#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2air n THR 2 N 0.00 0.00 -1.11 2.03 -2.24 -1.26 -5.05 114.28 106.65 2air n THR 2 Ca 0.00 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 2air n THR 2 Cb 0.00 0.32 0.12 0.00 -2.10 0.00 0.00 70.33 68.67 2air n THR 2 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2air n HIS 3 N -0.82 0.88 -0.54 4.78 -0.00 -1.26 -4.97 115.22 113.28 2air n HIS 3 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 2air n HIS 3 Cb 0.00 -2.07 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 2air n HIS 3 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2air n ASP 4 N -2.79 0.55 -3.95 0.41 2.03 -1.26 -5.13 116.55 106.41 2air n ASP 4 Ca 0.13 -1.09 -0.12 0.00 0.52 0.00 0.00 54.79 54.23 2air n ASP 4 Cb 0.50 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.83 2air n ASP 4 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2air s ASN 5 N -0.09 0.30 -0.78 1.67 0.01 -1.26 -5.08 114.94 109.71 2air s ASN 5 Ca 0.00 -1.29 0.03 0.00 -0.71 0.00 0.00 52.86 50.89 2air s ASN 5 Cb 0.00 0.49 0.19 0.00 0.41 0.00 0.00 41.25 42.34 2air s ASN 5 CO 0.00 -1.01 0.61 1.17 -1.51 0.00 0.00 177.10 176.36 2air n LYS 6 N -0.37 2.14 -3.90 -0.60 4.81 -1.26 -5.05 118.16 113.94 2air n LYS 6 Ca 0.01 -4.49 -0.35 0.00 -0.87 0.00 0.00 58.31 52.61 2air n LYS 6 Cb 0.64 -2.33 -0.14 0.00 0.02 0.00 0.00 35.03 33.22 2air n LYS 6 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2air s LEU 7 N -1.46 3.44 0.00 3.14 1.43 -1.26 -4.95 118.68 119.02 2air s LEU 7 Ca 0.26 -0.86 0.20 0.00 -1.03 0.00 0.00 54.13 52.70 2air s LEU 7 Cb -0.05 -1.73 0.44 0.00 0.03 0.00 0.00 46.19 44.88 2air s LEU 7 CO -0.15 -0.16 1.37 0.00 0.23 0.00 0.00 176.35 177.64 2air n GLN 8 N 4.72 2.47 -0.01 1.70 6.02 -1.26 -4.54 117.38 126.49 2air n GLN 8 Ca -0.16 -2.27 -0.01 0.00 -0.01 0.00 0.00 57.00 54.56 2air n GLN 8 Cb 0.47 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 2air n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2air n VAL 9 N 1.31 0.08 -3.15 5.09 0.31 -1.26 -5.04 118.33 115.67 2air n VAL 9 Ca 0.18 -0.04 0.05 0.00 -0.01 0.00 0.00 64.34 64.52 2air n VAL 9 Cb 0.56 -0.83 -0.00 0.00 -0.91 0.00 0.00 33.84 32.65 2air n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2air s GLU 10 N -2.03 0.31 0.00 5.55 2.12 -1.26 -5.01 118.70 118.37 2air s GLU 10 Ca -0.01 0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.68 2air s GLU 10 Cb 0.00 0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2air s GLU 10 CO 0.04 -0.52 0.00 0.00 -0.54 0.00 0.00 175.26 174.24 2air n ALA 11 N 5.28 0.00 -3.39 6.30 0.00 -1.26 -4.98 120.51 122.46 2air n ALA 11 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.40 2air n ALA 11 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 2air n ALA 11 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2air s ILE 12 N -0.56 0.01 -5.00 0.00 1.01 -1.26 -5.13 121.20 110.27 2air s ILE 12 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2air s ILE 12 Cb 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2air s ILE 12 CO 0.00 -0.07 0.00 1.17 0.00 0.00 0.00 174.94 176.04 2air n LYS 13 N -0.37 -2.83 -1.11 2.79 3.00 -1.26 -5.03 118.16 113.35 2air n LYS 13 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.09 2air n LYS 13 Cb 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.58 2air n LYS 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2air n ARG 14 N -0.66 0.03 -3.48 1.64 0.63 -1.22 -4.32 116.66 109.28 2air n ARG 14 Ca 0.00 -0.83 -0.12 0.00 -0.92 0.00 0.00 57.85 55.98 2air n ARG 14 Cb 0.00 -2.39 -0.03 0.00 0.45 0.00 0.00 32.46 30.49 2air n ARG 14 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2air s GLY 15 N 5.04 -0.54 0.29 5.14 0.00 -1.21 0.92 107.32 116.98 2air s GLY 15 Ca 0.44 0.47 -0.14 0.00 0.00 0.00 0.00 44.72 45.49 2air s GLY 15 CO 0.14 0.15 0.70 -1.59 0.00 0.00 0.00 173.10 172.50 2air s THR 16 N -3.43 4.72 -0.05 0.90 2.01 -0.52 -1.65 115.64 117.62 2air s THR 16 Ca -0.00 0.89 -0.02 0.00 0.31 0.00 0.00 61.69 62.87 2air s THR 16 Cb -0.00 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.90 2air s THR 16 CO -0.10 -0.11 0.09 -0.69 -0.69 0.00 0.00 174.62 173.11 2air s VAL 17 N -1.89 -0.12 -0.09 3.82 1.01 -1.22 -1.99 120.40 119.91 2air s VAL 17 Ca 0.51 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2air s VAL 17 Cb -0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2air s VAL 17 CO 0.18 0.13 0.41 -0.63 0.00 0.00 0.00 175.10 175.19 2air s ILE 18 N 1.71 5.17 0.10 2.22 1.09 -0.15 -2.49 121.20 128.85 2air s ILE 18 Ca -0.02 0.81 0.07 0.00 -1.10 0.00 0.00 60.65 60.42 2air s ILE 18 Cb -0.12 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.51 2air s ILE 18 CO -0.04 0.43 -0.13 -0.62 -0.10 0.00 0.00 174.94 174.48 2air s ASP 19 N 0.01 4.21 -1.15 3.58 2.15 0.52 -3.19 116.67 122.80 2air s ASP 19 Ca 0.23 -0.43 -0.07 0.00 0.43 0.00 0.00 52.55 52.71 2air s ASP 19 Cb -0.15 -0.74 -0.03 0.00 -0.30 0.00 0.00 42.92 41.70 2air s ASP 19 CO 0.10 0.19 0.86 1.41 -0.17 0.00 0.00 175.17 177.55 2air n HIS 20 N 0.83 -2.18 -3.13 -5.34 8.25 -1.26 -1.00 115.22 111.40 2air n HIS 20 Ca -0.14 0.78 -0.39 0.00 -0.26 0.00 0.00 57.72 57.71 2air n HIS 20 Cb 0.52 -4.21 -0.05 