#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2p n ILE 5 N 0.00 0.00 -3.66 -1.44 -5.35 -1.26 -4.74 119.36 102.91 2g2p n ILE 5 Ca 0.00 -0.10 -0.22 0.00 -0.27 0.00 0.00 62.75 62.16 2g2p n ILE 5 Cb 0.00 0.11 -0.18 0.00 -1.74 0.00 0.00 39.64 37.84 2g2p n ILE 5 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2g2p s LEU 6 N -2.39 0.20 0.05 7.28 2.96 -1.25 -0.12 118.68 125.40 2g2p s LEU 6 Ca 0.30 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 2g2p s LEU 6 Cb 0.20 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 2g2p s LEU 6 CO 0.46 -0.28 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.57 2g2p s SER 7 N 2.16 3.63 0.07 3.68 0.01 -0.24 -1.01 113.70 121.99 2g2p s SER 7 Ca 0.04 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.84 2g2p s SER 7 Cb -0.13 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 2g2p s SER 7 CO -0.05 0.25 -0.08 0.68 0.41 0.00 0.00 173.24 174.46 2g2p s VAL 8 N -0.90 0.65 0.10 3.43 -7.23 -0.68 -0.86 120.40 114.91 2g2p s VAL 8 Ca 0.14 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 2g2p s VAL 8 Cb -0.10 -1.04 0.02 0.00 0.56 0.00 0.00 36.38 35.82 2g2p s VAL 8 CO 0.05 -0.55 0.34 -1.38 -0.31 0.00 0.00 175.10 173.24 2g2p s HIS 9 N -2.19 -0.10 -0.08 2.82 -3.43 -1.22 -0.95 115.29 110.15 2g2p s HIS 9 Ca -0.01 -0.21 0.01 0.00 -0.80 0.00 0.00 55.06 54.05 2g2p s HIS 9 Cb -0.04 0.16 0.02 0.00 -1.43 0.00 0.00 32.58 31.28 2g2p s HIS 9 CO -0.01 -0.63 -0.10 0.42 -2.00 0.00 0.00 174.74 172.41 2g2p s ILE 10 N -3.63 1.04 -0.19 -5.38 1.01 -0.55 -0.36 121.20 113.13 2g2p s ILE 10 Ca 0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.29 2g2p s ILE 10 Cb 0.02 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.52 2g2p s ILE 10 CO -0.10 0.34 -0.17 -0.22 0.00 0.00 0.00 174.94 174.79 2g2p s LEU 11 N 0.99 2.30 -0.56 2.97 2.96 -0.04 -1.91 118.68 125.40 2g2p s LEU 11 Ca -0.09 -0.59 -0.28 0.00 -0.22 0.00 0.00 54.13 52.95 2g2p s LEU 11 Cb -0.15 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.02 2g2p s LEU 11 CO -0.00 -0.00 1.35 0.21 -1.32 0.00 0.00 176.35 176.59 2g2p s ASN 12 N 1.32 6.23 0.00 3.68 3.84 -0.50 -0.93 114.94 128.58 2g2p s ASN 12 Ca 0.05 0.27 0.13 0.00 0.21 0.00 0.00 52.86 53.52 2g2p s ASN 12 Cb -0.13 -2.55 0.56 0.00 -0.55 0.00 0.00 41.25 38.58 2g2p s ASN 12 CO -0.11 -1.63 1.39 0.00 -2.79 0.00 0.00 177.10 173.97 2g2p n GLN 13 N 8.56 0.03 0.04 0.43 6.02 -0.23 -0.58 117.38 131.66 2g2p n GLN 13 Ca 0.12 0.26 -0.08 0.00 -0.01 0.00 0.00 57.00 57.29 2g2p n GLN 13 Cb 0.49 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.12 2g2p n GLN 13 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2g2p h GLN 14 N 0.00 0.01 0.00 -1.09 4.20 -1.91 -3.36 115.11 112.96 2g2p h GLN 14 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2g2p h GLN 14 Cb 0.20 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2g2p h GLN 14 CO 0.00 0.88 -1.09 0.25 -0.67 0.00 0.00 178.83 178.20 2g2p n THR 15 N -3.28 0.00 -2.30 -0.54 -2.24 -1.09 -4.99 114.28 99.83 2g2p n THR 15 Ca -0.05 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 2g2p n THR 15 Cb 0.97 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.80 2g2p n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g2p n GLY 16 N 1.52 -0.24 3.21 3.38 0.00 0.26 -5.00 105.19 108.31 2g2p n GLY 16 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 2g2p n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g2p s LYS 17 N -4.87 0.94 0.60 1.61 1.02 -1.17 -4.97 119.74 112.90 2g2p s LYS 17 Ca 0.00 -1.39 -0.19 0.00 0.02 0.00 0.00 55.97 54.42 2g2p s LYS 17 Cb 0.00 -0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 36.89 2g2p s LYS 17 CO 0.00 0.02 1.22 -2.14 -0.92 0.00 0.00 175.35 173.53 2g2p s PRO 18 N -3.79 2.89 -0.49 -1.68 0.02 -1.26 -1.41 135.00 129.28 2g2p s PRO 18 Ca 0.14 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.82 2g2p s PRO 18 Cb 0.04 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.69 2g2p s PRO 18 CO -0.02 -1.28 0.67 0.00 -0.33 0.00 0.00 