#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 0.00 -4.67 0.99 -0.00 -1.26 -5.11 117.00 106.95 1n02 n LEU 1 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.66 1n02 n LEU 1 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 43.51 1n02 n LEU 1 CO 0.00 0.00 0.71 0.61 -0.00 0.00 0.00 177.39 178.71 1n02 n GLY 2 N -0.80 -0.03 3.01 1.47 0.00 -0.49 -4.97 105.19 103.39 1n02 n GLY 2 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.58 0.76 -0.23 1.61 1.02 -1.02 -3.52 119.74 114.78 1n02 s LYS 3 Ca 0.76 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 56.22 1n02 s LYS 3 Cb -0.34 -0.25 -0.19 0.00 -0.52 0.00 0.00 37.83 36.54 1n02 s LYS 3 CO 0.48 -1.20 -0.10 1.97 -0.92 0.00 0.00 175.35 175.57 1n02 n PHE 4 N 4.28 0.20 0.31 3.18 -1.74 -1.17 -4.30 117.46 118.21 1n02 n PHE 4 Ca 0.12 0.04 0.20 0.00 -0.56 0.00 0.00 57.45 57.25 1n02 n PHE 4 Cb 0.52 -1.03 1.00 0.00 1.52 0.00 0.00 39.48 41.50 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 0.01 0.00 0.00 1.97 6.09 -1.85 0.62 117.51 124.36 1n02 h ILE 5 Ca -0.55 -0.12 -0.09 0.00 -1.37 0.00 0.00 64.86 62.73 1n02 h ILE 5 Cb 1.95 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 40.27 1n02 h ILE 5 CO -0.05 0.00 -0.41 -0.08 -3.07 0.00 0.00 178.15 174.54 1n02 h GLU 6 N 0.00 0.00 -0.00 2.19 4.81 -1.96 -3.25 114.58 116.37 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 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1n02 h GLU 6 CO 0.00 0.41 -0.01 0.25 -0.73 0.00 0.00 179.01 178.93 1n02 n THR 7 N -3.43 0.00 -4.16 0.32 -2.24 -0.40 -5.03 114.28 99.34 1n02 n THR 7 Ca 0.00 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.00 1n02 n THR 7 Cb 0.57 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.50 1.61 -1.18 0.00 1.70 -0.36 -4.72 118.95 113.51 1n02 s ARG 9 Ca 0.26 -1.91 -0.20 0.00 -0.47 0.00 0.00 55.73 53.41 1n02 s ARG 9 Cb -0.11 -0.47 -0.00 0.00 -0.57 0.00 0.00 34.95 33.80 1n02 s ARG 9 CO 0.18 -0.33 0.74 0.27 -1.08 0.00 0.00 175.30 175.09 1n02 n ASN 10 N -0.77 -4.63 -4.73 -2.89 6.94 -1.26 -2.56 115.26 105.37 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 -3.19 -0.04 0.00 -2.36 0.00 0.00 39.78 34.84 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 -3.53 4.45 0.19 5.53 -4.23 -1.26 -4.35 115.64 112.44 1n02 s THR 11 Ca 0.42 1.99 -0.19 0.00 -1.18 0.00 0.00 61.69 62.73 1n02 s THR 11 Cb -0.16 -4.27 0.04 0.00 1.34 0.00 0.00 72.50 69.45 1n02 s THR 11 CO 0.87 0.29 0.56 0.00 -0.54 0.00 0.00 174.62 175.80 1n02 s GLN 12 N 0.11 1.38 -0.12 3.99 -2.07 -0.95 -4.42 119.66 117.58 1n02 s GLN 12 Ca 0.48 -0.76 -0.11 0.00 -1.82 0.00 0.00 55.36 53.16 1n02 s GLN 12 Cb -0.24 0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1n02 s GLN 12 CO 0.30 -0.59 0.23 -1.17 -1.32 0.00 0.00 175.29 172.74 1n02 s LEU 13 N -2.84 4.33 0.04 2.60 2.96 -1.26 -1.30 118.68 123.21 1n02 s LEU 13 Ca 0.07 0.53 0.08 0.00 -0.22 0.00 0.00 54.13 54.59 1n02 s LEU 13 Cb -0.01 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1n02 s LEU 13 CO -0.05 0.27 -0.23 0.00 -1.32 0.00 0.00 176.35 175.01 1n02 s ALA 14 N -0.37 2.37 0.00 5.97 0.00 0.38 -4.87 121.76 125.24 1n02 s ALA 14 Ca 0.16 