#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2air s THR 2 N 0.00 0.30 -0.43 1.12 -4.23 -1.26 -5.08 115.64 106.06 2air s THR 2 Ca 0.00 -0.26 -0.28 0.00 -1.18 0.00 0.00 61.69 59.97 2air s THR 2 Cb 0.00 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.08 2air s THR 2 CO 0.00 -0.10 1.55 -1.00 -0.54 0.00 0.00 174.62 174.53 2air s HIS 3 N 1.97 2.16 0.00 3.99 4.02 -1.26 -4.93 115.29 121.24 2air s HIS 3 Ca 0.01 0.64 0.00 0.00 1.02 0.00 0.00 55.06 56.73 2air s HIS 3 Cb -0.15 -4.26 0.00 0.00 -1.02 0.00 0.00 32.58 27.15 2air s HIS 3 CO -0.07 -2.28 0.20 -3.47 1.02 0.00 0.00 174.74 170.14 2air n ASP 4 N 9.63 0.00 -3.81 1.40 -0.08 -1.26 -4.94 116.55 117.49 2air n ASP 4 Ca 0.18 0.20 -0.35 0.00 -1.51 0.00 0.00 54.79 53.31 2air n ASP 4 Cb 0.48 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.96 2air n ASP 4 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2air n ASN 5 N -0.31 -4.28 -4.30 1.67 2.85 -1.26 -4.95 115.26 104.68 2air n ASN 5 Ca 0.00 0.42 -0.38 0.00 -0.11 0.00 0.00 54.58 54.51 2air n ASN 5 Cb 0.00 -0.75 -0.12 0.00 1.24 0.00 0.00 39.78 40.15 2air n ASN 5 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2air s LYS 6 N -1.30 2.70 0.00 1.20 2.36 -1.26 -5.02 119.74 118.42 2air s LYS 6 Ca 0.46 -1.13 0.00 0.00 -2.55 0.00 0.00 55.97 52.74 2air s LYS 6 Cb -0.34 -3.52 0.00 0.00 -1.05 0.00 0.00 37.83 32.93 2air s LYS 6 CO 0.67 -0.66 0.00 1.47 1.55 0.00 0.00 175.35 178.38 2air n LEU 7 N 4.86 0.00 -2.79 5.43 -0.00 -1.26 -5.08 117.00 118.15 2air n LEU 7 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.87 2air n LEU 7 Cb 0.45 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.94 2air n LEU 7 CO 0.33 0.00 0.11 0.00 -0.00 0.00 0.00 177.39 177.82 2air n GLN 8 N -0.14 1.62 -3.95 1.47 1.13 -1.26 -4.98 117.38 111.26 2air n GLN 8 Ca 0.00 -3.06 -0.28 0.00 -1.94 0.00 0.00 57.00 51.72 2air n GLN 8 Cb 0.00 -1.20 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 2air n GLN 8 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2air n VAL 9 N -0.73 -2.65 0.00 5.09 0.31 -1.26 -4.90 118.33 114.18 2air n VAL 9 Ca 0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2air n VAL 9 Cb 0.82 -2.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 2air n VAL 9 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2air n GLU 10 N -4.44 0.00 -2.72 5.55 -0.58 -1.26 -4.92 120.64 112.26 2air n GLU 10 Ca -0.14 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.17 2air n GLU 10 Cb 0.60 -0.12 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2air n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2air n ALA 11 N -2.15 4.85 -3.42 0.62 0.00 -1.26 -4.92 120.51 114.23 2air n ALA 11 Ca 0.00 -4.43 -0.10 0.00 0.00 0.00 0.00 53.44 48.91 2air n ALA 11 Cb 0.00 -2.82 -0.09 0.00 0.00 0.00 0.00 19.45 16.54 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 -0.13 -0.59 0.00 0.00 1.01 -1.26 -5.13 121.20 115.10 2air s ILE 12 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2air s ILE 12 Cb 0.04 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2air s ILE 12 CO 0.02 -0.09 0.00 1.17 0.00 0.00 0.00 174.94 176.04 2air n LYS 13 N 5.37 0.00 0.00 2.79 4.81 -1.26 -5.03 118.16 124.83 2air n LYS 13 Ca -0.05 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.47 2air n LYS 13 Cb 0.50 0.00 0.46 0.00 0.02 0.00 0.00 35.03 36.01 2air n LYS 13 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2air n ARG 14 N -0.41 0.71 -0.73 1.64 1.85 -1.22 -4.46 116.66 114.04 2air n ARG 14 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 2air n ARG 14 Cb 0.00 -1.34 0.19 0.00 -1.05 0.00 0.00 32.46 30.25 2air n ARG 14 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2air n GLY 15 N 0.36 -2.78 3.90 2.89 0.00 -1.14 -3.13 105.19 105.29 2air n GLY 15 Ca 0.12 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 2air n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2air s THR 16 N -2.42 4.99 -0.18 2.61 2.01 0.65 -0.67 115.64 122.63 2air s THR 16 Ca 0.52 0.18 -0.05 0.00 0.31 0.00 0.00 61.69 62.65 2air s THR 16 Cb -0.05 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.82 2air s THR 16 CO 0.40 -0.27 0.12 -0.69 -0.69 0.00 0.00 174.62 173.49 2air s VAL 17 N -2.03 -0.13 -0.23 3.82 1.01 -1.26 -1.90 120.40 119.67 2air s VAL 17 Ca 0.45 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2air s VAL 17 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2air s VAL 17 CO 0.28 -0.30 0.40 -0.63 0.00 0.00 0.00 175.10 174.86 2air s ILE 18 N 2.17 5.17 0.41 2.22 1.09 -0.37 -2.80 121.20 129.09 2air s ILE 18 Ca 0.03 0.68 0.04 0.00 -1.10 0.00 0.00 60.65 60.31 2air s ILE 18 Cb -0.16 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.49 2air s ILE 18 CO -0.12 0.20 0.14 1.51 -0.10 0.00 0.00 174.94 176.57 2air s ASP 19 N 1.31 2.79 -1.46 3.58 1.47 -0.71 -1.66 116.67 121.98 2air s ASP 19 Ca 0.18 -1.70 -0.09 0.00 1.18 0.00 0.00 52.55 52.12 2air s ASP 19 Cb -0.15 0.55 0.04 0.00 -0.34 0.00 0.00 42.92 43.02 2air s ASP 19 CO 0.09 -0.96 0.85 1.41 0.68 0.00 0.00 175.17 177.23 2air n HIS 20 N -0.92 -2.28 -2.88 2.11 8.25 -1.23 -3.03 115.22 115.24 2air n