#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 -0.83 0.00 0.99 2.34 -1.24 -5.07 118.68 114.86 1n02 s LEU 1 Ca 0.00 1.41 0.00 0.00 0.06 0.00 0.00 54.13 55.60 1n02 s LEU 1 Cb 0.00 2.18 0.00 0.00 -0.56 0.00 0.00 46.19 47.81 1n02 s LEU 1 CO 0.00 -0.23 0.00 0.61 -1.06 0.00 0.00 176.35 175.67 1n02 n GLY 2 N 4.49 3.92 2.80 -3.48 0.00 -0.94 -4.53 105.19 107.46 1n02 n GLY 2 Ca -0.19 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1n02 n GLY 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n02 s LYS 3 N -2.46 0.82 -0.16 1.61 -2.85 -1.08 -3.64 119.74 111.98 1n02 s LYS 3 Ca 0.00 -0.98 -0.05 0.00 -1.00 0.00 0.00 55.97 53.94 1n02 s LYS 3 Cb 0.00 -0.50 -0.23 0.00 -2.06 0.00 0.00 37.83 35.04 1n02 s LYS 3 CO 0.00 -1.26 0.18 1.97 0.10 0.00 0.00 175.35 176.35 1n02 n PHE 4 N 3.76 0.89 0.32 1.78 -1.74 -1.20 -4.14 117.46 117.12 1n02 n PHE 4 Ca 0.16 0.20 0.21 0.00 -0.56 0.00 0.00 57.45 57.46 1n02 n PHE 4 Cb 0.51 -1.11 1.07 0.00 1.52 0.00 0.00 39.48 41.46 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 0.23 117.51 123.94 1n02 h ILE 5 Ca -0.47 -0.15 -0.10 0.00 -1.37 0.00 0.00 64.86 62.77 1n02 h ILE 5 Cb 1.96 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 40.39 1n02 h ILE 5 CO 0.02 0.00 -0.49 -0.33 -3.07 0.00 0.00 178.15 174.28 1n02 h GLU 6 N 0.00 0.00 -0.05 2.19 4.39 -1.96 -3.26 114.58 115.89 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 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1n02 h GLU 6 CO 0.00 0.49 0.00 0.25 -1.16 0.00 0.00 179.01 178.59 1n02 n THR 7 N -3.31 1.64 -4.16 1.13 -2.24 -0.20 -5.03 114.28 102.10 1n02 n THR 7 Ca 0.01 -1.80 -0.13 0.00 -2.27 0.00 0.00 64.05 59.86 1n02 n THR 7 Cb 0.68 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.87 1.63 -1.20 0.00 1.70 -0.51 -4.76 118.95 112.95 1n02 s ARG 9 Ca 0.05 -1.93 -0.16 0.00 -0.47 0.00 0.00 55.73 53.22 1n02 s ARG 9 Cb -0.02 -0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 33.91 1n02 s ARG 9 CO -0.01 -0.35 0.71 0.27 -1.08 0.00 0.00 175.30 174.84 1n02 n ASN 10 N -0.82 -4.08 -4.72 -2.89 6.94 -1.26 -2.59 115.26 105.84 1n02 n ASN 10 Ca -0.02 -1.01 -0.42 0.00 -0.02 0.00 0.00 54.58 53.12 1n02 n ASN 10 Cb 0.66 -3.30 -0.04 0.00 -2.36 0.00 0.00 39.78 34.74 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 -3.57 4.55 0.19 5.53 -4.23 -1.26 -4.40 115.64 112.45 1n02 s THR 11 Ca 0.36 1.96 -0.20 0.00 -1.18 0.00 0.00 61.69 62.63 1n02 s THR 11 Cb -0.13 -4.25 0.04 0.00 1.34 0.00 0.00 72.50 69.50 1n02 s THR 11 CO 0.87 0.22 0.57 0.00 -0.54 0.00 0.00 174.62 175.74 1n02 s GLN 12 N 0.53 1.40 -0.11 3.99 -2.07 -1.00 -4.39 119.66 118.02 1n02 s GLN 12 Ca 0.51 -0.75 -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 32.19 1n02 s GLN 12 CO 0.29 -0.61 0.25 -1.17 -1.32 0.00 0.00 175.29 172.74 1n02 s LEU 13 N -2.84 4.36 0.03 2.60 2.96 -1.26 -1.31 118.68 123.23 1n02 s LEU 13 Ca 0.07 0.59 0.09 0.00 -0.22 0.00 0.00 54.13 54.66 1n02 s LEU 13 Cb -0.02 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 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 2.25 0.00 5.97 0.00 0.39 -4.88 121.76 124.96 1n02 s ALA 14 Ca 0.17 