#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 0.76 0.00 0.99 2.96 -1.26 -5.06 118.68 117.07 1n02 s LEU 1 Ca 0.00 -1.51 0.00 0.00 -0.22 0.00 0.00 54.13 52.40 1n02 s LEU 1 Cb 0.00 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.29 1n02 s LEU 1 CO 0.00 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.23 1n02 n GLY 2 N 4.96 0.95 2.83 7.98 0.00 -1.25 -4.53 105.19 116.13 1n02 n GLY 2 Ca -0.02 0.45 -0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.12 -0.03 1.61 5.02 0.25 -4.68 118.16 119.20 1n02 n LYS 3 Ca 0.00 1.35 -0.19 0.00 -2.02 0.00 0.00 58.31 57.45 1n02 n LYS 3 Cb 0.00 -5.13 -0.14 0.00 -0.02 0.00 0.00 35.03 29.74 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1n02 n PHE 4 N -1.65 0.94 0.29 2.13 -1.74 -1.22 -4.07 117.46 112.12 1n02 n PHE 4 Ca 0.00 0.21 0.17 0.00 -0.56 0.00 0.00 57.45 57.26 1n02 n PHE 4 Cb 0.50 -1.13 0.81 0.00 1.52 0.00 0.00 39.48 41.18 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 0.05 0.00 0.00 1.97 6.09 -1.87 -0.03 117.51 123.72 1n02 h ILE 5 Ca -0.45 -0.15 -0.11 0.00 -1.37 0.00 0.00 64.86 62.78 1n02 h ILE 5 Cb 2.01 0.96 -0.02 0.00 0.47 0.00 0.00 36.82 40.24 1n02 h ILE 5 CO 0.05 0.00 -0.54 -0.08 -3.07 0.00 0.00 178.15 174.51 1n02 h GLU 6 N 0.00 0.00 -0.04 2.19 4.22 -1.97 -3.24 114.58 115.74 1n02 h GLU 6 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1n02 h GLU 6 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1n02 h GLU 6 CO 0.00 0.54 0.00 0.25 -2.18 0.00 0.00 179.01 177.62 1n02 n THR 7 N -3.39 1.82 -4.14 0.32 -2.24 -0.44 -5.03 114.28 101.17 1n02 n THR 7 Ca 0.01 -2.04 -0.13 0.00 -2.27 0.00 0.00 64.05 59.61 1n02 n THR 7 Cb 0.67 -0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.70 1.56 -1.21 0.00 1.70 -0.41 -4.76 118.95 113.13 1n02 s ARG 9 Ca 0.03 -1.88 -0.17 0.00 -0.47 0.00 0.00 55.73 53.24 1n02 s ARG 9 Cb -0.03 -0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.09 1n02 s ARG 9 CO -0.01 -0.38 0.70 0.27 -1.08 0.00 0.00 175.30 174.80 1n02 n ASN 10 N -0.77 -3.99 -4.73 -2.89 6.94 -1.26 -2.50 115.26 106.06 1n02 n ASN 10 Ca -0.00 -1.03 -0.41 0.00 -0.02 0.00 0.00 54.58 53.12 1n02 n ASN 10 Cb 0.65 -3.22 -0.04 0.00 -2.36 0.00 0.00 39.78 34.82 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 -3.59 4.49 0.20 5.53 -4.23 -1.26 -4.38 115.64 112.39 1n02 s THR 11 Ca 0.36 2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 62.69 1n02 s THR 11 Cb -0.13 -4.30 0.04 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.87 0.29 0.59 0.00 -0.54 0.00 0.00 174.62 175.84 1n02 s GLN 12 N 0.10 1.41 -0.11 3.99 -2.07 -1.01 -4.45 119.66 117.52 1n02 s GLN 12 Ca 0.48 -0.72 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 1n02 s GLN 12 Cb -0.24 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1n02 s GLN 12 CO 0.30 -0.62 0.25 -1.17 -1.32 0.00 0.00 175.29 172.73 1n02 s LEU 13 N -2.83 4.34 0.07 2.60 2.96 -1.26 -1.46 118.68 123.10 1n02 s LEU 13 Ca 0.06 0.57 0.10 0.00 -0.22 0.00 0.00 54.13 54.63 1n02 s LEU 13 Cb -0.02 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1n02 s LEU 13 CO -0.05 0.27 -0.26 0.00 -1.32 0.00 0.00 176.35 174.98 1n02 s ALA 14 N -0.43 2.26 0.00 5.97 0.00 0.46 -4.89 121.76 125.14 1n02 