HIS 20 Ca -0.06 0.75 -0.41 0.00 -0.26 0.00 0.00 57.72 57.74 2air n HIS 20 Cb 0.65 -4.27 -0.04 0.00 1.12 0.00 0.00 29.99 27.45 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 -3.21 4.95 0.28 1.59 1.01 -0.83 -4.77 121.20 120.21 2air s ILE 21 Ca 0.49 1.73 -0.28 0.00 0.00 0.00 0.00 60.65 62.59 2air s ILE 21 Cb -0.23 -4.17 -0.14 0.00 0.01 0.00 0.00 42.46 37.92 2air s ILE 21 CO 0.61 0.18 0.98 -2.65 0.00 0.00 0.00 174.94 174.06 2air n PRO 22 N 4.06 1.26 -1.58 2.79 -0.02 -1.26 0.08 135.00 140.33 2air n PRO 22 Ca 0.03 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 2air n PRO 22 Cb 0.51 -1.79 0.04 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.26 -0.14 -2.15 3.55 0.00 -1.26 -2.46 120.51 118.31 2air n ALA 23 Ca 0.10 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 2air n ALA 23 Cb 0.31 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.44 -1.15 0.00 0.00 1.13 -1.26 -4.84 117.38 110.82 2air n GLN 24 Ca 0.12 0.76 0.00 0.00 -1.94 0.00 0.00 57.00 55.94 2air n GLN 24 Cb 0.45 -5.04 0.00 0.00 0.11 0.00 0.00 30.24 25.76 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 -3.80 0.00 0.02 5.09 5.41 -1.03 -4.68 119.36 120.38 2air n ILE 25 Ca -0.17 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.48 2air n ILE 25 Cb 0.61 -0.30 -0.03 0.00 -0.71 0.00 0.00 39.64 39.20 2air n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2air h GLY 26 N 0.00 -0.23 1.82 7.39 0.00 -1.89 0.18 103.07 110.34 2air h GLY 26 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2air h GLY 26 CO 0.00 -0.19 0.04 -2.75 0.00 0.00 0.00 176.54 173.64 2air h PHE 27 N -0.29 0.23 -0.33 5.60 3.57 -1.96 -1.79 116.94 121.97 2air h PHE 27 Ca 0.09 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2air h PHE 27 Cb 0.41 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2air h PHE 27 CO -0.30 0.21 0.11 -0.22 -2.23 0.00 0.00 178.31 175.89 2air h LYS 28 N 0.24 0.50 -0.50 1.11 1.63 -1.42 -1.73 116.57 116.39 2air h LYS 28 Ca 0.06 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.64 2air h LYS 28 Cb 0.10 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2air h LYS 28 CO -0.00 0.52 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.31 2air h LEU 29 N 0.37 1.00 0.02 5.20 3.38 -0.46 0.45 115.31 125.27 2air h LEU 29 Ca 0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2air h LEU 29 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2air h LEU 29 CO -0.01 1.14 -0.04 -0.07 0.09 0.00 0.00 178.44 179.55 2air h LEU 30 N 0.84 -0.10 0.38 1.67 3.38 -1.27 0.12 115.31 120.33 2air h LEU 30 Ca 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2air h LEU 30 Cb 0.71 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2air h LEU 30 CO 0.05 -0.06 -0.18 0.28 0.09 0.00 0.00 178.44 178.63 2air h SER 31 N -0.07 -0.43 -1.03 -0.43 0.02 -1.22 -0.64 113.55 109.76 2air h SER 31 Ca 0.01 0.01 0.28 0.00 -0.84 0.00 0.00 61.79 61.25 2air h SER 31 Cb 0.08 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.67 2air h SER 31 CO -0.03 -0.22 0.71 0.25 -1.14 0.00 0.00 176.83 176.39 2air h LEU 32 N -0.67 0.21 -3.00 5.07 5.85 -0.12 -1.36 115.31 121.29 2air h LEU 32 Ca -0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2air h LEU 32 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2air h LEU 32 CO 0.08 0.05 0.00 0.49 -0.34 0.00 0.00 178.44 178.73 2air n PHE 33 N -4.40 0.51 -3.87 1.25 3.01 0.42 -4.84 117.46 109.54 2air n PHE 33 Ca 0.23 -0.62 -0.33 0.00 1.01 0.00 0.00 57.45 57.74 2air n PHE 33 Cb 0.98 -0.11 0.01 0.00 -0.01 0.00 0.00 39.48 40.35 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 0.04 -0.78 0.03 -1.08 5.02 -0.29 -4.87 118.16 116.22 2air n LYS 34 Ca 0.13 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 2air n LYS 34 Cb 0.53 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 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 -3.60 0.47 -0.57 -0.35 4.77 -0.95 -4.13 117.00 112.65 2air n LEU 35 Ca -0.19 0.03 0.07 0.00 -0.03 0.00 0.00 56.01 55.89 2air n LEU 35 Cb 0.55 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.84 2air n LEU 35 CO 0.62 -0.01 0.69 0.35 -1.33 0.00 0.00 177.39 177.71 2air n THR 36 N -2.19 0.34 -0.27 -5.08 -2.24 -1.26 -3.97 114.28 99.60 2air n THR 36 Ca -0.01 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.47 2air n THR 36 Cb 0.50 0.26 0.31 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.37 3.30 -2.95 -0.78 1.02 -1.26 -4.92 120.64 115.43 2air n GLU 37 Ca 0.13 -2.44 -0.23 0.00 -0.02 0.00 0.00 57.16 54.60 2air n GLU 37 Cb 0.29 -1.79 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 2air n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2air s THR 38 N -1.77 3.88 -1.20 2.62 -1.32 -1.25 -5.01 115.64 111.58 2air s THR 38 Ca 0.44 -0.51 0.25 0.00 -1.21 0.00 0.00 61.69 60.66 2air s THR 38 Cb 0.28 -3.44 0.06 0.00 -1.51 0.00 0.00 72.50 67.89 2air s THR 38 CO 0.22 -0.31 1.42 0.47 -2.21 0.00 0.00 174.62 174.21 2air n ASP 39 N -2.11 0.67 -4.80 8.08 8.00 -1.26 -4.87 116.55 120.27 2air n ASP 39 Ca 0.02 -0.46 -0.37 0.00 0.71 0.00 0.00 54.79 54.68 2air n ASP 39 Cb 0.58 