0.00 1.12 0.00 0.00 29.99 27.37 2air n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2air s ILE 21 N -3.46 5.07 0.67 1.59 1.01 -0.94 -4.28 121.20 120.85 2air s ILE 21 Ca 0.28 1.24 -0.17 0.00 0.00 0.00 0.00 60.65 62.00 2air s ILE 21 Cb -0.06 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.45 2air s ILE 21 CO 0.78 0.21 1.09 -2.65 0.00 0.00 0.00 174.94 174.37 2air n PRO 22 N 4.25 0.80 -1.68 2.79 -0.02 -1.26 0.21 135.00 140.09 2air n PRO 22 Ca -0.03 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 2air n PRO 22 Cb 0.51 -2.32 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 2air n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2air n ALA 23 N -2.14 1.03 -1.00 3.55 0.00 -1.26 -2.02 120.51 118.67 2air n ALA 23 Ca 0.14 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.79 2air n ALA 23 Cb 0.48 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2air n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2air n GLN 24 N -0.21 -1.28 -0.00 0.00 1.13 -1.26 -4.77 117.38 110.99 2air n GLN 24 Ca 0.08 0.32 0.04 0.00 -1.94 0.00 0.00 57.00 55.51 2air n GLN 24 Cb 0.41 -4.29 -0.06 0.00 0.11 0.00 0.00 30.24 26.41 2air n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2air n ILE 25 N -2.35 0.00 0.01 5.09 2.08 -0.86 -4.43 119.36 118.90 2air n ILE 25 Ca 0.00 -0.24 -0.13 0.00 0.56 0.00 0.00 62.75 62.94 2air n ILE 25 Cb 0.32 0.58 -0.09 0.00 -0.75 0.00 0.00 39.64 39.70 2air n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2air h GLY 26 N 1.83 -0.06 1.75 7.39 0.00 -1.86 -2.73 103.07 109.38 2air h GLY 26 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 2air h GLY 26 CO 0.00 -0.02 -0.21 -2.75 0.00 0.00 0.00 176.54 173.56 2air h PHE 27 N -0.51 0.33 -0.58 5.60 3.57 -1.94 -2.57 116.94 120.84 2air h PHE 27 Ca -0.01 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.49 2air h PHE 27 Cb 0.46 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2air h PHE 27 CO 0.08 0.50 0.32 -0.22 -2.23 0.00 0.00 178.31 176.75 2air h LYS 28 N 0.28 0.59 -0.18 1.11 1.63 -1.76 -1.19 116.57 117.05 2air h LYS 28 Ca 0.05 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 2air h LYS 28 Cb 0.53 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 2air h LYS 28 CO 0.04 0.39 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.04 2air h LEU 29 N 0.60 0.37 -0.71 5.20 3.38 -1.16 0.13 115.31 123.13 2air h LEU 29 Ca 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2air h LEU 29 Cb 0.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2air h LEU 29 CO -0.15 0.67 0.21 -0.07 0.09 0.00 0.00 178.44 179.19 2air h LEU 30 N 0.31 1.05 0.14 1.67 3.38 -0.94 -1.73 115.31 119.19 2air h LEU 30 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2air h LEU 30 Cb 0.71 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2air h LEU 30 CO 0.05 0.98 -0.07 0.28 0.09 0.00 0.00 178.44 179.78 2air h SER 31 N 1.06 -0.16 -1.13 -0.43 0.02 -0.91 -1.73 113.55 110.27 2air h SER 31 Ca 0.23 0.01 0.31 0.00 -0.84 0.00 0.00 61.79 61.50 2air h SER 31 Cb 0.32 0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 2air h SER 31 CO -0.01 0.16 0.76 -0.07 -1.14 0.00 0.00 176.83 176.54 2air h LEU 32 N -0.73 0.24 -2.96 5.07 4.07 -0.82 -0.63 115.31 119.55 2air h LEU 32 Ca -0.02 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2air h LEU 32 Cb 0.14 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2air h LEU 32 CO 0.03 0.03 0.00 0.49 -1.08 0.00 0.00 178.44 177.91 2air n PHE 33 N -4.44 0.44 -4.18 1.13 3.01 -0.65 -4.84 117.46 107.92 2air n PHE 33 Ca 0.26 -0.57 -0.37 0.00 1.01 0.00 0.00 57.45 57.79 2air n PHE 33 Cb 1.08 -0.08 -0.04 0.00 -0.01 0.00 0.00 39.48 40.43 2air n PHE 33 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2air n LYS 34 N 0.13 -0.84 0.00 -1.08 5.02 -0.24 -4.79 118.16 116.36 2air n LYS 34 Ca 0.11 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 2air n LYS 34 Cb 0.47 -3.24 0.58 0.00 -0.02 0.00 0.00 35.03 32.82 2air n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2air n LEU 35 N -4.76 0.00 -1.19 -0.35 4.77 -0.78 -2.78 117.00 111.92 2air n LEU 35 Ca -0.24 0.31 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2air n LEU 35 Cb 0.64 -0.31 0.24 0.00 -2.33 0.00 0.00 43.42 41.66 2air n LEU 35 CO 0.80 -0.07 0.71 0.35 -1.33 0.00 0.00 177.39 177.86 2air n THR 36 N -1.31 0.62 1.96 -5.08 -2.24 -1.26 -4.10 114.28 102.87 2air n THR 36 Ca 0.11 -0.81 0.05 0.00 -2.27 0.00 0.00 64.05 61.13 2air n THR 36 Cb 0.20 0.88 0.31 0.00 -2.10 0.00 0.00 70.33 69.61 2air n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2air n GLU 37 N 1.51 1.03 -1.75 -0.78 -0.58 -1.12 -4.83 120.64 114.12 2air n GLU 37 Ca 0.20 -0.05 -0.30 0.00 -0.42 0.00 0.00 57.16 56.59 2air n GLU 37 Cb 0.61 -1.17 0.07 0.00 -0.57 0.00 0.00 31.44 30.37 2air n GLU 37 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2air s THR 38 N -1.99 3.18 -0.02 2.62 -4.23 -1.26 -4.96 115.64 108.99 2air s THR 38 Ca 0.16 0.38 0.12 0.00 -1.18 0.00 0.00 61.69 61.17 2air s THR 38 Cb 0.07 -3.28 -0.18 0.00 1.34 0.00 0.00 72.50 70.45 2air s THR 38 CO 0.12 -0.50 0.24 -0.67 -0.54 0.00 0.00 174.62 173.27 2air n ASP 39 N -3.21 2.28 -4.78 3.99 -0.08 -1.26 -4.97 116.55 108.52 2air n ASP 