 0.00 175.10 173.74 1n02 n ASP 95 N 5.13 -4.45 0.00 3.32 2.03 -1.26 -1.71 116.55 119.61 1n02 n ASP 95 Ca -0.01 -0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1n02 n ASP 95 Cb 0.43 -3.68 0.00 0.00 -0.72 0.00 0.00 41.12 37.15 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 -1.14 1.31 2.85 0.27 0.00 -1.26 -4.68 105.19 102.55 1n02 n GLY 96 Ca -0.09 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 1n02 n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1n02 s SER 97 N -2.37 0.00 -0.13 1.61 1.04 -0.69 -4.58 113.70 108.57 1n02 s SER 97 Ca 0.00 0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.23 1n02 s SER 97 Cb 0.00 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.12 1n02 s SER 97 CO 0.00 -0.09 1.29 -0.76 0.98 0.00 0.00 173.24 174.66 1n02 s LEU 98 N 0.70 4.21 -0.03 2.42 1.43 -1.25 0.12 118.68 126.27 1n02 s LEU 98 Ca -0.06 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.86 1n02 s LEU 98 Cb -0.08 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1n02 s LEU 98 CO -0.02 -0.74 -0.19 -0.54 0.23 0.00 0.00 176.35 175.09 1n02 s LYS 99 N 3.29 1.78 0.45 1.70 1.02 0.13 -4.81 119.74 123.30 1n02 s LYS 99 Ca 0.57 -0.67 -0.14 0.00 0.02 0.00 0.00 55.97 55.74 1n02 s LYS 99 Cb -0.23 -1.60 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 1n02 s LYS 99 CO 0.17 0.32 0.88 -0.47 -0.92 0.00 0.00 175.35 175.33 1n02 s TYR 100 N -0.16 3.44 -2.20 3.18 6.14 -1.26 0.14 117.35 126.63 1n02 s TYR 100 Ca 0.00 1.30 0.30 0.00 0.64 0.00 0.00 57.07 59.32 1n02 s TYR 100 Cb -0.10 -2.64 1.56 0.00 0.42 0.00 0.00 41.96 41.19 1n02 s TYR 100 CO 0.01 -0.22 2.03 0.39 0.64 0.00 0.00 175.55 178.41