0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 41.88 2air n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2air s GLN 40 N -2.87 3.99 0.95 -1.24 -0.21 -1.26 -5.05 119.66 113.97 2air s GLN 40 Ca 0.14 0.28 -0.17 0.00 0.02 0.00 0.00 55.36 55.63 2air s GLN 40 Cb 0.18 -3.29 -0.14 0.00 1.00 0.00 0.00 33.01 30.76 2air s GLN 40 CO 0.66 0.53 -0.67 0.54 -2.12 0.00 0.00 175.29 174.23 2air n ARG 41 N 2.49 -0.01 -3.73 2.91 1.74 -1.26 -4.72 116.66 114.08 2air n ARG 41 Ca -0.13 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.83 2air n ARG 41 Cb 0.52 -1.06 -0.12 0.00 -1.02 0.00 0.00 32.46 30.78 2air n ARG 41 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2air s ILE 42 N -2.02 -0.03 -0.19 0.55 1.01 -1.26 -2.82 121.20 116.43 2air s ILE 42 Ca 0.43 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 61.14 2air s ILE 42 Cb -0.21 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.80 2air s ILE 42 CO 0.80 0.04 -0.03 -0.89 0.00 0.00 0.00 174.94 174.87 2air s THR 43 N 1.04 3.73 -0.08 2.92 2.01 0.38 -4.95 115.64 120.69 2air s THR 43 Ca -0.07 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2air s THR 43 Cb -0.08 -2.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 2air s THR 43 CO -0.08 0.44 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.45 2air s ILE 44 N 0.99 1.86 -0.19 1.82 1.01 -1.26 0.13 121.20 125.56 2air s ILE 44 Ca 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.74 2air s ILE 44 Cb -0.14 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.76 2air s ILE 44 CO 0.01 0.52 -0.09 -0.83 0.00 0.00 0.00 174.94 174.55 2air s GLY 45 N 0.20 1.18 -0.07 6.18 0.00 0.11 -5.00 107.32 109.93 2air s GLY 45 Ca -0.12 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.52 2air s GLY 45 CO 0.06 0.77 -0.15 1.08 0.00 0.00 0.00 173.10 174.86 2air s LEU 46 N 1.46 2.66 -0.93 0.66 1.43 -1.26 0.18 118.68 122.88 2air s LEU 46 Ca -0.01 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2air s LEU 46 Cb -0.16 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.52 2air s LEU 46 CO -0.08 0.29 0.30 0.59 0.23 0.00 0.00 176.35 177.68 2air n ASN 47 N 2.65 -4.17 -4.40 2.29 3.02 -0.23 -4.99 115.26 109.43 2air n ASN 47 Ca -0.17 -0.14 -0.44 0.00 -0.03 0.00 0.00 54.58 53.80 2air n ASN 47 Cb 0.52 -3.10 -0.09 0.00 -0.61 0.00 0.00 39.78 36.50 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 -4.01 5.40 0.99 3.41 0.05 -0.16 -4.88 118.68 119.48 2air s LEU 48 Ca 0.15 -1.18 -0.16 0.00 0.05 0.00 0.00 54.13 52.98 2air s LEU 48 Cb -0.07 -2.16 -0.06 0.00 -2.05 0.00 0.00 46.19 41.86 2air s LEU 48 CO 0.18 -0.57 -0.32 -2.65 -0.55 0.00 0.00 176.35 172.45 2air n PRO 49 N 5.17 -0.24 0.00 1.48 -0.02 -1.26 -4.49 135.00 135.64 2air n PRO 49 Ca -0.12 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2air n PRO 49 Cb 0.45 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 1.17 0.27 0.00 2.55 3.41 -1.26 -5.01 113.62 114.75 2air n SER 50 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2air n SER 50 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 1.72 0.16 3.01 5.00 0.00 -1.26 -5.16 105.19 108.66 2air n GLY 51 Ca 0.00 0.47 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 -2.24 -0.82 1.61 1.02 -1.26 -4.57 120.64 114.37 2air n GLU 52 Ca 0.00 -0.66 -0.33 0.00 -0.02 0.00 0.00 57.16 56.15 2air n GLU 52 Cb 0.00 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 2air n GLU 52 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2air n MET 53 N -1.71 1.31 -4.33 3.49 0.00 -1.26 -4.78 117.12 109.84 2air n MET 53 Ca 0.06 -1.48 -0.17 0.00 -0.00 0.00 0.00 57.70 56.11 2air n MET 53 Cb 0.35 -2.63 -0.10 0.00 0.00 0.00 0.00 33.22 30.83 2air n MET 53 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2air s GLY 54 N 4.81 1.60 0.76 -5.12 0.00 -1.26 -5.17 107.32 102.94 2air s GLY 54 Ca 0.48 -1.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 2air s GLY 54 CO 0.09 -1.65 1.03 -0.96 0.00 0.00 0.00 173.10 171.62 2air n ARG 55 N -0.43 -0.37 0.00 2.90 1.85 -1.26 -4.70 116.66 114.65 2air n ARG 55 Ca -0.04 -2.45 0.00 0.00 -1.00 0.00 0.00 57.85 54.36 2air n ARG 55 Cb 0.65 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 31.25 2air n ARG 55 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2air n LYS 56 N -3.00 0.00 -4.33 2.89 3.00 -1.26 -4.70 118.16 110.76 2air n LYS 56 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.18 2air n LYS 56 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.47 2air n LYS 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2air s ASP 57 N 0.00 3.71 0.00 3.14 1.01 0.11 -0.99 116.67 123.65 2air s ASP 57 Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 52.55 52.63 2air s ASP 57 Cb 0.00 -0.44 -0.00 0.00 1.01 0.00 0.00 42.92 43.49 2air s ASP 57 CO 0.00 0.18 -0.01 -0.22 0.21 0.00 0.00 175.17 175.33 2air s LEU 58 N -2.15 2.03 -0.05 1.23 2.96 0.48 -1.96 118.68 121.22 2air s LEU 58 Ca 0.17 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 2air s LEU 58 Cb -0.10 -0.01 0.02 0.00 0.50 0.00 0.00 46.19 46.60 2air s LEU 58 CO 0.09 -0.03 -0.03 -0.51 -1.32 0.00 0.00 176.35 174.55 2air s ILE 59 N -0.18 0.50 -0.20 6.68 1.10 -0.66 0.09 121.20 128.52 2air s ILE 59 Ca -0.02 -0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.07 2air s ILE 59 Cb -0.01 -0.56 0.04 0.00 0.15 0.00 0.00 42.46 42.08 2air s ILE 59 CO -0.00 0.23 -0.11 -0.54 -2.11 0.00 0.00 174.94 172.42 2air s LYS 60 N 1.19 2.06 0.05 3.50 1.02 0.35 -1.24 119.74 126.67 2air s LYS 60 Ca -0.07 -0.83 0.09 0.00 0.02 0.00 0.00 55.97 55.18 2air s LYS 60 Cb -0.14 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2air s LYS 60 CO -0.01 -0.41 -0.25 0.42 -0.92 0.00 0.00 175.35 174.18 2air s ILE 61 N 1.40 2.30 0.28 2.17 1.01 -0.80 0.15 121.20 127.70 2air s ILE 61 Ca -0.01 -1.36 0.10 0.00 0.00 0.00 0.00 60.65 59.37 2air s ILE 61 Cb -0.16 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 2air s ILE 61 CO -0.08 0.35 -0.01 -1.61 0.00 0.00 0.00 174.94 173.59 2air s GLU 62 N -1.33 2.24 -2.12 2.79 2.02 -1.13 -0.25 118.70 120.91 2air s GLU 62 Ca 0.13 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.63 2air s GLU 62 Cb -0.10 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.01 2air s GLU 62 CO 0.03 0.32 0.00 -1.71 0.02 0.00 0.00 175.26 173.92 2air n ASN 63 N -0.90 -5.57 -3.70 -0.19 4.05 -1.26 -4.81 115.26 102.88 2air n ASN 63 Ca -0.06 0.41 -0.11 0.00 0.45 0.00 0.00 54.58 55.27 2air n ASN 63 Cb 0.59 -4.86 -0.10 0.00 1.23 0.00 0.00 39.78 36.65 2air n ASN 63 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2air s THR 64 N -2.82 -0.01 0.02 -0.44 -4.23 -1.26 -4.98 115.64 101.92 2air s THR 64 Ca 0.00 0.04 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 2air s THR 64 Cb 0.00 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.16 2air s THR 64 CO 0.00 0.02 -0.26 -0.36 -0.54 0.00 0.00 174.62 173.48 2air s PHE 65 N 0.88 2.27 0.01 3.99 0.08 -1.26 -2.53 117.98 121.41 2air s PHE 65 Ca -0.05 -0.42 -0.23 0.00 0.12 0.00 0.00 56.93 56.35 2air s PHE 65 Cb -0.06 -1.39 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 2air s PHE 65 CO -0.07 0.06 0.68 -0.48 -0.10 0.00 0.00 175.22 175.32 2air s LEU 66 N -1.00 4.42 1.18 -0.37 0.05 -1.26 -5.06 118.68 116.64 2air s LEU 66 Ca 0.11 1.29 -0.16 0.00 0.05 0.00 0.00 54.13 55.42 2air s LEU 66 Cb -0.10 -3.08 0.22 0.00 -2.05 0.00 0.00 46.19 41.19 2air s LEU 66 CO 0.01 0.04 0.54 -0.24 -0.55 0.00 0.00 176.35 176.15 2air n SER 67 N 2.89 -2.22 -0.08 1.48 2.88 -1.26 -4.69 113.62 112.62 2air n SER 67 Ca -0.04 -0.21 -0.09 0.00 -1.33 0.00 0.00 58.87 57.19 2air n SER 67 Cb 0.51 -1.10 -0.02 0.00 -0.75 0.00 0.00 64.21 62.85 2air n SER 67 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2air h GLU 68 N -2.51 0.38 -0.08 -1.46 4.81 -2.01 -2.33 114.58 111.39 2air h GLU 68 Ca -0.58 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.49 2air h GLU 68 Cb 1.34 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 2air h GLU 68 CO 0.44 0.28 -0.52 -0.44 -0.73 0.00 0.00 179.01 178.04 2air h ASP 69 N 0.37 0.24 -0.67 1.04 3.32 -2.01 -3.07 116.42 115.65 2air h ASP 69 Ca 0.10 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 2air h ASP 69 Cb -0.01 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 2air h ASP 69 CO -0.02 0.72 0.23 1.56 -1.72 0.00 0.00 179.24 180.01 2air h GLN 70 N 0.18 1.04 -0.03 3.56 4.20 -1.83 -2.70 115.11 119.53 2air h GLN 70 Ca 0.00 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2air h GLN 70 Cb 0.97 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 2air h GLN 70 CO 0.08 0.88 0.02 0.28 -0.67 0.00 0.00 178.83 179.42 2air h VAL 71 N 1.01 1.05 -0.91 -0.54 2.07 -1.33 -2.61 116.25 115.00 2air h VAL 71 Ca 0.23 -0.16 0.22 0.00 0.82 0.00 0.00 66.70 67.82 2air h VAL 71 Cb 0.26 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2air h VAL 71 CO -0.01 0.04 0.61 0.44 0.02 0.00 0.00 177.57 178.68 2air h ASP 72 N -0.02 0.29 0.00 0.57 3.32 -1.44 -0.80 116.42 118.35 2air h ASP 72 Ca 0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2air h ASP 72 Cb 0.06 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2air h ASP 72 CO -0.00 0.11 0.03 0.00 -1.72 0.00 0.00 179.24 177.66 2air n GLN 73 N -4.45 0.00 0.03 3.56 1.13 -0.98 0.77 117.38 117.44 2air n GLN 73 Ca 0.20 0.16 0.09 0.00 -1.94 0.00 0.00 57.00 55.51 2air n GLN 73 Cb 0.79 -1.53 -0.09 0.00 0.11 0.00 0.00 30.24 29.51 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 -1.12 0.43 -0.31 1.08 4.77 -0.31 -4.42 117.00 117.13 2air n LEU 74 Ca 0.00 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.28 2air n LEU 74 Cb 0.03 0.02 0.28 0.00 -2.33 0.00 0.00 43.42 41.41 2air n LEU 74 CO 0.00 -0.03 0.86 0.00 -1.33 0.00 0.00 177.39 176.89 2air h ALA 75 N 1.87 1.16 0.00 -1.18 0.00 0.19 2.20 119.26 123.51 2air h ALA 75 Ca -0.05 0.29 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2air h ALA 75 Cb 1.15 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2air h ALA 75 CO 0.01 -0.53 -0.38 1.25 0.00 0.00 0.00 179.25 179.60 2air h LEU 76 N 0.08 0.00 0.00 0.00 5.85 -1.77 -3.25 115.31 116.22 2air h LEU 76 Ca 0.56 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 59.11 2air h LEU 76 Cb 1.