#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n02 n LEU 1 N 0.00 -2.23 0.00 0.99 4.77 -1.26 -4.61 117.00 114.66 1n02 n LEU 1 Ca 0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1n02 n LEU 1 Cb 0.00 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.28 1n02 n LEU 1 CO 0.00 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1n02 n GLY 2 N -1.23 4.29 2.80 -0.72 0.00 -1.19 -4.50 105.19 104.64 1n02 n GLY 2 Ca -0.18 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1n02 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n02 s LYS 3 N -3.27 0.90 -0.16 1.61 -0.14 -1.09 -3.81 119.74 113.77 1n02 s LYS 3 Ca 0.00 -1.02 -0.05 0.00 -1.36 0.00 0.00 55.97 53.53 1n02 s LYS 3 Cb 0.00 -0.39 -0.23 0.00 -1.68 0.00 0.00 37.83 35.53 1n02 s LYS 3 CO 0.00 -1.28 0.19 1.97 -0.76 0.00 0.00 175.35 175.46 1n02 n PHE 4 N 3.52 0.89 0.32 3.18 -1.74 -1.22 -4.15 117.46 118.26 1n02 n PHE 4 Ca 0.17 0.20 0.20 0.00 -0.56 0.00 0.00 57.45 57.46 1n02 n PHE 4 Cb 0.53 -1.11 1.06 0.00 1.52 0.00 0.00 39.48 41.47 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 -0.03 0.14 0.00 1.97 6.09 -1.86 0.36 117.51 124.18 1n02 h ILE 5 Ca -0.47 -0.12 -0.12 0.00 -1.37 0.00 0.00 64.86 62.78 1n02 h ILE 5 Cb 1.95 1.10 -0.02 0.00 0.47 0.00 0.00 36.82 40.33 1n02 h ILE 5 CO 0.01 0.01 -0.59 -0.08 -3.07 0.00 0.00 178.15 174.44 1n02 h GLU 6 N 0.00 0.00 -0.04 2.19 4.81 -1.96 -3.27 114.58 116.31 1n02 h GLU 6 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n02 h GLU 6 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1n02 h GLU 6 CO 0.00 0.59 0.00 0.25 -0.73 0.00 0.00 179.01 179.12 1n02 n THR 7 N -3.37 1.83 -4.11 0.32 -2.24 -0.16 -5.03 114.28 101.51 1n02 n THR 7 Ca 0.01 -2.06 -0.12 0.00 -2.27 0.00 0.00 64.05 59.60 1n02 n THR 7 Cb 0.72 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.46 1.65 -1.19 0.00 1.70 -0.66 -4.73 118.95 113.26 1n02 s ARG 9 Ca -0.01 -1.94 -0.18 0.00 -0.47 0.00 0.00 55.73 53.12 1n02 s ARG 9 Cb -0.04 -0.52 -0.00 0.00 -0.57 0.00 0.00 34.95 33.82 1n02 s ARG 9 CO -0.01 -0.33 0.72 0.27 -1.08 0.00 0.00 175.30 174.87 1n02 n ASN 10 N -0.82 -4.33 -4.73 -2.89 6.94 -1.26 -2.72 115.26 105.45 1n02 n ASN 10 Ca -0.02 -1.04 -0.41 0.00 -0.02 0.00 0.00 54.58 53.09 1n02 n ASN 10 Cb 0.66 -3.19 -0.04 0.00 -2.36 0.00 0.00 39.78 34.85 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 -3.55 4.46 0.19 5.53 -4.23 -1.26 -4.38 115.64 112.40 1n02 s THR 11 Ca 0.39 2.02 -0.20 0.00 -1.18 0.00 0.00 61.69 62.72 1n02 s THR 11 Cb -0.15 -4.29 0.04 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.87 0.30 0.59 0.00 -0.54 0.00 0.00 174.62 175.84 1n02 s GLN 12 N 0.06 1.41 -0.11 3.99 -2.07 -0.94 -4.40 119.66 117.59 1n02 s GLN 12 Ca 0.48 -0.73 -0.11 0.00 -1.82 0.00 0.00 55.36 53.18 1n02 s GLN 12 Cb -0.24 0.56 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 1n02 s GLN 12 CO 0.30 -0.61 0.24 -1.17 -1.32 0.00 0.00 175.29 172.73 1n02 s LEU 13 N -2.83 4.34 0.05 2.60 2.96 -1.26 -1.24 118.68 123.30 1n02 s LEU 13 Ca 0.06 0.56 0.09 0.00 -0.22 0.00 0.00 54.13 54.62 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 0.27 -0.26 0.00 -1.32 0.00 0.00 