#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 4.31 0.37 0.99 2.96 -1.26 -5.07 118.68 120.99 1n02 s LEU 1 Ca 0.00 0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 53.70 1n02 s LEU 1 Cb 0.00 -2.85 -0.10 0.00 0.50 0.00 0.00 46.19 43.73 1n02 s LEU 1 CO 0.00 -0.06 1.40 -0.83 -1.32 0.00 0.00 176.35 175.54 1n02 s GLY 2 N -3.92 2.96 -0.44 7.98 0.00 -1.10 -5.00 107.32 107.80 1n02 s GLY 2 Ca 0.34 1.42 0.05 0.00 0.00 0.00 0.00 44.72 46.54 1n02 s GLY 2 CO 0.29 2.08 0.53 1.25 0.00 0.00 0.00 173.10 177.24 1n02 s LYS 3 N -2.06 0.89 -0.15 2.90 2.47 -1.12 -3.72 119.74 118.96 1n02 s LYS 3 Ca 0.53 -1.20 -0.09 0.00 -1.56 0.00 0.00 55.97 53.65 1n02 s LYS 3 Cb -0.43 -0.56 -0.24 0.00 -1.46 0.00 0.00 37.83 35.14 1n02 s LYS 3 CO 0.57 -1.30 0.29 1.97 0.16 0.00 0.00 175.35 177.05 1n02 n PHE 4 N 3.41 1.13 0.31 4.03 -1.74 -1.21 -4.12 117.46 119.27 1n02 n PHE 4 Ca 0.19 0.28 0.18 0.00 -0.56 0.00 0.00 57.45 57.53 1n02 n PHE 4 Cb 0.51 -1.14 0.99 0.00 1.52 0.00 0.00 39.48 41.36 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 -0.13 0.27 0.00 1.97 6.09 -1.85 0.88 117.51 124.74 1n02 h ILE 5 Ca -0.43 -0.15 -0.07 0.00 -1.37 0.00 0.00 64.86 62.84 1n02 h ILE 5 Cb 1.90 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 40.29 1n02 h ILE 5 CO 0.02 0.02 -0.34 -0.33 -3.07 0.00 0.00 178.15 174.45 1n02 h GLU 6 N 0.00 0.00 -0.00 2.19 4.39 -1.96 -3.28 114.58 115.92 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 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1n02 h GLU 6 CO 0.00 0.34 -0.04 0.25 -1.16 0.00 0.00 179.01 178.41 1n02 n THR 7 N -3.34 0.00 -4.22 1.13 -2.24 -0.31 -5.04 114.28 100.27 1n02 n THR 7 Ca 0.01 -0.48 -0.26 0.00 -2.27 0.00 0.00 64.05 61.05 1n02 n THR 7 Cb 0.56 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 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 -3.01 1.68 -1.16 0.00 1.70 0.22 -4.72 118.95 113.65 1n02 s ARG 9 Ca 0.28 -1.96 -0.23 0.00 -0.47 0.00 0.00 55.73 53.35 1n02 s ARG 9 Cb -0.09 -0.64 0.00 0.00 -0.57 0.00 0.00 34.95 33.65 1n02 s ARG 9 CO 0.19 -0.30 0.76 0.27 -1.08 0.00 0.00 175.30 175.13 1n02 n ASN 10 N -0.83 -4.90 -4.72 -2.89 6.94 -1.26 -2.22 115.26 105.39 1n02 n ASN 10 Ca -0.03 -1.07 -0.42 0.00 -0.02 0.00 0.00 54.58 53.05 1n02 n ASN 10 Cb 0.66 -3.05 -0.04 0.00 -2.36 0.00 0.00 39.78 34.99 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 -3.50 4.53 0.19 5.53 -4.23 -1.26 -4.35 115.64 112.55 1n02 s THR 11 Ca 0.46 1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 62.72 1n02 s THR 11 Cb -0.18 -4.24 0.04 0.00 1.34 0.00 0.00 72.50 69.46 1n02 s THR 11 CO 0.88 0.22 0.56 0.00 -0.54 0.00 0.00 174.62 175.75 1n02 s GLN 12 N 0.52 1.38 -0.11 3.99 -2.07 -0.95 -4.42 119.66 118.01 1n02 s GLN 12 Ca 0.51 -0.75 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 1n02 s GLN 12 Cb -0.24 0.55 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1n02 s GLN 12 CO 0.30 -0.60 0.24 -1.17 -1.32 0.00 0.00 175.29 172.74 1n02 s LEU 13 N -2.84 4.36 0.07 2.60 2.96 -1.26 -1.25 118.68 123.32 1n02 s LEU 13 Ca 0.06 0.57 0.10 0.00 -0.22 0.00 0.00 54.13 54.64 1n02 s LEU 13 Cb -0.01 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1n02 s LEU 13 CO -0.05 0.29 -0.26 0.00 -1.32 0.00 0.00 176.35 175.01 1n02 s ALA 14 N -0.53 2.21 0.00 5.97 0.00 0.35 -4.88 121.76 124.89 1n02 s ALA 14 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1n02 s ALA 14 Cb -0.13 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1n02 s ALA 14 CO 0.06 0.51 0.00 0.41 0.00 0.00 0.00 175.76 176.73 1n02 n GLY 15 N 1.48 0.98 0.12 0.00 0.00 -1.26 -0.99 105.19 105.51 1n02 n GLY 15 Ca -0.17 -0.67 -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 5.44 0.43 -0.25 1.61 0.02 -1.97 -3.41 113.55 115.42 1n02 h SER 16 Ca 0.00 -0.65 -0.21 0.00 -0.84 0.00 0.00 61.79 60.08 1n02 h SER 16 Cb 0.00 -0.14 -0.39 0.00 0.14 0.00 0.00 62.40 62.01 1n02 h SER 16 CO 0.00 1.55 -1.06 -1.54 -1.14 0.00 0.00 176.83 174.65 1n02 n SER 17 N -3.47 1.24 -4.51 3.07 3.41 -1.25 -4.68 113.62 107.43 1n02 n SER 17 Ca -0.20 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.10 1n02 n SER 17 Cb 1.05 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.52 1n02 n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1n02 s GLU 18 N -2.23 1.91 -0.14 4.33 8.01 -0.17 -0.87 118.70 129.54 1n02 s GLU 18 Ca 0.29 -1.12 0.02 0.00 0.01 0.00 0.00 54.97 54.16 1n02 s GLU 18 Cb 0.34 -2.18 0.02 0.00 -4.31 0.00 0.00 34.13 28.00 1n02 s GLU 18 CO -0.09 0.49 -0.18 -1.17 0.01 0.00 0.00 175.26 174.32 1n02 s LEU 19 N -2.12 1.91 0.04 1.80 2.96 -0.04 0.13 118.68 123.36 1n02 s LEU 19 Ca 0.19 -0.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.64 1n02 s LEU 19 Cb -0.11 -1.29 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 1n02 s LEU 19 CO 0.11 0.02 -0.24 0.00 -1.32 0.00 0.00 176.35 174.91 1n02 s ALA 20 N 1.10 2.33 0.28 5.97 0.00 -0.38 0.29 121.76 131.36 1n02 s ALA 20 Ca -0.02 -1.23 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 1n02 s ALA 20 Cb -0.14 -0.55 0.04 0.00 0.00 0.00 0.00 23.12 22.46 1n02 s ALA 20 CO -0.06 0.54 0.79 0.00 0.00 0.00 0.00 175.76 177.04 1n02 s ALA 21 N -0.81 -1.18 -0.11 0.00 0.00 0.83 -2.23 121.76 118.26 1n02 s ALA 21 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1n02 s ALA 21 Cb -0.10 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 1n02 s ALA 21 CO 0.02 -1.03 -0.08 -1.21 0.00 0.00 0.00 175.76 173.47 1n02 s GLU 22 N -3.30 3.22 -0.05 0.00 0.41 -0.94 0.66 118.70 118.71 1n02 s GLU 22 Ca 0.13 -0.58 0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1n02 s GLU 22 Cb -0.05 -2.71 0.01 0.00 -1.78 0.00 0.00 34.13 29.61 1n02 s GLU 22 CO 0.07 0.40 -0.10 0.00 -0.49 0.00 0.00 175.26 175.15 1n02 s LYS 24 N 0.53 4.30 0.66 0.00 -2.85 -1.17 -2.62 119.74 118.60 1n02 s LYS 24 Ca -0.10 2.26 -0.06 0.00 -1.00 0.00 0.00 55.97 57.08 1n02 s LYS 24 Cb -0.13 -3.10 0.14 0.00 -2.06 0.00 0.00 37.83 32.68 1n02 s LYS 24 CO 0.02 -0.32 0.90 0.25 0.10 0.00 0.00 175.35 176.30 1n02 n THR 25 N 1.72 0.00 0.25 3.79 -2.24 0.29 -3.93 114.28 114.16 1n02 n THR 25 Ca 0.04 -1.06 0.08 0.00 -2.27 0.00 0.00 64.05 60.84 1n02 n THR 25 Cb 0.41 -1.25 0.62 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.04 -0.78 2.47 -1.87 -1.64 114.38 112.52 1n02 h ARG 26 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 1n02 h ARG 26 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 1n02 