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2air h LEU 76 CO -0.79 0.38 -1.66 -1.22 -0.34 0.00 0.00 178.44 174.81 2air n TYR 77 N -3.81 0.00 -3.41 1.25 4.02 0.33 -4.78 117.16 110.76 2air n TYR 77 Ca -0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.55 2air n TYR 77 Cb 0.45 -0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 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 -2.76 4.23 -1.81 -0.72 0.00 0.72 -4.78 120.51 115.39 2air n ALA 78 Ca -0.20 -4.73 -0.42 0.00 0.00 0.00 0.00 53.44 48.09 2air n ALA 78 Cb 0.73 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 2air n ALA 78 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2air s PRO 79 N -2.25 4.16 -1.63 0.00 0.02 -1.23 -1.55 135.00 132.52 2air s PRO 79 Ca 0.34 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2air s PRO 79 Cb 0.06 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.30 2air s PRO 79 CO -0.02 -0.73 0.00 1.04 -0.33 0.00 0.00 177.00 176.96 2air n GLN 80 N 4.59 -1.27 -2.06 5.54 1.13 -1.26 -4.96 117.38 119.09 2air n GLN 80 Ca 0.16 0.97 -0.36 0.00 -1.94 0.00 0.00 57.00 55.83 2air n GLN 80 Cb 0.37 -5.29 0.03 0.00 0.11 0.00 0.00 30.24 25.46 2air n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2air s ALA 81 N -2.74 2.57 -0.11 -1.58 0.00 -0.60 -4.92 121.76 114.39 2air s ALA 81 Ca 0.00 0.94 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 2air s ALA 81 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2air s ALA 81 CO 0.00 -1.07 -0.04 0.95 0.00 0.00 0.00 175.76 175.60 2air s THR 82 N -1.68 3.89 0.26 0.00 -4.23 -1.17 -3.63 115.64 109.08 2air s THR 82 Ca 0.76 -0.38 0.10 0.00 -1.18 0.00 0.00 61.69 60.98 2air s THR 82 Cb -0.28 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.85 2air s THR 82 CO 0.32 0.55 -0.15 -0.69 -0.54 0.00 0.00 174.62 174.10 2air s VAL 83 N -0.23 2.10 -0.45 2.29 1.01 -1.05 -1.74 120.40 122.34 2air s VAL 83 Ca 0.04 -2.29 0.06 0.00 0.00 0.00 0.00 61.98 59.79 2air s VAL 83 Cb -0.13 -2.26 0.20 0.00 0.00 0.00 0.00 36.38 34.20 2air s VAL 83 CO 0.02 -0.44 0.57 0.59 0.00 0.00 0.00 175.10 175.84 2air n ASN 84 N -0.55 -1.51 -3.16 3.32 3.02 -1.12 -4.68 115.26 110.58 2air n ASN 84 Ca -0.06 -2.73 -0.38 0.00 -0.03 0.00 0.00 54.58 51.37 2air n ASN 84 Cb 0.61 0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 40.10 2air n ASN 84 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2air n ARG 85 N 2.37 0.00 -3.40 3.52 1.74 -1.26 -4.06 116.66 115.56 2air n ARG 85 Ca 0.22 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.92 2air n ARG 85 Cb 0.54 -1.09 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 2air n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2air n ILE 86 N 5.00 3.71 0.10 0.55 5.41 0.15 0.25 119.36 134.53 2air n ILE 86 Ca 0.43 -5.38 -0.03 0.00 1.00 0.00 0.00 62.75 58.77 2air n ILE 86 Cb -0.01 -2.29 -0.02 0.00 -0.71 0.00 0.00 39.64 36.61 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 5.64 0.00 0.00 4.38 1.82 -1.73 -3.02 116.42 123.51 2air h ASP 87 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2air h ASP 87 Cb 0.74 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.75 2air h ASP 87 CO 1.00 0.79 0.00 0.59 -1.61 0.00 0.00 179.24 180.01 2air n ASN 88 N -3.38 0.00 -2.88 2.28 3.02 -1.26 -4.39 115.26 108.64 2air n ASN 88 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 2air n ASN 88 Cb 0.82 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 40.06 2air n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2air n TYR 89 N 0.00 -1.80 1.70 3.10 4.01 -1.25 -4.92 117.16 118.01 2air n TYR 89 Ca 0.00 0.71 0.03 0.00 -0.16 0.00 0.00 57.90 58.48 2air n TYR 89 Cb 0.00 -4.14 0.14 0.00 -0.31 0.00 0.00 39.34 35.03 2air n TYR 89 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2air n GLU 90 N -3.19 1.23 -1.57 -0.72 1.02 0.70 -4.90 120.64 113.20 2air n GLU 90 Ca -0.15 -0.35 -0.44 0.00 -0.02 0.00 0.00 57.16 56.20 2air n GLU 90 Cb 0.62 -1.13 -0.01 0.00 -0.02 0.00 0.00 31.44 30.90 2air n GLU 90 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2air n VAL 91 N -0.26 2.08 0.00 2.62 0.31 -1.01 -4.65 118.33 117.41 2air n VAL 91 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2air n VAL 91 Cb 0.10 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 2air n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2air n VAL 92 N -0.08 0.00 0.00 2.52 0.31 -1.26 -4.92 118.33 114.89 2air n VAL 92 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2air n VAL 92 Cb 0.34 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.55 2air n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2air n GLY 93 N 2.85 -2.99 2.57 2.92 0.00 -1.26 -4.58 105.19 104.71 2air n GLY 93 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 2air n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2air s LYS 94 N -2.19 0.52 -0.74 1.61 1.02 -1.26 -5.10 119.74 113.61 2air s LYS 94 Ca 0.00 -1.05 -0.15 0.00 0.02 0.00 0.00 55.97 54.79 2air s LYS 94 Cb 0.00 -1.50 0.18 0.00 -0.52 0.00 0.00 37.83 35.99 2air s LYS 94 CO 0.00 -1.09 0.72 0.45 -0.92 0.00 0.00 175.35 174.51 2air s SER 95 N 1.49 6.55 -0.09 2.83 0.15 -1.26 -5.01 113.70 118.36 2air s SER 95 Ca 0.13 -2.29 0.03 0.00 0.70 