39 Ca 0.07 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.01 2air n ASP 39 Cb 0.57 1.48 0.01 0.00 2.34 0.00 0.00 41.12 45.52 2air n ASP 39 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2air s GLN 40 N -2.78 3.24 0.67 -0.67 -1.52 -1.26 -4.99 119.66 112.35 2air s GLN 40 Ca -0.04 1.41 -0.17 0.00 -1.95 0.00 0.00 55.36 54.61 2air s GLN 40 Cb 0.07 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.86 2air s GLN 40 CO 0.49 -0.90 1.23 1.03 -0.25 0.00 0.00 175.29 176.89 2air s ARG 41 N -3.72 2.45 -0.08 2.91 0.52 -1.26 -4.87 118.95 114.91 2air s ARG 41 Ca 0.68 1.86 -0.05 0.00 -0.52 0.00 0.00 55.73 57.71 2air s ARG 41 Cb -0.20 -1.86 0.03 0.00 0.52 0.00 0.00 34.95 33.45 2air s ARG 41 CO 0.33 -1.62 0.18 0.42 0.02 0.00 0.00 175.30 174.63 2air s ILE 42 N -1.72 -0.03 -0.19 1.52 1.01 -1.26 -1.14 121.20 119.39 2air s ILE 42 Ca 0.77 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.53 2air s ILE 42 Cb -0.32 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 41.92 2air s ILE 42 CO 0.41 0.04 -0.04 -0.89 0.00 0.00 0.00 174.94 174.47 2air s THR 43 N 0.83 1.13 0.16 2.92 2.01 0.41 -4.99 115.64 118.11 2air s THR 43 Ca -0.06 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.25 2air s THR 43 Cb -0.08 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 2air s THR 43 CO -0.05 -0.00 -0.19 -0.51 -0.69 0.00 0.00 174.62 173.18 2air s ILE 44 N 1.60 2.68 -0.02 1.82 2.07 -1.26 -0.10 121.20 127.99 2air s ILE 44 Ca -0.02 -1.77 -0.00 0.00 -1.41 0.00 0.00 60.65 57.45 2air s ILE 44 Cb -0.17 -2.27 0.03 0.00 0.13 0.00 0.00 42.46 40.18 2air s ILE 44 CO -0.07 -0.04 0.03 -0.83 -1.91 0.00 0.00 174.94 172.12 2air s GLY 45 N -2.51 0.12 0.22 1.50 0.00 0.12 -4.99 107.32 101.78 2air s GLY 45 Ca 0.20 0.29 0.11 0.00 0.00 0.00 0.00 44.72 45.32 2air s GLY 45 CO 0.11 0.81 -0.21 1.08 0.00 0.00 0.00 173.10 174.89 2air s LEU 46 N 1.26 2.49 -1.57 0.66 1.43 -1.26 0.17 118.68 121.86 2air s LEU 46 Ca -0.07 -0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 51.97 2air s LEU 46 Cb -0.13 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.13 2air s LEU 46 CO -0.03 0.05 0.85 0.59 0.23 0.00 0.00 176.35 178.04 2air n ASN 47 N -0.05 -3.65 -5.00 2.29 3.02 -0.19 -4.94 115.26 106.73 2air n ASN 47 Ca -0.10 -0.88 -0.19 0.00 -0.03 0.00 0.00 54.58 53.38 2air n ASN 47 Cb 0.58 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.32 2air n ASN 47 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2air s LEU 48 N -7.21 3.87 0.24 3.41 0.05 -0.28 -4.74 118.68 114.01 2air s LEU 48 Ca 0.59 -0.24 -0.31 0.00 0.05 0.00 0.00 54.13 54.23 2air s LEU 48 Cb -0.31 -2.74 -0.14 0.00 -2.05 0.00 0.00 46.19 40.95 2air s LEU 48 CO 0.87 -0.54 1.19 -2.65 -0.55 0.00 0.00 176.35 174.67 2air n PRO 49 N -1.72 1.51 0.00 1.48 -0.02 -1.26 -2.06 135.00 132.92 2air n PRO 49 Ca 0.02 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2air n PRO 49 Cb 0.58 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 2air n PRO 49 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2air n SER 50 N 1.72 0.00 -2.31 2.55 3.41 -1.25 -4.75 113.62 113.00 2air n SER 50 Ca 0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.66 2air n SER 50 Cb 0.29 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.16 2air n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2air n GLY 51 N 5.00 2.05 2.32 5.00 0.00 -1.26 -4.49 105.19 113.81 2air n GLY 51 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2air n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2air n GLU 52 N 2.85 -0.77 0.00 1.61 -0.58 -1.26 -4.76 120.64 117.72 2air n GLU 52 Ca 0.22 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.85 2air n GLU 52 Cb 0.44 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.45 2air n GLU 52 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2air n MET 53 N -2.67 0.00 0.00 3.49 1.56 -1.26 -5.16 117.12 113.07 2air n MET 53 Ca -0.11 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.32 2air n MET 53 Cb 0.37 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.74 2air n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2air n GLY 54 N 0.00 5.65 3.17 -5.12 0.00 -1.26 -5.04 105.19 102.59 2air n GLY 54 Ca 0.00 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 2air n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2air s ARG 55 N 4.61 0.57 0.25 1.61 1.81 -1.26 -3.93 118.95 122.61 2air s ARG 55 Ca 0.00 -0.33 -0.19 0.00 -1.72 0.00 0.00 55.73 53.49 2air s ARG 55 Cb 0.00 0.25 0.02 0.00 -0.45 0.00 0.00 34.95 34.77 2air s ARG 55 CO 0.00 -0.15 0.62 -1.59 -0.68 0.00 0.00 175.30 173.51 2air s LYS 56 N -1.44 1.63 0.21 3.54 -2.85 -0.88 -4.04 119.74 115.91 2air s LYS 56 Ca -0.14 -0.99 0.08 0.00 -1.00 0.00 0.00 55.97 53.92 2air s LYS 56 Cb -0.06 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 2air s LYS 56 CO 0.02 -0.72 0.03 -0.51 0.10 0.00 0.00 175.35 174.27 2air s ASP 57 N -2.92 4.84 -0.05 0.03 -0.00 0.57 -1.02 116.67 118.11 2air s ASP 57 Ca 0.13 -0.44 -0.02 0.00 -0.00 0.00 0.00 52.55 52.22 2air s ASP 57 Cb -0.04 -1.03 0.03 0.00 -0.00 0.00 0.00 42.92 41.88 2air s ASP 57 CO 0.04 0.04 0.11 -0.22 -0.00 0.00 0.00 175.17 175.14 2air s LEU 58 N -3.30 0.86 -0.16 1.23 2.96 0.45 -2.21 