#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 -0.04 0.00 0.99 0.05 -1.26 -5.11 118.68 113.31 1n02 s LEU 1 Ca 0.00 -0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.00 1n02 s LEU 1 Cb 0.00 1.41 0.00 0.00 -2.05 0.00 0.00 46.19 45.55 1n02 s LEU 1 CO 0.00 -0.34 0.00 0.61 -0.55 0.00 0.00 176.35 176.07 1n02 n GLY 2 N -0.59 1.32 2.98 -3.48 0.00 -1.26 -4.46 105.19 99.71 1n02 n GLY 2 Ca -0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 1n02 n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n02 n LYS 3 N 0.07 -1.61 -0.03 1.61 4.76 0.48 -4.57 118.16 118.87 1n02 n LYS 3 Ca 0.00 1.07 -0.21 0.00 -2.87 0.00 0.00 58.31 56.30 1n02 n LYS 3 Cb 0.00 -5.34 -0.13 0.00 -1.84 0.00 0.00 35.03 27.72 1n02 n LYS 3 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 1n02 n PHE 4 N -2.39 1.00 0.32 2.13 -1.74 -1.24 -4.09 117.46 111.46 1n02 n PHE 4 Ca -0.03 0.24 0.20 0.00 -0.56 0.00 0.00 57.45 57.30 1n02 n PHE 4 Cb 0.56 -1.13 1.04 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 -0.12 0.12 0.00 1.97 6.09 -1.87 0.72 117.51 124.42 1n02 h ILE 5 Ca -0.45 -0.16 -0.05 0.00 -1.37 0.00 0.00 64.86 62.83 1n02 h ILE 5 Cb 1.90 1.14 -0.01 0.00 0.47 0.00 0.00 36.82 40.32 1n02 h ILE 5 CO 0.00 0.01 -0.26 -0.33 -3.07 0.00 0.00 178.15 174.51 1n02 h GLU 6 N 0.00 0.00 -0.00 2.19 4.39 -1.97 -3.22 114.58 115.97 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 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1n02 h GLU 6 CO 0.00 0.26 -0.02 0.25 -1.16 0.00 0.00 179.01 178.34 1n02 n THR 7 N -3.40 0.00 -4.10 1.13 -2.24 -0.22 -5.04 114.28 100.40 1n02 n THR 7 Ca 0.00 -0.49 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1n02 n THR 7 Cb 0.46 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.65 1.67 -1.22 0.00 1.70 0.04 -4.73 118.95 113.77 1n02 s ARG 9 Ca 0.29 -1.96 -0.20 0.00 -0.47 0.00 0.00 55.73 53.39 1n02 s ARG 9 Cb -0.11 -0.50 0.01 0.00 -0.57 0.00 0.00 34.95 33.78 1n02 s ARG 9 CO 0.21 -0.35 0.67 0.27 -1.08 0.00 0.00 175.30 175.02 1n02 n ASN 10 N -0.87 -3.89 -4.72 -2.89 6.94 -1.26 -2.38 115.26 106.19 1n02 n ASN 10 Ca -0.02 -1.09 -0.42 0.00 -0.02 0.00 0.00 54.58 53.03 1n02 n ASN 10 Cb 0.66 -2.87 -0.04 0.00 -2.36 0.00 0.00 39.78 35.17 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 -3.60 4.52 0.21 5.53 -4.23 -1.26 -4.38 115.64 112.42 1n02 s THR 11 Ca 0.38 1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 62.62 1n02 s THR 11 Cb -0.16 -4.24 0.04 0.00 1.34 0.00 0.00 72.50 69.48 1n02 s THR 11 CO 0.90 0.23 0.61 0.00 -0.54 0.00 0.00 174.62 175.81 1n02 s GLN 12 N 0.47 1.46 -0.12 3.99 -2.07 -0.96 -4.45 119.66 117.97 1n02 s GLN 12 Ca 0.50 -0.75 -0.11 0.00 -1.82 0.00 0.00 55.36 53.19 1n02 s GLN 12 Cb -0.24 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1n02 s GLN 12 CO 0.30 -0.64 0.24 -1.17 -1.32 0.00 0.00 175.29 172.69 1n02 s LEU 13 N -2.84 4.34 0.05 2.60 2.96 -1.26 -1.39 118.68 123.14 1n02 s LEU 13 Ca 0.06 0.55 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 -0.04 0.27 -0.25 0.00 -1.32 0.00 0.00 176.35 175.02 1n02 s ALA 14 N -0.42 2.34 0.00 5.97 0.00 0.32 -4.89 121.76 125.08 1n02 s ALA 14 Ca 0.16 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1n02 