176.35 174.99 1n02 s ALA 14 N -0.44 2.28 0.00 5.97 0.00 0.35 -4.88 121.76 125.04 1n02 s ALA 14 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.84 1n02 s ALA 14 Cb -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.51 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 1.69 1.00 0.12 0.00 0.00 -1.26 -1.19 105.19 105.55 1n02 n GLY 15 Ca -0.17 -0.67 -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 6.02 0.40 -0.24 1.61 0.02 -1.97 -3.42 113.55 115.98 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 62.03 1n02 h SER 16 CO 0.00 1.56 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.65 1n02 n SER 17 N -3.44 1.22 -4.49 3.07 3.41 -1.25 -4.71 113.62 107.43 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 -2.09 1.93 -0.13 4.33 8.01 -0.33 -0.37 118.70 130.05 1n02 s GLU 18 Ca 0.29 -1.09 0.02 0.00 0.01 0.00 0.00 54.97 54.21 1n02 s GLU 18 Cb 0.35 -2.16 0.01 0.00 -4.31 0.00 0.00 34.13 28.01 1n02 s GLU 18 CO -0.09 0.51 -0.20 -1.17 0.01 0.00 0.00 175.26 174.31 1n02 s LEU 19 N -1.87 1.99 0.04 1.80 2.96 0.12 0.13 118.68 123.85 1n02 s LEU 19 Ca 0.17 -0.55 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 1n02 s LEU 19 Cb -0.11 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 1n02 s LEU 19 CO 0.09 0.06 -0.25 0.00 -1.32 0.00 0.00 176.35 174.92 1n02 s ALA 20 N 0.88 2.13 0.28 5.97 0.00 -0.38 -0.04 121.76 130.60 1n02 s ALA 20 Ca -0.06 -1.21 -0.21 0.00 0.00 0.00 0.00 51.96 50.48 1n02 s ALA 20 Cb -0.15 -0.45 0.04 0.00 0.00 0.00 0.00 23.12 22.55 1n02 s ALA 20 CO -0.02 0.50 0.79 0.00 0.00 0.00 0.00 175.76 177.03 1n02 s ALA 21 N -0.78 -1.20 -0.10 0.00 0.00 0.18 -2.20 121.76 117.65 1n02 s ALA 21 Ca 0.11 -0.34 0.00 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 -0.10 -1.21 0.00 0.00 0.00 175.76 173.44 1n02 s GLU 22 N -3.35 3.08 -0.03 0.00 2.02 -1.10 0.72 118.70 120.03 1n02 s GLU 22 Ca 0.13 -0.61 0.03 0.00 0.02 0.00 0.00 54.97 54.53 1n02 s GLU 22 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1n02 s GLU 22 CO 0.07 0.43 -0.11 0.00 0.02 0.00 0.00 175.26 175.68 1n02 s LYS 24 N 0.22 4.32 0.70 0.00 -2.85 -1.12 -2.51 119.74 118.49 1n02 s LYS 24 Ca -0.04 2.20 -0.08 0.00 -1.00 0.00 0.00 55.97 57.05 1n02 s LYS 24 Cb -0.10 -3.14 0.15 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.01 -0.34 0.95 0.25 0.10 0.00 0.00 175.35 176.32 1n02 n THR 25 N 2.33 0.00 0.22 3.79 -2.24 0.28 -3.99 114.28 114.67 1n02 n THR 25 Ca 0.06 -0.96 0.07 0.00 -2.27 0.00 0.00 64.05 60.96 1n02 n THR 25 Cb 0.41 -1.37 0.59 0.00 -2.10 0.00 0.00 70.33 67.86 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 0.08 -0.14 -0.78 3.08 -1.88 -1.44 114.38 113.31 1n02 h ARG 26 Ca -0.31 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1n02 h ARG 26 Cb 0.95 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1n02 h ARG 26 CO 0.26 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.23 1n02 n ALA 27 N -2.53 2.49 -2.86 0.04 0.00 -1.26 -4.87 120.51 111.52 1n02 n ALA 27 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 53.44 53.06 1n02 n ALA 27 Cb 0.10 -0.99 0.03 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 -0.16 -3.75 -4.98 0.00 6.02 -0.54 -5.02 117.38 108.96 1n02 n GLN 28 Ca 0.04 0.61 -0.32 0.00 -0.01 0.00 0.00 57.00 57.32 1n02 n GLN 28 Cb 0.11 -4.88 -0.14 0.00 1.02 0.00 0.00 30.24 26.35 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 -5.43 2.71 -0.20 -1.09 -0.21 -1.26 -4.86 119.66 109.32 1n02 s GLN 29 Ca 0.24 -0.76 -0.16 0.00 0.02 0.00 0.00 55.36 54.70 1n02 s GLN 29 Cb -0.11 -2.