118.68 118.52 2air s LEU 58 Ca 0.30 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 2air s LEU 58 Cb -0.08 0.21 0.03 0.00 0.50 0.00 0.00 46.19 46.85 2air s LEU 58 CO 0.20 -0.14 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.34 2air s ILE 59 N 1.11 1.53 -0.23 6.68 1.01 -1.19 0.15 121.20 130.26 2air s ILE 59 Ca -0.09 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2air s ILE 59 Cb -0.12 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 40.90 2air s ILE 59 CO -0.05 0.36 -0.13 -0.54 0.00 0.00 0.00 174.94 174.58 2air s LYS 60 N 1.48 2.40 -0.24 2.79 1.02 0.86 -0.97 119.74 127.07 2air s LYS 60 Ca 0.03 -1.14 0.02 0.00 0.02 0.00 0.00 55.97 54.89 2air s LYS 60 Cb -0.14 -2.74 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 2air s LYS 60 CO -0.10 -0.46 -0.09 0.96 -0.92 0.00 0.00 175.35 174.74 2air s ILE 61 N 1.19 1.87 0.90 2.17 -4.36 -0.84 0.16 121.20 122.29 2air s ILE 61 Ca -0.04 -1.40 -0.11 0.00 -0.26 0.00 0.00 60.65 58.84 2air s ILE 61 Cb -0.18 -2.03 0.13 0.00 1.25 0.00 0.00 42.46 41.64 2air s ILE 61 CO -0.08 -0.02 1.10 -1.61 0.24 0.00 0.00 174.94 174.57 2air s GLU 62 N 1.25 1.20 -1.34 0.37 2.02 -0.29 -2.57 118.70 119.33 2air s GLU 62 Ca -0.07 1.05 -0.15 0.00 0.02 0.00 0.00 54.97 55.82 2air s GLU 62 Cb -0.19 -1.78 0.01 0.00 0.10 0.00 0.00 34.13 32.27 2air s GLU 62 CO -0.06 -2.35 0.44 -1.71 0.02 0.00 0.00 175.26 171.60 2air n ASN 63 N -3.99 -1.96 -3.64 -0.19 5.15 0.26 -4.40 115.26 106.49 2air n ASN 63 Ca 0.08 -1.18 -0.05 0.00 -0.60 0.00 0.00 54.58 52.82 2air n ASN 63 Cb 0.54 -2.24 -0.07 0.00 -0.53 0.00 0.00 39.78 37.49 2air n ASN 63 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2air s THR 64 N -3.87 0.00 0.34 -0.44 -1.32 -1.24 -4.96 115.64 104.16 2air s THR 64 Ca 0.24 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.79 2air s THR 64 Cb -0.11 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.84 2air s THR 64 CO 0.94 0.00 0.22 -0.36 -2.21 0.00 0.00 174.62 173.22 2air s PHE 65 N 0.42 2.79 0.29 9.09 0.08 -1.26 -1.44 117.98 127.94 2air s PHE 65 Ca 0.02 -0.36 0.10 0.00 0.12 0.00 0.00 56.93 56.81 2air s PHE 65 Cb -0.05 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 2air s PHE 65 CO -0.11 0.24 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.01 2air s LEU 66 N -3.93 2.93 0.00 -0.37 2.96 -1.26 -5.01 118.68 114.00 2air s LEU 66 Ca 0.40 -0.86 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 2air s LEU 66 Cb -0.04 -1.42 0.00 0.00 0.50 0.00 0.00 46.19 45.24 2air s LEU 66 CO 0.25 -0.03 0.00 -1.54 -1.32 0.00 0.00 176.35 173.70 2air n SER 67 N -0.81 1.38 -0.02 3.68 3.41 -1.26 -4.97 113.62 115.03 2air n SER 67 Ca -0.05 -0.96 -0.10 0.00 -0.26 0.00 0.00 58.87 57.49 2air n SER 67 Cb 0.60 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.46 2air n SER 67 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2air h GLU 68 N 0.00 -0.07 -0.98 4.33 4.81 -2.01 -2.48 114.58 118.19 2air h GLU 68 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2air h GLU 68 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2air h GLU 68 CO 0.00 0.53 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 2air n ASP 69 N -4.76 1.39 0.02 1.04 5.75 -1.26 -2.46 116.55 116.27 2air n ASP 69 Ca -0.07 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 2air n ASP 69 Cb 0.31 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 2air n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2air n GLN 70 N 0.37 0.00 -0.36 0.11 6.02 -1.22 -4.56 117.38 117.73 2air n GLN 70 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2air n GLN 70 Cb 0.26 -0.30 0.17 0.00 1.02 0.00 0.00 30.24 31.39 2air n GLN 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2air h VAL 71 N 0.00 1.08 -0.99 5.09 2.07 -1.40 0.10 116.25 122.20 2air h VAL 71 Ca 0.00 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 67.23 2air h VAL 71 Cb 0.49 -0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.02 2air h VAL 71 CO 0.00 0.21 0.63 0.44 0.02 0.00 0.00 177.57 178.87 2air h ASP 72 N 1.14 0.94 0.00 0.57 3.32 -1.73 -0.02 116.42 120.65 2air h ASP 72 Ca 0.43 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.51 2air h ASP 72 Cb 0.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2air h ASP 72 CO -0.18 0.53 0.10 0.00 -1.72 0.00 0.00 179.24 177.97 2air n GLN 73 N -4.60 0.00 0.04 3.56 1.13 0.36 0.12 117.38 117.99 2air n GLN 73 Ca 0.18 0.33 0.12 0.00 -1.94 0.00 0.00 57.00 55.69 2air n GLN 73 Cb 0.31 -1.60 0.12 0.00 0.11 0.00 0.00 30.24 29.18 2air n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2air n LEU 74 N -1.32 0.65 -0.20 1.08 7.99 -0.02 -4.38 117.00 120.81 2air n LEU 74 Ca 0.00 0.11 -0.03 0.00 -0.01 0.00 0.00 56.01 56.08 2air n LEU 74 Cb 0.10 -0.15 0.03 0.00 -0.11 0.00 0.00 43.42 43.29 2air n LEU 74 CO 0.00 0.00 0.68 0.00 -1.51 0.00 0.00 177.39 176.56 2air h ALA 75 N 2.57 0.17 0.00 -1.18 0.00 0.76 0.90 119.26 122.48 2air h ALA 75 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2air h ALA 75 Cb 0.72 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2air h ALA 75 CO 0.00 -0.56 -0.01 1.25 0.00 0.00 0.00 179.25 179.93 2air h LEU 76 N -0.10 0.00 0.00 0.00 5.85 -1.77 -3.16 115.31 116.13 2air h LEU 76 Ca 