s ALA 14 Cb -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.46 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 1.64 1.00 0.13 0.00 0.00 -1.26 -1.02 105.19 105.67 1n02 n GLY 15 Ca -0.17 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 7.29 0.46 -0.29 1.61 0.02 -1.97 -3.42 113.55 117.25 1n02 h SER 16 Ca 0.00 -0.74 -0.22 0.00 -0.84 0.00 0.00 61.79 59.99 1n02 h SER 16 Cb 0.00 -0.15 -0.38 0.00 0.14 0.00 0.00 62.40 62.01 1n02 h SER 16 CO 0.00 1.63 -1.05 -1.54 -1.14 0.00 0.00 176.83 174.73 1n02 n SER 17 N -3.48 1.24 -4.52 3.07 3.41 -1.25 -4.67 113.62 107.42 1n02 n SER 17 Ca -0.23 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.06 1n02 n SER 17 Cb 1.06 -0.37 -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 -2.54 2.01 -0.15 4.33 8.01 -0.19 -1.22 118.70 128.94 1n02 s GLU 18 Ca 0.28 -1.06 0.01 0.00 0.01 0.00 0.00 54.97 54.21 1n02 s GLU 18 Cb 0.34 -2.22 0.02 0.00 -4.31 0.00 0.00 34.13 27.95 1n02 s GLU 18 CO -0.08 0.51 -0.18 -1.17 0.01 0.00 0.00 175.26 174.35 1n02 s LEU 19 N -2.00 1.95 0.02 1.80 2.96 -0.20 0.12 118.68 123.34 1n02 s LEU 19 Ca 0.19 -0.56 0.07 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 0.10 0.01 -0.21 0.00 -1.32 0.00 0.00 176.35 174.93 1n02 s ALA 20 N 1.15 2.43 0.28 5.97 0.00 -0.49 0.07 121.76 131.17 1n02 s ALA 20 Ca -0.00 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 50.57 1n02 s ALA 20 Cb -0.14 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.36 1n02 s ALA 20 CO -0.07 0.55 0.79 0.00 0.00 0.00 0.00 175.76 177.03 1n02 s ALA 21 N -0.81 -1.18 -0.10 0.00 0.00 0.62 -2.28 121.76 118.01 1n02 s ALA 21 Ca 0.13 -0.36 0.01 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 0.03 -1.03 -0.13 -1.21 0.00 0.00 0.00 175.76 173.42 1n02 s GLU 22 N -3.33 3.12 -0.04 0.00 2.02 -1.00 0.64 118.70 120.10 1n02 s GLU 22 Ca 0.13 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.47 1n02 s GLU 22 Cb -0.05 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.62 1n02 s GLU 22 CO 0.07 0.36 -0.11 0.00 0.02 0.00 0.00 175.26 175.60 1n02 s LYS 24 N 0.44 4.27 0.64 0.00 -2.85 -1.16 -2.87 119.74 118.21 1n02 s LYS 24 Ca -0.09 2.33 -0.06 0.00 -1.00 0.00 0.00 55.97 57.15 1n02 s LYS 24 Cb -0.12 -3.06 0.14 0.00 -2.06 0.00 0.00 37.83 32.72 1n02 s LYS 24 CO 0.02 -0.36 0.88 0.25 0.10 0.00 0.00 175.35 176.24 1n02 n THR 25 N 1.36 0.00 0.25 3.79 -2.24 0.25 -4.01 114.28 113.68 1n02 n THR 25 Ca 0.03 -0.99 0.08 0.00 -2.27 0.00 0.00 64.05 60.90 1n02 n THR 25 Cb 0.41 -1.30 0.62 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.11 -0.78 3.08 -1.88 -1.22 114.38 113.47 1n02 h ARG 26 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1n02 h ARG 26 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1n02 h ARG 26 CO 0.25 0.07 0.00 0.00 -1.07 0.00 0.00 179.97 179.22 1n02 n ALA 27 N -2.50 2.50 -2.91 0.04 0.00 -1.26 -4.87 120.51 111.51 1n02 n ALA 27 Ca -0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.03 1n02 n ALA 27 Cb 0.15 -1.04 0.03 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 -0.18 -3.89 -5.05 0.00 1.13 -0.46 -5.02 117.38 103.91 1n02 n GLN 28 Ca 0.06 0.58 -0.32 0.00 -1.94 0.00 0.00 57.00 