#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 -0.01 0.00 0.99 2.96 -1.26 -5.06 118.68 116.31 1n02 s LEU 1 Ca 0.00 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1n02 s LEU 1 Cb 0.00 0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.94 1n02 s LEU 1 CO 0.00 -0.34 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 1n02 n GLY 2 N 5.31 1.73 2.93 7.98 0.00 -1.25 -4.35 105.19 117.54 1n02 n GLY 2 Ca -0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -1.44 -0.01 1.61 4.76 0.16 -4.66 118.16 118.57 1n02 n LYS 3 Ca 0.00 1.16 -0.21 0.00 -2.87 0.00 0.00 58.31 56.39 1n02 n LYS 3 Cb 0.00 -5.26 -0.14 0.00 -1.84 0.00 0.00 35.03 27.79 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 -2.15 1.11 0.30 2.13 1.16 -1.23 -4.08 117.46 114.69 1n02 n PHE 4 Ca -0.02 0.24 0.17 0.00 -1.87 0.00 0.00 57.45 55.97 1n02 n PHE 4 Cb 0.54 -1.14 0.84 0.00 -1.61 0.00 0.00 39.48 38.10 1n02 n PHE 4 CO 0.00 0.00 0.00 0.97 -1.87 0.00 0.00 176.76 175.86 1n02 h ILE 5 N 0.02 0.00 0.00 1.97 6.09 -1.87 0.47 117.51 124.20 1n02 h ILE 5 Ca -0.44 -0.18 -0.06 0.00 -1.37 0.00 0.00 64.86 62.81 1n02 h ILE 5 Cb 1.99 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 40.31 1n02 h ILE 5 CO 0.06 0.00 -0.28 -0.33 -3.07 0.00 0.00 178.15 174.53 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 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1n02 h GLU 6 CO 0.00 0.28 -0.03 0.25 -1.16 0.00 0.00 179.01 178.35 1n02 n THR 7 N -3.37 0.00 -4.13 1.13 -2.24 -0.40 -5.04 114.28 100.24 1n02 n THR 7 Ca 0.01 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 61.02 1n02 n THR 7 Cb 0.49 1.02 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 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 -2.70 1.62 -1.20 0.00 1.70 0.22 -4.73 118.95 113.86 1n02 s ARG 9 Ca 0.28 -1.91 -0.19 0.00 -0.47 0.00 0.00 55.73 53.44 1n02 s ARG 9 Cb -0.11 -0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 33.81 1n02 s ARG 9 CO 0.20 -0.33 0.71 0.27 -1.08 0.00 0.00 175.30 175.07 1n02 n ASN 10 N -0.78 -4.23 -4.72 -2.89 6.94 -1.26 -2.32 115.26 106.00 1n02 n ASN 10 Ca -0.02 -1.05 -0.41 0.00 -0.02 0.00 0.00 54.58 53.08 1n02 n ASN 10 Cb 0.66 -3.11 -0.04 0.00 -2.36 0.00 0.00 39.78 34.93 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 4.61 0.20 5.53 -4.23 -1.26 -4.37 115.64 112.55 1n02 s THR 11 Ca 0.39 2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 62.72 1n02 s THR 11 Cb -0.15 -4.30 0.04 0.00 1.34 0.00 0.00 72.50 69.43 1n02 s THR 11 CO 0.88 0.25 0.61 0.00 -0.54 0.00 0.00 174.62 175.82 1n02 s GLN 12 N 0.41 1.44 -0.11 3.99 -2.07 -1.01 -4.39 119.66 117.91 1n02 s GLN 12 Ca 0.49 -0.72 -0.11 0.00 -1.82 0.00 0.00 55.36 53.20 1n02 s GLN 12 Cb -0.23 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 1n02 s GLN 12 CO 0.29 -0.63 0.24 -1.17 -1.32 0.00 0.00 175.29 172.70 1n02 s LEU 13 N -2.83 4.35 0.03 2.60 2.96 -1.26 -1.44 118.68 123.10 1n02 s LEU 13 Ca 0.06 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 54.63 1n02 s LEU 13 Cb -0.02 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1n02 s LEU 13 CO -0.05 0.29 -0.25 0.00 -1.32 0.00 0.00 176.35 175.02 1n02 s ALA 14 N -0.51 2.31 0.00 5.97 0.00 0.41 -4.88 