s ALA 14 Ca 0.17 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.81 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 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.75 1n02 n GLY 15 N 1.51 0.98 0.12 0.00 0.00 -1.26 -1.04 105.19 105.50 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 5.33 0.41 -0.25 1.61 0.02 -1.97 -3.41 113.55 115.29 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 -0.38 0.00 0.14 0.00 0.00 62.40 62.02 1n02 h SER 16 CO 0.00 1.55 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.65 1n02 n SER 17 N -3.45 1.22 -4.47 3.07 3.41 -1.25 -4.73 113.62 107.41 1n02 n SER 17 Ca -0.21 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.08 1n02 n SER 17 Cb 1.05 -0.36 -0.12 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 -2.24 2.03 -0.13 4.33 8.01 -0.21 0.23 118.70 130.71 1n02 s GLU 18 Ca 0.28 -1.01 0.02 0.00 0.01 0.00 0.00 54.97 54.27 1n02 s GLU 18 Cb 0.34 -2.18 0.01 0.00 -4.31 0.00 0.00 34.13 27.99 1n02 s GLU 18 CO -0.09 0.53 -0.21 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -1.58 2.04 0.04 1.80 2.96 0.49 0.17 118.68 124.60 1n02 s LEU 19 Ca 0.15 -0.57 0.09 0.00 -0.22 0.00 0.00 54.13 53.58 1n02 s LEU 19 Cb -0.11 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1n02 s LEU 19 CO 0.06 0.07 -0.26 0.00 -1.32 0.00 0.00 176.35 174.91 1n02 s ALA 20 N 0.84 2.28 0.28 5.97 0.00 -0.54 0.47 121.76 131.08 1n02 s ALA 20 Ca -0.07 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 1n02 s ALA 20 Cb -0.15 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.49 1n02 s ALA 20 CO -0.02 0.54 0.78 0.00 0.00 0.00 0.00 175.76 177.06 1n02 s ALA 21 N -0.80 -1.18 -0.11 0.00 0.00 0.85 -2.40 121.76 118.12 1n02 s ALA 21 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 1n02 s ALA 21 Cb -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1n02 s ALA 21 CO 0.02 -1.03 -0.10 -1.21 0.00 0.00 0.00 175.76 173.44 1n02 s GLU 22 N -3.37 3.19 -0.04 0.00 2.02 -1.04 0.10 118.70 119.56 1n02 s GLU 22 Ca 0.13 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.52 1n02 s GLU 22 Cb -0.05 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.54 1n02 s GLU 22 CO 0.07 0.38 -0.10 0.00 0.02 0.00 0.00 175.26 175.63 1n02 s LYS 24 N 0.45 4.31 0.55 0.00 -2.85 -1.11 -2.56 119.74 118.53 1n02 s LYS 24 Ca -0.08 2.23 -0.06 0.00 -1.00 0.00 0.00 55.97 57.06 1n02 s LYS 24 Cb -0.12 -3.12 0.12 0.00 -2.06 0.00 0.00 37.83 32.65 1n02 s LYS 24 CO 0.02 -0.34 0.76 0.25 0.10 0.00 0.00 175.35 176.13 1n02 n THR 25 N 2.14 0.00 0.25 3.79 -2.24 0.29 -4.03 114.28 114.48 1n02 n THR 25 Ca 0.05 -0.81 0.07 0.00 -2.27 0.00 0.00 64.05 61.09 1n02 n THR 25 Cb 0.41 -1.39 0.59 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.52 114.38 113.22 1n02 h ARG 26 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1n02 h ARG 26 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1n02 h ARG 26 CO 0.21 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.18 1n02 n ALA 27 N -2.52 2.51 -2.96 0.04 0.00 -1.26 -4.86 120.51 111.46 1n02 n ALA 27 Ca -0.03 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 1n02 n ALA 27 Cb 0.15 -1.05 0.04 0.00 0.00 0.00 0.00 19.45 18.59 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 -0.36 -4.14 -5.15 0.00 6.02 -0.57 -5.02 117.38 108.15 1n02 n GLN 28 Ca 0.05 0.60 -0.32 0.00 -0.01 0.00 0.00 57.00 57.31 1n02 n GLN 28 Cb 0.07 -4.84 -0.16 0.00 1.02 0.00 0.00 30.24 26.33 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 -5.54 2.57 -0.19 -1.09 -0.21 -1.26 -4.87 119.66 109.07 1n02 s GLN 29 Ca 0.28 -0.85 -0.17 0.00 0.02 0.00 0.00 55.36 54.64 1n02 s GLN 29 Cb -0.12 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.61 1n02 s GLN 29 CO 0.35 0.44 0.47 -0.06 -2.12 0.00 0.00 175.29 174.36 1n02 s PHE 30 N -0.28 3.39 0.10 0.91 0.40 -1.26 0.11 117.98 121.34 1n02 s PHE 30 Ca 0.01 0.74 0.06 0.00 -0.60 0.00 0.00 56.93 57.13 1n02 s PHE 30 Cb -0.13 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 1n02 s PHE 30 CO 0.03 -0.03 -0.14 0.14 0.70 0.00 0.00 175.22 175.92 1n02 s VAL 31 N 1.36 1.24 0.15 -0.44 -7.23 -1.06 -4.93 120.40 109.50 1n02 s VAL 31 Ca 0.23 -1.54 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1n02 s VAL 31 Cb -0.15 -1.34 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 1n02 s VAL 31 CO 0.09 -0.33 1.21 -0.55 -0.31 0.00 0.00 175.10 175.22 1n02 s SER 32 N -2.14 7.06 0.08 4.85 0.15 -1.26 -0.83 113.70 121.62 1n02 s SER 32 Ca 0.04 2.19 -0.03 0.00 0.70 0.00 0.00 55.95 58.85 1n02 s SER 32 Cb -0.07 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 1n02 s SER 32 CO 0.03 -0.42 0.06 0.28 1.20 0.00 0.00 173.24 174.39 1n02 s THR 33 N 0.28 0.17 0.04 6.45 -1.32 0.28 -4.90 115.64 116.64 1n02 s THR 33 Ca 0.55 -1.66 -0.04 0.00 -1.21 0.00 0.00 61.69 59.34 1n02 s THR 33 Cb -0.32 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.05 1n02 s THR 33 CO 0.34 -0.77 0.05 -0.75 -2.21 0.00 0.00 174.62 171.29 1n02 s LYS 34 N -3.93 0.55 -0.05 7.08 2.20 -1.26 -0.10 119.74 124.22 1n02 s LYS 34 Ca 0.10 -0.81 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 1n02 s LYS 34 Cb 0.07 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.62 1n02 s LYS 34 CO -0.07 -0.13 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.29 1n02 s ILE 35 N -2.66 0.30 -0.25 5.43 1.10 0.18 -4.41 121.20 120.89 1n02 s ILE 35 Ca -0.05 0.09 -0.21 0.00 -0.51 0.00 0.00 60.65 59.98 1n02 s ILE 35 Cb -0.01 -0.42 -0.02 0.00 0.15 0.00 0.00 42.46 42.16 1n02 s ILE 35 CO -0.05 0.21 0.67 0.21 -2.11 0.00 0.00 174.94 173.87 1n02 s ASN 36 N 1.49 6.64 0.11 4.50 3.84 -1.26 -0.38 114.94 129.89 1n02 s ASN 36 Ca -0.03 0.79 0.24 0.00 0.21 0.00 0.00 52.86 54.07 1n02 s ASN 36 Cb -0.13 -2.36 0.39 0.00 -0.55 0.00 0.00 41.25 38.60 1n02 s ASN 36 CO -0.03 -0.39 1.35 0.18 -2.79 0.00 0.00 177.10 175.42 1n02 n LEU 37 N 5.72 0.68 -0.19 3.21 4.32 0.14 -3.89 117.00 126.99 1n02 n LEU 37 Ca 0.01 0.23 -0.04 0.00 -0.02 0.00 0.00 56.01 56.19 1n02 n LEU 37 Cb 0.49 -0.20 0.06 0.00 -1.62 0.00 0.00 43.42 42.15 1n02 n LEU 37 CO 0.44 -0.05 1.05 -2.24 -1.22 0.00 0.00 177.39 175.38 1n02 h ASP 38 N 0.00 0.46 0.41 -1.43 2.03 -1.46 1.06 116.42 117.48 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 0.73 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1n02 h ASP 38 CO 0.00 0.32 -0.65 -0.90 -1.03 0.00 0.00 179.24 176.98 1n02 n ASP 39 N -4.83 0.62 -0.04 4.15 5.68 -1.26 -1.32 116.55 119.55 1n02 n