h ARG 26 CO 0.27 0.10 0.00 0.00 0.56 0.00 0.00 179.97 180.89 1n02 n ALA 27 N -2.47 2.52 -3.04 0.04 0.00 -1.26 -4.86 120.51 111.44 1n02 n ALA 27 Ca -0.03 -0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 1n02 n ALA 27 Cb 0.18 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.43 -4.50 -5.19 0.00 6.02 -0.62 -5.02 117.38 107.64 1n02 n GLN 28 Ca 0.05 0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 57.30 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 -5.65 2.55 -0.20 -1.09 -0.21 -1.26 -4.88 119.66 108.94 1n02 s GLN 29 Ca 0.32 -0.87 -0.17 0.00 0.02 0.00 0.00 55.36 54.65 1n02 s GLN 29 Cb -0.14 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.63 1n02 s GLN 29 CO 0.39 0.42 0.47 -0.06 -2.12 0.00 0.00 175.29 174.39 1n02 s PHE 30 N -0.25 3.38 0.06 0.91 0.40 -1.26 0.11 117.98 121.32 1n02 s PHE 30 Ca -0.01 0.72 0.05 0.00 -0.60 0.00 0.00 56.93 57.09 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 -0.06 -0.15 0.14 0.70 0.00 0.00 175.22 175.88 1n02 s VAL 31 N 1.49 1.18 0.24 -0.44 -7.23 -1.08 -4.94 120.40 109.63 1n02 s VAL 31 Ca 0.22 -1.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 1n02 s VAL 31 Cb -0.15 -1.11 -0.09 0.00 0.56 0.00 0.00 36.38 35.59 1n02 s VAL 31 CO 0.09 -0.13 1.21 -0.55 -0.31 0.00 0.00 175.10 175.41 1n02 s SER 32 N -1.57 7.05 0.12 4.85 0.15 -1.26 -1.07 113.70 121.96 1n02 s SER 32 Ca 0.00 2.35 -0.07 0.00 0.70 0.00 0.00 55.95 58.93 1n02 s SER 32 Cb -0.09 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.59 1n02 s SER 32 CO 0.02 -0.36 0.19 0.28 1.20 0.00 0.00 173.24 174.57 1n02 s THR 33 N -0.52 0.12 0.04 6.45 -1.32 0.21 -4.90 115.64 115.73 1n02 s THR 33 Ca 0.50 -1.37 -0.06 0.00 -1.21 0.00 0.00 61.69 59.56 1n02 s THR 33 Cb -0.34 -1.60 -0.01 0.00 -1.51 0.00 0.00 72.50 69.04 1n02 s THR 33 CO 0.41 -0.54 0.10 -0.75 -2.21 0.00 0.00 174.62 171.63 1n02 s LYS 34 N -3.92 0.62 -0.05 7.08 2.20 -1.26 -0.12 119.74 124.29 1n02 s LYS 34 Ca 0.11 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1n02 s LYS 34 Cb 0.05 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.63 1n02 s LYS 34 CO -0.06 -0.16 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.25 1n02 s ILE 35 N -2.85 0.43 -0.28 5.43 1.10 0.15 -4.41 121.20 120.76 1n02 s ILE 35 Ca -0.03 -0.03 -0.21 0.00 -0.51 0.00 0.00 60.65 59.87 1n02 s ILE 35 Cb 0.00 -0.50 -0.01 0.00 0.15 0.00 0.00 42.46 42.10 1n02 s ILE 35 CO -0.06 0.22 0.67 0.21 -2.11 0.00 0.00 174.94 173.87 1n02 s ASN 36 N 1.14 6.58 0.14 4.50 3.84 -1.26 -0.86 114.94 129.02 1n02 s ASN 36 Ca -0.08 0.62 0.24 0.00 0.21 0.00 0.00 52.86 53.85 1n02 s ASN 36 Cb -0.14 -2.35 0.25 0.00 -0.55 0.00 0.00 41.25 38.46 1n02 s ASN 36 CO -0.01 -0.46 1.25 -0.07 -2.79 0.00 0.00 177.10 175.01 1n02 h LEU 37 N 9.11 0.00 -0.68 3.21 4.07 -1.35 -3.32 115.31 126.35 1n02 h LEU 37 Ca -0.26 -0.17 0.06 0.00 0.08 0.00 0.00 57.88 57.59 1n02 h LEU 37 Cb 1.11 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.80 1n02 h LEU 37 CO 0.81 0.09 0.38 -2.24 -1.08 0.00 0.00 178.44 176.39 1n02 h ASP 38 N 0.00 0.55 0.39 -0.43 2.03 -1.45 1.04 116.42 118.55 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 0.81 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1n02 