121.76 125.06 1n02 s ALA 14 Ca 0.17 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1n02 s ALA 14 Cb -0.13 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1n02 s ALA 14 CO 0.06 0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.77 1n02 n GLY 15 N 1.84 1.01 0.12 0.00 0.00 -1.26 -1.11 105.19 105.78 1n02 n GLY 15 Ca -0.17 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 1n02 n GLY 15 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n02 h SER 16 N 6.27 0.43 -0.25 1.61 0.02 -1.97 -3.42 113.55 116.25 1n02 h SER 16 Ca 0.00 -0.67 -0.21 0.00 -0.84 0.00 0.00 61.79 60.07 1n02 h SER 16 Cb 0.00 -0.14 -0.38 0.00 0.14 0.00 0.00 62.40 62.02 1n02 h SER 16 CO 0.00 1.57 -1.03 -1.54 -1.14 0.00 0.00 176.83 174.69 1n02 n SER 17 N -3.47 1.17 -4.48 3.07 3.41 -1.25 -4.68 113.62 107.39 1n02 n SER 17 Ca -0.21 -2.02 -0.30 0.00 -0.26 0.00 0.00 58.87 56.08 1n02 n SER 17 Cb 1.05 -0.34 -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 -2.20 2.01 -0.14 4.33 8.01 -0.27 -0.95 118.70 129.49 1n02 s GLU 18 Ca 0.28 -1.03 0.02 0.00 0.01 0.00 0.00 54.97 54.25 1n02 s GLU 18 Cb 0.34 -2.19 0.01 0.00 -4.31 0.00 0.00 34.13 27.99 1n02 s GLU 18 CO -0.09 0.52 -0.22 -1.17 0.01 0.00 0.00 175.26 174.32 1n02 s LEU 19 N -1.67 2.13 0.02 1.80 2.96 -0.15 0.16 118.68 123.92 1n02 s LEU 19 Ca 0.16 -0.60 0.08 0.00 -0.22 0.00 0.00 54.13 53.55 1n02 s LEU 19 Cb -0.11 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 1n02 s LEU 19 CO 0.07 0.08 -0.25 0.00 -1.32 0.00 0.00 176.35 174.93 1n02 s ALA 20 N 0.84 2.29 0.29 5.97 0.00 -0.52 0.03 121.76 130.65 1n02 s ALA 20 Ca -0.06 -1.19 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 1n02 s ALA 20 Cb -0.15 -0.56 0.04 0.00 0.00 0.00 0.00 23.12 22.44 1n02 s ALA 20 CO -0.02 0.54 0.78 0.00 0.00 0.00 0.00 175.76 177.06 1n02 s ALA 21 N -0.75 -1.17 -0.09 0.00 0.00 0.64 -2.42 121.76 117.98 1n02 s ALA 21 Ca 0.11 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1n02 s ALA 21 Cb -0.10 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 1n02 s ALA 21 CO 0.01 -1.03 -0.16 -1.21 0.00 0.00 0.00 175.76 173.37 1n02 s GLU 22 N -3.34 2.99 -0.03 0.00 2.02 -0.98 0.81 118.70 120.17 1n02 s GLU 22 Ca 0.13 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.41 1n02 s GLU 22 Cb -0.05 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.72 1n02 s GLU 22 CO 0.08 0.35 -0.11 0.00 0.02 0.00 0.00 175.26 175.60 1n02 s LYS 24 N 0.16 4.33 0.62 0.00 -2.85 -1.16 -2.66 119.74 118.19 1n02 s LYS 24 Ca -0.03 2.21 -0.07 0.00 -1.00 0.00 0.00 55.97 57.08 1n02 s LYS 24 Cb -0.09 -3.11 0.14 0.00 -2.06 0.00 0.00 37.83 32.70 1n02 s LYS 24 CO 0.01 -0.29 0.85 0.25 0.10 0.00 0.00 175.35 176.27 1n02 n THR 25 N 1.77 0.00 0.22 3.79 -2.24 0.33 -4.08 114.28 114.06 1n02 n THR 25 Ca 0.04 -0.86 0.06 0.00 -2.27 0.00 0.00 64.05 61.02 1n02 n THR 25 Cb 0.41 -1.41 0.56 0.00 -2.10 0.00 0.00 70.33 67.80 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 0.06 -0.07 -0.78 2.47 -1.88 -1.55 114.38 112.63 1n02 h ARG 26 Ca -0.28 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1n02 h ARG 26 Cb 0.85 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1n02 h ARG 26 CO 0.23 0.11 0.00 0.00 0.56 0.00 