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1n02 s ALA 14 Cb -0.13 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1n02 s ALA 14 CO 0.06 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.76 1n02 n GLY 15 N 1.88 1.01 0.12 0.00 0.00 -1.26 -1.19 105.19 105.75 1n02 n GLY 15 Ca -0.17 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 6.73 0.41 -0.23 1.61 0.02 -1.97 -3.42 113.55 116.71 1n02 h SER 16 Ca 0.00 -0.66 -0.21 0.00 -0.84 0.00 0.00 61.79 60.08 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 1.57 -1.03 -1.54 -1.14 0.00 0.00 176.83 174.68 1n02 n SER 17 N -3.45 1.16 -4.48 3.07 3.41 -1.25 -4.71 113.62 107.36 1n02 n SER 17 Ca -0.22 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.07 1n02 n SER 17 Cb 1.05 -0.34 -0.12 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.01 2.02 -0.15 4.33 8.01 -0.34 0.27 118.70 130.83 1n02 s GLU 18 Ca 0.28 -1.02 0.02 0.00 0.01 0.00 0.00 54.97 54.26 1n02 s GLU 18 Cb 0.34 -2.19 0.01 0.00 -4.31 0.00 0.00 34.13 27.98 1n02 s GLU 18 CO -0.10 0.52 -0.20 -1.17 0.01 0.00 0.00 175.26 174.33 1n02 s LEU 19 N -1.68 2.20 0.02 1.80 2.96 0.77 0.15 118.68 124.90 1n02 s LEU 19 Ca 0.16 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1n02 s LEU 19 Cb -0.11 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1n02 s LEU 19 CO 0.07 0.07 -0.24 0.00 -1.32 0.00 0.00 176.35 174.93 1n02 s ALA 20 N 0.91 2.33 0.28 5.97 0.00 -0.42 0.40 121.76 131.23 1n02 s ALA 20 Ca -0.04 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 1n02 s ALA 20 Cb -0.15 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.43 1n02 s ALA 20 CO -0.03 0.54 0.78 0.00 0.00 0.00 0.00 175.76 177.04 1n02 s ALA 21 N -0.78 -1.18 -0.11 0.00 0.00 0.56 -2.37 121.76 117.88 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 23.78 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 -3.43 3.18 -0.03 0.00 2.02 -1.07 0.88 118.70 120.25 1n02 s GLU 22 Ca 0.12 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1n02 s GLU 22 Cb -0.05 -2.65 0.00 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 0.28 4.33 0.69 0.00 -2.85 -1.11 -2.35 119.74 118.72 1n02 s LYS 24 Ca -0.05 2.21 -0.07 0.00 -1.00 0.00 0.00 55.97 57.05 1n02 s LYS 24 Cb -0.10 -3.13 0.15 0.00 -2.06 0.00 0.00 37.83 32.69 1n02 s LYS 24 CO 0.01 -0.31 0.94 0.25 0.10 0.00 0.00 175.35 176.34 1n02 n THR 25 N 2.06 0.00 0.25 3.79 -2.24 0.32 -3.96 114.28 114.50 1n02 n THR 25 Ca 0.05 -1.01 0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1n02 n THR 25 Cb 0.41 -1.32 0.63 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.05 -0.78 2.47 -1.88 -1.46 114.38 112.69 1n02 h ARG 26 Ca -0.31 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 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 0.26 0.06 0.00 0.00 0.56 0.00 0.00 179.97 180.85 1n02 n ALA 27 N -2.50 2.51 -2.89 0.04 0.00 -1.26 -4.86 120.51 111.56 1n02 n ALA 27 Ca -0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1n02 n ALA 27 Cb 0.14 -1.06 0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.41 -3.83 -5.18 0.00 6.02 -0.55 -5.02 117.38 108.42 1n02 n GLN 28 Ca 0.05 