ASP 39 Ca 0.05 -0.39 -0.04 0.00 -0.50 0.00 0.00 54.79 53.92 1n02 n ASP 39 Cb 0.13 0.44 -0.01 0.00 -1.14 0.00 0.00 41.12 40.54 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 -1.56 0.08 -2.83 2.11 8.25 -0.95 -3.81 115.22 116.52 1n02 n HIS 40 Ca 0.05 0.03 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 1n02 n HIS 40 Cb 0.35 -0.27 -0.07 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.79 4.42 0.24 1.59 -1.09 0.36 -1.16 121.20 123.76 1n02 s ILE 41 Ca -0.12 1.43 -0.00 0.00 -2.23 0.00 0.00 60.65 59.74 1n02 s ILE 41 Cb 0.02 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1n02 s ILE 41 CO 0.17 -0.32 0.20 0.00 -1.23 0.00 0.00 174.94 173.76 1n02 s ALA 42 N -2.18 1.20 -0.31 9.38 0.00 0.18 -3.79 121.76 126.24 1n02 s ALA 42 Ca 0.61 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1n02 s ALA 42 Cb -0.09 1.38 0.04 0.00 0.00 0.00 0.00 23.12 24.45 1n02 s ALA 42 CO 0.14 -0.63 0.03 1.21 0.00 0.00 0.00 175.76 176.51 1n02 s ASN 43 N -3.20 5.01 -0.67 0.00 2.47 -1.26 -1.54 114.94 115.75 1n02 s ASN 43 Ca 0.38 -1.17 -0.04 0.00 0.42 0.00 0.00 52.86 52.45 1n02 s ASN 43 Cb 0.05 -1.77 0.17 0.00 -1.45 0.00 0.00 41.25 38.26 1n02 s ASN 43 CO 0.15 -0.27 0.50 -0.63 -3.72 0.00 0.00 177.10 173.14 1n02 s ILE 44 N 1.32 3.99 -0.79 -5.21 -1.09 0.70 -4.64 121.20 115.48 1n02 s ILE 44 Ca -0.03 -2.98 -0.05 0.00 -2.23 0.00 0.00 60.65 55.36 1n02 s ILE 44 Cb -0.19 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1n02 s ILE 44 CO 0.00 -0.91 0.62 -0.67 -1.23 0.00 0.00 174.94 172.75 1n02 n ASP 45 N 3.45 -4.43 0.00 3.58 -0.08 -1.26 -2.59 116.55 115.21 1n02 n ASP 45 Ca 0.10 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1n02 n ASP 45 Cb 0.39 -3.06 0.00 0.00 2.34 0.00 0.00 41.12 40.79 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 -1.33 0.91 3.54 0.27 0.00 -1.04 -4.27 105.19 103.27 1n02 n GLY 46 Ca -0.01 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 -3.61 3.67 -0.28 2.61 2.01 -1.07 -4.50 115.64 114.47 1n02 s THR 47 Ca 0.00 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.24 1n02 s THR 47 Cb 0.00 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.98 1n02 s THR 47 CO 0.00 0.57 1.22 -0.76 -0.69 0.00 0.00 174.62 174.96 1n02 s LEU 48 N -0.43 3.95 0.13 4.42 1.43 -1.26 -0.21 118.68 126.70 1n02 s LEU 48 Ca 0.06 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1n02 s LEU 48 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.02 -0.96 -0.04 -0.54 0.23 0.00 0.00 176.35 175.06 1n02 s LYS 49 N 3.89 0.96 -0.26 1.70 1.02 -0.59 -4.89 119.74 121.57 1n02 s LYS 49 Ca 0.52 -1.43 -0.23 0.00 0.02 0.00 0.00 55.97 54.86 1n02 s LYS 49 Cb -0.16 -0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 1n02 s LYS 49 CO 0.19 -0.06 0.77 -1.58 -0.92 0.00 0.00 175.35 173.75 1n02 s TRP 50 N -3.63 3.27 -0.29 3.18 0.51 -1.26 0.51 118.94 121.24 1n02 s TRP 50 Ca 0.17 0.96 -0.26 0.00 -2.12 0.00 0.00 56.10 54.86 1n02 s TRP 50 Cb 0.05 -3.05 0.17 0.00 -0.81 0.00 0.00 33.47 29.83 1n02 s TRP 50 CO -0.01 -0.43 1.31 -1.14 -0.51 0.00 0.00 176.95 176.17 1n02 s GLN 51 N 2.80 0.20 -0.72 4.98 2.00 -0.31 -4.87 119.66 123.73 1n02 s GLN 51 Ca 0.32 0.20 -0.28 0.00 -2.00 0.00 0.00 55.36 53.60 1n02 s GLN 51 