0.00 179.97 180.87 1n02 n ALA 27 N -2.52 2.50 -3.10 0.04 0.00 -1.26 -4.86 120.51 111.31 1n02 n ALA 27 Ca -0.02 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 1n02 n ALA 27 Cb 0.15 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.61 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 -0.31 -4.72 -5.22 0.00 6.02 -0.58 -5.02 117.38 107.54 1n02 n GLN 28 Ca 0.04 0.55 -0.32 0.00 -0.01 0.00 0.00 57.00 57.27 1n02 n GLN 28 Cb 0.07 -4.73 -0.16 0.00 1.02 0.00 0.00 30.24 26.44 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 -5.72 2.63 -0.20 -1.09 -0.21 -1.26 -4.87 119.66 108.94 1n02 s GLN 29 Ca 0.34 -0.88 -0.17 0.00 0.02 0.00 0.00 55.36 54.66 1n02 s GLN 29 Cb -0.15 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 1n02 s GLN 29 CO 0.42 0.37 0.46 -0.06 -2.12 0.00 0.00 175.29 174.35 1n02 s PHE 30 N -0.13 3.37 0.10 0.91 0.40 -1.26 0.12 117.98 121.50 1n02 s PHE 30 Ca -0.04 0.69 0.05 0.00 -0.60 0.00 0.00 56.93 57.03 1n02 s PHE 30 Cb -0.14 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1n02 s PHE 30 CO 0.04 -0.06 -0.13 0.14 0.70 0.00 0.00 175.22 175.91 1n02 s VAL 31 N 1.48 1.20 0.17 -0.44 -7.23 -1.09 -4.93 120.40 109.56 1n02 s VAL 31 Ca 0.21 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 1n02 s VAL 31 Cb -0.15 -1.38 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 1n02 s VAL 31 CO 0.09 -0.39 1.19 -0.55 -0.31 0.00 0.00 175.10 175.12 1n02 s SER 32 N -2.27 7.11 0.09 4.85 0.15 -1.26 -1.20 113.70 121.16 1n02 s SER 32 Ca 0.05 2.19 -0.05 0.00 0.70 0.00 0.00 55.95 58.84 1n02 s SER 32 Cb -0.06 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.63 1n02 s SER 32 CO 0.02 -0.37 0.10 0.28 1.20 0.00 0.00 173.24 174.48 1n02 s THR 33 N 0.08 0.16 0.05 6.45 -1.32 0.24 -4.92 115.64 116.37 1n02 s THR 33 Ca 0.53 -1.53 -0.04 0.00 -1.21 0.00 0.00 61.69 59.44 1n02 s THR 33 Cb -0.32 -1.55 -0.02 0.00 -1.51 0.00 0.00 72.50 69.11 1n02 s THR 33 CO 0.35 -0.72 0.06 -0.75 -2.21 0.00 0.00 174.62 171.36 1n02 s LYS 34 N -3.92 0.61 -0.05 7.08 2.20 -1.26 -0.26 119.74 124.15 1n02 s LYS 34 Ca 0.09 -0.91 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 1n02 s LYS 34 Cb 0.06 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1n02 s LYS 34 CO -0.08 -0.15 -0.03 -1.50 -0.36 0.00 0.00 175.35 173.23 1n02 s ILE 35 N -3.09 0.46 -0.34 5.43 1.10 0.10 -4.35 121.20 120.51 1n02 s ILE 35 Ca -0.01 -0.05 -0.22 0.00 -0.51 0.00 0.00 60.65 59.86 1n02 s ILE 35 Cb 0.02 -0.52 0.00 0.00 0.15 0.00 0.00 42.46 42.11 1n02 s ILE 35 CO -0.07 0.22 0.73 0.21 -2.11 0.00 0.00 174.94 173.92 1n02 s ASN 36 N 1.10 6.54 0.16 4.50 2.47 -1.26 -0.97 114.94 127.47 1n02 s ASN 36 Ca -0.08 0.39 0.24 0.00 0.42 0.00 0.00 52.86 53.83 1n02 s ASN 36 Cb -0.14 -2.38 0.41 0.00 -1.45 0.00 0.00 41.25 37.69 1n02 s ASN 36 CO -0.01 -0.65 1.40 -0.07 -3.72 0.00 0.00 177.10 174.05 1n02 h LEU 37 N 9.53 0.00 -0.56 3.21 4.07 -1.39 -3.31 115.31 126.86 1n02 h LEU 37 Ca -0.25 -0.15 0.05 0.00 0.08 0.00 0.00 57.88 57.61 1n02 h LEU 37 Cb 1.