0.60 -0.32 0.00 -0.01 0.00 0.00 57.00 57.32 1n02 n GLN 28 Cb 0.06 -4.85 -0.16 0.00 1.02 0.00 0.00 30.24 26.31 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 -5.46 2.49 -0.20 -1.09 -0.21 -1.26 -4.87 119.66 109.07 1n02 s GLN 29 Ca 0.25 -0.86 -0.17 0.00 0.02 0.00 0.00 55.36 54.60 1n02 s GLN 29 Cb -0.11 -2.20 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1n02 s GLN 29 CO 0.31 0.46 0.46 -0.06 -2.12 0.00 0.00 175.29 174.34 1n02 s PHE 30 N -0.34 3.37 0.07 0.91 0.40 -1.26 0.12 117.98 121.25 1n02 s PHE 30 Ca 0.02 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.10 1n02 s PHE 30 Cb -0.12 -2.60 -0.03 0.00 0.51 0.00 0.00 43.02 40.78 1n02 s PHE 30 CO 0.02 -0.05 -0.15 0.14 0.70 0.00 0.00 175.22 175.88 1n02 s VAL 31 N 1.46 1.18 0.20 -0.44 -7.23 -0.99 -4.92 120.40 109.66 1n02 s VAL 31 Ca 0.21 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 1n02 s VAL 31 Cb -0.15 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 1n02 s VAL 31 CO 0.09 -0.19 1.25 -0.94 -0.31 0.00 0.00 175.10 175.00 1n02 s SER 32 N -1.72 6.99 0.08 4.85 1.04 -1.26 -0.78 113.70 122.90 1n02 s SER 32 Ca -0.01 2.33 -0.04 0.00 0.48 0.00 0.00 55.95 58.72 1n02 s SER 32 Cb -0.10 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.38 1n02 s SER 32 CO 0.02 -0.45 0.07 0.28 0.98 0.00 0.00 173.24 174.15 1n02 s THR 33 N -0.05 0.17 0.05 2.02 -1.32 0.25 -4.90 115.64 111.86 1n02 s THR 33 Ca 0.54 -1.62 -0.04 0.00 -1.21 0.00 0.00 61.69 59.36 1n02 s THR 33 Cb -0.35 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.03 1n02 s THR 33 CO 0.38 -0.75 0.05 -0.75 -2.21 0.00 0.00 174.62 171.34 1n02 s LYS 34 N -3.93 0.59 -0.03 7.08 2.20 -1.26 -0.33 119.74 124.06 1n02 s LYS 34 Ca 0.10 -0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1n02 s LYS 34 Cb 0.07 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 1n02 s LYS 34 CO -0.07 -0.14 0.04 -1.50 -0.36 0.00 0.00 175.35 173.32 1n02 s ILE 35 N -3.09 -0.03 -0.24 5.43 1.10 0.16 -4.38 121.20 120.15 1n02 s ILE 35 Ca -0.01 0.29 -0.22 0.00 -0.51 0.00 0.00 60.65 60.20 1n02 s ILE 35 Cb 0.02 -0.15 -0.01 0.00 0.15 0.00 0.00 42.46 42.46 1n02 s ILE 35 CO -0.07 0.14 0.71 0.21 -2.11 0.00 0.00 174.94 173.83 1n02 s ASN 36 N 1.59 6.69 0.13 4.50 3.84 -1.26 -0.16 114.94 130.27 1n02 s ASN 36 Ca -0.02 0.86 0.24 0.00 0.21 0.00 0.00 52.86 54.14 1n02 s ASN 36 Cb -0.13 -2.38 0.32 0.00 -0.55 0.00 0.00 41.25 38.52 1n02 s ASN 36 CO -0.03 -0.42 1.31 -0.07 -2.79 0.00 0.00 177.10 175.10 1n02 h LEU 37 N 8.96 0.00 -0.71 3.21 4.07 -0.53 -3.33 115.31 126.98 1n02 h LEU 37 Ca -0.26 -0.20 0.05 0.00 0.08 0.00 0.00 57.88 57.56 1n02 h LEU 37 Cb 1.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.80 1n02 h LEU 37 CO 0.81 0.10 0.42 -2.24 -1.08 0.00 0.00 178.44 176.46 1n02 h ASP 38 N 0.00 0.66 0.40 -0.43 2.03 -1.32 1.11 116.42 118.86 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 0.76 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1n02 h ASP 38 CO 0.00 0.44 -0.66 -0.90 -1.03 0.00 0.00 179.24 177.09 1n02 n ASP 39 N -4.71 0.63 -0.06 4.15 5.68 -1.26 -1.10 116.55 119.87 1n02 n ASP 39 Ca 0.09 -0.40 -0.06 0.00 -0.50 0.00 0.00 54.79 53.92 1n02 n ASP 39 Cb 0.14 0.46 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 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 0.03 -2.78 2.11 8.25 -0.89 -3.79 115.22 116.58 1n02 n HIS 40 Ca 0.05 0.01 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 1n02 n HIS 40 Cb 0.35 -0.35 -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 -2.25 4.26 0.20 1.59 1.09 0.38 -0.76 121.20 125.71 1n02 s ILE 41 Ca -0.19 1.63 -0.01 0.00 -1.10 0.00 0.00 60.65 60.98 1n02 s ILE 41 Cb 0.03 -3.79 -0.04 0.00 -1.06 0.00 0.00 42.46 37.59 1n02 s ILE 41 CO 0.28 -0.09 0.14 0.00 -0.10 0.00 0.00 174.94 175.18 1n02 s ALA 42 N -1.88 1.12 -0.29 9.38 0.00 0.28 -3.74 121.76 126.63 1n02 s ALA 42 Ca 0.56 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1n02 s ALA 42 Cb -0.14 1.38 0.04 0.00 0.00 0.00 0.00 23.12 24.39 1n02 s ALA 42 CO 0.19 -0.60 0.01 1.21 0.00 0.00 0.00 175.76 176.57 1n02 s ASN 43 N -3.16 4.85 -0.65 0.00 2.47 -1.26 -1.64 114.94 115.56 1n02 s ASN 43 Ca 0.38 -1.09 -0.03 0.00 0.42 0.00 0.00 52.86 52.55 1n02 s ASN 43 Cb 0.07 -1.75 0.17 0.00 -1.45 0.00 0.00 41.25 38.29 1n02 s ASN 43 CO 0.12 -0.23 0.47 -0.63 -3.72 0.00 0.00 177.10 173.11 1n02 s ILE 44 N 1.32 3.76 -0.81 -5.21 1.09 -0.18 -4.65 121.20 116.52 1n02 s ILE 44 Ca -0.02 -3.05 -0.05 0.00 -1.10 0.00 0.00 60.65 56.43 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 0.60 -0.67 -0.10 0.00 0.00 174.94 173.87 1n02 n ASP 45 N 3.37 -4.45 0.00 3.58 -0.08 -1.26 -2.68 116.55 115.03 1n02 n ASP 45 Ca 0.09 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1n02 n ASP 45 Cb 0.38 -3.10 0.00 0.00 2.34 0.00 0.00 41.12 40.74 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 0.90 3.57 0.27 0.00 -1.12 -4.36 105.19 103.13 1n02 n GLY 46 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.56 3.98 -0.27 2.61 2.01 -1.09 -4.51 115.64 114.80 1n02 s THR 47 Ca 0.00 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 1n02 s THR 47 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.82 1n02 s THR 47 CO 0.00 0.55 1.19 -0.76 -0.69 0.00 0.00 174.62 174.91 1n02 s LEU 48 N -0.29 3.98 0.12 4.42 1.43 -1.26 -1.01 118.68 126.07 1n02 s LEU 48 Ca 0.05 1.27 -0.00 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 -0.91 0.01 -0.54 0.23 0.00 0.00 176.35 175.16 1n02 s LYS 49 N 3.77 0.88 -0.21 1.70 1.02 -0.65 -4.89 119.74 121.36 1n02 s LYS 49 Ca 0.51 -1.40 -0.22 0.00 0.02 0.00 0.00 55.97 54.88 1n02 s LYS 49 Cb -0.16 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.19 1n02 s LYS 49 CO 0.17 -0.17 0.68 -1.58 -0.92 0.00 0.00 175.35 173.54 1n02 s TRP 50 N -3.88 3.36 -0.19 3.18 0.51 -1.26 0.10 118.94 120.76 1n02 s TRP 50 Ca 0.19 0.98 -0.30 0.00 -2.12 0.00 0.00 56.10 54.85 1n02 s TRP 50 Cb 0.07 -2.87 0.14 0.00 -0.81 0.00 0.00 33.47 30.00 1n02 s TRP 50 CO -0.01 -0.24 1.08 -0.65 -0.51 0.00 0.00 176.95 176.62 1n02 s GLN 51 N 2.17 0.47 -0.74 4.98 -0.21 0.06 -4.85 119.66 121.54 1n02 s GLN 51 Ca 0.30 0.12 -0.16 0.00 0.02 0.00 0.00 55.36 55.64 1n02 s GLN 51 Cb -0.16 0.22 -0.13 0.00 1.00 0.00 0.00 33.01 33.94 1n02 s GLN 51 CO 0.10 -0.14 1.92 -0.35 -2.12 0.00 0.00 175.29 174.70 1n02 n PRO 52 N 0.71 1.54 -3.66 2.91 -0.04 -1.25 -3.92 135.00 131.29 1n02 n PRO 52 Ca -0.08 -1.62 -0.11 0.00 -0.04 0.00 0.00 63.50 61.65 1n02 n PRO 52 Cb 0.58 -2.71 -0.08 0.00 -0.04 0.00 0.00 33.50 31.25 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 4.61 -0.76 -0.48 3.54 1.04 -1.25 -4.99 113.70 115.42 1n02 s SER 53 Ca 0.50 1.32 -0.28 0.00 0.48 0.00 0.00 55.95 57.97 1n02 s SER 53 Cb 0.12 1.26 0.03 0.00 0.10 0.00 0.00 66.02 67.53 1n02 s SER 53 CO 0.08 -0.22 1.08 0.20 0.98 0.00 0.00 173.24 175.35 1n02 s ASN 54 N 1.01 6.58 0.55 7.02 0.01 -0.26 -3.17 114.94 126.68 1n02 s ASN 54 Ca -0.05 0.34 0.36 0.00 -0.71 0.00 0.00 52.86 52.80 1n02 s ASN 54 Cb -0.05 -2.52 1.53 0.00 0.41 0.00 0.00 41.25 40.62 1n02 s ASN 54 CO -0.09 -1.20 1.81 2.19 -1.51 0.00 0.00 177.10 178.29 1n02 h PHE 55 N 9.20 0.00 0.00 2.20 -0.00 -1.78 -0.86 116.94 125.70 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 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.01 1n02 h PHE 55 CO 0.95 0.00 0.56 0.66 -0.00 0.00 0.00 178.31 180.48 1n02 h SER 56 N 0.00 0.00 0.19 -0.68 4.64 -1.89 -0.01 113.55 115.80 1n02 h SER 56 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 1n02 h SER 56 Cb 2.18 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.27 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 4.20 -1.57 -3.15 115.11 119.36 1n02 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n02 h GLN 57 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1n02 h GLN 57 CO 0.00 0.06 0.00 0.25 -0.67 0.00 0.00 178.83 178.47 1n02 n THR 58 N -3.71 0.08 -4.30 -0.54 -2.24 -0.08 -5.07 114.28 98.42 1n02 n THR 58 Ca -0.02 -0.21 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 1n02 n THR 58 Cb 0.16 1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.16 0.41 -0.95 0.00 1.13 0.68 -4.64 117.35 112.81 1n02 s TYR 60 Ca 0.20 -0.83 -0.00 0.00 -1.41 0.00 0.00 57.07 55.03 1n02 s TYR 60 Cb -0.11 -0.30 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1n02 s TYR 60 CO 0.12 -0.29 0.80 0.09 -2.51 0.00 0.00 175.55 173.75 1n02 n ASN 61 N 0.78 -2.16 -4.74 -0.18 3.02 -1.26 -2.73 115.26 107.99 1n02 n ASN 61 Ca -0.18 -0.49 -0.41 0.00 -0.03 0.00 0.00 54.58 53.47 1n02 n ASN 61 Cb 0.58 -4.16 -0.03 0.00 -0.61 0.00 0.00 39.78 35.56 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 -4.04 7.01 0.02 6.41 0.01 -1.26 -4.17 113.70 117.67 1n02 s SER 62 Ca 0.02 2.32 -0.04 0.00 1.31 0.00 0.00 55.95 59.55 1n02 s SER 62 Cb -0.01 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1n02 s SER 62 CO 0.58 -0.43 0.07 0.00 0.41 0.00 0.00 173.24 173.87 1n02 s ALA 63 N -0.08 -0.08 -0.01 1.44 0.00 0.36 -4.95 121.76 118.44 1n02 s ALA 63 Ca 0.54 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1n02 s ALA 63 Cb -0.34 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1n02 s ALA 63 CO 0.38 -0.24 -0.13 0.42 0.00 0.00 0.00 175.76 176.19 1n02 s ILE 64 N -1.90 1.04 -0.18 0.00 1.01 -1.26 0.13 121.20 120.04 1n02 s ILE 64 Ca -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1n02 s ILE 64 Cb -0.06 -0.87 0.06 0.00 0.01 0.00 0.00 42.46 