Cb -0.15 0.10 -0.27 0.00 0.80 0.00 0.00 33.01 33.49 1n02 s GLN 51 CO 0.09 -0.03 1.92 -0.35 -0.50 0.00 0.00 175.29 176.42 1n02 n PRO 52 N 1.58 0.28 -3.64 1.67 -0.04 -1.25 -3.73 135.00 129.88 1n02 n PRO 52 Ca -0.10 -1.55 -0.07 0.00 -0.04 0.00 0.00 63.50 61.74 1n02 n PRO 52 Cb 0.57 -3.40 -0.07 0.00 -0.04 0.00 0.00 33.50 30.56 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 7.67 -0.55 -0.50 3.54 1.04 -1.24 -5.01 113.70 118.65 1n02 s SER 53 Ca 0.75 0.97 -0.27 0.00 0.48 0.00 0.00 55.95 57.88 1n02 s SER 53 Cb 0.03 1.10 0.03 0.00 0.10 0.00 0.00 66.02 67.28 1n02 s SER 53 CO 0.23 -0.16 1.07 0.20 0.98 0.00 0.00 173.24 175.56 1n02 s ASN 54 N 0.79 6.53 0.52 7.02 0.01 -0.43 -3.02 114.94 126.35 1n02 s ASN 54 Ca -0.03 0.23 0.32 0.00 -0.71 0.00 0.00 52.86 52.67 1n02 s ASN 54 Cb -0.05 -2.51 1.45 0.00 0.41 0.00 0.00 41.25 40.56 1n02 s ASN 54 CO -0.10 -1.23 1.84 2.19 -1.51 0.00 0.00 177.10 178.28 1n02 h PHE 55 N 9.25 0.10 0.00 2.20 -5.15 -1.80 -0.99 116.94 120.56 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 1.07 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 37.20 1n02 h PHE 55 CO 0.95 0.01 0.47 0.66 -2.00 0.00 0.00 178.31 178.40 1n02 h SER 56 N 0.07 0.00 0.17 -0.68 4.64 -1.87 0.16 113.55 116.04 1n02 h SER 56 Ca 0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.80 1n02 h SER 56 Cb 1.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1n02 h SER 56 CO -0.05 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.32 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.59 -3.17 115.11 119.32 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 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1n02 h GLN 57 CO 0.00 0.16 0.00 0.25 -0.67 0.00 0.00 178.83 178.57 1n02 n THR 58 N -4.29 0.10 -4.34 -0.54 -2.24 -0.04 -5.06 114.28 97.87 1n02 n THR 58 Ca -0.02 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 1n02 n THR 58 Cb 0.22 1.31 -0.10 0.00 -2.10 0.00 0.00 70.33 69.66 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 -1.13 0.30 -1.08 0.00 -0.85 0.28 -4.57 117.35 110.31 1n02 s TYR 60 Ca 0.20 -0.71 -0.04 0.00 -0.52 0.00 0.00 57.07 55.99 1n02 s TYR 60 Cb -0.11 -0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.03 1n02 s TYR 60 CO 0.11 -0.41 0.93 0.09 -1.52 0.00 0.00 175.55 174.75 1n02 n ASN 61 N 0.36 -4.13 -4.75 -0.18 3.02 -1.26 -2.81 115.26 105.51 1n02 n ASN 61 Ca -0.16 -0.48 -0.41 0.00 -0.03 0.00 0.00 54.58 53.50 1n02 n ASN 61 Cb 0.60 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.43 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 -3.63 6.89 0.03 6.41 0.01 -1.26 -4.27 113.70 117.87 1n02 s SER 62 Ca 0.28 2.50 -0.04 0.00 1.31 0.00 0.00 55.95 60.00 1n02 s SER 62 Cb -0.12 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 1n02 s SER 62 CO 0.61 -0.49 0.07 0.00 0.41 0.00 0.00 173.24 173.84 1n02 s ALA 63 N -0.50 -0.05 -0.01 1.44 0.00 0.42 -4.93 121.76 118.14 1n02 s ALA 63 Ca 0.52 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1n02 s ALA 63 Cb -0.37 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n02 s ALA 63 CO 0.44 -0.26 -0.13 0.42 0.00 0.00 0.00 175.76 176.23 1n02 s ILE 64 N -2.14 1.06 -0.20 0.00 1.01 -1.26 0.11 121.20 119.78 