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1n02 h LEU 37 CO 0.88 0.08 0.29 0.44 -1.08 0.00 0.00 178.44 179.04 1n02 h ASP 38 N 0.00 0.43 0.42 -0.43 5.19 -1.53 1.06 116.42 121.56 1n02 h ASP 38 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1n02 h ASP 38 Cb 0.77 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1n02 h ASP 38 CO 0.00 0.29 -0.62 -0.90 -3.12 0.00 0.00 179.24 174.89 1n02 n ASP 39 N -4.85 0.60 -0.06 6.45 5.68 -1.26 -1.61 116.55 121.50 1n02 n ASP 39 Ca 0.06 -0.36 -0.06 0.00 -0.50 0.00 0.00 54.79 53.93 1n02 n ASP 39 Cb 0.15 0.41 -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 -1.54 0.11 -2.84 2.11 8.25 -0.92 -3.75 115.22 116.63 1n02 n HIS 40 Ca 0.05 0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 1n02 n HIS 40 Cb 0.34 -0.38 -0.07 0.00 1.12 0.00 0.00 29.99 31.01 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 -2.20 4.35 0.24 1.59 -1.09 0.36 -0.23 121.20 124.22 1n02 s ILE 41 Ca -0.18 1.57 -0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1n02 s ILE 41 Cb 0.02 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1n02 s ILE 41 CO 0.26 -0.12 0.20 0.00 -1.23 0.00 0.00 174.94 174.05 1n02 s ALA 42 N -1.94 1.21 -0.29 9.38 0.00 0.22 -3.73 121.76 126.60 1n02 s ALA 42 Ca 0.56 -1.72 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1n02 s ALA 42 Cb -0.13 1.38 0.04 0.00 0.00 0.00 0.00 23.12 24.41 1n02 s ALA 42 CO 0.17 -0.63 0.01 1.21 0.00 0.00 0.00 175.76 176.53 1n02 s ASN 43 N -3.20 4.87 -0.66 0.00 2.47 -1.26 -1.73 114.94 115.43 1n02 s ASN 43 Ca 0.38 -1.09 -0.03 0.00 0.42 0.00 0.00 52.86 52.54 1n02 s ASN 43 Cb 0.05 -1.75 0.17 0.00 -1.45 0.00 0.00 41.25 38.27 1n02 s ASN 43 CO 0.15 -0.23 0.48 -0.63 -3.72 0.00 0.00 177.10 173.15 1n02 s ILE 44 N 1.33 3.82 -0.88 -5.21 1.09 -0.03 -4.66 121.20 116.66 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 -3.47 0.01 0.00 -1.06 0.00 0.00 42.46 37.74 1n02 s ILE 44 CO -0.01 -0.90 0.60 -0.67 -0.10 0.00 0.00 174.94 173.86 1n02 n ASP 45 N 3.36 -4.58 0.00 3.58 -0.08 -1.26 -2.69 116.55 114.88 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 -3.26 0.00 0.00 2.34 0.00 0.00 41.12 40.57 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 -1.36 0.84 3.52 0.27 0.00 -1.08 -4.14 105.19 103.24 1n02 n GLY 46 Ca -0.02 0.00 -0.34 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 -3.30 3.64 -0.23 2.61 2.01 -1.10 -4.53 115.64 114.75 1n02 s THR 47 Ca 0.00 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1n02 s THR 47 Cb 0.00 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.99 1n02 s THR 47 CO 0.00 0.56 1.17 -0.76 -0.69 0.00 0.00 174.62 174.89 1n02 s LEU 48 N -0.27 4.07 0.11 4.42 1.43 -1.26 -0.85 118.68 126.33 1n02 s LEU 48 Ca 0.04 1.42 -0.00 0.00 -1.03 0.00 0.00 54.13 54.56 1n02 s LEU 48 Cb -0.13 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1n02 s LEU 48 CO 0.03 -0.79 0.01 -0.54 0.23 0.00 0.00 176.35 175.29 1n02 s LYS 49 N 3.52 0.85 -0.27 1.70 1.02 -0.71 -4.88 119.74 120.97 1n02 s LYS 49 Ca 0.50 -1.38 -0.24 0.00 0.02 0.00 0.00 55.97 54.87 1n02 s LYS 49 Cb -0.17 0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1n02 s LYS 49 CO 0.13 -0.18 0.80 -1.58 -0.92 0.00 0.00 175.35 173.60 1n02 s TRP 50 N -3.93 3.26 -0.27 3.18 0.51 -1.26 0.70 118.94 121.13 1n02 s TRP 50 Ca 0.18 0.97 -0.26 0.00 -2.12 0.00 0.00 56.10 54.87 1n02 s TRP 50 Cb 0.07 -3.13 0.17 0.00 -0.81 