0.26 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.78 2air h LEU 76 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2air h LEU 76 CO -0.65 0.01 -1.70 -1.22 -0.34 0.00 0.00 178.44 174.54 2air n TYR 77 N -3.13 0.00 -3.85 1.25 4.02 -0.27 -4.85 117.16 110.33 2air n TYR 77 Ca -0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.59 2air n TYR 77 Cb 0.22 -0.45 -0.11 0.00 -0.02 0.00 0.00 39.34 38.98 2air n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2air n ALA 78 N -3.51 3.50 0.11 -0.72 0.00 0.30 -4.90 120.51 115.29 2air n ALA 78 Ca -0.24 -4.55 -0.04 0.00 0.00 0.00 0.00 53.44 48.60 2air n ALA 78 Cb 0.68 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 2air n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2air h PRO 79 N 5.43 -0.28 -1.83 0.00 0.11 -1.65 -3.23 132.00 130.55 2air h PRO 79 Ca 0.15 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 2air h PRO 79 Cb 0.76 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2air h PRO 79 CO 0.74 -0.19 0.04 1.04 -0.21 0.00 0.00 178.00 179.43 2air n GLN 80 N -2.79 1.08 -4.00 1.05 3.00 -1.26 -4.38 117.38 110.09 2air n GLN 80 Ca -0.04 -0.16 -0.35 0.00 -0.01 0.00 0.00 57.00 56.44 2air n GLN 80 Cb 0.11 -1.06 -0.08 0.00 0.00 0.00 0.00 30.24 29.21 2air n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2air s ALA 81 N -0.18 3.55 0.09 -1.58 0.00 -1.22 -4.81 121.76 117.61 2air s ALA 81 Ca 0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2air s ALA 81 Cb 0.02 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.21 2air s ALA 81 CO 0.00 0.37 0.29 0.99 0.00 0.00 0.00 175.76 177.42 2air s THR 82 N -0.25 5.27 -0.42 0.00 2.01 -0.17 -4.20 115.64 117.89 2air s THR 82 Ca 0.09 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2air s THR 82 Cb -0.12 -3.61 0.12 0.00 0.01 0.00 0.00 72.50 68.90 2air s THR 82 CO 0.01 0.14 0.20 -0.69 -0.69 0.00 0.00 174.62 173.59 2air s VAL 83 N -1.53 1.62 -0.56 3.82 1.01 -1.15 0.20 120.40 123.80 2air s VAL 83 Ca 0.36 -2.48 -0.26 0.00 0.00 0.00 0.00 61.98 59.60 2air s VAL 83 Cb -0.13 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2air s VAL 83 CO 0.24 -0.81 1.08 0.20 0.00 0.00 0.00 175.10 175.81 2air s ASN 84 N 0.51 6.41 0.33 3.32 0.01 -1.04 -4.78 114.94 119.70 2air s ASN 84 Ca 0.15 -0.07 -0.29 0.00 -0.71 0.00 0.00 52.86 51.94 2air s ASN 84 Cb -0.23 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 38.82 2air s ASN 84 CO -0.05 -1.35 1.55 -0.13 -1.51 0.00 0.00 177.10 175.61 2air s ARG 85 N 4.48 4.11 -0.31 -0.60 0.52 -1.26 -3.42 118.95 122.46 2air s ARG 85 Ca 0.38 2.59 0.12 0.00 -0.52 0.00 0.00 55.73 58.30 2air s ARG 85 Cb -0.10 -2.99 0.47 0.00 0.52 0.00 0.00 34.95 32.85 2air s ARG 85 CO 0.23 -0.60 1.13 -0.89 0.02 0.00 0.00 175.30 175.19 2air n ILE 86 N 1.39 1.99 0.29 1.52 5.41 -0.66 -3.37 119.36 125.93 2air n ILE 86 Ca 0.05 -3.84 0.16 0.00 1.00 0.00 0.00 62.75 60.12 2air n ILE 86 Cb 0.38 -0.28 0.81 0.00 -0.71 0.00 0.00 39.64 39.84 2air n ILE 86 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2air h ASP 87 N 2.45 0.00 0.00 4.38 1.82 -1.75 -3.19 116.42 120.13 2air h ASP 87 Ca 0.17 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2air h ASP 87 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2air h ASP 87 CO 0.58 0.00 0.00 0.59 -1.61 0.00 0.00 179.24 178.80 2air n ASN 88 N -2.69 0.00 -1.03 2.28 4.13 -1.26 -4.33 115.26 112.36 2air n ASN 88 Ca -0.01 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 2air n ASN 88 Cb 0.13 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.32 2air n ASN 88 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2air n TYR 89 N 0.00 -0.06 -0.42 3.10 4.02 -1.22 -4.88 117.16 117.70 2air n TYR 89 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 2air n TYR 89 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 39.34 36.91 2air n TYR 89 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2air n GLU 90 N -2.59 0.85 -3.40 -0.72 -0.58 -1.25 -4.79 120.64 108.16 2air n GLU 90 Ca -0.13 -0.19 -0.31 0.00 -0.42 0.00 0.00 57.16 56.11 2air n GLU 90 Cb 0.44 -1.36 -0.04 0.00 -0.57 0.00 0.00 31.44 29.90 2air n GLU 90 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2air s VAL 91 N 0.98 4.99 0.00 2.62 1.01 -1.26 -4.92 120.40 123.82 2air s VAL 91 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2air s VAL 91 Cb 0.06 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2air s VAL 91 CO 0.00 -0.16 0.00 0.52 0.00 0.00 0.00 175.10 175.46 2air n VAL 92 N -0.43 0.00 -1.69 2.92 0.31 -1.26 -5.06 118.33 113.13 2air n VAL 92 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.01 2air n VAL 92 Cb 0.53 -0.48 0.04 0.00 -0.91 0.00 0.00 33.84 33.01 2air n VAL 92 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2air s GLY 93 N -1.32 1.69 -0.97 2.92 0.00 -1.26 -4.84 107.32 103.53 2air s GLY 93 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.50 2air s GLY 93 CO 0.00 0.34 2.24 0.54 0.00 0.00 0.00 173.10 176.22 2air s LYS 94 N -5.04 1.28 -0.63 2.90 1.02 -1.26 -4.81 119.74 113.20 2air s LYS 94 Ca 0.57 -0.