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 1n02 s GLN 29 CO 0.30 0.46 0.42 -0.06 -2.12 0.00 0.00 175.29 174.28 1n02 s PHE 30 N -0.31 3.37 0.06 0.91 0.08 -1.26 0.10 117.98 120.93 1n02 s PHE 30 Ca 0.02 0.64 0.05 0.00 0.12 0.00 0.00 56.93 57.75 1n02 s PHE 30 Cb -0.13 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.75 1n02 s PHE 30 CO 0.02 -0.02 -0.13 0.14 -0.10 0.00 0.00 175.22 175.13 1n02 s VAL 31 N 1.36 1.00 0.24 -0.44 -7.23 -1.05 -4.93 120.40 109.36 1n02 s VAL 31 Ca 0.20 -1.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.92 1n02 s VAL 31 Cb -0.15 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 1n02 s VAL 31 CO 0.08 -0.17 1.27 -0.44 -0.31 0.00 0.00 175.10 175.53 1n02 s SER 32 N -1.50 6.93 0.09 4.85 0.01 -1.26 -0.84 113.70 121.98 1n02 s SER 32 Ca -0.02 2.44 -0.05 0.00 1.31 0.00 0.00 55.95 59.63 1n02 s SER 32 Cb -0.09 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 1n02 s SER 32 CO 0.02 -0.46 0.10 0.28 0.41 0.00 0.00 173.24 173.58 1n02 s THR 33 N -0.38 0.15 0.05 1.44 -1.32 0.22 -4.89 115.64 110.91 1n02 s THR 33 Ca 0.53 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 59.40 1n02 s THR 33 Cb -0.36 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1n02 s THR 33 CO 0.42 -0.70 0.07 -0.75 -2.21 0.00 0.00 174.62 171.45 1n02 s LYS 34 N -3.93 0.62 -0.04 7.08 2.20 -1.26 -0.65 119.74 123.76 1n02 s LYS 34 Ca 0.11 -0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1n02 s LYS 34 Cb 0.06 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.65 1n02 s LYS 34 CO -0.07 -0.15 0.02 -1.50 -0.36 0.00 0.00 175.35 173.29 1n02 s ILE 35 N -3.12 0.13 -0.28 5.43 1.10 0.94 -4.39 121.20 121.01 1n02 s ILE 35 Ca -0.01 0.17 -0.21 0.00 -0.51 0.00 0.00 60.65 60.10 1n02 s ILE 35 Cb 0.02 -0.27 -0.01 0.00 0.15 0.00 0.00 42.46 42.35 1n02 s ILE 35 CO -0.07 0.16 0.66 0.21 -2.11 0.00 0.00 174.94 173.79 1n02 s ASN 36 N 1.41 6.57 0.12 4.50 3.84 -1.26 -0.70 114.94 129.41 1n02 s ASN 36 Ca -0.04 0.62 0.24 0.00 0.21 0.00 0.00 52.86 53.89 1n02 s ASN 36 Cb -0.13 -2.35 0.38 0.00 -0.55 0.00 0.00 41.25 38.60 1n02 s ASN 36 CO -0.03 -0.44 1.35 0.18 -2.79 0.00 0.00 177.10 175.37 1n02 n LEU 37 N 5.84 0.69 -0.21 3.21 4.32 0.50 -3.76 117.00 127.60 1n02 n LEU 37 Ca 0.00 0.24 -0.03 0.00 -0.02 0.00 0.00 56.01 56.20 1n02 n LEU 37 Cb 0.49 -0.19 0.07 0.00 -1.62 0.00 0.00 43.42 42.17 1n02 n LEU 37 CO 0.45 -0.05 1.09 -2.24 -1.22 0.00 0.00 177.39 175.41 1n02 h ASP 38 N 0.00 0.55 0.41 -1.43 2.03 -1.39 0.90 116.42 117.48 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 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1n02 h ASP 38 CO 0.00 0.37 -0.69 -0.90 -1.03 0.00 0.00 179.24 176.99 1n02 n ASP 39 N -4.78 0.63 -0.03 4.15 5.68 -1.26 -1.20 116.55 