0.00 0.00 33.47 29.77 1n02 s TRP 50 CO -0.02 -0.48 1.27 -1.14 -0.51 0.00 0.00 176.95 176.07 1n02 s GLN 51 N 2.89 0.24 -0.71 4.98 0.74 0.67 -4.87 119.66 123.61 1n02 s GLN 51 Ca 0.33 0.21 -0.26 0.00 0.05 0.00 0.00 55.36 55.69 1n02 s GLN 51 Cb -0.15 0.12 -0.23 0.00 1.10 0.00 0.00 33.01 33.85 1n02 s GLN 51 CO 0.10 -0.05 1.87 -0.35 -0.55 0.00 0.00 175.29 176.32 1n02 n PRO 52 N 1.44 0.72 -3.64 1.67 -0.04 -1.25 -3.71 135.00 130.19 1n02 n PRO 52 Ca -0.09 -1.69 -0.07 0.00 -0.04 0.00 0.00 63.50 61.60 1n02 n PRO 52 Cb 0.57 -3.23 -0.07 0.00 -0.04 0.00 0.00 33.50 30.73 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 6.82 -0.60 -0.49 3.54 1.04 -1.25 -5.01 113.70 117.74 1n02 s SER 53 Ca 0.69 1.06 -0.28 0.00 0.48 0.00 0.00 55.95 57.90 1n02 s SER 53 Cb 0.06 1.16 0.03 0.00 0.10 0.00 0.00 66.02 67.37 1n02 s SER 53 CO 0.21 -0.17 1.08 0.20 0.98 0.00 0.00 173.24 175.53 1n02 s ASN 54 N 0.84 6.56 0.56 7.02 0.01 -0.64 -3.03 114.94 126.27 1n02 s ASN 54 Ca -0.03 0.28 0.32 0.00 -0.71 0.00 0.00 52.86 52.72 1n02 s ASN 54 Cb -0.05 -2.52 1.46 0.00 0.41 0.00 0.00 41.25 40.56 1n02 s ASN 54 CO -0.10 -1.23 1.83 2.19 -1.51 0.00 0.00 177.10 178.28 1n02 h PHE 55 N 9.24 0.00 0.00 2.20 -5.15 -1.79 -1.46 116.94 119.98 1n02 h PHE 55 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 1n02 h PHE 55 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 1n02 h PHE 55 CO 0.95 0.00 0.45 0.66 -2.00 0.00 0.00 178.31 178.38 1n02 h SER 56 N 0.00 0.00 0.20 -0.68 4.64 -1.89 -0.41 113.55 115.41 1n02 h SER 56 Ca 0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.68 1n02 h SER 56 Cb 1.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.85 1n02 h SER 56 CO -0.00 0.00 -0.19 1.56 -0.87 0.00 0.00 176.83 177.33 1n02 h GLN 57 N 0.00 0.00 0.00 4.77 1.08 -1.68 -3.20 115.11 116.08 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 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1n02 h GLN 57 CO 0.00 0.19 0.00 0.25 -0.95 0.00 0.00 178.83 178.32 1n02 n THR 58 N -4.26 0.06 -4.32 -0.54 -2.24 -0.25 -5.06 114.28 97.67 1n02 n THR 58 Ca -0.02 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 1n02 n THR 58 Cb 0.25 1.34 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.14 0.27 -1.00 0.00 1.13 0.58 -4.59 117.35 112.61 1n02 s TYR 60 Ca 0.20 -0.68 -0.03 0.00 -1.41 0.00 0.00 57.07 55.15 1n02 s TYR 60 Cb -0.11 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 1n02 s TYR 60 CO 0.12 -0.42 0.85 0.09 -2.51 0.00 0.00 175.55 173.68 1n02 n ASN 61 N 0.35 -3.30 -4.75 -0.18 5.03 -1.26 -2.73 115.26 108.41 1n02 n ASN 61 Ca -0.16 -0.47 -0.41 0.00 0.87 0.00 0.00 54.58 54.41 1n02 n ASN 61 Cb 0.60 -4.14 -0.03 0.00 -1.02 0.00 0.00 39.78 35.19 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 -3.77 6.99 0.02 6.41 0.01 -1.26 -4.20 113.70 117.89 1n02 s SER 62 Ca 0.17 2.43 -0.04 0.00 1.31 0.00 0.00 55.95 59.82 1n02 s SER 62 Cb -0.08 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 1n02 s SER 62 CO 0.58 -0.40 0.06 0.00 0.41 0.00 0.00 173.24 173.89 1n02 s ALA 63 N -0.61 -0.07 -0.02 1.44 0.00 0.42 -4.95 121.76 117.97 1n02 s ALA 63 Ca 0.51 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.06 1n02 s ALA 63 Cb -0.36 