1n02 s ILE 64 Ca -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 1n02 s ILE 64 Cb -0.04 -0.89 0.07 0.00 0.01 0.00 0.00 42.46 41.60 1n02 s ILE 64 CO -0.03 0.28 0.06 -1.10 0.00 0.00 0.00 174.94 174.15 1n02 s GLN 65 N -0.38 0.47 7.93 2.79 -0.21 -0.72 -4.54 119.66 125.00 1n02 s GLN 65 Ca 0.05 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.04 1n02 s GLN 65 Cb -0.05 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 31.99 1n02 s GLN 65 CO -0.00 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.87 1n02 n GLY 66 N 5.11 3.45 0.56 3.09 0.00 -1.26 -2.30 105.19 113.83 1n02 n GLY 66 Ca -0.08 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 8.73 2.13 -4.82 1.61 3.41 -1.26 -4.77 113.62 118.65 1n02 n SER 67 Ca 0.00 -1.56 -0.36 0.00 -0.26 0.00 0.00 58.87 56.68 1n02 n SER 67 Cb 0.00 0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.19 5.18 -0.23 -3.33 1.01 -0.97 -1.72 120.40 118.14 1n02 s VAL 68 Ca 0.19 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1n02 s VAL 68 Cb 0.17 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1n02 s VAL 68 CO 0.47 0.60 0.14 -0.22 0.00 0.00 0.00 175.10 176.09 1n02 s LEU 69 N -0.89 4.02 -0.17 3.92 2.96 -0.27 -1.76 118.68 126.49 1n02 s LEU 69 Ca 0.14 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 1n02 s LEU 69 Cb -0.12 -2.07 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 1n02 s LEU 69 CO 0.03 0.07 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.11 1n02 s THR 70 N 1.03 2.78 0.03 3.68 2.01 0.31 -2.68 115.64 122.80 1n02 s THR 70 Ca 0.07 -0.72 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 1n02 s THR 70 Cb -0.14 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1n02 s THR 70 CO 0.04 0.50 0.37 -0.55 -0.69 0.00 0.00 174.62 174.29 1n02 s SER 71 N 1.03 -0.24 -0.19 3.53 0.15 -1.18 0.16 113.70 116.96 1n02 s SER 71 Ca -0.01 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.46 1n02 s SER 71 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1n02 s SER 71 CO -0.03 -0.61 0.40 -0.89 1.20 0.00 0.00 173.24 173.31 1n02 s THR 72 N -2.26 5.20 0.03 6.45 2.01 -1.12 -1.67 115.64 124.27 1n02 s THR 72 Ca -0.07 0.72 0.06 0.00 0.31 0.00 0.00 61.69 62.72 1n02 s THR 72 Cb -0.01 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1n02 s THR 72 CO -0.01 0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 173.99 1n02 s GLU 74 N -1.00 4.57 0.10 0.00 2.12 0.46 0.80 118.70 125.75 1n02 s GLU 74 Ca 0.06 1.80 -0.13 0.00 0.36 0.00 0.00 54.97 57.07 1n02 s GLU 74 Cb -0.08 -3.24 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 1n02 s GLU 74 CO 0.01 0.06 0.47 1.03 -0.54 0.00 0.00 175.26 176.29 1n02 s ARG 75 N -0.66 3.89 0.57 4.30 0.52 -1.09 -2.49 118.95 124.00 1n02 s ARG 75 Ca 0.49 0.37 0.29 0.00 -0.52 0.00 0.00 55.73 56.36 1n02 s ARG 75 Cb -0.31 -3.01 1.47 0.00 0.52 0.00 0.00 34.95 33.62 1n02 s ARG 75 CO 0.38 0.54 1.89 1.15 0.02 0.00 0.00 175.30 179.28 1n02 h THR 76 N 2.96 0.43 -0.04 0.02 2.02 -1.93 0.70 112.91 117.08 1n02 h THR 76 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1n02 h THR 76 Cb 1.20 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1n02 h THR 76 CO 0.65 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.13 