119.75 1n02 n ASP 39 Ca 0.07 -0.38 -0.03 0.00 -0.50 0.00 0.00 54.79 53.95 1n02 n ASP 39 Cb 0.13 0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.60 0.12 -2.84 2.11 8.25 -0.91 -3.73 115.22 116.62 1n02 n HIS 40 Ca 0.05 0.05 -0.33 0.00 -0.26 0.00 0.00 57.72 57.23 1n02 n HIS 40 Cb 0.35 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.62 4.46 0.23 1.59 1.09 0.31 -0.78 121.20 126.48 1n02 s ILE 41 Ca -0.09 1.36 -0.00 0.00 -1.10 0.00 0.00 60.65 60.82 1n02 s ILE 41 Cb 0.01 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 1n02 s ILE 41 CO 0.13 -0.33 0.20 0.00 -0.10 0.00 0.00 174.94 174.83 1n02 s ALA 42 N -2.19 1.20 -0.30 9.38 0.00 0.29 -3.80 121.76 126.35 1n02 s ALA 42 Ca 0.60 -1.71 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1n02 s ALA 42 Cb -0.09 1.38 0.04 0.00 0.00 0.00 0.00 23.12 24.44 1n02 s ALA 42 CO 0.16 -0.63 0.02 1.21 0.00 0.00 0.00 175.76 176.52 1n02 s ASN 43 N -3.20 4.92 -0.66 0.00 2.47 -1.26 -1.38 114.94 115.83 1n02 s ASN 43 Ca 0.38 -1.09 -0.04 0.00 0.42 0.00 0.00 52.86 52.52 1n02 s ASN 43 Cb 0.05 -1.76 0.17 0.00 -1.45 0.00 0.00 41.25 38.26 1n02 s ASN 43 CO 0.15 -0.24 0.49 -0.63 -3.72 0.00 0.00 177.10 173.15 1n02 s ILE 44 N 1.33 3.97 -0.92 -5.21 -1.09 0.12 -4.65 121.20 114.76 1n02 s ILE 44 Ca -0.02 -2.92 -0.05 0.00 -2.23 0.00 0.00 60.65 55.43 1n02 s ILE 44 Cb -0.19 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1n02 s ILE 44 CO -0.00 -0.90 0.70 -0.67 -1.23 0.00 0.00 174.94 172.83 1n02 n ASP 45 N 3.53 -4.82 0.00 3.58 -0.08 -1.26 -2.42 116.55 115.08 1n02 n ASP 45 Ca 0.09 -0.32 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1n02 n ASP 45 Cb 0.39 -3.46 0.00 0.00 2.34 0.00 0.00 41.12 40.39 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 -1.44 0.74 3.38 0.27 0.00 -1.15 -4.32 105.19 102.66 1n02 n GLY 46 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.78 2.74 -0.22 2.61 2.01 -1.02 -4.55 115.64 114.42 1n02 s THR 47 Ca 0.00 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 1n02 s THR 47 Cb 0.00 -2.08 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1n02 s THR 47 CO 0.00 0.56 1.18 -0.76 -0.69 0.00 0.00 174.62 174.91 1n02 s LEU 48 N -0.20 4.08 0.12 4.42 1.43 -1.26 0.16 118.68 127.42 1n02 s LEU 48 Ca -0.01 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 1n02 s LEU 48 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.03 -0.79 0.00 -0.54 0.23 0.00 0.00 176.35 175.28 1n02 s LYS 49 N 3.52 0.88 -0.23 1.70 1.02 -0.48 -4.90 119.74 121.26 1n02 s LYS 49 Ca 0.50 -1.39 -0.23 0.00 0.02 0.00 0.00 55.97 54.87 1n02 s LYS 49 Cb -0.18 0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1n02 s LYS 49 CO 0.13 -0.15 0.75 -1.58 -0.92 0.00 0.00 175.35 173.58 1n02 s TRP 50 N -3.85 3.33 -0.28 3.18 0.51 -1.26 0.11 118.94 120.68 1n02 s TRP 50 Ca 0.18 1.04 -0.26 0.00 -2.12 0.00 0.00 56.10 54.93 1n02 s TRP 50 Cb 0.07 -2.95 0.17 0.00 -0.81 0.00 0.00 33.47 29.95 1n02 s TRP 50 CO -0.02 -0.32 1.27 -1.14 -0.51 0.00 0.00 176.95 176.24 1n02 s GLN 51 N 2.51 0.23 -0.22 4.98 0.74 0.04 -4.86 119.66 123.08 1n02 s GLN 51 Ca 0.32 0.20 -0.24 0.00 0.05 0.00 0.00 55.36 55.69 1n02 s GLN 51 