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1n02 s ALA 63 CO 0.43 -0.23 -0.12 0.42 0.00 0.00 0.00 175.76 176.26 1n02 s ILE 64 N -1.84 0.95 -0.17 0.00 1.01 -1.26 0.12 121.20 120.01 1n02 s ILE 64 Ca -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 1n02 s ILE 64 Cb -0.06 -0.81 0.06 0.00 0.01 0.00 0.00 42.46 41.66 1n02 s ILE 64 CO -0.01 0.28 0.05 -1.10 0.00 0.00 0.00 174.94 174.15 1n02 s GLN 65 N -0.16 0.50 7.91 2.79 -0.21 -0.67 -4.50 119.66 125.32 1n02 s GLN 65 Ca 0.02 -0.27 0.00 0.00 0.02 0.00 0.00 55.36 55.13 1n02 s GLN 65 Cb -0.06 -1.90 0.00 0.00 1.00 0.00 0.00 33.01 32.05 1n02 s GLN 65 CO -0.00 -0.61 0.00 0.41 -2.12 0.00 0.00 175.29 172.97 1n02 n GLY 66 N 5.12 3.43 0.55 3.09 0.00 -1.26 -2.22 105.19 113.90 1n02 n GLY 66 Ca -0.08 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 8.65 2.10 -4.83 1.61 3.41 -1.26 -4.72 113.62 118.58 1n02 n SER 67 Ca 0.00 -1.55 -0.36 0.00 -0.26 0.00 0.00 58.87 56.70 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 -2.01 5.32 -0.23 -3.33 1.01 -0.94 -2.24 120.40 117.98 1n02 s VAL 68 Ca 0.18 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1n02 s VAL 68 Cb 0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1n02 s VAL 68 CO 0.41 0.59 0.12 -0.22 0.00 0.00 0.00 175.10 175.99 1n02 s LEU 69 N -0.76 3.86 -0.15 3.92 2.96 -0.67 -1.67 118.68 126.16 1n02 s LEU 69 Ca 0.13 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1n02 s LEU 69 Cb -0.12 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.54 1n02 s LEU 69 CO 0.03 0.05 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.07 1n02 s THR 70 N 1.11 2.78 0.03 3.68 2.01 0.32 -2.90 115.64 122.68 1n02 s THR 70 Ca 0.06 -0.74 -0.17 0.00 0.31 0.00 0.00 61.69 61.15 1n02 s THR 70 Cb -0.14 -2.17 0.03 0.00 0.01 0.00 0.00 72.50 70.23 1n02 s THR 70 CO 0.04 0.52 0.38 -0.55 -0.69 0.00 0.00 174.62 174.32 1n02 s SER 71 N 0.67 -0.24 -0.19 3.53 0.15 -1.19 0.16 113.70 116.59 1n02 s SER 71 Ca -0.07 -0.01 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 1n02 s SER 71 Cb -0.16 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.51 1n02 s SER 71 CO 0.02 -0.62 0.41 -0.89 1.20 0.00 0.00 173.24 173.37 1n02 s THR 72 N -2.27 5.20 0.04 6.45 2.01 -1.11 -1.70 115.64 124.26 1n02 s THR 72 Ca -0.07 0.75 0.06 0.00 0.31 0.00 0.00 61.69 62.75 1n02 s THR 72 Cb -0.01 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1n02 s THR 72 CO -0.01 0.26 -0.18 0.00 -0.69 0.00 0.00 174.62 174.00 1n02 s GLU 74 N -1.12 4.60 0.13 0.00 2.12 0.08 0.85 118.70 125.36 1n02 s GLU 74 Ca 0.05 1.78 -0.14 0.00 0.36 0.00 0.00 54.97 57.02 1n02 s GLU 74 Cb -0.08 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 1n02 s GLU 74 CO 0.01 0.10 0.53 1.03 -0.54 0.00 0.00 175.26 176.40 1n02 s ARG 75 N -0.76 3.96 0.58 4.30 0.52 -1.13 -2.63 118.95 123.79 1n02 s ARG 75 Ca 0.48 0.46 0.29 0.00 -0.52 0.00 0.00 55.73 56.44 1n02 s ARG 75 Cb -0.31 -2.95 1.45 0.00 0.52 0.00 0.00 34.95 33.66 1n02 s ARG 75 CO 0.37 0.50 1.86 1.15 0.02 0.00 0.00 175.30 179.20 1n02 h THR 76 N 2.84 0.37 -0.04 0.02 2.02 -1.94 0.81 112.91 117.00 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 1.19 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1n02 