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1n02 s ALA 14 Cb -0.13 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1n02 s ALA 14 CO 0.05 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1n02 n GLY 15 N 1.76 1.01 0.12 0.00 0.00 -1.26 -1.07 105.19 105.75 1n02 n GLY 15 Ca -0.17 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 6.68 0.37 -0.20 1.61 0.02 -1.97 -3.42 113.55 116.65 1n02 h SER 16 Ca 0.00 -0.63 -0.21 0.00 -0.84 0.00 0.00 61.79 60.11 1n02 h SER 16 Cb 0.00 -0.12 -0.39 0.00 0.14 0.00 0.00 62.40 62.03 1n02 h SER 16 CO 0.00 1.54 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.64 1n02 n SER 17 N -3.42 1.19 -4.50 3.07 3.41 -1.25 -4.68 113.62 107.43 1n02 n SER 17 Ca -0.22 -2.01 -0.30 0.00 -0.26 0.00 0.00 58.87 56.08 1n02 n SER 17 Cb 1.05 -0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.78 1.95 -0.14 4.33 8.01 -0.23 -0.32 118.70 130.52 1n02 s GLU 18 Ca 0.30 -1.08 0.02 0.00 0.01 0.00 0.00 54.97 54.21 1n02 s GLU 18 Cb 0.35 -2.18 0.01 0.00 -4.31 0.00 0.00 34.13 28.00 1n02 s GLU 18 CO -0.11 0.51 -0.18 -1.17 0.01 0.00 0.00 175.26 174.32 1n02 s LEU 19 N -1.95 1.93 0.04 1.80 2.96 0.06 0.15 118.68 123.66 1n02 s LEU 19 Ca 0.18 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1n02 s LEU 19 Cb -0.11 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1n02 s LEU 19 CO 0.10 0.03 -0.26 0.00 -1.32 0.00 0.00 176.35 174.89 1n02 s ALA 20 N 1.03 2.24 0.28 5.97 0.00 -0.42 0.14 121.76 131.00 1n02 s ALA 20 Ca -0.04 -1.26 -0.21 0.00 0.00 0.00 0.00 51.96 50.46 1n02 s ALA 20 Cb -0.15 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1n02 s ALA 20 CO -0.05 0.53 0.80 0.00 0.00 0.00 0.00 175.76 177.04 1n02 s ALA 21 N -0.79 -1.20 -0.11 0.00 0.00 0.48 -2.24 121.76 117.90 1n02 s ALA 21 Ca 0.12 -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 -0.11 -1.21 0.00 0.00 0.00 175.76 173.43 1n02 s GLU 22 N -3.34 3.16 -0.04 0.00 2.02 -1.06 0.75 118.70 120.20 1n02 s GLU 22 Ca 0.13 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.51 1n02 s GLU 22 Cb -0.05 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.56 1n02 s GLU 22 CO 0.07 0.37 -0.11 0.00 0.02 0.00 0.00 175.26 175.62 1n02 s LYS 24 N 0.37 4.30 0.61 0.00 -2.85 -1.17 -2.73 119.74 118.28 1n02 s LYS 24 Ca -0.07 2.26 -0.06 0.00 -1.00 0.00 0.00 55.97 57.10 1n02 s LYS 24 Cb -0.12 -3.10 0.13 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.02 -0.33 0.83 0.25 0.10 0.00 0.00 175.35 176.22 1n02 n THR 25 N 1.73 0.00 0.25 3.79 -2.24 0.19 -3.94 114.28 114.06 1n02 n THR 25 Ca 0.04 -0.90 0.07 0.00 -2.27 0.00 0.00 64.05 60.99 1n02 n THR 25 Cb 0.41 -1.36 0.60 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.69 114.38 113.05 1n02 h ARG 26 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1n02 h ARG 26 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1n02 h ARG 26 CO 0.23 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.21 1n02 n ALA 27 N -2.51 2.52 -3.07 0.04 0.00 -1.26 -4.87 120.51 111.36 1n02 n ALA 27 Ca -0.03 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1n02 n ALA 27 Cb 0.15 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.58 