0.00 0.00 55.95 54.52 2air s SER 95 Cb -0.19 -2.23 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 2air s SER 95 CO -0.19 -0.74 -0.19 -0.13 1.20 0.00 0.00 173.24 173.20 2air s ARG 96 N 0.98 2.46 -0.05 5.44 0.52 -1.26 -2.52 118.95 124.52 2air s ARG 96 Ca 0.15 -0.67 -0.40 0.00 -0.52 0.00 0.00 55.73 54.29 2air s ARG 96 Cb -0.16 -1.94 -0.18 0.00 0.52 0.00 0.00 34.95 33.19 2air s ARG 96 CO -0.04 0.08 1.29 -2.30 0.02 0.00 0.00 175.30 174.35 2air n PRO 97 N 3.75 0.52 -4.09 3.54 -0.02 -1.24 -4.95 135.00 132.50 2air n PRO 97 Ca -0.20 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.24 2air n PRO 97 Cb 0.52 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.21 2air n PRO 97 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2air s SER 98 N 0.85 5.67 -0.15 2.55 0.15 -1.26 -4.49 113.70 117.02 2air s SER 98 Ca 0.91 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 57.08 2air s SER 98 Cb -1.16 -1.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2air s SER 98 CO 0.57 -0.04 1.44 -0.76 1.20 0.00 0.00 173.24 175.65 2air s LEU 99 N -3.83 4.16 0.64 3.45 1.43 -1.26 -4.43 118.68 118.83 2air s LEU 99 Ca 0.33 1.81 -0.15 0.00 -1.03 0.00 0.00 54.13 55.08 2air s LEU 99 Cb -0.08 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2air s LEU 99 CO 0.26 -0.91 1.09 -2.84 0.23 0.00 0.00 176.35 174.18 2air s PRO 100 N 3.89 2.98 0.00 1.29 0.02 -1.26 -4.91 135.00 137.01 2air s PRO 100 Ca 0.63 1.33 0.22 0.00 0.02 0.00 0.00 61.00 63.19 2air s PRO 100 Cb -0.25 -1.98 0.71 0.00 0.02 0.00 0.00 34.50 32.99 2air s PRO 100 CO 0.22 -1.09 1.53 -0.85 -0.33 0.00 0.00 177.00 176.48 2air n GLU 101 N -2.28 1.86 -3.66 5.54 0.28 -1.26 -4.61 120.64 116.51 2air n GLU 101 Ca 0.10 -1.29 -0.08 0.00 -0.16 0.00 0.00 57.16 55.73 2air n GLU 101 Cb 0.52 -1.42 -0.08 0.00 1.43 0.00 0.00 31.44 31.89 2air n GLU 101 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2air s ARG 102 N -1.77 0.57 -0.19 3.44 3.52 -1.26 -1.93 118.95 121.32 2air s ARG 102 Ca 0.33 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.04 2air s ARG 102 Cb 0.19 0.18 0.04 0.00 -1.56 0.00 0.00 34.95 33.80 2air s ARG 102 CO 0.28 -0.17 -0.08 0.42 -0.81 0.00 0.00 175.30 174.95 2air s ILE 103 N 1.76 1.42 0.36 4.11 1.01 -0.33 -4.97 121.20 124.56 2air s ILE 103 Ca -0.09 -0.88 0.08 0.00 0.00 0.00 0.00 60.65 59.76 2air s ILE 103 Cb -0.07 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2air s ILE 103 CO -0.17 0.12 0.05 -1.81 0.00 0.00 0.00 174.94 173.13 2air s ASP 104 N 1.49 4.24 0.00 3.58 1.01 -1.26 -1.64 116.67 124.09 2air s ASP 104 Ca -0.01 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.23 2air s ASP 104 Cb -0.16 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.24 2air s ASP 104 CO -0.08 -0.32 0.00 0.59 0.21 0.00 0.00 175.17 175.58 2air n ASN 105 N -1.02 0.00 -0.02 0.27 3.02 -0.05 -4.65 115.26 112.81 2air n ASN 105 Ca -0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.49 2air n ASN 105 Cb 0.63 -1.37 -0.02 0.00 -0.61 0.00 0.00 39.78 38.41 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 -2.00 0.20 -1.95 2.41 0.24 -1.26 -4.83 118.33 111.14 2air n VAL 106 Ca 0.00 -0.10 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 2air n VAL 106 Cb 0.00 -0.78 0.01 0.00 -1.47 0.00 0.00 33.84 31.60 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 -4.70 3.36 -0.15 1.34 1.43 -1.26 -5.07 118.68 113.63 2air s LEU 107 Ca -0.03 1.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 2air s LEU 107 Cb 0.01 -4.50 0.03 0.00 0.03 0.00 0.00 46.19 41.75 2air s LEU 107 CO 0.10 -1.06 -0.12 -0.69 0.23 0.00 0.00 176.35 174.81 2air s VAL 108 N -2.82 1.46 0.15 -1.59 1.01 -1.26 -4.75 120.40 112.60 2air s VAL 108 Ca 0.59 -0.64 -0.34 0.00 0.00 0.00 0.00 61.98 61.59 2air s VAL 108 Cb -0.13 -1.43 -0.14 0.00 0.00 0.00 0.00 36.38 34.68 2air s VAL 108 CO 0.45 0.37 1.59 0.00 0.00 0.00 0.00 175.10 177.51 2air h PRO 110 N 6.09 0.00 -6.33 0.00 0.11 -1.92 -3.43 132.00 126.52 2air h PRO 110 Ca -0.45 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 2air h PRO 110 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2air h PRO 110 CO 0.89 0.00 1.01 1.21 -0.21 0.00 0.00 178.00 180.90 2air s ASN 111 N -4.80 6.59 0.49 -2.05 2.47 -1.26 -4.90 114.94 111.49 2air s ASN 111 Ca 0.05 1.33 0.26 0.00 0.42 0.00 0.00 52.86 54.91 2air s ASN 111 Cb 0.09 -2.54 1.25 0.00 -1.45 0.00 0.00 41.25 38.60 2air s ASN 111 CO 0.48 -1.13 1.98 0.77 -3.72 0.00 0.00 177.10 175.48 2air h SER 112 N 9.67 0.00 -0.48 -4.21 4.64 -2.02 -2.86 113.55 118.29 2air h SER 112 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2air h SER 112 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2air h SER 112 CO 1.02 0.16 0.00 -3.20 -0.87 0.00 0.00 176.83 173.95 2air n ASN 113 N -3.53 2.77 -4.73 4.97 5.15 -1.26 -4.93 115.26 113.70 2air n ASN 113 Ca -0.01 -1.97 -0.41 0.00 -0.60 0.00 0.00 54.58 51.58 2air n ASN 113 Cb 0.31 -0.32 -0.03 0.00 -0.53 0.00 0.00 39.78 39.21 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 3.93 0.29 -0.17 0.00 6.09 -1.91 -2.99 117.51 122.74 2air h ILE 115 Ca -0.44 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.10 2air h ILE 115 Cb 1.21 0.