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.25 2air s LYS 94 Cb -0.13 -4.90 -0.08 0.00 -0.52 0.00 0.00 37.83 32.20 2air s LYS 94 CO 0.54 -5.17 2.31 -1.54 -0.92 0.00 0.00 175.35 170.57 2air s SER 95 N 9.51 4.41 -0.02 2.83 1.04 -1.26 -4.94 113.70 125.28 2air s SER 95 Ca 0.86 0.54 0.02 0.00 0.48 0.00 0.00 55.95 57.86 2air s SER 95 Cb -0.08 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2air s SER 95 CO 0.14 -3.12 -0.07 -0.13 0.98 0.00 0.00 173.24 171.05 2air s ARG 96 N 8.22 0.72 -0.17 4.02 0.52 -1.26 -2.93 118.95 128.07 2air s ARG 96 Ca 0.90 -0.22 -0.32 0.00 -0.52 0.00 0.00 55.73 55.58 2air s ARG 96 Cb -0.14 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.53 2air s ARG 96 CO 0.18 0.07 2.09 -2.30 0.02 0.00 0.00 175.30 175.36 2air n PRO 97 N 3.33 1.97 -3.12 3.54 -0.02 -1.26 -4.90 135.00 134.55 2air n PRO 97 Ca -0.18 0.63 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 2air n PRO 97 Cb 0.55 -2.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2air n PRO 97 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2air s SER 98 N 6.39 5.56 -0.18 2.55 0.01 -1.26 -4.69 113.70 122.08 2air s SER 98 Ca 0.99 -0.47 -0.29 0.00 1.31 0.00 0.00 55.95 57.48 2air s SER 98 Cb -0.56 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.01 2air s SER 98 CO 0.44 -0.73 1.14 -0.76 0.41 0.00 0.00 173.24 173.73 2air s LEU 99 N -4.31 4.16 0.72 2.44 1.43 -1.26 -4.50 118.68 117.36 2air s LEU 99 Ca 0.54 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 2air s LEU 99 Cb -0.09 -3.54 0.03 0.00 0.03 0.00 0.00 46.19 42.62 2air s LEU 99 CO 0.32 -0.68 1.09 -2.84 0.23 0.00 0.00 176.35 174.48 2air s PRO 100 N 3.11 2.55 0.27 1.29 0.02 -1.26 -4.95 135.00 136.03 2air s PRO 100 Ca 0.50 1.21 0.14 0.00 0.02 0.00 0.00 61.00 62.87 2air s PRO 100 Cb -0.19 -1.93 0.20 0.00 0.02 0.00 0.00 34.50 32.60 2air s PRO 100 CO 0.12 -1.42 1.50 0.93 -0.33 0.00 0.00 177.00 177.80 2air h GLU 101 N -0.65 0.00 -4.07 5.54 5.08 -1.95 -3.42 114.58 115.11 2air h GLU 101 Ca -0.45 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.66 2air h GLU 101 Cb 1.23 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.23 2air h GLU 101 CO 0.53 0.60 -0.73 1.03 -1.00 0.00 0.00 179.01 179.44 2air s ARG 102 N -3.14 0.26 -0.22 2.33 0.52 -1.26 -1.01 118.95 116.43 2air s ARG 102 Ca 0.02 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 2air s ARG 102 Cb 0.10 -0.14 0.05 0.00 0.52 0.00 0.00 34.95 35.48 2air s ARG 102 CO 0.75 0.03 -0.06 0.42 0.02 0.00 0.00 175.30 176.46 2air s ILE 103 N -0.52 1.47 0.40 1.52 1.01 -0.43 -4.98 121.20 119.67 2air s ILE 103 Ca -0.04 -1.10 0.08 0.00 0.00 0.00 0.00 60.65 59.59 2air s ILE 103 Cb -0.04 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 2air s ILE 103 CO -0.00 -0.03 0.21 -1.81 0.00 0.00 0.00 174.94 173.31 2air s ASP 104 N 1.44 4.57 0.00 3.58 1.01 -1.26 -1.85 116.67 124.16 2air s ASP 104 Ca -0.04 -0.98 0.00 0.00 0.71 0.00 0.00 52.55 52.24 2air s ASP 104 Cb -0.18 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.22 2air s ASP 104 CO -0.07 -0.53 0.00 0.59 0.21 0.00 0.00 175.17 175.37 2air n ASN 105 N -1.28 0.00 -0.03 0.27 3.02 -0.65 -4.59 115.26 112.00 2air n ASN 105 Ca -0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 2air n ASN 105 Cb 0.64 -1.72 -0.03 0.00 -0.61 0.00 0.00 39.78 38.06 2air n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2air n VAL 106 N -1.75 0.35 -1.35 2.41 0.24 -1.26 -4.84 118.33 112.13 2air n VAL 106 Ca 0.00 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 2air n VAL 106 Cb 0.00 -1.17 0.09 0.00 -1.47 0.00 0.00 33.84 31.29 2air n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2air s LEU 107 N -5.87 3.11 -0.12 1.34 1.43 -1.26 -5.05 118.68 112.26 2air s LEU 107 Ca -0.08 1.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.93 2air s LEU 107 Cb 0.03 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.73 2air s LEU 107 CO 0.12 -2.02 -0.12 -0.69 0.23 0.00 0.00 176.35 173.87 2air s VAL 108 N -2.73 1.35 0.16 -1.59 1.01 -1.26 -4.72 120.40 112.62 2air s VAL 108 Ca 0.63 -0.52 -0.32 0.00 0.00 0.00 0.00 61.98 61.77 2air s VAL 108 Cb -0.19 -1.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.81 2air s VAL 108 CO 0.52 0.42 1.79 0.00 0.00 0.00 0.00 175.10 177.83 2air h PRO 110 N 7.75 0.00 -6.16 0.00 0.11 -1.92 -3.42 132.00 128.36 2air h PRO 110 Ca -0.45 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.12 2air h PRO 110 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2air h PRO 110 CO 0.95 0.13 1.29 1.21 -0.21 0.00 0.00 178.00 181.37 2air s ASN 111 N -6.00 5.65 0.57 -2.05 2.47 -1.26 -4.87 114.94 109.44 2air s ASN 111 Ca -0.01 0.82 0.27 0.00 0.42 0.00 0.00 52.86 54.36 2air s ASN 111 Cb 0.11 -2.53 1.67 0.00 -1.45 0.00 0.00 41.25 39.05 2air s ASN 111 CO 0.59 -1.99 2.21 0.77 -3.72 0.00 0.00 177.10 174.96 2air h SER 112 N 13.61 0.00 -0.37 -4.21 4.64 -2.02 -1.59 113.55 123.60 2air h SER 112 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2air h SER 112 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2air h SER 112 CO 1.12 0.03 0.00 -3.20 -0.87 0.00 0.00 176.83 173.91 2air n ASN 113 N -3.91 2.20 -4.73 4.97 5.15 -1.26 -4.91 115.26 112.77 2air n ASN 113 Ca -0.03 -1.95 -0.42 0.00 -0.60 0.00 0.00 54.58 51.59 2air n ASN 113 Cb 0.11 -0.25 -0.03 0.00 -0.53 0.00 0.00 39.78 39.08 2air n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2air