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 -4.67 -5.17 0.00 6.02 -0.63 -5.02 117.38 107.55 1n02 n GLN 28 Ca 0.06 0.60 -0.32 0.00 -0.01 0.00 0.00 57.00 57.33 1n02 n GLN 28 Cb 0.08 -4.86 -0.16 0.00 1.02 0.00 0.00 30.24 26.32 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 -5.68 2.59 -0.20 -1.09 -0.21 -1.26 -4.88 119.66 108.93 1n02 s GLN 29 Ca 0.33 -0.86 -0.17 0.00 0.02 0.00 0.00 55.36 54.68 1n02 s GLN 29 Cb -0.14 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1n02 s GLN 29 CO 0.41 0.41 0.47 -0.06 -2.12 0.00 0.00 175.29 174.40 1n02 s PHE 30 N -0.23 3.37 0.08 0.91 0.40 -1.26 0.58 117.98 121.83 1n02 s PHE 30 Ca -0.01 0.70 0.05 0.00 -0.60 0.00 0.00 56.93 57.07 1n02 s PHE 30 Cb -0.13 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 1n02 s PHE 30 CO 0.03 -0.07 -0.14 0.14 0.70 0.00 0.00 175.22 175.88 1n02 s VAL 31 N 1.51 1.17 0.22 -0.44 -7.23 -1.10 -4.93 120.40 109.59 1n02 s VAL 31 Ca 0.22 -1.42 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1n02 s VAL 31 Cb -0.15 -1.21 -0.09 0.00 0.56 0.00 0.00 36.38 35.50 1n02 s VAL 31 CO 0.09 -0.28 1.19 -0.55 -0.31 0.00 0.00 175.10 175.24 1n02 s SER 32 N -1.94 7.09 0.10 4.85 0.15 -1.26 -0.76 113.70 121.94 1n02 s SER 32 Ca 0.01 2.29 -0.07 0.00 0.70 0.00 0.00 55.95 58.88 1n02 s SER 32 Cb -0.08 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.60 1n02 s SER 32 CO 0.02 -0.34 0.16 0.28 1.20 0.00 0.00 173.24 174.56 1n02 s THR 33 N -0.37 0.14 0.05 6.45 -1.32 0.23 -4.89 115.64 115.93 1n02 s THR 33 Ca 0.51 -1.41 -0.05 0.00 -1.21 0.00 0.00 61.69 59.53 1n02 s THR 33 Cb -0.33 -1.56 -0.02 0.00 -1.51 0.00 0.00 72.50 69.08 1n02 s THR 33 CO 0.39 -0.62 0.07 -0.75 -2.21 0.00 0.00 174.62 171.50 1n02 s LYS 34 N -3.91 0.63 -0.05 7.08 2.20 -1.26 -0.38 119.74 124.05 1n02 s LYS 34 Ca 0.10 -0.93 -0.00 0.00 -0.36 0.00 0.00 55.97 54.78 1n02 s LYS 34 Cb 0.05 0.24 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1n02 s LYS 34 CO -0.07 -0.16 -0.00 -1.50 -0.36 0.00 0.00 175.35 173.26 1n02 s ILE 35 N -3.20 0.27 -0.26 5.43 1.10 0.12 -4.33 121.20 120.33 1n02 s ILE 35 Ca 0.00 0.10 -0.22 0.00 -0.51 0.00 0.00 60.65 60.03 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 0.20 0.69 0.21 -2.11 0.00 0.00 174.94 173.86 1n02 s ASN 36 N 1.43 6.64 0.11 4.50 3.84 -1.26 -0.76 114.94 129.44 1n02 s ASN 36 Ca -0.04 0.76 0.24 0.00 0.21 0.00 0.00 52.86 54.03 1n02 s ASN 36 Cb -0.13 -2.37 0.32 0.00 -0.55 0.00 0.00 41.25 38.52 1n02 s ASN 36 CO -0.03 -0.43 1.29 0.18 -2.79 0.00 0.00 177.10 175.32 1n02 n LEU 37 N 5.84 0.69 -0.17 3.21 4.32 0.56 -3.78 117.00 127.67 1n02 n LEU 37 Ca 0.01 0.21 -0.04 0.00 -0.02 0.00 0.00 56.01 56.16 1n02 n LEU 37 Cb 0.48 -0.17 0.05 0.00 -1.62 0.00 0.00 43.42 42.16 1n02 n LEU 37 CO 0.45 -0.05 1.03 -2.24 -1.22 0.00 0.00 177.39 175.36 1n02 h ASP 38 N 0.00 0.39 0.38 -1.43 2.03 -1.39 0.87 116.42 117.27 1n02 h ASP 38 Ca 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1n02 h ASP 38 Cb 0.74 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 1n02 h ASP 38 CO 0.00 0.27 -0.67 -0.90 -1.03 0.00 0.00 179.24 176.91 1n02 n ASP 39 N -4.87 0.64 -0.03 4.15 5.68 -1.26 -0.96 116.55 119.90 1n02 n ASP 39 Ca 0.04 -0.43 -0.03 0.00 -0.50 0.00 0.00 54.79 53.88 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 -1.55 0.21 -2.83 2.11 8.25 -0.93 -3.77 115.22 116.71 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 -0.35 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.60 4.47 0.23 1.59 1.09 0.30 -0.36 121.20 126.92 1n02 s ILE 41 Ca -0.08 1.33 -0.00 0.00 -1.10 0.00 0.00 60.65 60.80 1n02 s ILE 41 Cb 0.01 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 1n02 s ILE 41 CO 0.12 -0.34 0.19 0.00 -0.10 0.00 0.00 174.94 174.80 1n02 s ALA 42 N -2.20 1.18 -0.30 9.38 0.00 0.35 -3.77 121.76 126.40 1n02 s ALA 42 Ca 0.60 -1.70 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 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 -0.62 0.01 1.21 0.00 0.00 0.00 175.76 176.52 1n02 s ASN 43 N -3.19 4.87 -0.65 0.00 2.47 -1.26 -1.89 114.94 115.29 1n02 s ASN 43 Ca 0.38 -1.11 -0.03 0.00 0.42 0.00 0.00 52.86 52.52 1n02 s ASN 43 Cb 0.06 -1.75 0.17 0.00 -1.45 0.00 0.00 41.25 38.28 1n02 s ASN 43 CO 0.15 -0.24 0.47 -0.63 -3.72 0.00 0.00 177.10 173.13 1n02 s ILE 44 N 1.32 3.76 -0.91 -5.21 1.09 -0.11 -4.70 121.20 116.44 1n02 s ILE 44 Ca -0.03 -3.08 -0.05 0.00 -1.10 0.00 0.00 60.65 56.40 1n02 s ILE 44 Cb -0.19 -3.44 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 1n02 s ILE 44 CO -0.01 -0.90 0.61 -0.67 -0.10 0.00 0.00 174.94 173.88 1n02 n ASP 45 N 3.34 -4.67 0.00 3.58 -0.08 -1.26 -2.64 116.55 114.81 1n02 n ASP 45 Ca 0.09 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 1n02 n ASP 45 Cb 0.38 -3.37 0.00 0.00 2.34 0.00 0.00 41.12 40.47 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 -1.38 0.84 3.47 0.27 0.00 -1.06 -4.18 105.19 103.15 1n02 n GLY 46 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.32 3.26 -0.25 2.61 2.01 -1.08 -4.53 115.64 114.34 1n02 s THR 47 Ca 0.00 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 1n02 s THR 47 Cb 0.00 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.18 1n02 s THR 47 CO 0.00 0.57 1.19 -0.76 -0.69 0.00 0.00 174.62 174.92 1n02 s LEU 48 N -0.37 4.03 0.10 4.42 1.43 -1.26 -0.93 118.68 126.10 1n02 s LEU 48 Ca 0.04 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.50 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 -0.85 0.02 -0.54 0.23 0.00 0.00 176.35 175.23 1n02 s LYS 49 N 3.64 0.81 -0.13 1.70 1.02 -0.79 -4.91 119.74 121.08 1n02 s LYS 49 Ca 0.51 -1.35 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 1n02 s LYS 49 Cb -0.17 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.30 1n02 s LYS 49 CO 0.15 -0.19 0.67 -1.58 -0.92 0.00 0.00 175.35 173.49 1n02 s TRP 50 N -3.96 3.49 -0.14 3.18 0.51 -1.26 0.13 118.94 120.87 1n02 s TRP 50 Ca 0.17 1.11 -0.33 0.00 -2.12 0.00 0.00 56.10 54.93 1n02 s TRP 50 Cb 0.08 -2.80 0.13 0.00 -0.81 0.00 0.00 33.47 30.06 1n02 s TRP 50 CO -0.03 -0.03 1.12 -0.65 -0.51 0.00 0.00 176.95 176.85 1n02 s GLN 51 N 1.31 0.45 -1.36 4.98 -0.21 0.51 -4.81 119.66 120.52 1n02 s GLN 51 Ca 0.34 -0.14 -0.10 0.00 0.02 0.00 0.00 55.36 55.47 1n02 s GLN 51 Cb -0.17 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.98 1n02 