h ASP 38 CO 0.00 0.35 -0.67 0.47 -1.03 0.00 0.00 179.24 178.36 1n02 n ASP 39 N -4.79 0.63 -0.04 4.15 8.00 -1.26 -0.97 116.55 122.28 1n02 n ASP 39 Ca 0.09 -0.41 -0.04 0.00 0.71 0.00 0.00 54.79 55.14 1n02 n ASP 39 Cb 0.18 0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1n02 n ASP 39 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1n02 n HIS 40 N -1.56 0.16 -2.86 1.24 8.25 -0.83 -3.84 115.22 115.78 1n02 n HIS 40 Ca 0.05 0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 1n02 n HIS 40 Cb 0.35 -0.34 -0.07 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 -1.85 4.39 0.25 1.59 -1.09 0.35 -1.43 121.20 123.41 1n02 s ILE 41 Ca -0.12 1.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.80 1n02 s ILE 41 Cb 0.02 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1n02 s ILE 41 CO 0.18 -0.18 0.15 0.00 -1.23 0.00 0.00 174.94 173.87 1n02 s ALA 42 N -2.00 1.49 -0.32 9.38 0.00 0.21 -3.71 121.76 126.81 1n02 s ALA 42 Ca 0.58 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 1n02 s ALA 42 Cb -0.12 1.32 0.05 0.00 0.00 0.00 0.00 23.12 24.37 1n02 s ALA 42 CO 0.16 -0.57 0.06 1.21 0.00 0.00 0.00 175.76 176.62 1n02 s ASN 43 N -3.25 5.13 -0.71 0.00 2.47 -1.26 -1.46 114.94 115.86 1n02 s ASN 43 Ca 0.39 -1.23 -0.05 0.00 0.42 0.00 0.00 52.86 52.38 1n02 s ASN 43 Cb 0.06 -1.80 0.18 0.00 -1.45 0.00 0.00 41.25 38.24 1n02 s ASN 43 CO 0.16 -0.31 0.56 -0.63 -3.72 0.00 0.00 177.10 173.16 1n02 s ILE 44 N 1.33 4.21 -0.88 -5.21 -1.09 0.79 -4.63 121.20 115.72 1n02 s ILE 44 Ca -0.03 -2.98 -0.06 0.00 -2.23 0.00 0.00 60.65 55.35 1n02 s ILE 44 Cb -0.20 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1n02 s ILE 44 CO 0.01 -0.94 0.74 -0.67 -1.23 0.00 0.00 174.94 172.85 1n02 n ASP 45 N 3.43 -4.81 0.00 3.58 2.03 -1.26 -2.65 116.55 116.86 1n02 n ASP 45 Ca 0.11 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1n02 n ASP 45 Cb 0.40 -3.41 0.00 0.00 -0.72 0.00 0.00 41.12 37.39 1n02 n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n02 n GLY 46 N -1.46 0.85 3.47 0.27 0.00 -1.06 -4.23 105.19 103.03 1n02 n GLY 46 Ca 0.00 0.00 -0.33 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 -3.34 3.12 -0.26 2.61 2.01 -1.09 -4.51 115.64 114.18 1n02 s THR 47 Ca 0.00 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.02 1n02 s THR 47 Cb 0.00 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1n02 s THR 47 CO 0.00 0.58 1.21 -0.76 -0.69 0.00 0.00 174.62 174.96 1n02 s LEU 48 N -0.55 3.99 0.13 4.42 1.43 -1.26 -0.15 118.68 126.70 1n02 s LEU 48 Ca 0.08 1.31 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 0.01 -0.91 -0.02 -0.54 0.23 0.00 0.00 176.35 175.13 1n02 s LYS 49 N 3.77 0.96 -0.29 1.70 1.02 -0.53 -4.92 119.74 121.45 1n02 s LYS 49 Ca 0.52 -1.43 -0.24 0.00 0.02 0.00 0.00 55.97 54.83 1n02 s LYS 49 Cb -0.17 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 1n02 s LYS 49 CO 0.17 -0.09 0.83 -1.58 -0.92 0.00 0.00 175.35 173.76 1n02 s TRP 50 N -3.68 3.23 -0.27 3.18 0.51 -1.26 0.65 118.94 121.29 1n02 s TRP 50 Ca 0.18 0.96 -0.26 0.00 -2.12 0.00 0.00 56.10 54.87 1n02 s TRP 50 Cb 0.06 -3.21 0.15 0.00 -0.81 0.00 0.00 33.47 29.66 1n02 s TRP 50 CO -0.00 -0.53 