55.38 1n02 n GLN 28 Cb 0.12 -4.77 -0.15 0.00 0.11 0.00 0.00 30.24 25.55 1n02 n GLN 28 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1n02 s GLN 29 N -5.48 2.80 -0.18 -1.09 -1.52 -1.26 -4.85 119.66 108.08 1n02 s GLN 29 Ca 0.26 -0.80 -0.19 0.00 -1.95 0.00 0.00 55.36 52.68 1n02 s GLN 29 Cb -0.12 -2.35 -0.03 0.00 -0.22 0.00 0.00 33.01 30.29 1n02 s GLN 29 CO 0.32 0.38 0.54 -0.06 -0.25 0.00 0.00 175.29 176.22 1n02 s PHE 30 N -0.12 3.40 0.08 0.91 0.40 -1.26 0.85 117.98 122.24 1n02 s PHE 30 Ca -0.03 0.84 0.05 0.00 -0.60 0.00 0.00 56.93 57.19 1n02 s PHE 30 Cb -0.14 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 1n02 s PHE 30 CO 0.04 -0.08 -0.15 0.14 0.70 0.00 0.00 175.22 175.88 1n02 s VAL 31 N 1.55 1.18 0.22 -0.44 -7.23 -1.14 -4.94 120.40 109.60 1n02 s VAL 31 Ca 0.26 -1.39 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 1n02 s VAL 31 Cb -0.16 -1.18 -0.09 0.00 0.56 0.00 0.00 36.38 35.51 1n02 s VAL 31 CO 0.10 -0.25 1.20 -0.55 -0.31 0.00 0.00 175.10 175.29 1n02 s SER 32 N -1.88 7.07 0.11 4.85 0.15 -1.26 -1.29 113.70 121.45 1n02 s SER 32 Ca 0.00 2.31 -0.07 0.00 0.70 0.00 0.00 55.95 58.90 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 0.17 0.28 1.20 0.00 0.00 173.24 174.56 1n02 s THR 33 N -0.39 0.12 0.05 6.45 -1.32 0.21 -4.90 115.64 115.85 1n02 s THR 33 Ca 0.51 -1.42 -0.07 0.00 -1.21 0.00 0.00 61.69 59.50 1n02 s THR 33 Cb -0.34 -1.61 -0.01 0.00 -1.51 0.00 0.00 72.50 69.03 1n02 s THR 33 CO 0.40 -0.56 0.13 -0.75 -2.21 0.00 0.00 174.62 171.62 1n02 s LYS 34 N -3.93 0.66 -0.05 7.08 2.20 -1.26 -0.28 119.74 124.17 1n02 s LYS 34 Ca 0.12 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1n02 s LYS 34 Cb 0.05 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1n02 s LYS 34 CO -0.06 -0.18 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.23 1n02 s ILE 35 N -2.91 0.42 -0.36 5.43 1.10 0.11 -4.40 121.20 120.59 1n02 s ILE 35 Ca -0.02 -0.01 -0.23 0.00 -0.51 0.00 0.00 60.65 59.88 1n02 s ILE 35 Cb 0.01 -0.50 0.01 0.00 0.15 0.00 0.00 42.46 42.13 1n02 s ILE 35 CO -0.06 0.22 0.77 0.21 -2.11 0.00 0.00 174.94 173.97 1n02 s ASN 36 N 1.25 6.55 0.16 4.50 2.47 -1.26 -1.03 114.94 127.58 1n02 s ASN 36 Ca -0.06 0.37 0.24 0.00 0.42 0.00 0.00 52.86 53.83 1n02 s ASN 36 Cb -0.14 -2.39 0.43 0.00 -1.45 0.00 0.00 41.25 37.70 1n02 s ASN 36 CO -0.02 -0.71 1.42 -0.07 -3.72 0.00 0.00 177.10 174.00 1n02 h LEU 37 N 9.69 0.00 -0.52 3.21 4.07 -1.51 -3.31 115.31 126.93 1n02 h LEU 37 Ca -0.25 -0.14 0.06 0.00 0.08 0.00 0.00 57.88 57.64 1n02 h LEU 37 Cb 1.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.78 1n02 h LEU 37 CO 0.90 0.07 0.22 0.44 -1.08 0.00 0.00 178.44 179.00 1n02 h ASP 38 N 0.00 0.27 0.43 -0.43 5.19 -1.52 1.01 116.42 121.38 1n02 h ASP 38 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1n02 h ASP 38 Cb 0.78 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1n02 h ASP 38 CO 0.00 0.19 -0.59 -0.90 -3.12 0.00 0.00 179.24 174.82 1n02 n ASP 39 N -4.95 0.58 -0.08 6.45 5.68 -1.26 -1.68 116.55 121.29 1n02 n ASP 39 Ca 0.06 -0.35 -0.07 0.00 -0.50 0.00 0.00 54.79 53.92 1n02 n ASP 39 Cb 0.19 0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 