s GLN 51 CO 0.14 -0.19 2.59 -0.35 -2.12 0.00 0.00 175.29 175.36 1n02 n PRO 52 N -0.07 3.04 -3.67 2.91 -0.04 -1.25 -4.03 135.00 131.90 1n02 n PRO 52 Ca -0.02 -2.01 -0.11 0.00 -0.04 0.00 0.00 63.50 61.31 1n02 n PRO 52 Cb 0.59 -2.76 -0.08 0.00 -0.04 0.00 0.00 33.50 31.21 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 2.77 -0.69 -0.48 3.54 1.04 -1.25 -4.98 113.70 113.66 1n02 s SER 53 Ca 0.58 1.22 -0.27 0.00 0.48 0.00 0.00 55.95 57.96 1n02 s SER 53 Cb 0.15 1.17 0.03 0.00 0.10 0.00 0.00 66.02 67.47 1n02 s SER 53 CO -0.05 -0.21 1.05 0.20 0.98 0.00 0.00 173.24 175.21 1n02 s ASN 54 N 0.88 6.57 0.55 7.02 0.01 -0.13 -3.31 114.94 126.52 1n02 s ASN 54 Ca -0.05 0.29 0.40 0.00 -0.71 0.00 0.00 52.86 52.79 1n02 s ASN 54 Cb -0.05 -2.51 1.60 0.00 0.41 0.00 0.00 41.25 40.70 1n02 s ASN 54 CO -0.07 -1.17 1.76 2.19 -1.51 0.00 0.00 177.10 178.29 1n02 h PHE 55 N 9.18 0.00 0.00 2.20 -0.00 -1.77 -0.30 116.94 126.25 1n02 h PHE 55 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.73 1n02 h PHE 55 Cb 1.07 -0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 1n02 h PHE 55 CO 0.93 -0.00 0.40 0.66 -0.00 0.00 0.00 178.31 180.30 1n02 h SER 56 N 0.00 0.00 0.06 -0.68 4.64 -1.88 -0.53 113.55 115.16 1n02 h SER 56 Ca 0.65 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.95 1n02 h SER 56 Cb 2.59 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.68 1n02 h SER 56 CO -0.01 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.46 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.46 -3.14 115.11 116.37 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 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1n02 h GLN 57 CO 0.00 0.06 0.00 0.25 -0.95 0.00 0.00 178.83 178.19 1n02 n THR 58 N -4.38 0.03 -4.26 -0.54 -2.24 -0.30 -5.07 114.28 97.53 1n02 n THR 58 Ca -0.03 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.17 1n02 n THR 58 Cb 0.14 1.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.19 0.37 -1.03 0.00 1.13 0.38 -4.57 117.35 112.44 1n02 s TYR 60 Ca 0.22 -0.81 -0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1n02 s TYR 60 Cb -0.11 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.48 1n02 s TYR 60 CO 0.14 -0.37 0.88 0.09 -2.51 0.00 0.00 175.55 173.78 1n02 n ASN 61 N 0.43 -3.59 -4.75 -0.18 5.03 -1.26 -2.76 115.26 108.18 1n02 n ASN 61 Ca -0.17 -0.48 -0.41 0.00 0.87 0.00 0.00 54.58 54.40 1n02 n ASN 61 Cb 0.60 -4.24 -0.03 0.00 -1.02 0.00 0.00 39.78 35.09 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 -3.74 6.89 0.02 6.41 0.01 -1.26 -4.24 113.70 117.79 1n02 s SER 62 Ca 0.21 2.50 -0.05 0.00 1.31 0.00 0.00 55.95 59.92 1n02 s SER 62 Cb -0.09 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1n02 s SER 62 CO 0.59 -0.49 0.09 0.00 0.41 0.00 0.00 173.24 173.85 1n02 s ALA 63 N -0.52 -0.14 -0.01 1.44 0.00 0.40 -4.94 121.76 117.99 1n02 s ALA 63 Ca 0.52 -0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.13 1n02 s ALA 63 Cb -0.37 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1n02 s ALA 63 CO 0.44 -0.25 -0.12 0.42 0.00 0.00 0.00 175.76 176.25 1n02 s ILE 64 N -1.94 0.93 -0.17 0.00 1.01 -1.26 0.11 121.20 