41.60 1n02 s ILE 64 CO -0.02 0.27 0.05 -1.10 0.00 0.00 0.00 174.94 174.15 1n02 s GLN 65 N -0.38 0.43 7.86 2.79 -0.21 -0.52 -4.54 119.66 125.09 1n02 s GLN 65 Ca 0.05 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.16 1n02 s GLN 65 Cb -0.05 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.02 1n02 s GLN 65 CO -0.00 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 172.95 1n02 n GLY 66 N 5.14 3.39 0.60 3.09 0.00 -1.26 -2.13 105.19 114.02 1n02 n GLY 66 Ca -0.08 -0.12 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 8.39 2.23 -4.80 1.61 3.41 -1.26 -4.74 113.62 118.46 1n02 n SER 67 Ca 0.00 -1.61 -0.36 0.00 -0.26 0.00 0.00 58.87 56.64 1n02 n SER 67 Cb 0.00 0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.17 5.01 -0.21 -3.33 1.01 -0.90 -1.59 120.40 118.21 1n02 s VAL 68 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1n02 s VAL 68 Cb 0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1n02 s VAL 68 CO 0.45 0.58 0.10 -0.22 0.00 0.00 0.00 175.10 176.00 1n02 s LEU 69 N -1.07 3.86 -0.17 3.92 2.96 -0.34 -1.44 118.68 126.40 1n02 s LEU 69 Ca 0.16 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1n02 s LEU 69 Cb -0.12 -2.00 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 1n02 s LEU 69 CO 0.05 0.11 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.17 1n02 s THR 70 N 0.79 2.85 0.03 3.68 2.01 0.35 -2.78 115.64 122.56 1n02 s THR 70 Ca 0.05 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 1n02 s THR 70 Cb -0.13 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.18 1n02 s THR 70 CO 0.02 0.50 0.37 -0.55 -0.69 0.00 0.00 174.62 174.27 1n02 s SER 71 N 0.96 -0.23 -0.20 3.53 0.15 -1.19 0.14 113.70 116.86 1n02 s SER 71 Ca -0.02 -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 64.51 1n02 s SER 71 CO -0.01 -0.60 0.39 -0.89 1.20 0.00 0.00 173.24 173.32 1n02 s THR 72 N -2.22 5.21 0.02 6.45 2.01 -1.10 -1.68 115.64 124.32 1n02 s THR 72 Ca -0.07 0.70 0.06 0.00 0.31 0.00 0.00 61.69 62.69 1n02 s THR 72 Cb -0.02 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1n02 s THR 72 CO -0.01 0.26 -0.19 0.00 -0.69 0.00 0.00 174.62 174.00 1n02 s GLU 74 N -0.92 4.68 0.08 0.00 2.12 0.32 0.70 118.70 125.69 1n02 s GLU 74 Ca 0.06 1.73 -0.11 0.00 0.36 0.00 0.00 54.97 57.01 1n02 s GLU 74 Cb -0.08 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 1n02 s GLU 74 CO 0.01 0.26 0.42 1.03 -0.54 0.00 0.00 175.26 176.44 1n02 s ARG 75 N -1.27 3.80 0.56 4.30 0.52 -1.08 -2.78 118.95 123.01 1n02 s ARG 75 Ca 0.44 0.24 0.30 0.00 -0.52 0.00 0.00 55.73 56.19 1n02 s ARG 75 Cb -0.30 -3.01 1.46 0.00 0.52 0.00 0.00 34.95 33.62 1n02 s ARG 75 CO 0.38 0.56 1.90 1.15 0.02 0.00 0.00 175.30 179.31 1n02 h THR 76 N 2.93 0.50 -0.03 0.02 2.02 -1.93 0.75 112.91 117.17 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 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1n02 h THR 76 CO 0.66 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.35 1n02 n ASN 77 N -4.06 0.50 0.00 4.18 5.15 -1.26 -4.99 115.26 114.78 1n02 n ASN 77 Ca 0.14 -1.32 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 1n02 