h THR 76 CO 0.66 0.00 0.00 0.59 0.37 0.00 0.00 175.52 177.14 1n02 n ASN 77 N -3.77 0.52 0.00 4.18 4.13 -1.26 -4.99 115.26 114.07 1n02 n ASN 77 Ca 0.11 -1.42 0.00 0.00 1.68 0.00 0.00 54.58 54.95 1n02 n ASN 77 Cb 0.76 -0.02 0.00 0.00 -1.54 0.00 0.00 39.78 38.98 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 0.94 -0.40 0.00 7.41 0.00 0.28 -5.12 105.19 108.30 1n02 n GLY 78 Ca 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.18 3.10 -0.02 0.00 -1.26 -4.65 105.19 102.85 1n02 n GLY 79 Ca 0.00 -2.26 -0.22 0.00 0.00 0.00 0.00 46.02 43.54 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 1.23 -0.20 1.61 2.02 -1.26 -2.82 117.35 117.92 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 -0.79 0.07 0.00 -0.40 0.00 0.00 41.96 40.84 1n02 s TYR 80 CO 0.00 -0.02 0.49 1.21 -1.57 0.00 0.00 175.55 175.66 1n02 s ASN 81 N -0.38 -0.63 -0.07 2.29 2.47 0.25 -4.90 114.94 113.97 1n02 s ASN 81 Ca 0.05 1.08 -0.16 0.00 0.42 0.00 0.00 52.86 54.26 1n02 s ASN 81 Cb -0.05 1.02 -0.05 0.00 -1.45 0.00 0.00 41.25 40.72 1n02 s ASN 81 CO -0.00 -0.21 0.41 0.28 -3.72 0.00 0.00 177.10 173.85 1n02 s THR 82 N 1.60 5.14 0.23 -5.21 -1.32 -1.26 0.90 115.64 115.72 1n02 s THR 82 Ca -0.09 0.82 0.11 0.00 -1.21 0.00 0.00 61.69 61.31 1n02 s THR 82 Cb -0.08 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 67.14 1n02 s THR 82 CO -0.15 0.46 -0.19 -0.94 -2.21 0.00 0.00 174.62 171.59 1n02 s SER 83 N -0.23 3.24 0.04 8.08 1.04 -0.69 -4.92 113.70 120.26 1n02 s SER 83 Ca 0.23 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.77 1n02 s SER 83 Cb -0.15 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1n02 s SER 83 CO 0.10 0.00 -0.24 -0.44 0.98 0.00 0.00 173.24 173.65 1n02 s SER 84 N -3.20 2.85 -0.06 7.02 0.01 -1.26 -3.14 113.70 115.91 1n02 s SER 84 Ca 0.25 -0.56 -0.08 0.00 1.31 0.00 0.00 55.95 56.88 1n02 s SER 84 Cb -0.05 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1n02 s SER 84 CO 0.11 0.22 0.20 -0.51 0.41 0.00 0.00 173.24 173.66 1n02 s ILE 85 N -0.80 0.02 -0.26 1.44 2.07 -1.14 -4.92 121.20 117.61 1n02 s ILE 85 Ca 0.10 -0.17 -0.13 0.00 -1.41 0.00 0.00 60.65 59.04 1n02 s ILE 85 Cb -0.09 -0.34 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 1n02 s ILE 85 CO 0.02 -0.09 0.29 -0.62 -1.91 0.00 0.00 174.94 172.63 1n02 s ASP 86 N -0.28 6.18 0.00 4.50 2.15 -1.26 -1.68 116.67 126.29 1n02 s ASP 86 Ca -0.04 0.20 0.22 0.00 0.43 0.00 0.00 52.55 53.36 1n02 s ASP 86 Cb -0.03 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.43 1n02 s ASP 86 CO 0.01 -0.10 1.09 0.18 -0.17 0.00 0.00 175.17 176.17 1n02 n LEU 87 N 5.04 2.12 -0.36 -1.34 4.77 -0.95 -4.52 117.00 121.76 1n02 n LEU 87 Ca -0.11 -0.79 0.37 0.00 -0.03 0.00 0.00 56.01 55.45 1n02 n LEU 87 Cb 0.51 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 42.31 1n02 n LEU 87 CO 0.36 0.39 1.34 -1.13 -1.33 0.00 0.00 177.39 177.02 1n02 h ASN 88 N 2.67 0.00 0.20 -1.43 -0.00 -1.87 0.17 115.58 115.32 1n02 h ASN 88 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 56.01 1n02 h ASN 88 Cb 0.77 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 39.11 1n02 h ASN 88 CO 0.00 0.00 -1.33 0.28 -0.00 0.00 0.00 177.43 176.38 1n02 h SER 89 