h ILE 115 N 4.08 0.56 0.00 0.00 6.09 -1.90 -2.99 117.51 123.35 2air h ILE 115 Ca -0.43 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.06 2air h ILE 115 Cb 1.21 0.91 -0.00 0.00 0.47 0.00 0.00 36.82 39.41 2air h ILE 115 CO 0.80 0.00 -0.00 0.77 -3.07 0.00 0.00 178.15 176.65 2air h SER 116 N 0.00 0.00 -0.08 2.19 4.64 -1.93 -3.29 113.55 115.08 2air h SER 116 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 2air h SER 116 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2air h SER 116 CO -0.00 0.00 -0.01 0.45 -0.87 0.00 0.00 176.83 176.40 2air h HIS 117 N 0.00 0.16 -0.68 4.77 3.86 -1.90 -3.26 115.15 118.10 2air h HIS 117 Ca -0.00 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.00 2air h HIS 117 Cb 0.00 -0.04 -0.11 0.00 1.06 0.00 0.00 27.41 28.33 2air h HIS 117 CO 0.00 0.45 0.22 0.00 0.86 0.00 0.00 177.93 179.47 2air n ALA 118 N -2.31 4.38 -2.41 2.45 0.00 -1.24 -4.97 120.51 116.42 2air n ALA 118 Ca -0.07 -2.11 -0.19 0.00 0.00 0.00 0.00 53.44 51.08 2air n ALA 118 Cb 0.22 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 2air n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2air s GLU 119 N -2.79 1.20 -1.56 0.00 0.41 -1.23 -5.05 118.70 109.67 2air s GLU 119 Ca 0.51 -1.42 -0.11 0.00 -0.41 0.00 0.00 54.97 53.55 2air s GLU 119 Cb 0.41 -1.06 -0.04 0.00 -1.78 0.00 0.00 34.13 31.65 2air s GLU 119 CO 0.13 0.19 2.75 -2.30 -0.49 0.00 0.00 175.26 175.54 2air n PRO 120 N 0.09 3.59 -4.26 0.39 -0.02 -1.26 -4.86 135.00 128.66 2air n PRO 120 Ca -0.12 -2.40 -0.14 0.00 -2.02 0.00 0.00 63.50 58.82 2air n PRO 120 Cb 0.58 -2.90 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 2air n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2air s VAL 121 N 2.12 1.00 0.04 -1.45 -7.23 -1.26 -5.15 120.40 108.47 2air s VAL 121 Ca 0.63 -2.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 2air s VAL 121 Cb 0.17 -1.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.06 2air s VAL 121 CO -0.07 -0.62 0.39 -0.44 -0.31 0.00 0.00 175.10 174.05 2air s SER 122 N -3.19 6.69 0.74 4.85 0.01 -1.26 -5.04 113.70 116.50 2air s SER 122 Ca 0.20 0.84 -0.13 0.00 1.31 0.00 0.00 55.95 58.17 2air s SER 122 Cb 0.04 -2.20 0.04 0.00 0.21 0.00 0.00 66.02 64.12 2air s SER 122 CO 0.02 0.25 1.13 -0.94 0.41 0.00 0.00 173.24 174.11 2air s SER 123 N -1.45 4.46 -0.30 2.44 1.04 -1.26 -4.81 113.70 113.83 2air s SER 123 Ca 0.28 2.04 -0.12 0.00 0.48 0.00 0.00 55.95 58.63 2air s SER 123 Cb -0.15 -2.55 0.12 0.00 0.10 0.00 0.00 66.02 63.54 2air s SER 123 CO 0.15 -2.07 0.70 -0.55 0.98 0.00 0.00 173.24 172.45 2air s SER 124 N -2.74 -1.03 -0.02 7.02 0.15 -1.26 -1.63 113.70 114.19 2air s SER 124 Ca 0.67 1.47 0.04 0.00 0.70 0.00 0.00 55.95 58.82 2air s SER 124 Cb -0.21 2.03 -0.01 0.00 -1.71 0.00 0.00 66.02 66.12 2air s SER 124 CO 0.49 -0.21 -0.14 -0.36 1.20 0.00 0.00 173.24 174.22 2air s PHE 125 N 2.56 1.28 0.24 3.44 0.40 -0.77 -0.39 117.98 124.74 2air s PHE 125 Ca -0.07 -0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 55.78 2air s PHE 125 Cb -0.10 -0.84 -0.08 0.00 0.51 0.00 0.00 43.02 42.51 2air s PHE 125 CO -0.19 -0.05 0.77 0.00 0.70 0.00 0.00 175.22 176.45 2air s ALA 126 N -0.21 3.38 -0.08 5.36 0.00 0.12 -1.31 121.76 129.01 2air s ALA 126 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2air s ALA 126 Cb -0.07 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2air s ALA 126 CO -0.00 0.30 -0.08 0.08 0.00 0.00 0.00 175.76 176.06 2air s VAL 127 N -1.52 3.61 -0.08 0.00 1.01 -0.18 -1.17 120.40 122.06 2air s VAL 127 Ca 0.44 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 2air s VAL 127 Cb -0.17 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.77 2air s VAL 127 CO 0.22 0.58 0.17 -0.13 0.00 0.00 0.00 175.10 175.94 2air s ARG 128 N -0.52 0.08 0.06 2.72 0.52 -0.49 -4.87 118.95 116.45 2air s ARG 128 Ca 0.08 0.52 -0.28 0.00 -0.52 0.00 0.00 55.73 55.53 2air s ARG 128 Cb -0.12 -0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 2air s ARG 128 CO 0.02 -0.25 0.87 0.21 0.02 0.00 0.00 175.30 176.17 2air s LYS 129 N 1.85 4.59 0.33 3.54 2.36 -1.26 -0.27 119.74 130.87 2air s LYS 129 Ca -0.02 1.26 0.09 0.00 -2.55 0.00 0.00 55.97 54.75 2air s LYS 129 Cb -0.12 -3.38 -0.06 0.00 -1.05 0.00 0.00 37.83 33.22 2air s LYS 129 CO -0.06 0.21 -0.10 1.03 1.55 0.00 0.00 175.35 177.97 2air s ARG 130 N 0.11 1.77 -0.37 4.03 3.00 0.19 -4.90 118.95 122.78 2air s ARG 130 Ca 0.43 -1.90 -0.29 0.00 0.00 0.00 0.00 55.73 53.98 2air s ARG 130 Cb -0.22 -1.64 -0.00 0.00 0.00 0.00 0.00 34.95 33.09 2air s ARG 130 CO 0.26 0.15 1.57 0.00 0.00 0.00 0.00 175.30 177.29 2air s ALA 131 N -2.65 2.99 0.00 2.13 0.00 -1.26 -2.06 121.76 120.91 2air s ALA 131 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2air s ALA 131 Cb 0.02 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2air s ALA 131 CO 0.16 -2.46 0.00 0.09 0.00 0.00 0.00 175.76 173.55 2air n ASN 132 N 9.37 -2.08 -3.76 0.00 3.02 -1.26 -4.96 115.26 115.58 2air n ASN 132 Ca 0.19 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.65 2air n ASN 132 Cb 0.47 -0.86 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 2air n ASN 132 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2air