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 -1.52 0.31 -2.85 2.11 8.25 -0.88 -3.67 115.22 116.97 1n02 n HIS 40 Ca 0.05 0.14 -0.35 0.00 -0.26 0.00 0.00 57.72 57.30 1n02 n HIS 40 Cb 0.34 -0.58 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.62 4.34 0.21 1.59 -1.09 0.35 0.13 121.20 124.10 1n02 s ILE 41 Ca -0.23 1.59 -0.01 0.00 -2.23 0.00 0.00 60.65 59.77 1n02 s ILE 41 Cb 0.03 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1n02 s ILE 41 CO 0.35 -0.04 0.13 0.00 -1.23 0.00 0.00 174.94 174.15 1n02 s ALA 42 N -1.83 1.23 -0.33 9.38 0.00 0.27 -3.62 121.76 126.86 1n02 s ALA 42 Ca 0.54 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1n02 s ALA 42 Cb -0.14 1.36 0.05 0.00 0.00 0.00 0.00 23.12 24.39 1n02 s ALA 42 CO 0.19 -0.58 0.08 1.21 0.00 0.00 0.00 175.76 176.66 1n02 s ASN 43 N -3.18 5.15 -0.73 0.00 2.47 -1.26 -1.81 114.94 115.58 1n02 s ASN 43 Ca 0.39 -1.30 -0.06 0.00 0.42 0.00 0.00 52.86 52.31 1n02 s ASN 43 Cb 0.07 -1.81 0.19 0.00 -1.45 0.00 0.00 41.25 38.25 1n02 s ASN 43 CO 0.12 -0.33 0.59 -0.63 -3.72 0.00 0.00 177.10 173.13 1n02 s ILE 44 N 1.31 4.38 -0.94 -5.21 -1.09 -0.14 -4.65 121.20 114.85 1n02 s ILE 44 Ca -0.02 -2.96 -0.06 0.00 -2.23 0.00 0.00 60.65 55.38 1n02 s ILE 44 Cb -0.20 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1n02 s ILE 44 CO 0.00 -0.95 0.76 -0.67 -1.23 0.00 0.00 174.94 172.85 1n02 n ASP 45 N 3.44 -4.96 0.00 3.58 2.03 -1.26 -2.56 116.55 116.82 1n02 n ASP 45 Ca 0.12 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1n02 n ASP 45 Cb 0.40 -3.58 0.00 0.00 -0.72 0.00 0.00 41.12 37.22 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 -1.50 0.89 3.58 0.27 0.00 -1.10 -4.31 105.19 103.02 1n02 n GLY 46 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1n02 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n02 s THR 47 N -3.56 3.93 -0.27 2.61 2.01 -1.06 -4.52 115.64 114.78 1n02 s THR 47 Ca 0.00 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1n02 s THR 47 Cb 0.00 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.85 1n02 s THR 47 CO 0.00 0.56 1.19 -0.76 -0.69 0.00 0.00 174.62 174.92 1n02 s LEU 48 N -0.40 3.98 0.12 4.42 1.43 -1.26 -0.97 118.68 126.00 1n02 s LEU 48 Ca 0.07 1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 54.43 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 -0.90 0.01 -0.54 0.23 0.00 0.00 176.35 175.17 1n02 s LYS 49 N 3.76 0.89 -0.16 1.70 -0.14 -0.75 -4.89 119.74 120.15 1n02 s LYS 49 Ca 0.51 -1.41 -0.25 0.00 -1.36 0.00 0.00 55.97 53.46 1n02 s LYS 49 Cb -0.16 0.07 -0.02 0.00 -1.68 0.00 0.00 37.83 36.05 1n02 s LYS 49 CO 0.17 -0.18 0.81 -1.58 -0.76 0.00 0.00 175.35 173.82 1n02 s TRP 50 N -3.89 3.43 -0.24 3.18 0.51 -1.26 0.96 118.94 121.63 1n02 s TRP 50 Ca 0.19 1.24 -0.28 0.00 -2.12 0.00 0.00 56.10 55.14 1n02 s TRP 50 Cb 0.07 -2.99 0.15 0.00 -0.81 0.00 0.00 33.47 29.90 1n02 s TRP 50 CO -0.01 -0.20 1.18 -1.14 -0.51 0.00 0.00 176.95 176.26 1n02 s GLN 51 N 2.00 0.34 -0.81 4.98 2.00 0.12 -4.82 119.66 123.48 1n02 s GLN 51 Ca 0.38 0.17 -0.15 0.00 -2.00 0.00 0.00 55.36 53.77 1n02 s GLN 51 Cb -0.17 0.16 -0.11 0.00 0.80 0.00 0.00 33.01 33.70 1n02 s GLN 51 CO 0.13 -0.09 1.98 -0.35 -0.50 0.00 0.00 175.29 176.46 1n02 n PRO 52 N 1.05 1.70 -3.64 1.67 -0.04 -1.24 -3.80 135.00 130.70 1n02 n PRO 52 Ca -0.08 -1.65 -0.09 0.00 -0.04 0.00 0.00 63.50 61.65 1n02 n PRO 52 Cb 0.58 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.26 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 4.34 -0.89 -0.49 3.54 1.04 -1.26 -5.00 113.70 114.99 1n02 s SER 53 Ca 0.48 1.48 -0.29 0.00 0.48 0.00 0.00 55.95 58.11 1n02 s SER 53 Cb 0.12 1.38 0.03 0.00 0.10 0.00 0.00 66.02 67.65 1n02 s SER 53 CO 0.05 -0.24 1.12 0.20 0.98 0.00 0.00 173.24 175.35 1n02 s ASN 54 N 1.36 6.60 0.54 7.02 0.01 -0.68 -3.15 114.94 126.64 1n02 s ASN 54 Ca -0.08 0.39 0.35 0.00 -0.71 0.00 0.00 52.86 52.81 1n02 s ASN 54 Cb -0.05 -2.54 1.52 0.00 0.41 0.00 0.00 41.25 40.59 1n02 s ASN 54 CO -0.15 -1.25 1.82 2.19 -1.51 0.00 0.00 177.10 178.19 1n02 h PHE 55 N 9.25 0.03 0.00 2.20 -0.00 -1.77 -0.88 116.94 125.76 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 0.47 0.66 -0.00 0.00 0.00 178.31 180.42 1n02 h SER 56 N 0.02 0.00 0.21 -0.68 4.64 -1.90 0.32 113.55 116.16 1n02 h SER 56 Ca 0.54 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.84 1n02 h SER 56 Cb 2.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1n02 h SER 56 CO -0.02 0.00 -0.10 1.56 -0.87 0.00 0.00 176.83 177.40 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 4.20 -1.57 -3.14 115.11 119.38 1n02 h GLN 57 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n02 h GLN 57 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1n02 h GLN 57 CO 0.00 0.10 0.00 0.25 -0.67 0.00 0.00 178.83 178.51 1n02 n THR 58 N -3.90 0.04 -4.30 -0.54 -2.24 0.01 -5.07 114.28 98.28 1n02 n THR 58 Ca -0.02 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.18 1n02 n THR 58 Cb 0.19 1.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.38 -1.04 0.00 1.13 0.21 -4.60 117.35 112.28 1n02 s TYR 60 Ca 0.21 -0.84 -0.05 0.00 -1.41 0.00 0.00 57.07 54.98 1n02 s TYR 60 Cb -0.11 -0.27 0.01 0.00 -1.10 0.00 0.00 41.96 40.48 1n02 s TYR 60 CO 0.12 -0.38 0.90 0.09 -2.51 0.00 0.00 175.55 173.77 1n02 n ASN 61 N 0.36 -4.58 -4.76 -0.18 3.02 -1.26 -2.81 115.26 105.05 1n02 n ASN 61 Ca -0.16 -0.44 -0.41 0.00 -0.03 0.00 0.00 54.58 53.54 1n02 n ASN 61 Cb 0.60 -4.08 -0.03 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.46 6.87 0.01 6.41 0.01 -1.26 -4.33 113.70 117.94 1n02 s SER 62 Ca 0.34 2.55 -0.06 0.00 1.31 0.00 0.00 55.95 60.09 1n02 s SER 62 Cb -0.15 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.44 1n02 s SER 62 CO 0.57 -0.49 0.10 0.00 0.41 0.00 0.00 173.24 173.83 1n02 s ALA 63 N -0.67 -0.21 -0.01 1.44 0.00 0.38 -4.97 121.76 117.73 1n02 s ALA 63 Ca 0.52 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.23 1n02 s ALA 63 Cb -0.38 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 1n02 s ALA 63 CO 0.46 -0.22 -0.14 0.42 0.00 0.00 0.00 175.76 176.27 1n02 s ILE 64 N -1.65 1.12 -0.19 0.00 1.01 -1.26 0.83 121.20 121.06 1n02 s ILE 64 Ca -0.13 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 1n02 s ILE 64 Cb -0.07 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.53 1n02 s ILE 64 CO -0.00 0.30 0.07 -1.10 0.00 0.00 0.00 174.94 