Cb -0.16 0.11 -0.27 0.00 1.10 0.00 0.00 33.01 33.80 1n02 s GLN 51 CO 0.09 -0.04 1.62 -0.35 -0.55 0.00 0.00 175.29 176.06 1n02 n PRO 52 N 1.44 0.45 -3.65 1.67 -0.04 -1.24 -3.83 135.00 129.79 1n02 n PRO 52 Ca -0.09 -1.16 -0.09 0.00 -0.04 0.00 0.00 63.50 62.13 1n02 n PRO 52 Cb 0.57 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.42 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 6.13 -0.86 -0.48 3.54 1.04 -1.25 -4.99 113.70 116.82 1n02 s SER 53 Ca 0.57 1.43 -0.28 0.00 0.48 0.00 0.00 55.95 58.14 1n02 s SER 53 Cb 0.13 1.33 0.03 0.00 0.10 0.00 0.00 66.02 67.61 1n02 s SER 53 CO 0.24 -0.23 1.11 0.20 0.98 0.00 0.00 173.24 175.53 1n02 s ASN 54 N 1.39 6.61 0.53 7.02 0.01 -0.34 -3.20 114.94 126.97 1n02 s ASN 54 Ca -0.08 0.41 0.36 0.00 -0.71 0.00 0.00 52.86 52.83 1n02 s ASN 54 Cb -0.05 -2.54 1.53 0.00 0.41 0.00 0.00 41.25 40.60 1n02 s ASN 54 CO -0.16 -1.23 1.80 2.19 -1.51 0.00 0.00 177.10 178.19 1n02 h PHE 55 N 9.22 0.05 0.00 2.20 -0.00 -1.78 -0.34 116.94 126.29 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 0.97 0.00 0.48 0.66 -0.00 0.00 0.00 178.31 180.42 1n02 h SER 56 N 0.03 0.00 0.08 -0.68 4.64 -1.88 0.39 113.55 116.12 1n02 h SER 56 Ca 0.57 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.88 1n02 h SER 56 Cb 2.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.33 1n02 h SER 56 CO -0.03 0.00 -0.07 1.56 -0.87 0.00 0.00 176.83 177.42 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.46 -3.12 115.11 116.38 1n02 h GLN 57 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1n02 h GLN 57 Cb 0.96 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1n02 h GLN 57 CO 0.00 0.07 0.00 0.25 -0.95 0.00 0.00 178.83 178.20 1n02 n THR 58 N -4.37 0.02 -4.34 -0.54 -2.24 0.02 -5.06 114.28 97.76 1n02 n THR 58 Ca -0.03 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 1n02 n THR 58 Cb 0.15 1.38 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 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 0.35 -1.02 0.00 1.13 0.14 -4.56 117.35 112.26 1n02 s TYR 60 Ca 0.19 -0.79 -0.04 0.00 -1.41 0.00 0.00 57.07 55.03 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 0.11 -0.38 0.88 0.09 -2.51 0.00 0.00 175.55 173.74 1n02 n ASN 61 N 0.42 -3.82 -4.76 -0.18 4.13 -1.26 -2.81 115.26 106.97 1n02 n ASN 61 Ca -0.17 -0.46 -0.41 0.00 1.68 0.00 0.00 54.58 55.22 1n02 n ASN 61 Cb 0.60 -4.16 -0.03 0.00 -1.54 0.00 0.00 39.78 34.65 1n02 n ASN 61 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1n02 s SER 62 N -3.66 6.91 0.03 6.41 0.01 -1.26 -4.27 113.70 117.86 1n02 s SER 62 Ca 0.24 2.52 -0.08 0.00 1.31 0.00 0.00 55.95 59.94 1n02 s SER 62 Cb -0.11 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.49 1n02 s SER 62 CO 0.58 -0.46 0.15 0.00 0.41 0.00 0.00 173.24 173.93 1n02 s ALA 63 N -0.74 -0.27 -0.01 1.44 0.00 0.33 -4.95 121.76 117.56 1n02 s ALA 63 Ca 0.51 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1n02 s ALA 63 Cb -0.37 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1n02 s ALA 63 CO 0.46 -0.30 -0.13 0.42 0.00 0.00 0.00 175.76 176.21 1n02 s ILE 64 N -2.19 1.07 -0.22 0.00 1.01 -1.26 0.11 121.20 