s ASP 133 N -2.34 0.03 -0.04 6.41 2.15 -0.88 -5.12 116.67 116.89 2air s ASP 133 Ca 0.00 -0.98 -0.01 0.00 0.43 0.00 0.00 52.55 51.99 2air s ASP 133 Cb 0.00 0.65 0.03 0.00 -0.30 0.00 0.00 42.92 43.30 2air s ASP 133 CO 0.00 -1.25 0.04 -0.63 -0.17 0.00 0.00 175.17 173.16 2air s ILE 134 N -3.69 -0.03 -0.15 4.11 1.01 -1.26 0.55 121.20 121.74 2air s ILE 134 Ca 0.21 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 2air s ILE 134 Cb -0.02 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 2air s ILE 134 CO 0.11 0.17 0.35 0.00 0.00 0.00 0.00 174.94 175.56 2air s ALA 135 N 1.84 3.56 -0.19 9.38 0.00 0.63 -0.73 121.76 136.25 2air s ALA 135 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2air s ALA 135 Cb -0.12 -2.48 0.03 0.00 0.00 0.00 0.00 23.12 20.55 2air s ALA 135 CO -0.03 0.04 -0.18 -0.51 0.00 0.00 0.00 175.76 175.08 2air s LEU 136 N 0.58 2.30 -0.27 0.00 1.43 0.12 -1.39 118.68 121.45 2air s LEU 136 Ca 0.19 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 2air s LEU 136 Cb -0.14 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2air s LEU 136 CO 0.06 -0.04 0.13 -0.75 0.23 0.00 0.00 176.35 175.97 2air s LYS 137 N 1.28 3.67 0.15 1.70 2.20 -0.32 -1.92 119.74 126.50 2air s LYS 137 Ca 0.03 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 2air s LYS 137 Cb -0.14 -3.48 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 2air s LYS 137 CO -0.11 -0.24 1.63 0.00 -0.36 0.00 0.00 175.35 176.26 2air h LYS 139 N 7.22 0.33 0.00 0.00 3.64 -1.08 -1.02 116.57 125.66 2air h LYS 139 Ca -0.43 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2air h LYS 139 Cb 1.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2air h LYS 139 CO 0.93 0.22 -0.03 1.88 -2.27 0.00 0.00 179.45 180.18 2air h TYR 140 N 0.34 0.00 0.00 1.91 0.05 -1.90 -3.40 116.97 113.96 2air h TYR 140 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 2air h TYR 140 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2air h TYR 140 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.11 2air n GLU 142 N -2.35 -0.97 -3.40 0.00 1.02 -0.39 -5.01 120.64 109.54 2air n GLU 142 Ca 0.05 0.90 -0.35 0.00 -0.02 0.00 0.00 57.16 57.73 2air n GLU 142 Cb 0.39 -5.01 -0.06 0.00 -0.02 0.00 0.00 31.44 26.74 2air n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2air s LYS 143 N -3.52 3.95 -0.12 3.49 -0.14 -1.26 -4.77 119.74 117.38 2air s LYS 143 Ca 0.00 0.44 0.02 0.00 -1.36 0.00 0.00 55.97 55.07 2air s LYS 143 Cb 0.00 -2.97 -0.01 0.00 -1.68 0.00 0.00 37.83 33.17 2air s LYS 143 CO 0.00 0.51 -0.17 -2.00 -0.76 0.00 0.00 175.35 172.93 2air s GLU 144 N -1.87 3.23 0.41 1.68 2.12 -1.26 -1.54 118.70 121.47 2air s GLU 144 Ca 0.36 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.96 2air s GLU 144 Cb -0.15 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 2air s GLU 144 CO 0.19 0.21 0.12 1.19 -0.54 0.00 0.00 175.26 176.43 2air n PHE 145 N 3.48 0.28 -3.93 5.30 3.72 -0.81 -4.93 117.46 120.58 2air n PHE 145 Ca -0.18 -2.53 -0.32 0.00 -0.05 0.00 0.00 57.45 54.37 2air n PHE 145 Cb 0.53 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 2air n PHE 145 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2air s SER 146 N -3.48 6.27 0.59 4.37 1.04 -1.26 -0.70 113.70 120.54 2air s SER 146 Ca 0.17 0.27 0.29 0.00 0.48 0.00 0.00 55.95 57.16 2air s SER 146 Cb 0.01 -1.92 1.63 0.00 0.10 0.00 0.00 66.02 65.84 2air s SER 146 CO 0.12 0.21 2.06 1.12 0.98 0.00 0.00 173.24 177.73 2air h HIS 147 N 3.41 0.00 -0.26 5.02 2.07 -1.30 0.47 115.15 124.56 2air h HIS 147 Ca -0.47 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.01 2air h HIS 147 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 2air h HIS 147 CO 0.63 0.00 -0.03 -0.91 -3.07 0.00 0.00 177.93 174.55 2air h ASN 148 N 0.00 0.37 0.02 3.10 2.35 -1.93 0.46 115.58 119.94 2air h ASN 148 Ca 0.11 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2air h ASN 148 Cb 0.63 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2air h ASN 148 CO -0.00 0.45 -0.01 0.58 -1.65 0.00 0.00 177.43 176.80 2air h VAL 149 N 0.38 1.47 0.00 2.81 2.07 -0.47 -3.20 116.25 119.32 2air h VAL 149 Ca 0.08 -1.75 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2air h VAL 149 Cb 0.30 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 2air h VAL 149 CO 0.01 0.43 -0.03 0.58 0.02 0.00 0.00 177.57 178.59 2air h VAL 150 N -0.82 0.35 -0.02 2.57 2.07 -1.16 -2.26 116.25 116.98 2air h VAL 150 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2air h VAL 150 Cb 0.73 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2air h VAL 150 CO 0.00 0.03 -0.23 0.18 0.02 0.00 0.00 177.57 177.58 2air n LEU 151 N -3.52 1.91 0.00 2.57 4.77 0.13 -4.59 117.00 118.26 2air n LEU 151 Ca -0.02 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2air n LEU 151 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2air n LEU 151 CO 0.26 0.34 0.00 0.00 -1.33 0.00 0.00 177.39 176.66 2air n ALA 152 N 0.17 0.93 -0.90 -1.18 0.00 -0.89 -5.07 120.51 113.57 2air n ALA 152 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2air n ALA 152 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2air n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79