119.88 1n02 s ILE 64 Ca -0.11 -0.52 -0.04 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 -0.01 0.25 0.07 -1.10 0.00 0.00 0.00 174.94 174.14 1n02 s GLN 65 N -0.31 0.29 7.89 2.79 -0.21 -0.55 -4.56 119.66 124.99 1n02 s GLN 65 Ca 0.04 -0.18 0.00 0.00 0.02 0.00 0.00 55.36 55.24 1n02 s GLN 65 Cb -0.05 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1n02 s GLN 65 CO -0.00 -0.64 0.00 0.41 -2.12 0.00 0.00 175.29 172.94 1n02 n GLY 66 N 5.19 3.49 0.66 3.09 0.00 -1.26 -2.10 105.19 114.26 1n02 n GLY 66 Ca -0.08 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 8.43 2.37 -4.76 1.61 3.41 -1.26 -4.73 113.62 118.70 1n02 n SER 67 Ca 0.00 -1.69 -0.36 0.00 -0.26 0.00 0.00 58.87 56.57 1n02 n SER 67 Cb 0.00 0.29 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.24 4.88 -0.23 -3.33 1.01 -0.89 -1.65 120.40 117.94 1n02 s VAL 68 Ca 0.22 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1n02 s VAL 68 Cb 0.18 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1n02 s VAL 68 CO 0.46 0.59 0.11 -0.22 0.00 0.00 0.00 175.10 176.03 1n02 s LEU 69 N -0.75 3.82 -0.15 3.92 2.96 -0.43 -1.48 118.68 126.57 1n02 s LEU 69 Ca 0.12 0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1n02 s LEU 69 Cb -0.12 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1n02 s LEU 69 CO 0.03 0.06 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.08 1n02 s THR 70 N 1.07 2.80 0.03 3.68 2.01 0.31 -2.77 115.64 122.77 1n02 s THR 70 Ca 0.06 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.16 1n02 s THR 70 Cb -0.14 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.22 1n02 s THR 70 CO 0.04 0.51 0.37 -0.55 -0.69 0.00 0.00 174.62 174.31 1n02 s SER 71 N 0.70 -0.24 -0.19 3.53 0.15 -1.18 0.15 113.70 116.62 1n02 s SER 71 Ca -0.07 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.42 1n02 s SER 71 Cb -0.16 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO 0.02 -0.61 0.36 -0.89 1.20 0.00 0.00 173.24 173.32 1n02 s THR 72 N -2.26 5.23 0.05 6.45 2.01 -1.11 -1.67 115.64 124.34 1n02 s THR 72 Ca -0.07 0.64 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1n02 s THR 72 Cb -0.02 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1n02 s THR 72 CO -0.01 0.29 -0.18 0.00 -0.69 0.00 0.00 174.62 174.03 1n02 s GLU 74 N -1.30 4.64 0.13 0.00 2.12 -0.33 0.55 118.70 124.50 1n02 s GLU 74 Ca 0.04 1.71 -0.11 0.00 0.36 0.00 0.00 54.97 56.97 1n02 s GLU 74 Cb -0.09 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1n02 s GLU 74 CO 0.02 0.16 0.49 1.03 -0.54 0.00 0.00 175.26 176.42 1n02 s ARG 75 N -0.72 3.85 0.50 4.30 0.52 -0.90 -2.58 118.95 123.93 1n02 s ARG 75 Ca 0.47 0.31 0.27 0.00 -0.52 0.00 0.00 55.73 56.26 1n02 s ARG 75 Cb -0.29 -2.91 1.36 0.00 0.52 0.00 0.00 34.95 33.62 1n02 s ARG 75 CO 0.36 0.48 1.90 1.15 0.02 0.00 0.00 175.30 179.21 1n02 h THR 76 N 2.66 0.62 -0.02 0.02 2.02 -1.92 0.59 112.91 116.87 1n02 h THR 76 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1n02 h THR 76 Cb 1.19 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1n02 h THR 76 CO 0.67 0.02 0.00 0.59 0.37 0.00 0.00 175.52 177.17 1n02 n ASN 77 N -4.36 0.29 0.00 4.18 3.02 -1.26 -4.99 115.26 112.14 1n02 n ASN 77 Ca 0.17 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1n02 n ASN 77 Cb 0.83 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.99 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n02 n GLY 78 N 0.91 -0.26 0.00 7.41 0.00 0.21 -5.13 105.19 108.33 1n02 n GLY 78 Ca 0.17 -1.32 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 0.97 -0.02 3.09 -0.02 0.00 -1.26 -4.67 105.19 103.27 1n02 n GLY 79 Ca 0.00 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.35 1.02 -0.21 1.61 2.02 -1.26 -2.11 117.35 118.07 1n02 s TYR 80 Ca 0.00 -0.28 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 1n02 s TYR 80 Cb 0.00 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 41.00 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 -0.73 -0.66 -0.06 2.29 3.84 0.19 -4.92 114.94 114.89 1n02 s ASN 81 Ca 0.02 1.10 -0.17 0.00 0.21 0.00 0.00 52.86 54.02 1n02 s ASN 81 Cb -0.06 0.99 -0.05 0.00 -0.55 0.00 0.00 41.25 41.58 1n02 s ASN 81 CO 0.00 -0.21 0.45 0.28 -2.79 0.00 0.00 177.10 174.83 1n02 s THR 82 N 1.39 5.10 0.26 -5.21 -1.32 -1.26 0.09 115.64 114.69 1n02 s THR 82 Ca -0.09 0.91 0.12 0.00 -1.21 0.00 0.00 61.69 61.41 1n02 s THR 82 Cb -0.07 -3.77 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1n02 s THR 82 CO -0.14 0.44 -0.20 -0.94 -2.21 0.00 0.00 174.62 171.57 1n02 s SER 83 N -0.12 3.59 0.04 8.08 1.04 -0.67 -4.94 113.70 120.73 1n02 s SER 83 Ca 0.25 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.78 1n02 s SER 83 Cb -0.16 -0.31 -0.03 0.00 0.10 0.00 0.00 66.02 65.62 1n02 s SER 83 CO 0.12 0.06 -0.23 -0.44 0.98 0.00 0.00 173.24 173.72 1n02 s SER 84 N -3.32 2.80 -0.05 7.02 0.01 -1.26 -3.11 113.70 115.79 1n02 s SER 84 Ca 0.28 -0.56 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 1n02 s SER 84 Cb -0.06 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1n02 s SER 84 CO 0.14 0.21 0.23 -0.51 0.41 0.00 0.00 173.24 173.72 1n02 s ILE 85 N -0.80 0.04 -0.29 1.44 2.07 -1.12 -4.92 121.20 117.61 1n02 s ILE 85 Ca 0.09 -0.30 -0.13 0.00 -1.41 0.00 0.00 60.65 58.91 1n02 s ILE 85 Cb -0.09 -0.44 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1n02 s ILE 85 CO 0.02 -0.16 0.28 -0.62 -1.91 0.00 0.00 174.94 172.54 1n02 s ASP 86 N -0.62 6.12 0.00 4.50 -1.08 -1.26 -1.31 116.67 123.02 1n02 s ASP 86 Ca -0.07 -0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.18 1n02 s ASP 86 Cb -0.04 -2.16 -0.06 0.00 -1.46 0.00 0.00 42.92 39.20 1n02 s ASP 86 CO 0.02 -0.16 1.04 0.18 0.52 0.00 0.00 175.17 176.77 1n02 n LEU 87 N 5.20 1.68 -0.36 -1.34 4.77 -0.66 -4.49 117.00 121.81 1n02 n LEU 87 Ca -0.11 -0.66 0.37 0.00 -0.03 0.00 0.00 56.01 55.58 1n02 n LEU 87 Cb 0.51 -0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.31 1n02 n LEU 87 CO 0.36 0.33 1.34 -1.13 -1.33 0.00 0.00 177.39 176.97 1n02 h ASN 88 N 1.65 0.00 0.28 -1.43 -0.00 -1.86 0.36 115.58 114.57 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 0.67 0.00 0.04 0.00 -0.00 0.00 0.00 38.32 39.03 1n02 h ASN 88 CO 0.00 0.00 -1.49 0.28 -0.00 0.00 0.00 177.43 176.22 1n02 h SER 89 N 0.00 0.81 0.09 1.15 0.02 -1.78 -2.71 113.55 111.13 1n02 h SER 