1.21 -1.14 -0.51 0.00 0.00 176.95 175.98 1n02 s GLN 51 N 2.99 0.31 -0.62 4.98 0.74 -0.51 -4.88 119.66 122.67 1n02 s GLN 51 Ca 0.35 0.29 -0.26 0.00 0.05 0.00 0.00 55.36 55.79 1n02 s GLN 51 Cb -0.14 0.15 -0.24 0.00 1.10 0.00 0.00 33.01 33.88 1n02 s GLN 51 CO 0.11 -0.05 1.84 -0.35 -0.55 0.00 0.00 175.29 176.29 1n02 n PRO 52 N 1.63 0.76 -3.64 1.67 -0.04 -1.25 -3.78 135.00 130.35 1n02 n PRO 52 Ca -0.10 -1.63 -0.09 0.00 -0.04 0.00 0.00 63.50 61.64 1n02 n PRO 52 Cb 0.57 -3.07 -0.07 0.00 -0.04 0.00 0.00 33.50 30.88 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 6.53 -0.74 -0.49 3.54 1.04 -1.25 -5.00 113.70 117.33 1n02 s SER 53 Ca 0.67 1.28 -0.27 0.00 0.48 0.00 0.00 55.95 58.11 1n02 s SER 53 Cb 0.09 1.30 0.03 0.00 0.10 0.00 0.00 66.02 67.54 1n02 s SER 53 CO 0.21 -0.21 1.06 0.20 0.98 0.00 0.00 173.24 175.48 1n02 s ASN 54 N 0.99 6.55 0.53 7.02 0.01 -0.14 -3.03 114.94 126.85 1n02 s ASN 54 Ca -0.05 0.25 0.34 0.00 -0.71 0.00 0.00 52.86 52.69 1n02 s ASN 54 Cb -0.05 -2.51 1.50 0.00 0.41 0.00 0.00 41.25 40.60 1n02 s ASN 54 CO -0.11 -1.21 1.81 2.19 -1.51 0.00 0.00 177.10 178.28 1n02 h PHE 55 N 9.22 0.08 0.00 2.20 -5.15 -1.78 -0.94 116.94 120.56 1n02 h PHE 55 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.54 1n02 h PHE 55 Cb 1.07 -0.02 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1n02 h PHE 55 CO 0.94 0.00 0.48 0.66 -2.00 0.00 0.00 178.31 178.40 1n02 h SER 56 N 0.04 0.00 0.11 -0.68 4.64 -1.88 -0.12 113.55 115.66 1n02 h SER 56 Ca 0.55 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.86 1n02 h SER 56 Cb 2.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.21 1n02 h SER 56 CO -0.04 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.39 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.58 -3.14 115.11 116.24 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 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1n02 h GLN 57 CO 0.00 0.09 0.00 0.25 -0.95 0.00 0.00 178.83 178.22 1n02 n THR 58 N -4.24 0.00 -4.23 -0.54 -2.24 -0.13 -5.07 114.28 97.83 1n02 n THR 58 Ca -0.03 -0.29 -0.30 0.00 -2.27 0.00 0.00 64.05 61.16 1n02 n THR 58 Cb 0.17 1.42 -0.09 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.21 0.39 -1.07 0.00 1.13 0.33 -4.61 117.35 112.30 1n02 s TYR 60 Ca 0.22 -0.82 -0.03 0.00 -1.41 0.00 0.00 57.07 55.03 1n02 s TYR 60 Cb -0.11 -0.28 0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1n02 s TYR 60 CO 0.14 -0.35 0.91 0.09 -2.51 0.00 0.00 175.55 173.84 1n02 n ASN 61 N 0.53 -3.33 -4.75 -0.18 3.02 -1.26 -2.71 115.26 106.59 1n02 n ASN 61 Ca -0.17 -0.50 -0.41 0.00 -0.03 0.00 0.00 54.58 53.46 1n02 n ASN 61 Cb 0.59 -4.42 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 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 -3.85 6.89 0.02 6.41 0.01 -1.26 -4.21 113.70 117.71 1n02 s SER 62 Ca 0.17 2.46 -0.05 0.00 1.31 0.00 0.00 55.95 59.84 1n02 s SER 62 Cb -0.08 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1n02 s SER 62 CO 0.62 -0.50 0.08 0.00 0.41 0.00 0.00 173.24 173.85 1n02 s ALA 63 N -0.24 -0.09 -0.01 1.44 0.00 0.41 -4.95 121.76 118.33 1n02 s ALA 63 Ca 0.54 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1n02 s ALA 