n ASN 77 Cb 0.81 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 40.05 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 0.98 0.01 0.00 8.20 0.00 0.26 -5.13 105.19 109.51 1n02 n GLY 78 Ca 0.19 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 1.10 -0.09 3.08 -0.02 0.00 -1.26 -4.67 105.19 103.32 1n02 n GLY 79 Ca 0.00 -2.27 -0.20 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 -0.08 1.05 -0.20 1.61 2.02 -1.26 -2.62 117.35 117.87 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 -0.66 0.07 0.00 -0.40 0.00 0.00 41.96 40.97 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 -0.54 -0.64 -0.06 2.29 2.47 0.22 -4.91 114.94 113.77 1n02 s ASN 81 Ca 0.03 1.09 -0.16 0.00 0.42 0.00 0.00 52.86 54.24 1n02 s ASN 81 Cb -0.05 0.99 -0.05 0.00 -1.45 0.00 0.00 41.25 40.69 1n02 s ASN 81 CO 0.00 -0.21 0.44 0.28 -3.72 0.00 0.00 177.10 173.89 1n02 s THR 82 N 1.54 5.10 0.24 -5.21 -1.32 -1.26 0.67 115.64 115.40 1n02 s THR 82 Ca -0.09 0.88 0.11 0.00 -1.21 0.00 0.00 61.69 61.38 1n02 s THR 82 Cb -0.08 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.11 1n02 s THR 82 CO -0.15 0.45 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.58 1n02 s SER 83 N -0.21 3.26 0.04 8.08 1.04 -0.68 -4.92 113.70 120.31 1n02 s SER 83 Ca 0.24 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1n02 s SER 83 Cb -0.16 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.69 1n02 s SER 83 CO 0.11 0.00 -0.24 -0.44 0.98 0.00 0.00 173.24 173.66 1n02 s SER 84 N -3.24 2.87 -0.05 7.02 0.01 -1.26 -3.14 113.70 115.92 1n02 s SER 84 Ca 0.25 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 1n02 s SER 84 Cb -0.05 -0.26 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1n02 s SER 84 CO 0.12 0.23 0.17 -0.51 0.41 0.00 0.00 173.24 173.66 1n02 s ILE 85 N -0.77 0.03 -0.33 1.44 2.07 -1.12 -4.90 121.20 117.62 1n02 s ILE 85 Ca 0.10 -0.21 -0.15 0.00 -1.41 0.00 0.00 60.65 58.98 1n02 s ILE 85 Cb -0.09 -0.32 -0.02 0.00 0.13 0.00 0.00 42.46 42.16 1n02 s ILE 85 CO 0.02 -0.11 0.36 -0.62 -1.91 0.00 0.00 174.94 172.67 1n02 s ASP 86 N -0.36 6.19 0.00 4.50 2.15 -1.26 -1.19 116.67 126.69 1n02 s ASP 86 Ca -0.05 -0.13 0.23 0.00 0.43 0.00 0.00 52.55 53.03 1n02 s ASP 86 Cb -0.03 -2.20 0.10 0.00 -0.30 0.00 0.00 42.92 40.49 1n02 s ASP 86 CO 0.01 -0.30 1.14 0.18 -0.17 0.00 0.00 175.17 176.03 1n02 n LEU 87 N 5.37 1.43 -0.27 -1.34 4.77 -0.62 -4.45 117.00 121.88 1n02 n LEU 87 Ca -0.09 -0.53 0.33 0.00 -0.03 0.00 0.00 56.01 55.69 1n02 n LEU 87 Cb 0.50 -0.04 0.67 0.00 -2.33 0.00 0.00 43.42 42.21 1n02 n LEU 87 CO 0.40 0.29 1.31 -1.13 -1.33 0.00 0.00 177.39 176.92 1n02 h ASN 88 N 1.30 0.00 0.21 -1.43 -0.00 -1.87 0.24 115.58 114.03 1n02 h ASN 88 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.30 55.99 1n02 h ASN 88 Cb 0.62 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 38.96 1n02 h ASN 88 CO 0.00 0.00 -1.43 0.28 -0.00 0.00 0.00 177.43 176.28 1n02 h SER 89 N 0.00 0.69 0.05 1.15 0.02 -1.78 -2.87 113.55 110.81 1n02 h SER 89 Ca 0.53 -0.93 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1n02 h SER 89 Cb 2.51 