89 Ca 0.61 -0.89 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1n02 h SER 89 Cb 2.66 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.94 1n02 h SER 89 CO -0.01 1.70 -0.04 -0.37 -1.14 0.00 0.00 176.83 176.97 1n02 h VAL 90 N 0.14 1.14 -3.88 2.27 -1.51 -0.56 -1.30 116.25 112.56 1n02 h VAL 90 Ca -0.26 -1.35 -0.47 0.00 -1.23 0.00 0.00 66.70 63.39 1n02 h VAL 90 Cb 2.16 1.95 -0.02 0.00 -2.13 0.00 0.00 31.29 33.24 1n02 h VAL 90 CO 0.27 0.31 0.27 -0.63 -1.23 0.00 0.00 177.57 176.55 1n02 s ILE 91 N -3.38 4.40 0.16 7.19 1.09 -0.66 0.11 121.20 130.11 1n02 s ILE 91 Ca -0.14 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 60.90 1n02 s ILE 91 Cb 0.00 -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 0.00 174.94 174.66 1n02 s GLU 92 N -2.60 1.06 -0.48 2.79 2.12 0.32 -3.06 118.70 118.85 1n02 s GLU 92 Ca 0.54 -1.51 -0.10 0.00 0.36 0.00 0.00 54.97 54.26 1n02 s GLU 92 Cb -0.13 -0.03 0.12 0.00 0.26 0.00 0.00 34.13 34.34 1n02 s GLU 92 CO 0.18 -0.21 0.36 1.21 -0.54 0.00 0.00 175.26 176.27 1n02 s ASN 93 N -3.13 5.74 -0.64 -1.70 2.47 -1.26 -0.71 114.94 115.71 1n02 s ASN 93 Ca 0.26 -1.92 -0.16 0.00 0.42 0.00 0.00 52.86 51.45 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 0.04 -0.70 0.62 -0.69 -3.72 0.00 0.00 177.10 172.64 1n02 s VAL 94 N 1.35 5.29 -1.28 -5.21 1.01 0.89 -4.54 120.40 117.90 1n02 s VAL 94 Ca 0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 1n02 s VAL 94 Cb -0.26 -4.40 0.03 0.00 0.00 0.00 0.00 36.38 31.74 1n02 s VAL 94 CO -0.01 -0.96 0.33 -0.67 0.00 0.00 0.00 175.10 173.79 1n02 n ASP 95 N 4.99 -4.35 0.00 3.32 2.03 -1.26 -1.76 116.55 119.52 1n02 n ASP 95 Ca -0.04 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1n02 n ASP 95 Cb 0.43 -3.61 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 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 -1.11 1.34 2.88 0.27 0.00 -1.25 -4.63 105.19 102.69 1n02 n GLY 96 Ca -0.09 -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 -0.45 0.00 0.00 0.00 173.32 172.87 1n02 s SER 97 N -2.34 -0.03 -0.15 1.61 0.15 -0.72 -4.50 113.70 107.71 1n02 s SER 97 Ca 0.00 0.14 -0.29 0.00 0.70 0.00 0.00 55.95 56.50 1n02 s SER 97 Cb 0.00 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1n02 s SER 97 CO 0.00 -0.09 1.28 -0.76 1.20 0.00 0.00 173.24 174.88 1n02 s LEU 98 N 0.65 4.20 -0.02 3.45 1.43 -1.25 -0.08 118.68 127.06 1n02 s LEU 98 Ca -0.05 1.73 0.06 0.00 -1.03 0.00 0.00 54.13 54.84 1n02 s LEU 98 Cb -0.07 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 1n02 s LEU 98 CO -0.02 -0.76 -0.21 -0.54 0.23 0.00 0.00 176.35 175.04 1n02 s LYS 99 N 3.45 1.84 -1.11 1.70 1.02 0.11 -4.78 119.74 121.98 1n02 s LYS 99 Ca 0.56 -0.77 -0.19 0.00 0.02 0.00 0.00 55.97 55.59 1n02 s LYS 99 Cb -0.23 -1.73 0.09 0.00 -0.52 0.00 0.00 37.83 35.44 1n02 s LYS 99 CO 0.16 0.43 1.46 -0.47 -0.92 0.00 0.00 175.35 176.01 1n02 s TYR 100 N -0.41 2.86 0.00 3.18 6.14 -1.26 0.12 117.35 127.99 1n02 s TYR 100 Ca 0.06 -1.36 0.00 0.00 0.64 0.00 0.00 57.07 56.40 1n02 s TYR 100 Cb -0.09 -4.57 0.00 0.00 0.42 0.00 0.00 41.96 37.71 1n02 s TYR 100 CO -0.00 -1.73 0.00 -0.85 0.64 0.00 0.00 175.55 173.61