63 Cb -0.37 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1n02 s ALA 63 CO 0.41 -0.25 -0.13 0.42 0.00 0.00 0.00 175.76 176.21 1n02 s ILE 64 N -2.05 1.04 -0.20 0.00 1.01 -1.26 0.14 121.20 119.87 1n02 s ILE 64 Ca -0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1n02 s ILE 64 Cb -0.05 -0.87 0.06 0.00 0.01 0.00 0.00 42.46 41.62 1n02 s ILE 64 CO -0.02 0.29 0.05 -1.10 0.00 0.00 0.00 174.94 174.16 1n02 s GLN 65 N -0.32 0.57 7.93 2.79 -0.21 -0.42 -4.56 119.66 125.44 1n02 s GLN 65 Ca 0.05 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 54.99 1n02 s GLN 65 Cb -0.05 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.93 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 5.07 3.52 0.63 3.09 0.00 -1.26 -2.06 105.19 114.17 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 8.69 2.29 -4.80 1.61 3.41 -1.26 -4.74 113.62 118.82 1n02 n SER 67 Ca 0.00 -1.65 -0.36 0.00 -0.26 0.00 0.00 58.87 56.60 1n02 n SER 67 Cb 0.00 0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.23 5.16 -0.23 -3.33 1.01 -0.87 -1.93 120.40 117.97 1n02 s VAL 68 Ca 0.21 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 1n02 s VAL 68 Cb 0.18 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1n02 s VAL 68 CO 0.46 0.59 0.14 -0.22 0.00 0.00 0.00 175.10 176.07 1n02 s LEU 69 N -0.79 4.00 -0.16 3.92 2.96 -0.13 -1.30 118.68 127.18 1n02 s LEU 69 Ca 0.13 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 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 0.06 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.10 1n02 s THR 70 N 1.06 2.86 0.03 3.68 2.01 0.36 -2.71 115.64 122.94 1n02 s THR 70 Ca 0.07 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 1n02 s THR 70 Cb -0.14 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.18 1n02 s THR 70 CO 0.04 0.50 0.37 -0.55 -0.69 0.00 0.00 174.62 174.30 1n02 s SER 71 N 0.86 -0.23 -0.19 3.53 0.15 -1.18 0.16 113.70 116.79 1n02 s SER 71 Ca -0.04 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.42 1n02 s SER 71 Cb -0.15 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1n02 s SER 71 CO -0.00 -0.62 0.42 -0.89 1.20 0.00 0.00 173.24 173.34 1n02 s THR 72 N -2.33 5.19 0.04 6.45 2.01 -1.10 -1.69 115.64 124.21 1n02 s THR 72 Ca -0.06 0.75 0.06 0.00 0.31 0.00 0.00 61.69 62.75 1n02 s THR 72 Cb -0.01 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1n02 s THR 72 CO -0.02 0.26 -0.17 0.00 -0.69 0.00 0.00 174.62 174.00 1n02 s GLU 74 N -1.14 4.61 0.13 0.00 2.12 -0.44 0.40 118.70 124.39 1n02 s GLU 74 Ca 0.04 1.72 -0.11 0.00 0.36 0.00 0.00 54.97 56.97 1n02 s GLU 74 Cb -0.08 -3.27 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1n02 s GLU 74 CO 0.01 0.11 0.48 1.03 -0.54 0.00 0.00 175.26 176.35 1n02 s ARG 75 N -0.53 3.85 0.57 4.30 0.52 -1.11 -2.55 118.95 124.00 1n02 s ARG 75 Ca 0.48 0.30 0.29 0.00 -0.52 0.00 0.00 55.73 56.29 1n02 s ARG 75 Cb -0.29 -2.91 1.46 0.00 0.52 0.00 0.00 34.95 33.72 1n02 s ARG 75 CO 0.35 0.49 1.89 1.15 0.02 0.00 0.00 175.30 179.20 1n02 h THR 76 N 2.67 0.44 -0.03 0.02 2.02 -1.93 0.77 112.91 116.86 1n02 h THR 76 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1n02 h THR 76 Cb 1.19 