174.22 1n02 s GLN 65 N -0.37 0.30 7.75 2.79 -0.21 -0.82 -4.57 119.66 124.52 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 -0.06 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.07 1n02 s GLN 65 CO -0.00 -0.70 0.00 0.41 -2.12 0.00 0.00 175.29 172.88 1n02 n GLY 66 N 5.18 3.01 0.42 3.09 0.00 -1.26 -2.52 105.19 113.11 1n02 n GLY 66 Ca -0.07 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.84 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 8.20 1.84 -4.85 1.61 3.41 -1.26 -4.75 113.62 117.81 1n02 n SER 67 Ca 0.00 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.83 1n02 n SER 67 Cb 0.00 0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 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 -2.46 5.31 -0.20 -3.33 1.01 -1.05 -2.40 120.40 117.30 1n02 s VAL 68 Ca 0.16 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1n02 s VAL 68 Cb 0.17 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1n02 s VAL 68 CO 0.58 0.58 0.06 -0.22 0.00 0.00 0.00 175.10 176.11 1n02 s LEU 69 N -1.12 3.72 -0.17 3.92 2.96 -0.80 -1.95 118.68 125.24 1n02 s LEU 69 Ca 0.16 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1n02 s LEU 69 Cb -0.12 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.62 1n02 s LEU 69 CO 0.05 0.12 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.18 1n02 s THR 70 N 0.67 2.67 0.02 3.68 2.01 0.24 -2.88 115.64 122.06 1n02 s THR 70 Ca 0.03 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.11 1n02 s THR 70 Cb -0.13 -2.14 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1n02 s THR 70 CO 0.02 0.51 0.36 -0.55 -0.69 0.00 0.00 174.62 174.26 1n02 s SER 71 N 0.98 -0.22 -0.20 3.53 0.15 -1.18 0.14 113.70 116.90 1n02 s SER 71 Ca -0.02 -0.01 -0.15 0.00 0.70 0.00 0.00 55.95 56.48 1n02 s SER 71 Cb -0.15 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 1n02 s SER 71 CO -0.03 -0.59 0.35 -0.89 1.20 0.00 0.00 173.24 173.28 1n02 s THR 72 N -2.13 5.24 0.04 6.45 2.01 -1.12 -1.73 115.64 124.39 1n02 s THR 72 Ca -0.08 0.61 0.07 0.00 0.31 0.00 0.00 61.69 62.60 1n02 s THR 72 Cb -0.02 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1n02 s THR 72 CO -0.00 0.29 -0.19 0.00 -0.69 0.00 0.00 174.62 174.02 1n02 s GLU 74 N -1.18 4.62 0.14 0.00 2.12 -0.21 0.39 118.70 124.59 1n02 s GLU 74 Ca 0.06 1.71 -0.12 0.00 0.36 0.00 0.00 54.97 56.98 1n02 s GLU 74 Cb -0.09 -3.26 -0.07 0.00 0.26 0.00 0.00 34.13 30.97 1n02 s GLU 74 CO 0.02 0.14 0.50 1.03 -0.54 0.00 0.00 175.26 176.40 1n02 s ARG 75 N -0.61 3.86 0.53 4.30 0.52 -0.96 -2.73 118.95 123.86 1n02 s ARG 75 Ca 0.48 0.33 0.29 0.00 -0.52 0.00 0.00 55.73 56.30 1n02 s ARG 75 Cb -0.29 -2.89 1.43 0.00 0.52 0.00 0.00 34.95 33.71 1n02 s ARG 75 CO 0.36 0.47 1.92 1.15 0.02 0.00 0.00 175.30 179.22 1n02 h THR 76 N 2.63 0.62 -0.02 0.02 2.02 -1.93 0.63 112.91 116.89 1n02 h THR 76 Ca -0.48 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1n02 h THR 76 Cb 1.19 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1n02 h THR 76 CO 0.67 0.01 0.00 0.59 0.37 0.00 0.00 175.52 177.15 1n02 n ASN 77 N -4.32 0.36 0.00 4.18 4.13 -1.26 -4.99 115.26 113.35 1n02 n ASN 77 Ca 0.16 -1.25 