1n02 n ASN 77 N -3.88 0.58 0.00 4.18 4.13 -1.26 -4.99 115.26 114.01 1n02 n ASN 77 Ca 0.11 -1.37 0.00 0.00 1.68 0.00 0.00 54.58 54.99 1n02 n ASN 77 Cb 0.74 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.96 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n02 n GLY 78 N 0.98 -0.13 0.00 7.41 0.00 0.25 -5.12 105.19 108.57 1n02 n GLY 78 Ca 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 1.06 -0.19 3.11 -0.02 0.00 -1.26 -4.68 105.19 103.20 1n02 n GLY 79 Ca 0.00 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 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 1.19 -0.20 1.61 2.02 -1.26 -2.67 117.35 118.04 1n02 s TYR 80 Ca 0.00 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.33 1n02 s TYR 80 Cb 0.00 -0.74 0.07 0.00 -0.40 0.00 0.00 41.96 40.89 1n02 s TYR 80 CO 0.00 -0.00 0.48 1.21 -1.57 0.00 0.00 175.55 175.67 1n02 s ASN 81 N -0.60 -0.61 -0.07 2.29 3.84 0.24 -4.90 114.94 115.13 1n02 s ASN 81 Ca 0.04 1.07 -0.16 0.00 0.21 0.00 0.00 52.86 54.02 1n02 s ASN 81 Cb -0.06 1.01 -0.05 0.00 -0.55 0.00 0.00 41.25 41.60 1n02 s ASN 81 CO 0.00 -0.21 0.42 0.28 -2.79 0.00 0.00 177.10 174.80 1n02 s THR 82 N 1.62 5.13 0.22 -5.21 -1.32 -1.26 0.86 115.64 115.68 1n02 s THR 82 Ca -0.09 0.84 0.10 0.00 -1.21 0.00 0.00 61.69 61.34 1n02 s THR 82 Cb -0.08 -3.74 -0.05 0.00 -1.51 0.00 0.00 72.50 67.12 1n02 s THR 82 CO -0.15 0.45 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.59 1n02 s SER 83 N -0.20 3.10 0.06 8.08 1.04 -0.67 -4.92 113.70 120.18 1n02 s SER 83 Ca 0.24 -0.97 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1n02 s SER 83 Cb -0.16 -0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.72 1n02 s SER 83 CO 0.11 -0.03 -0.23 -0.44 0.98 0.00 0.00 173.24 173.63 1n02 s SER 84 N -3.18 2.79 -0.04 7.02 0.01 -1.26 -3.11 113.70 115.91 1n02 s SER 84 Ca 0.24 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 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 0.18 -0.51 0.41 0.00 0.00 173.24 173.61 1n02 s ILE 85 N -0.86 0.03 -0.33 1.44 2.07 -1.09 -4.92 121.20 117.54 1n02 s ILE 85 Ca 0.09 -0.25 -0.15 0.00 -1.41 0.00 0.00 60.65 58.94 1n02 s ILE 85 Cb -0.09 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 1n02 s ILE 85 CO 0.02 -0.14 0.35 -0.62 -1.91 0.00 0.00 174.94 172.65 1n02 s ASP 86 N -0.45 6.18 0.00 4.50 2.15 -1.26 -1.12 116.67 126.67 1n02 s ASP 86 Ca -0.05 -0.14 0.24 0.00 0.43 0.00 0.00 52.55 53.02 1n02 s ASP 86 Cb -0.04 -2.19 0.19 0.00 -0.30 0.00 0.00 42.92 40.58 1n02 s ASP 86 CO 0.01 -0.30 1.22 0.18 -0.17 0.00 0.00 175.17 176.11 1n02 n LEU 87 N 5.36 1.84 -0.29 -1.34 4.77 -0.70 -4.47 117.00 122.17 1n02 n LEU 87 Ca -0.09 -0.65 0.34 0.00 -0.03 0.00 0.00 56.01 55.58 1n02 n LEU 87 Cb 0.50 -0.03 0.67 0.00 -2.33 0.00 0.00 43.42 42.23 1n02 n LEU 87 CO 0.39 0.34 1.32 -1.13 -1.33 0.00 0.00 177.39 176.98 1n02 h ASN 88 N 2.26 0.00 0.21 -1.43 -0.00 -1.87 0.29 115.58 115.05 1n02 h ASN 88 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.30 56.00 1n02 h ASN 88 Cb 0.71 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.05 1n02 h ASN 88 CO 0.00 0.00 -1.39 0.77 -0.00 0.00 0.00 177.43 176.81 1n02 h SER 89 N 0.00 0.69 0.09 1.15 4.64 -1.79 