119.72 1n02 s ILE 64 Ca -0.08 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1n02 s ILE 64 Cb -0.03 -0.90 0.07 0.00 0.01 0.00 0.00 42.46 41.61 1n02 s ILE 64 CO -0.02 0.30 0.04 -1.10 0.00 0.00 0.00 174.94 174.16 1n02 s GLN 65 N -0.26 0.75 7.95 2.79 -1.52 -0.39 -4.55 119.66 124.43 1n02 s GLN 65 Ca 0.04 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 52.85 1n02 s GLN 65 Cb -0.06 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.62 1n02 s GLN 65 CO -0.00 -0.71 0.00 0.41 -0.25 0.00 0.00 175.29 174.74 1n02 n GLY 66 N 4.98 3.47 0.57 3.09 0.00 -1.26 -2.08 105.19 113.96 1n02 n GLY 66 Ca -0.08 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 9.06 2.14 -4.80 1.61 3.41 -1.26 -4.69 113.62 119.09 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 0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.23 -3.33 1.01 -0.88 -1.81 120.40 118.24 1n02 s VAL 68 Ca 0.19 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 1n02 s VAL 68 Cb 0.16 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1n02 s VAL 68 CO 0.41 0.60 0.14 -0.22 0.00 0.00 0.00 175.10 176.03 1n02 s LEU 69 N -0.83 4.09 -0.16 3.92 2.96 -0.02 -1.26 118.68 127.38 1n02 s LEU 69 Ca 0.13 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1n02 s LEU 69 Cb -0.12 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.49 1n02 s LEU 69 CO 0.03 0.09 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.10 1n02 s THR 70 N 0.89 2.58 0.03 3.68 2.01 0.29 -2.48 115.64 122.64 1n02 s THR 70 Ca 0.07 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1n02 s THR 70 Cb -0.13 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.32 1n02 s THR 70 CO 0.03 0.52 0.39 -0.55 -0.69 0.00 0.00 174.62 174.31 1n02 s SER 71 N 0.91 -0.26 -0.19 3.53 0.15 -1.18 0.12 113.70 116.79 1n02 s SER 71 Ca -0.04 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.46 1n02 s SER 71 Cb -0.15 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1n02 s SER 71 CO -0.02 -0.62 0.43 -0.89 1.20 0.00 0.00 173.24 173.34 1n02 s THR 72 N -2.26 5.18 0.03 6.45 2.01 -1.12 -1.66 115.64 124.26 1n02 s THR 72 Ca -0.07 0.80 0.07 0.00 0.31 0.00 0.00 61.69 62.80 1n02 s THR 72 Cb -0.01 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 1n02 s THR 72 CO -0.01 0.25 -0.20 0.00 -0.69 0.00 0.00 174.62 173.97 1n02 s GLU 74 N -1.03 4.56 0.07 0.00 2.12 0.83 0.99 118.70 126.24 1n02 s GLU 74 Ca 0.07 1.79 -0.14 0.00 0.36 0.00 0.00 54.97 57.04 1n02 s GLU 74 Cb -0.09 -3.25 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 1n02 s GLU 74 CO 0.01 0.04 0.48 1.03 -0.54 0.00 0.00 175.26 176.28 1n02 s ARG 75 N -0.48 3.95 0.57 4.30 0.52 -1.01 -2.95 118.95 123.87 1n02 s ARG 75 Ca 0.50 0.45 0.29 0.00 -0.52 0.00 0.00 55.73 56.45 1n02 s ARG 75 Cb -0.31 -3.09 1.46 0.00 0.52 0.00 0.00 34.95 33.53 1n02 s ARG 75 CO 0.36 0.59 1.89 1.15 0.02 0.00 0.00 175.30 179.31 1n02 h THR 76 N 3.23 0.42 -0.03 0.02 2.02 -1.92 0.84 112.91 117.48 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 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 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 0.51 0.00 4.18 5.15 -1.26 -4.99 