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.43 2air h ILE 115 CO 0.77 0.00 0.17 -1.28 -3.07 0.00 0.00 178.15 174.74 2air h SER 116 N 0.00 0.00 -0.11 2.19 0.87 -1.93 -3.27 113.55 111.30 2air h SER 116 Ca 0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2air h SER 116 Cb 0.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2air h SER 116 CO -0.00 0.00 -0.10 0.45 -0.53 0.00 0.00 176.83 176.65 2air h HIS 117 N 0.00 0.30 -0.37 2.24 3.86 -1.90 -3.28 115.15 116.00 2air h HIS 117 Ca 0.08 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2air h HIS 117 Cb 0.42 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.82 2air h HIS 117 CO 0.00 0.66 0.00 0.00 0.86 0.00 0.00 177.93 179.45 2air n ALA 118 N -2.39 2.45 -2.72 2.45 0.00 -1.23 -4.96 120.51 114.10 2air n ALA 118 Ca -0.07 -0.81 -0.25 0.00 0.00 0.00 0.00 53.44 52.31 2air n ALA 118 Cb 0.32 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.52 2.58 -0.39 0.00 0.41 -1.24 -5.03 118.70 113.52 2air s GLU 119 Ca 0.35 -1.08 -0.07 0.00 -0.41 0.00 0.00 54.97 53.76 2air s GLU 119 Cb 0.19 -2.43 -0.22 0.00 -1.78 0.00 0.00 34.13 29.89 2air s GLU 119 CO 0.27 0.44 3.38 -2.30 -0.49 0.00 0.00 175.26 176.56 2air n PRO 120 N -0.43 2.36 -4.34 0.39 -0.02 -1.26 -4.85 135.00 126.84 2air n PRO 120 Ca -0.09 -1.26 -0.22 0.00 -2.02 0.00 0.00 63.50 59.91 2air n PRO 120 Cb 0.56 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.75 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 1.36 1.83 -0.01 -1.45 -7.23 -1.26 -5.13 120.40 108.51 2air s VAL 121 Ca 0.66 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.72 2air s VAL 121 Cb 0.28 -1.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.30 2air s VAL 121 CO -0.01 -0.32 0.49 -0.44 -0.31 0.00 0.00 175.10 174.50 2air s SER 122 N -2.70 6.86 0.71 4.85 0.01 -1.26 -5.04 113.70 117.13 2air s SER 122 Ca 0.16 1.02 -0.16 0.00 1.31 0.00 0.00 55.95 58.29 2air s SER 122 Cb -0.06 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.90 2air s SER 122 CO 0.07 0.20 1.21 -0.94 0.41 0.00 0.00 173.24 174.19 2air s SER 123 N -0.53 4.36 -0.22 2.44 1.04 -1.26 -4.76 113.70 114.76 2air s SER 123 Ca 0.26 2.38 -0.11 0.00 0.48 0.00 0.00 55.95 58.96 2air s SER 123 Cb -0.17 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.43 2air s SER 123 CO 0.14 -2.15 0.52 -0.55 0.98 0.00 0.00 173.24 172.18 2air s SER 124 N -1.93 -0.68 -0.01 7.02 0.15 -1.26 -0.87 113.70 116.12 2air s SER 124 Ca 0.75 1.17 0.03 0.00 0.70 0.00 0.00 55.95 58.60 2air s SER 124 Cb -0.30 1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 65.17 2air s SER 124 CO 0.43 -0.22 -0.09 -0.36 1.20 0.00 0.00 173.24 174.21 2air s PHE 125 N 1.73 0.80 0.17 3.44 0.40 -0.65 -0.98 117.98 122.90 2air s PHE 125 Ca -0.09 -0.16 -0.25 0.00 -0.60 0.00 0.00 56.93 55.84 2air s PHE 125 Cb -0.08 -0.52 -0.08 0.00 0.51 0.00 0.00 43.02 42.85 2air s PHE 125 CO -0.16 -0.02 0.78 0.00 0.70 0.00 0.00 175.22 176.52 2air s ALA 126 N -0.17 3.44 -0.06 5.36 0.00 0.07 -1.19 121.76 129.21 2air s ALA 126 Ca 0.03 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.36 2air s ALA 126 Cb -0.04 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 2air s ALA 126 CO -0.00 0.29 -0.09 0.08 0.00 0.00 0.00 175.76 176.04 2air s VAL 127 N -1.19 3.50 -0.06 0.00 1.01 -0.81 -1.08 120.40 121.76 2air s VAL 127 Ca 0.37 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 2air s VAL 127 Cb -0.23 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.78 2air s VAL 127 CO 0.26 0.59 0.44 0.00 0.00 0.00 0.00 175.10 176.39 2air s ARG 128 N -0.76 0.73 -0.02 2.72 1.70 -0.71 -4.74 118.95 117.87 2air s ARG 128 Ca 0.12 0.13 -0.02 0.00 -0.47 0.00 0.00 55.73 55.48 2air s ARG 128 Cb -0.11 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2air s ARG 128 CO 0.01 -0.19 0.15 0.21 -1.08 0.00 0.00 175.30 174.41 2air s LYS 129 N -0.90 3.34 0.00 3.89 2.36 -1.26 -0.41 119.74 126.76 2air s LYS 129 Ca -0.10 -0.35 0.00 0.00 -2.55 0.00 0.00 55.97 52.98 2air s LYS 129 Cb -0.03 -3.04 0.00 0.00 -1.05 0.00 0.00 37.83 33.70 2air s LYS 129 CO 0.05 0.68 0.00 0.54 1.55 0.00 0.00 175.35 178.16 2air n ARG 130 N 1.09 0.90 -3.81 4.03 3.00 -1.12 -4.91 116.66 115.84 2air n ARG 130 Ca -0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.37 2air n ARG 130 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.89 2air n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2air s ALA 131 N -2.00 3.52 -0.20 7.54 0.00 -1.26 -4.16 121.76 125.20 2air s ALA 131 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2air s ALA 131 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2air s ALA 131 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 175.76 175.86 2air n ASN 132 N 3.87 -4.47 -2.61 0.00 3.02 -1.26 -4.93 115.26 108.88 2air n ASN 132 Ca -0.16 0.05 -0.08 0.00 -0.03 0.00 0.00 54.58 54.36 2air n ASN 132 Cb 0.52 -2.14 0.03 0.00 -0.61 0.00 0.00 39.78 37.57 2air n ASN 132 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2air n ASP 133 N -0.36 -2.02 -3.68 6.41 8.00 -1.26 -5.07 116.55 118.56 2air n ASP 133 Ca -0.02 -2.38 -0.14 0.00 0.71 0.00 0.00 54.79 52.96 2air n ASP 133 Cb 0.27 3.35 -0.14 0.00 -0.02 0.00 0.00 41.12 44.59 2air n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2air s ILE 134 N -2.19 -0.27 -0.14 0.53 1.01 -1.26 -2.79 121.20 116.08 2air s ILE 134 Ca 0.14 0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.92 2air s ILE 134 Cb -0.04 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.00 2air s ILE 134 CO 0.10 0.11 0.32 0.00 0.00 0.00 0.00 174.94 175.47 2air s ALA 135 N 2.05 3.60 -0.18 9.38 0.00 0.45 -1.09 121.76 135.98 2air s ALA 135 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2air s ALA 135 Cb -0.12 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.61 2air s ALA 135 CO -0.08 0.14 -0.17 -0.51 0.00 0.00 0.00 175.76 175.14 2air s LEU 136 N 0.28 2.29 -0.27 0.00 1.43 0.23 -1.74 118.68 120.91 2air s LEU 136 Ca 0.18 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 2air s LEU 136 Cb -0.14 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 2air s LEU 136 CO 0.06 0.02 0.05 -0.75 0.23 0.00 0.00 176.35 175.96 2air s LYS 137 N 1.16 3.33 0.28 1.70 2.20 -0.24 -1.02 119.74 127.16 2air s LYS 137 Ca 0.01 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 2air s LYS 137 Cb -0.14 -3.29 -0.11 0.00 -1.51 0.00 0.00 37.83 32.78 2air s LYS 137 CO -0.08 -0.31 1.60 0.00 -0.36 0.00 0.00 175.35 176.20 2air h LYS 139 N 5.01 0.08 0.00 0.00 3.64 -1.41 -2.04 116.57 121.85 2air h LYS 139 Ca -0.47 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2air h LYS 139 Cb 1.22 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2air h LYS 139 CO 0.81 0.41 -0.17 1.88 -2.27 0.00 0.00 179.45 180.10 2air h TYR 140 N 0.07 0.00 0.00 1.91 0.05 -1.90 -3.40 116.97 113.70 2air h TYR 140 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2air h TYR 140 Cb 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 2air h TYR 140 CO 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 178.16 177.09 2air n GLU 142 N -1.80 -1.29 -3.20 0.00 1.02 -0.77 -4.99 120.64 109.62 2air n GLU 142 Ca 0.06 1.14 -0.32 0.00 -0.02 0.00 0.00 57.16 58.02 2air n GLU 142 Cb 0.38 -5.43 -0.05 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.62 3.89 -0.07 3.49 -0.14 -1.26 -4.73 119.74 117.29 2air s LYS 143 Ca 0.00 0.48 0.04 0.00 -1.36 0.00 0.00 55.97 55.13 2air s LYS 143 Cb 0.00 -2.50 -0.02 0.00 -1.68 0.00 0.00 37.83 33.63 2air s LYS 143 CO 0.00 0.18 -0.18 -2.00 -0.76 0.00 0.00 175.35 172.59 2air s GLU 144 N -3.09 2.70 0.19 1.68 2.12 -1.26 -0.98 118.70 120.06 2air s GLU 144 Ca 0.51 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 55.09 2air s GLU 144 Cb -0.11 -2.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.89 2air s GLU 144 CO 0.21 0.44 -0.00 -0.06 -0.54 0.00 0.00 175.26 175.31 2air s PHE 145 N -0.28 1.35 0.20 5.30 0.08 -0.19 -4.94 117.98 119.50 2air s PHE 145 Ca 0.01 -0.97 -0.14 0.00 0.12 0.00 0.00 56.93 55.95 2air s PHE 145 Cb -0.13 -0.77 -0.07 0.00 -0.57 0.00 0.00 43.02 41.48 2air s PHE 145 CO 0.03 -0.14 0.60 -1.54 -0.10 0.00 0.00 175.22 174.07 2air s SER 146 N -3.22 6.80 0.64 1.36 1.04 -1.26 -0.60 113.70 118.46 2air s SER 146 Ca 0.26 1.12 0.33 0.00 0.48 0.00 0.00 55.95 58.13 2air s SER 146 Cb 0.06 -2.30 1.82 0.00 0.10 0.00 0.00 66.02 65.70 2air s SER 146 CO 0.06 0.01 2.09 1.12 0.98 0.00 0.00 173.24 177.49 2air h HIS 147 N 3.12 0.00 -0.04 5.02 2.07 -1.49 0.26 115.15 124.09 2air h HIS 147 Ca -0.48 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 56.97 2air h HIS 147 Cb 1.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.15 2air h HIS 147 CO 0.64 0.00 -0.30 -0.91 -3.07 0.00 0.00 177.93 174.29 2air h ASN 148 N 0.00 0.07 0.00 3.10 2.35 -1.92 -0.71 115.58 118.46 2air h ASN 148 Ca 0.04 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2air h ASN 148 Cb 0.49 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2air h ASN 148 CO -0.00 0.37 -0.03 0.58 -1.65 0.00 0.00 177.43 176.70 2air h VAL 149 N 0.06 1.21 -0.33 2.81 2.07 -0.88 -3.10 116.25 118.08 2air h VAL 149 Ca 0.01 -1.91 0.07 0.00 0.82 0.00 0.00 66.70 65.68 2air h VAL 149 Cb 0.57 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2air h VAL 149 CO 0.04 0.41 0.23 0.58 0.02 0.00 0.00 177.57 178.85 2air h VAL 150 N -1.00 0.91 0.00 2.57 2.07 -1.41 -2.52 116.25 116.86 2air h VAL 150 Ca -0.01 -0.05 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 2air h VAL 150 Cb 0.69 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2air h VAL 150 CO -0.00 0.03 -1.07 -0.07 0.02 0.00 0.00 177.57 176.47 2air h LEU 151 N 0.14 0.00 -3.25 2.57 3.38 -1.25 -3.19 115.31 113.72 2air h LEU 151 Ca 0.15 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.80 2air h LEU 151 Cb 0.42 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.98 2air h LEU 151 CO -0.02 0.81 0.41 0.00 0.09 0.00 0.00 178.44 179.73 2air n ALA 152 N -2.36 4.49 0.00 1.53 0.00 -0.96 -5.10 120.51 118.11 2air n ALA 152 Ca -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.62 2air n ALA 152 Cb 0.89 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2air n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79