0.71 113.55 119.04 1n02 h SER 89 Ca 0.55 -0.93 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1n02 h SER 89 Cb 2.57 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 64.43 1n02 h SER 89 CO -0.01 1.66 -0.04 -0.37 -0.87 0.00 0.00 176.83 177.20 1n02 h VAL 90 N -0.01 1.16 -3.80 0.95 -1.51 -0.77 -3.33 116.25 108.94 1n02 h VAL 90 Ca -0.25 -1.29 -0.48 0.00 -1.23 0.00 0.00 66.70 63.45 1n02 h VAL 90 Cb 2.02 1.93 -0.02 0.00 -2.13 0.00 0.00 31.29 33.08 1n02 h VAL 90 CO 0.22 0.30 0.21 -0.63 -1.23 0.00 0.00 177.57 176.43 1n02 s ILE 91 N -3.56 4.48 0.16 7.19 1.09 -0.66 -3.88 121.20 126.02 1n02 s ILE 91 Ca -0.15 1.35 -0.01 0.00 -1.10 0.00 0.00 60.65 60.75 1n02 s ILE 91 Cb 0.00 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 1n02 s ILE 91 CO 0.57 -0.05 0.08 -0.70 -0.10 0.00 0.00 174.94 174.75 1n02 s GLU 92 N -2.57 1.03 -0.47 2.79 2.12 0.44 -3.44 118.70 118.60 1n02 s GLU 92 Ca 0.52 -1.51 -0.09 0.00 0.36 0.00 0.00 54.97 54.25 1n02 s GLU 92 Cb -0.13 0.25 0.12 0.00 0.26 0.00 0.00 34.13 34.62 1n02 s GLU 92 CO 0.19 -0.31 0.34 1.21 -0.54 0.00 0.00 175.26 176.15 1n02 s ASN 93 N -3.09 5.67 -0.63 -1.70 2.47 -1.26 -0.07 114.94 116.33 1n02 s ASN 93 Ca 0.30 -1.94 -0.16 0.00 0.42 0.00 0.00 52.86 51.48 1n02 s ASN 93 Cb 0.07 -2.00 0.14 0.00 -1.45 0.00 0.00 41.25 38.02 1n02 s ASN 93 CO 0.06 -0.68 0.62 -0.69 -3.72 0.00 0.00 177.10 172.69 1n02 s VAL 94 N 1.33 5.20 -1.31 -5.21 1.01 0.16 -4.51 120.40 117.06 1n02 s VAL 94 Ca 0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 1n02 s VAL 94 Cb -0.26 -4.42 0.03 0.00 0.00 0.00 0.00 36.38 31.74 1n02 s VAL 94 CO -0.01 -0.98 0.37 -0.67 0.00 0.00 0.00 175.10 173.81 1n02 n ASP 95 N 5.24 -4.46 0.00 3.32 2.03 -1.26 -1.77 116.55 119.65 1n02 n ASP 95 Ca -0.06 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1n02 n ASP 95 Cb 0.42 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.14 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 -1.16 1.34 2.89 0.27 0.00 -1.26 -4.67 105.19 102.60 1n02 n GLY 96 Ca -0.08 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.34 -0.04 -0.14 1.61 0.01 -0.73 -4.55 113.70 107.52 1n02 s SER 97 Ca 0.00 0.13 -0.29 0.00 1.31 0.00 0.00 55.95 57.10 1n02 s SER 97 Cb 0.00 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.30 1n02 s SER 97 CO 0.00 -0.07 1.31 -0.76 0.41 0.00 0.00 173.24 174.12 1n02 s LEU 98 N 0.50 4.21 -0.03 2.44 1.43 -1.24 0.38 118.68 126.35 1n02 s LEU 98 Ca -0.04 1.77 0.06 0.00 -1.03 0.00 0.00 54.13 54.89 1n02 s LEU 98 Cb -0.06 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1n02 s LEU 98 CO -0.02 -0.77 -0.20 -0.54 0.23 0.00 0.00 176.35 175.05 1n02 s LYS 99 N 3.45 1.89 0.13 1.70 1.02 0.90 -4.80 119.74 124.03 1n02 s LYS 99 Ca 0.57 -0.73 0.11 0.00 0.02 0.00 0.00 55.97 55.94 1n02 s LYS 99 Cb -0.23 -1.71 -0.14 0.00 -0.52 0.00 0.00 37.83 35.23 1n02 s LYS 99 CO 0.17 0.37 1.20 -0.92 -0.92 0.00 0.00 175.35 175.24 1n02 h TYR 100 N 5.92 0.00 -0.02 3.18 5.03 -1.88 1.29 116.97 130.50 1n02 h TYR 100 Ca -0.35 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.96 1n02 h TYR 100 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.44 1n02 h TYR 100 CO 0.42 0.84 0.00 -1.91 -1.32 0.00 0.00 178.16 176.18