115.26 114.98 1n02 n ASN 77 Ca 0.11 -1.37 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 1n02 n ASN 77 Cb 0.75 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 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 0.96 -0.36 0.00 8.20 0.00 0.29 -5.12 105.19 109.16 1n02 n GLY 78 Ca 0.18 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.95 -0.23 3.08 -0.02 0.00 -1.26 -4.68 105.19 103.02 1n02 n GLY 79 Ca 0.00 -2.25 -0.19 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 0.99 -0.20 1.61 2.02 -1.26 -2.39 117.35 118.12 1n02 s TYR 80 Ca 0.00 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1n02 s TYR 80 Cb 0.00 -0.61 0.06 0.00 -0.40 0.00 0.00 41.96 41.01 1n02 s TYR 80 CO 0.00 -0.00 0.49 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.71 -0.64 -0.04 2.29 2.47 0.28 -4.90 114.94 113.68 1n02 s ASN 81 Ca 0.02 1.07 -0.17 0.00 0.42 0.00 0.00 52.86 54.19 1n02 s ASN 81 Cb -0.06 0.95 -0.05 0.00 -1.45 0.00 0.00 41.25 40.64 1n02 s ASN 81 CO 0.00 -0.21 0.47 0.28 -3.72 0.00 0.00 177.10 173.93 1n02 s THR 82 N 1.46 5.05 0.21 -5.21 -1.32 -1.26 0.89 115.64 115.46 1n02 s THR 82 Ca -0.10 0.96 0.09 0.00 -1.21 0.00 0.00 61.69 61.44 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 0.46 -0.17 -0.94 -2.21 0.00 0.00 174.62 171.60 1n02 s SER 83 N -0.28 2.88 0.04 8.08 1.04 -0.66 -4.92 113.70 119.88 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 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.74 1n02 s SER 83 CO 0.13 -0.06 -0.23 -0.44 0.98 0.00 0.00 173.24 173.62 1n02 s SER 84 N -3.10 2.75 -0.05 7.02 0.01 -1.26 -3.09 113.70 115.98 1n02 s SER 84 Ca 0.22 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.87 1n02 s SER 84 Cb -0.04 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.96 1n02 s SER 84 CO 0.09 0.20 0.16 -0.51 0.41 0.00 0.00 173.24 173.59 1n02 s ILE 85 N -0.79 0.02 -0.31 1.44 2.07 -1.04 -4.91 121.20 117.69 1n02 s ILE 85 Ca 0.09 -0.18 -0.14 0.00 -1.41 0.00 0.00 60.65 59.01 1n02 s ILE 85 Cb -0.09 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 1n02 s ILE 85 CO 0.02 -0.10 0.31 -0.62 -1.91 0.00 0.00 174.94 172.64 1n02 s ASP 86 N -0.29 6.15 0.00 4.50 2.15 -1.26 -0.84 116.67 127.08 1n02 s ASP 86 Ca -0.04 -0.04 0.23 0.00 0.43 0.00 0.00 52.55 53.13 1n02 s ASP 86 Cb -0.03 -2.18 0.09 0.00 -0.30 0.00 0.00 42.92 40.50 1n02 s ASP 86 CO 0.01 -0.22 1.15 0.18 -0.17 0.00 0.00 175.17 176.12 1n02 n LEU 87 N 5.27 1.82 -0.30 -1.34 4.77 -0.75 -4.47 117.00 122.00 1n02 n LEU 87 Ca -0.10 -0.67 0.35 0.00 -0.03 0.00 0.00 56.01 55.55 1n02 n LEU 87 Cb 0.50 -0.02 0.69 0.00 -2.33 0.00 0.00 43.42 42.26 1n02 n LEU 87 CO 0.37 0.34 1.32 -1.13 -1.33 0.00 0.00 177.39 176.96 1n02 h ASN 88 N 2.11 0.00 0.24 -1.43 -0.00 -1.87 0.25 115.58 114.89 1n02 h ASN 88 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 55.97 1n02 h ASN 88 Cb 0.71 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.06 1n02 h ASN 88 CO 0.00 0.00 -1.47 0.28 -0.00 0.00 0.00 177.43 176.24 1n02 h SER 89 N 0.00 0.80 0.10 1.15 0.02 -1.78 -2.90 113.55 110.94 1n02 h SER 89 Ca 0.56 -0.92 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1n02 