N 0.00 0.65 0.11 1.15 0.02 -1.79 0.45 113.55 114.13 1n02 h SER 89 Ca 0.61 -0.93 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1n02 h SER 89 Cb 2.70 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 65.03 1n02 h SER 89 CO -0.01 1.63 -0.05 -0.37 -1.14 0.00 0.00 176.83 176.89 1n02 h VAL 90 N -0.06 1.08 -3.81 2.27 -1.51 -0.97 -3.31 116.25 109.93 1n02 h VAL 90 Ca -0.25 -1.20 -0.48 0.00 -1.23 0.00 0.00 66.70 63.54 1n02 h VAL 90 Cb 1.96 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 32.88 1n02 h VAL 90 CO 0.20 0.27 0.26 -0.63 -1.23 0.00 0.00 177.57 176.44 1n02 s ILE 91 N -3.65 4.36 0.19 7.19 1.09 -0.75 0.55 121.20 130.18 1n02 s ILE 91 Ca -0.14 1.57 0.01 0.00 -1.10 0.00 0.00 60.65 60.99 1n02 s ILE 91 Cb 0.01 -3.89 -0.05 0.00 -1.06 0.00 0.00 42.46 37.47 1n02 s ILE 91 CO 0.56 0.08 0.04 -0.70 -0.10 0.00 0.00 174.94 174.82 1n02 s GLU 92 N -2.23 1.16 -0.47 2.79 2.12 0.39 -3.56 118.70 118.89 1n02 s GLU 92 Ca 0.50 -1.58 -0.08 0.00 0.36 0.00 0.00 54.97 54.17 1n02 s GLU 92 Cb -0.16 -0.14 0.12 0.00 0.26 0.00 0.00 34.13 34.20 1n02 s GLU 92 CO 0.21 -0.21 0.33 1.21 -0.54 0.00 0.00 175.26 176.27 1n02 s ASN 93 N -3.18 5.63 -0.66 -1.70 2.47 -1.26 -0.51 114.94 115.73 1n02 s ASN 93 Ca 0.28 -1.98 -0.17 0.00 0.42 0.00 0.00 52.86 51.42 1n02 s ASN 93 Cb 0.07 -1.98 0.15 0.00 -1.45 0.00 0.00 41.25 38.03 1n02 s ASN 93 CO 0.06 -0.66 0.68 -0.69 -3.72 0.00 0.00 177.10 172.77 1n02 s VAL 94 N 1.26 5.16 -1.31 -5.21 1.01 0.78 -4.49 120.40 117.61 1n02 s VAL 94 Ca 0.07 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.40 1n02 s VAL 94 Cb -0.25 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.70 1n02 s VAL 94 CO -0.02 -1.04 0.32 -0.67 0.00 0.00 0.00 175.10 173.69 1n02 n ASP 95 N 5.34 -4.51 0.00 3.32 2.03 -1.26 -1.85 116.55 119.62 1n02 n ASP 95 Ca -0.03 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1n02 n ASP 95 Cb 0.43 -3.74 0.00 0.00 -0.72 0.00 0.00 41.12 37.10 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 -1.12 1.34 2.85 0.27 0.00 -1.26 -4.66 105.19 102.61 1n02 n GLY 96 Ca -0.10 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.01 -0.14 1.61 0.15 -0.77 -4.52 113.70 107.69 1n02 s SER 97 Ca 0.00 0.06 -0.29 0.00 0.70 0.00 0.00 55.95 56.42 1n02 s SER 97 Cb 0.00 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 1n02 s SER 97 CO 0.00 -0.07 1.30 -0.76 1.20 0.00 0.00 173.24 174.92 1n02 s LEU 98 N 0.52 4.21 -0.02 3.45 1.43 -1.25 -0.15 118.68 126.86 1n02 s LEU 98 Ca -0.04 1.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.87 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 -0.77 -0.16 -0.54 0.23 0.00 0.00 176.35 175.09 1n02 s LYS 99 N 3.45 1.48 -0.01 1.70 1.02 0.34 -4.78 119.74 122.93 1n02 s LYS 99 Ca 0.57 -0.58 -0.23 0.00 0.02 0.00 0.00 55.97 55.74 1n02 s LYS 99 Cb -0.23 -1.37 -0.05 0.00 -0.52 0.00 0.00 37.83 35.66 1n02 s LYS 99 CO 0.17 0.31 0.69 -0.47 -0.92 0.00 0.00 175.35 175.12 1n02 s TYR 100 N -0.21 3.66 -2.33 3.18 6.14 -1.26 0.15 117.35 126.69 1n02 s TYR 100 Ca 0.02 1.31 0.19 0.00 0.64 0.00 0.00 57.07 59.23 1n02 s TYR 100 Cb -0.08 -2.75 0.15 0.00 0.42 0.00 0.00 41.96 39.70 1n02 s TYR 100 CO 0.00 0.23 1.09 -1.91 0.64 0.00 0.00 175.55 175.61