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1n02 h THR 76 CO 0.67 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.15 1n02 n ASN 77 N -3.91 0.48 0.00 4.18 3.02 -1.26 -4.99 115.26 112.77 1n02 n ASN 77 Ca 0.12 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1n02 n ASN 77 Cb 0.78 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.97 -0.52 0.00 7.41 0.00 0.27 -5.12 105.19 108.19 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 0.66 -0.23 3.07 -0.02 0.00 -1.26 -4.67 105.19 102.73 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 0.96 -0.21 1.61 2.02 -1.26 -2.73 117.35 117.74 1n02 s TYR 80 Ca 0.00 -0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 1n02 s TYR 80 Cb 0.00 -0.60 0.07 0.00 -0.40 0.00 0.00 41.96 41.03 1n02 s TYR 80 CO 0.00 -0.01 0.50 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.56 -0.63 -0.05 2.29 3.84 0.16 -4.92 114.94 115.07 1n02 s ASN 81 Ca 0.02 1.11 -0.18 0.00 0.21 0.00 0.00 52.86 54.02 1n02 s ASN 81 Cb -0.05 1.08 -0.05 0.00 -0.55 0.00 0.00 41.25 41.68 1n02 s ASN 81 CO 0.00 -0.21 0.48 0.28 -2.79 0.00 0.00 177.10 174.86 1n02 s THR 82 N 1.69 5.07 0.25 -5.21 -1.32 -1.26 0.01 115.64 114.87 1n02 s THR 82 Ca -0.09 0.98 0.12 0.00 -1.21 0.00 0.00 61.69 61.49 1n02 s THR 82 Cb -0.08 -3.81 -0.05 0.00 -1.51 0.00 0.00 72.50 67.05 1n02 s THR 82 CO -0.15 0.43 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.55 1n02 s SER 83 N -0.09 3.64 0.02 8.08 1.04 -0.68 -4.93 113.70 120.78 1n02 s SER 83 Ca 0.26 -0.94 0.09 0.00 0.48 0.00 0.00 55.95 55.84 1n02 s SER 83 Cb -0.16 -0.34 -0.03 0.00 0.10 0.00 0.00 66.02 65.59 1n02 s SER 83 CO 0.13 0.06 -0.26 -0.94 0.98 0.00 0.00 173.24 173.21 1n02 s SER 84 N -3.28 3.10 -0.06 7.02 1.04 -1.26 -3.12 113.70 117.15 1n02 s SER 84 Ca 0.27 -0.54 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 1n02 s SER 84 Cb -0.06 -0.30 0.02 0.00 0.10 0.00 0.00 66.02 65.78 1n02 s SER 84 CO 0.14 0.28 0.27 -0.51 0.98 0.00 0.00 173.24 174.40 1n02 s ILE 85 N -0.73 0.03 -0.27 -1.02 -1.16 -1.10 -4.94 121.20 112.02 1n02 s ILE 85 Ca 0.11 -0.27 -0.10 0.00 -0.51 0.00 0.00 60.65 59.88 1n02 s ILE 85 Cb -0.10 -0.48 -0.05 0.00 0.61 0.00 0.00 42.46 42.44 1n02 s ILE 85 CO 0.01 -0.15 0.17 -0.62 -2.81 0.00 0.00 174.94 171.54 1n02 s ASP 86 N -0.59 5.92 0.00 4.50 -1.08 -1.26 -0.96 116.67 123.20 1n02 s ASP 86 Ca -0.07 -0.02 0.21 0.00 -0.52 0.00 0.00 52.55 52.15 1n02 s ASP 86 Cb -0.04 -2.09 0.05 0.00 -1.46 0.00 0.00 42.92 39.38 1n02 s ASP 86 CO 0.02 -0.03 1.06 0.18 0.52 0.00 0.00 175.17 176.92 1n02 n LEU 87 N 4.93 2.18 -0.23 -1.34 4.77 -0.81 -4.54 117.00 121.95 1n02 n LEU 87 Ca -0.14 -0.84 0.31 0.00 -0.03 0.00 0.00 56.01 55.31 1n02 n LEU 87 Cb 0.52 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.25 1n02 n LEU 87 CO 0.33 0.39 1.29 -1.13 -1.33 0.00 0.00 177.39 176.94 1n02 h ASN 88 N 2.86 0.00 0.20 -1.43 -0.00 -1.87 0.19 115.58 115.53 1n02 h ASN 88 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.30 56.03 1n02 h ASN 88 Cb 0.75 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 39.10 1n02 h ASN 88 CO 0.00 0.00 -1.18 0.28 -0.00 0.00 0.00 177.43 176.53 1n02 h SER 89 N 0.00 0.67 0.12 1.15 0.02 -1.80 -2.97 113.55 110.74 1n02 h SER 