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1n02 n ASN 77 Cb 0.83 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 39.06 1n02 n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n02 n GLY 78 N 0.98 -0.43 0.00 7.41 0.00 0.22 -5.13 105.19 108.24 1n02 n GLY 78 Ca 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.79 0.32 3.15 -0.02 0.00 -1.26 -4.69 105.19 103.49 1n02 n GLY 79 Ca 0.00 -2.31 -0.23 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.64 1.44 -0.20 1.61 2.02 -1.26 -2.26 117.35 118.05 1n02 s TYR 80 Ca 0.00 -0.30 -0.11 0.00 -0.37 0.00 0.00 57.07 56.30 1n02 s TYR 80 Cb 0.00 -0.91 0.07 0.00 -0.40 0.00 0.00 41.96 40.72 1n02 s TYR 80 CO 0.00 0.00 0.48 1.21 -1.57 0.00 0.00 175.55 175.68 1n02 s ASN 81 N -0.60 -0.61 -0.04 2.29 2.47 0.16 -4.93 114.94 113.68 1n02 s ASN 81 Ca 0.06 1.07 -0.17 0.00 0.42 0.00 0.00 52.86 54.24 1n02 s ASN 81 Cb -0.07 1.01 -0.05 0.00 -1.45 0.00 0.00 41.25 40.69 1n02 s ASN 81 CO 0.00 -0.21 0.46 0.28 -3.72 0.00 0.00 177.10 173.91 1n02 s THR 82 N 1.61 5.06 0.23 -5.21 -1.32 -1.26 0.25 115.64 115.00 1n02 s THR 82 Ca -0.09 0.93 0.10 0.00 -1.21 0.00 0.00 61.69 61.43 1n02 s THR 82 Cb -0.08 -3.78 -0.05 0.00 -1.51 0.00 0.00 72.50 67.08 1n02 s THR 82 CO -0.15 0.46 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.60 1n02 s SER 83 N -0.32 3.16 0.06 8.08 1.04 -0.71 -4.94 113.70 120.07 1n02 s SER 83 Ca 0.25 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.78 1n02 s SER 83 Cb -0.16 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1n02 s SER 83 CO 0.13 -0.01 -0.21 -0.44 0.98 0.00 0.00 173.24 173.69 1n02 s SER 84 N -3.18 2.46 -0.05 7.02 0.01 -1.26 -3.12 113.70 115.57 1n02 s SER 84 Ca 0.24 -0.56 -0.09 0.00 1.31 0.00 0.00 55.95 56.85 1n02 s SER 84 Cb -0.05 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1n02 s SER 84 CO 0.11 0.13 0.22 -0.51 0.41 0.00 0.00 173.24 173.59 1n02 s ILE 85 N -0.90 0.03 -0.27 1.44 2.07 -1.14 -4.93 121.20 117.50 1n02 s ILE 85 Ca 0.07 -0.23 -0.15 0.00 -1.41 0.00 0.00 60.65 58.93 1n02 s ILE 85 Cb -0.09 -0.39 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1n02 s ILE 85 CO 0.02 -0.13 0.39 -0.62 -1.91 0.00 0.00 174.94 172.70 1n02 s ASP 86 N -0.43 6.27 0.00 4.50 2.15 -1.26 -1.90 116.67 125.99 1n02 s ASP 86 Ca -0.05 0.28 0.22 0.00 0.43 0.00 0.00 52.55 53.43 1n02 s ASP 86 Cb -0.04 -2.22 -0.05 0.00 -0.30 0.00 0.00 42.92 40.31 1n02 s ASP 86 CO 0.01 -0.21 1.04 0.18 -0.17 0.00 0.00 175.17 176.03 1n02 n LEU 87 N 5.36 1.82 -0.42 -1.34 4.77 -1.01 -4.52 117.00 121.67 1n02 n LEU 87 Ca -0.08 -0.71 0.40 0.00 -0.03 0.00 0.00 56.01 55.59 1n02 n LEU 87 Cb 0.51 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.34 1n02 n LEU 87 CO 0.38 0.35 1.37 -1.13 -1.33 0.00 0.00 177.39 177.03 1n02 h ASN 88 N 1.95 0.00 0.36 -1.43 -0.00 -1.88 0.34 115.58 114.92 1n02 h ASN 88 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 56.30 55.98 1n02 h ASN 88 Cb 0.70 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.04 1n02 h ASN 88 CO 0.00 0.00 -1.47 -1.28 -0.00 0.00 0.00 177.43 174.68 1n02 h SER 89 N 0.00 0.68 0.07 1.15 0.87 -1.79 0.14 113.55 114.66 1n02 h SER 89 Ca 0.67 -0.77 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1n02 