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.83 1n02 h SER 89 CO -0.01 1.67 -0.02 -0.37 -1.14 0.00 0.00 176.83 176.96 1n02 h VAL 90 N 0.01 1.29 -3.82 2.27 -1.51 -0.80 -2.49 116.25 111.20 1n02 h VAL 90 Ca -0.26 -1.28 -0.48 0.00 -1.23 0.00 0.00 66.70 63.45 1n02 h VAL 90 Cb 2.03 2.12 -0.02 0.00 -2.13 0.00 0.00 31.29 33.28 1n02 h VAL 90 CO 0.21 0.31 0.23 -0.63 -1.23 0.00 0.00 177.57 176.46 1n02 s ILE 91 N -3.82 4.47 0.17 7.19 1.09 -0.69 -3.97 121.20 125.62 1n02 s ILE 91 Ca -0.16 1.38 -0.00 0.00 -1.10 0.00 0.00 60.65 60.77 1n02 s ILE 91 Cb 0.01 -3.75 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 1n02 s ILE 91 CO 0.63 -0.06 0.06 -0.70 -0.10 0.00 0.00 174.94 174.77 1n02 s GLU 92 N -2.61 1.07 -0.47 2.79 2.12 0.39 -3.27 118.70 118.72 1n02 s GLU 92 Ca 0.53 -1.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.25 1n02 s GLU 92 Cb -0.13 0.09 0.12 0.00 0.26 0.00 0.00 34.13 34.47 1n02 s GLU 92 CO 0.18 -0.26 0.33 1.21 -0.54 0.00 0.00 175.26 176.18 1n02 s ASN 93 N -3.12 5.65 -0.64 -1.70 2.47 -1.26 -0.46 114.94 115.88 1n02 s ASN 93 Ca 0.28 -1.95 -0.16 0.00 0.42 0.00 0.00 52.86 51.45 1n02 s ASN 93 Cb 0.07 -1.99 0.15 0.00 -1.45 0.00 0.00 41.25 38.03 1n02 s ASN 93 CO 0.05 -0.67 0.64 -0.69 -3.72 0.00 0.00 177.10 172.71 1n02 s VAL 94 N 1.30 5.20 -1.28 -5.21 1.01 0.88 -4.51 120.40 117.79 1n02 s VAL 94 Ca 0.06 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1n02 s VAL 94 Cb -0.26 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.73 1n02 s VAL 94 CO -0.01 -1.00 0.31 -0.67 0.00 0.00 0.00 175.10 173.73 1n02 n ASP 95 N 5.23 -4.37 0.00 3.32 2.03 -1.26 -1.77 116.55 119.74 1n02 n ASP 95 Ca -0.04 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1n02 n ASP 95 Cb 0.43 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 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 -1.10 1.36 2.86 0.27 0.00 -1.25 -4.65 105.19 102.68 1n02 n GLY 96 Ca -0.09 -0.31 -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 -1.35 0.00 0.00 0.00 173.32 171.97 1n02 s SER 97 N -2.34 -0.01 -0.16 1.61 1.04 -0.73 -4.54 113.70 108.57 1n02 s SER 97 Ca 0.00 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.24 1n02 s SER 97 Cb 0.00 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 1n02 s SER 97 CO 0.00 -0.08 1.37 -0.76 0.98 0.00 0.00 173.24 174.75 1n02 s LEU 98 N 0.57 4.16 -0.02 2.42 1.43 -1.25 -0.08 118.68 125.91 1n02 s LEU 98 Ca -0.05 1.74 0.06 0.00 -1.03 0.00 0.00 54.13 54.86 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 -0.86 -0.19 -0.54 0.23 0.00 0.00 176.35 174.97 1n02 s LYS 99 N 3.75 1.61 -0.13 1.70 1.02 0.39 -4.81 119.74 123.26 1n02 s LYS 99 Ca 0.60 -0.68 -0.18 0.00 0.02 0.00 0.00 55.97 55.72 1n02 s LYS 99 Cb -0.24 -1.53 -0.16 0.00 -0.52 0.00 0.00 37.83 35.39 1n02 s LYS 99 CO 0.19 0.39 0.45 -0.92 -0.92 0.00 0.00 175.35 174.55 1n02 h TYR 100 N 5.74 0.00 -0.03 3.18 5.03 -1.88 1.13 116.97 130.14 1n02 h TYR 100 Ca -0.37 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.94 1n02 h TYR 100 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.43 1n02 h TYR 100 CO 0.40 0.64 0.00 -1.91 -1.32 0.00 0.00 178.16 175.97