89 Ca 0.50 -0.94 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1n02 h SER 89 Cb 2.45 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.77 1n02 h SER 89 CO -0.01 1.57 -0.06 -0.37 -1.14 0.00 0.00 176.83 176.82 1n02 h VAL 90 N -0.10 1.04 -3.96 2.27 -1.51 -0.92 -2.91 116.25 110.16 1n02 h VAL 90 Ca -0.21 -1.14 -0.46 0.00 -1.23 0.00 0.00 66.70 63.67 1n02 h VAL 90 Cb 1.92 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.76 1n02 h VAL 90 CO 0.22 0.25 0.32 -0.63 -1.23 0.00 0.00 177.57 176.50 1n02 s ILE 91 N -3.74 4.34 0.16 7.19 1.09 -0.88 -0.35 121.20 129.01 1n02 s ILE 91 Ca -0.14 1.58 -0.01 0.00 -1.10 0.00 0.00 60.65 60.98 1n02 s ILE 91 Cb 0.01 -3.76 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 1n02 s ILE 91 CO 0.55 -0.12 0.08 -0.70 -0.10 0.00 0.00 174.94 174.66 1n02 s GLU 92 N -2.70 1.06 -0.49 2.79 2.12 0.32 -3.32 118.70 118.47 1n02 s GLU 92 Ca 0.56 -1.53 -0.10 0.00 0.36 0.00 0.00 54.97 54.26 1n02 s GLU 92 Cb -0.13 0.20 0.12 0.00 0.26 0.00 0.00 34.13 34.59 1n02 s GLU 92 CO 0.18 -0.30 0.38 1.21 -0.54 0.00 0.00 175.26 176.19 1n02 s ASN 93 N -3.11 5.79 -0.68 -1.70 2.47 -1.26 -0.68 114.94 115.77 1n02 s ASN 93 Ca 0.30 -1.94 -0.15 0.00 0.42 0.00 0.00 52.86 51.49 1n02 s ASN 93 Cb 0.07 -2.04 0.18 0.00 -1.45 0.00 0.00 41.25 38.01 1n02 s ASN 93 CO 0.06 -0.71 0.63 -0.69 -3.72 0.00 0.00 177.10 172.67 1n02 s VAL 94 N 1.33 5.37 -1.41 -5.21 1.01 0.78 -4.52 120.40 117.74 1n02 s VAL 94 Ca 0.06 -2.02 -0.03 0.00 0.00 0.00 0.00 61.98 59.99 1n02 s VAL 94 Cb -0.26 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.76 1n02 s VAL 94 CO -0.00 -0.95 0.27 -0.67 0.00 0.00 0.00 175.10 173.75 1n02 n ASP 95 N 4.57 -4.95 0.00 3.32 2.03 -1.26 -1.89 116.55 118.37 1n02 n ASP 95 Ca 0.00 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1n02 n ASP 95 Cb 0.43 -4.09 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 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 -1.13 1.24 2.83 0.27 0.00 -1.25 -4.64 105.19 102.51 1n02 n GLY 96 Ca -0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.39 0.19 -0.16 1.61 0.15 -0.79 -4.50 113.70 107.80 1n02 s SER 97 Ca 0.00 -0.00 -0.29 0.00 0.70 0.00 0.00 55.95 56.36 1n02 s SER 97 Cb 0.00 -0.09 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1n02 s SER 97 CO 0.00 -0.06 1.40 -0.76 1.20 0.00 0.00 173.24 175.02 1n02 s LEU 98 N 0.61 4.14 -0.01 3.45 1.43 -1.25 -0.16 118.68 126.90 1n02 s LEU 98 Ca -0.05 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 1n02 s LEU 98 Cb -0.08 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1n02 s LEU 98 CO -0.01 -0.90 -0.20 -0.54 0.23 0.00 0.00 176.35 174.93 1n02 s LYS 99 N 3.85 1.59 0.22 1.70 1.02 0.14 -4.81 119.74 123.44 1n02 s LYS 99 Ca 0.61 -0.73 -0.22 0.00 0.02 0.00 0.00 55.97 55.65 1n02 s LYS 99 Cb -0.24 -1.55 -0.08 0.00 -0.52 0.00 0.00 37.83 35.44 1n02 s LYS 99 CO 0.21 0.42 0.76 -0.47 -0.92 0.00 0.00 175.35 175.35 1n02 s TYR 100 N -0.50 3.71 0.00 3.18 6.14 -1.25 0.12 117.35 128.75 1n02 s TYR 100 Ca 0.08 1.48 0.00 0.00 0.64 0.00 0.00 57.07 59.27 1n02 s TYR 100 Cb -0.08 -2.68 0.00 0.00 0.42 0.00 0.00 41.96 39.62 1n02 s TYR 100 CO -0.01 0.36 0.00 -1.91 0.64 0.00 0.00 175.55 174.64