h SER 89 Cb 2.53 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.81 1n02 h SER 89 CO -0.01 1.70 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.97 1n02 h VAL 90 N 0.10 1.05 -3.95 2.27 -1.51 -0.66 -3.14 116.25 110.42 1n02 h VAL 90 Ca -0.26 -1.30 -0.46 0.00 -1.23 0.00 0.00 66.70 63.45 1n02 h VAL 90 Cb 2.13 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 33.06 1n02 h VAL 90 CO 0.26 0.28 0.31 -0.63 -1.23 0.00 0.00 177.57 176.55 1n02 s ILE 91 N -3.35 4.37 0.14 7.19 1.09 -0.75 0.12 121.20 130.00 1n02 s ILE 91 Ca -0.14 1.53 0.00 0.00 -1.10 0.00 0.00 60.65 60.95 1n02 s ILE 91 Cb 0.00 -3.74 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 1n02 s ILE 91 CO 0.53 -0.14 0.03 -0.70 -0.10 0.00 0.00 174.94 174.56 1n02 s GLU 92 N -2.75 0.97 -0.48 2.79 2.12 0.43 -3.42 118.70 118.36 1n02 s GLU 92 Ca 0.57 -1.46 -0.10 0.00 0.36 0.00 0.00 54.97 54.34 1n02 s GLU 92 Cb -0.12 0.05 0.12 0.00 0.26 0.00 0.00 34.13 34.44 1n02 s GLU 92 CO 0.17 -0.20 0.36 1.21 -0.54 0.00 0.00 175.26 176.26 1n02 s ASN 93 N -3.09 5.74 -0.63 -1.70 2.47 -1.26 -0.27 114.94 116.21 1n02 s ASN 93 Ca 0.23 -1.94 -0.16 0.00 0.42 0.00 0.00 52.86 51.41 1n02 s ASN 93 Cb 0.07 -2.02 0.15 0.00 -1.45 0.00 0.00 41.25 38.00 1n02 s ASN 93 CO 0.02 -0.70 0.62 -0.69 -3.72 0.00 0.00 177.10 172.63 1n02 s VAL 94 N 1.33 5.25 -1.31 -5.21 1.01 0.78 -4.50 120.40 117.75 1n02 s VAL 94 Ca 0.06 -1.69 -0.02 0.00 0.00 0.00 0.00 61.98 60.33 1n02 s VAL 94 Cb -0.26 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.73 1n02 s VAL 94 CO -0.01 -0.97 0.18 -0.67 0.00 0.00 0.00 175.10 173.64 1n02 n ASP 95 N 5.10 -4.57 0.00 3.32 2.03 -1.26 -1.85 116.55 119.32 1n02 n ASP 95 Ca -0.05 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1n02 n ASP 95 Cb 0.42 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.01 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 -1.02 1.39 2.84 0.27 0.00 -1.26 -4.64 105.19 102.78 1n02 n GLY 96 Ca -0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.29 0.06 -0.17 1.61 0.01 -0.77 -4.55 113.70 107.60 1n02 s SER 97 Ca 0.00 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 1n02 s SER 97 Cb 0.00 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 1n02 s SER 97 CO 0.00 -0.04 1.33 -0.76 0.41 0.00 0.00 173.24 174.18 1n02 s LEU 98 N 0.39 4.16 -0.03 2.44 1.43 -1.25 -0.16 118.68 125.66 1n02 s LEU 98 Ca -0.03 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.83 1n02 s LEU 98 Cb -0.05 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 1n02 s LEU 98 CO -0.01 -0.83 -0.18 -0.54 0.23 0.00 0.00 176.35 175.02 1n02 s LYS 99 N 3.67 1.66 0.42 1.70 -0.14 0.63 -4.80 119.74 122.88 1n02 s LYS 99 Ca 0.58 -0.63 -0.22 0.00 -1.36 0.00 0.00 55.97 54.34 1n02 s LYS 99 Cb -0.23 -1.50 -0.10 0.00 -1.68 0.00 0.00 37.83 34.32 1n02 s LYS 99 CO 0.18 0.30 0.98 -0.47 -0.76 0.00 0.00 175.35 175.58 1n02 s TYR 100 N -0.14 3.29 0.00 3.18 6.14 -1.25 0.16 117.35 128.72 1n02 s TYR 100 Ca 0.00 1.63 0.00 0.00 0.64 0.00 0.00 57.07 59.34 1n02 s TYR 100 Cb -0.10 -2.94 0.00 0.00 0.42 0.00 0.00 41.96 39.35 1n02 s TYR 100 CO 0.01 -0.28 0.00 -1.91 0.64 0.00 0.00 175.55 174.01