h SER 89 Cb 2.83 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 64.57 1n02 h SER 89 CO -0.01 1.62 -0.03 -0.37 -0.53 0.00 0.00 176.83 177.51 1n02 h VAL 90 N 0.12 1.19 -3.79 2.23 -1.51 -0.62 -3.35 116.25 110.53 1n02 h VAL 90 Ca -0.24 -1.46 -0.48 0.00 -1.23 0.00 0.00 66.70 63.29 1n02 h VAL 90 Cb 2.10 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 33.31 1n02 h VAL 90 CO 0.24 0.33 0.23 -0.63 -1.23 0.00 0.00 177.57 176.51 1n02 s ILE 91 N -3.20 4.44 0.16 7.19 1.09 -0.81 0.56 121.20 130.63 1n02 s ILE 91 Ca -0.14 1.44 0.01 0.00 -1.10 0.00 0.00 60.65 60.86 1n02 s ILE 91 Cb -0.00 -3.82 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 1n02 s ILE 91 CO 0.56 0.03 0.00 -0.70 -0.10 0.00 0.00 174.94 174.72 1n02 s GLU 92 N -2.39 1.05 -0.48 2.79 2.12 0.37 -3.63 118.70 118.54 1n02 s GLU 92 Ca 0.51 -1.50 -0.09 0.00 0.36 0.00 0.00 54.97 54.25 1n02 s GLU 92 Cb -0.15 -0.18 0.12 0.00 0.26 0.00 0.00 34.13 34.18 1n02 s GLU 92 CO 0.20 -0.14 0.35 1.21 -0.54 0.00 0.00 175.26 176.34 1n02 s ASN 93 N -3.14 5.69 -0.65 -1.70 2.47 -1.26 -0.15 114.94 116.20 1n02 s ASN 93 Ca 0.23 -1.94 -0.17 0.00 0.42 0.00 0.00 52.86 51.39 1n02 s ASN 93 Cb 0.06 -2.01 0.14 0.00 -1.45 0.00 0.00 41.25 37.99 1n02 s ASN 93 CO 0.03 -0.68 0.69 -0.69 -3.72 0.00 0.00 177.10 172.72 1n02 s VAL 94 N 1.32 5.10 -1.22 -5.21 1.01 0.11 -4.50 120.40 117.00 1n02 s VAL 94 Ca 0.06 -1.51 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 1n02 s VAL 94 Cb -0.26 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.69 1n02 s VAL 94 CO -0.01 -1.06 0.31 -0.67 0.00 0.00 0.00 175.10 173.67 1n02 n ASP 95 N 5.52 -4.09 0.00 3.32 2.03 -1.26 -1.71 116.55 120.37 1n02 n ASP 95 Ca -0.03 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1n02 n ASP 95 Cb 0.43 -3.40 0.00 0.00 -0.72 0.00 0.00 41.12 37.43 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 -1.07 1.50 2.91 0.27 0.00 -1.26 -4.64 105.19 102.90 1n02 n GLY 96 Ca -0.08 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.25 -0.06 -0.12 1.61 0.01 -0.69 -4.54 113.70 107.66 1n02 s SER 97 Ca 0.00 0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1n02 s SER 97 Cb 0.00 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 1n02 s SER 97 CO 0.00 -0.08 1.25 -0.76 0.41 0.00 0.00 173.24 174.06 1n02 s LEU 98 N 0.57 4.22 -0.05 2.44 1.43 -1.25 0.09 118.68 126.13 1n02 s LEU 98 Ca -0.04 1.75 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 1n02 s LEU 98 Cb -0.06 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 1n02 s LEU 98 CO -0.02 -0.70 -0.16 -0.54 0.23 0.00 0.00 176.35 175.15 1n02 s LYS 99 N 3.05 1.76 -0.36 1.70 1.02 0.79 -4.81 119.74 122.88 1n02 s LYS 99 Ca 0.56 -0.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.74 1n02 s LYS 99 Cb -0.23 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 1n02 s LYS 99 CO 0.17 0.20 0.79 -0.47 -0.92 0.00 0.00 175.35 175.13 1n02 s TYR 100 N 0.15 3.12 -2.08 3.18 6.14 -1.26 0.14 117.35 126.75 1n02 s TYR 100 Ca -0.06 0.58 0.17 0.00 0.64 0.00 0.00 57.07 58.40 1n02 s TYR 100 Cb -0.12 -3.40 0.13 0.00 0.42 0.00 0.00 41.96 38.99 1n02 s TYR 100 CO 0.03 -0.73 1.03 -1.91 0.64 0.00 0.00 175.55 174.60