177.00 176.04 2g2p s ALA 19 N -1.57 3.34 0.14 -1.55 0.00 -0.80 -4.71 121.76 116.61 2g2p s ALA 19 Ca 0.78 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 51.08 2g2p s ALA 19 Cb -0.31 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.35 2g2p s ALA 19 CO 0.34 -1.99 0.53 0.00 0.00 0.00 0.00 175.76 174.64 2g2p s ALA 20 N 2.86 3.60 -1.11 0.00 0.00 -1.26 -4.27 121.76 121.57 2g2p s ALA 20 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.91 2g2p s ALA 20 Cb -0.17 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.47 2g2p s ALA 20 CO 0.15 0.47 0.97 -3.47 0.00 0.00 0.00 175.76 173.88 2g2p n ASP 21 N 0.78 -5.55 -4.71 0.00 2.03 0.10 -4.94 116.55 104.26 2g2p n ASP 21 Ca -0.05 -0.44 -0.36 0.00 0.52 0.00 0.00 54.79 54.45 2g2p n ASP 21 Cb 0.52 -4.23 -0.08 0.00 -0.72 0.00 0.00 41.12 36.61 2g2p n ASP 21 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2g2p s VAL 22 N -3.26 5.34 0.17 5.18 1.01 -1.26 -4.78 120.40 122.81 2g2p s VAL 22 Ca 0.48 0.35 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 2g2p s VAL 22 Cb -0.21 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2g2p s VAL 22 CO 0.60 0.38 1.28 -0.89 0.00 0.00 0.00 175.10 176.47 2g2p s THR 23 N 0.65 3.40 -0.06 3.92 2.01 -1.26 -1.07 115.64 123.23 2g2p s THR 23 Ca 0.12 1.12 0.01 0.00 0.31 0.00 0.00 61.69 63.25 2g2p s THR 23 Cb -0.13 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2g2p s THR 23 CO 0.02 0.15 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.34 2g2p s VAL 24 N 0.29 0.77 0.21 3.82 1.01 0.98 -0.79 120.40 126.70 2g2p s VAL 24 Ca 0.57 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.37 2g2p s VAL 24 Cb -0.35 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2g2p s VAL 24 CO 0.36 0.29 0.23 0.42 0.00 0.00 0.00 175.10 176.39 2g2p s THR 25 N 1.03 4.77 -0.04 3.92 -4.23 -0.69 -1.09 115.64 119.31 2g2p s THR 25 Ca -0.09 -1.10 0.03 0.00 -1.18 0.00 0.00 61.69 59.35 2g2p s THR 25 Cb -0.14 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2g2p s THR 25 CO -0.00 -0.23 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.50 2g2p s LEU 26 N -3.54 1.81 0.05 4.79 2.96 0.27 -1.57 118.68 123.45 2g2p s LEU 26 Ca 0.33 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 2g2p s LEU 26 Cb -0.09 -0.78 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2g2p s LEU 26 CO 0.26 0.10 -0.10 -1.61 -1.32 0.00 0.00 176.35 173.68 2g2p s GLU 27 N 0.22 0.61 -0.13 1.98 2.02 0.18 -0.70 118.70 122.88 2g2p s GLU 27 Ca -0.06 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.06 2g2p s GLU 27 Cb -0.11 -0.44 -0.04 0.00 0.10 0.00 0.00 34.13 33.64 2g2p s GLU 27 CO 0.02 0.09 0.08 0.21 0.02 0.00 0.00 175.26 175.67 2g2p s LYS 28 N -1.63 3.52 -0.03 1.61 2.20 0.17 -1.15 119.74 124.44 2g2p s LYS 28 Ca -0.08 -0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 2g2p s LYS 28 Cb -0.10 -3.10 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2g2p s LYS 28 CO 0.01 0.57 1.24 0.21 -0.36 0.00 0.00 175.35 177.02 2g2p s LYS 29 N -0.47 4.35 0.50 4.03 2.47 -0.57 -0.84 119.74 129.21 2g2p s LYS 29 Ca 0.10 1.74 0.08 0.00 -1.56 0.00 0.00 55.97 56.33 2g2p s LYS 29 Cb -0.12 -3.54 0.03 0.00 -1.46 0.00 0.00 37.83 32.75 2g2p s LYS 29 CO 0.02 -0.45 0.52 0.00 0.16 0.00 0.00 175.35 175.60 2g2p s ALA 30 N 2.11 4.40 0.23 3.13 0.00 -0.59 -4.81 121.76 126.24 2g2p s ALA 30 Ca 0.58 -1.76 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 2g2p s ALA 30 Cb -0.26 -1.13 0.37 0.00 0.00 0.00 0.00 23.12 22.10 2g2p s ALA 30 CO 0.24 -0.47 1.71 -0.44 0.00 0.00 0.00 175.76 176.80 2g2p h ASP 31 N 0.67 0.12 -3.26 0.00 3.32 -2.00 -3.37 116.42 111.90 2g2p h ASP 31 Ca -0.37 0.11 -0.62 0.00 0.02 0.00 0.00 57.03 56.18 2g2p h ASP 31 Cb 1.28 0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.62 2g2p h ASP 31 CO 0.51 0.05 -0.85 0.20 -1.72 0.00 0.00 179.24 177.43 2g2p s ASN 32 N -5.31 2.67 0.78 6.45 -0.87 -1.26 -5.07 114.94 112.32 2g2p s ASN 32 Ca -0.13 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 50.68 2g2p s ASN 32 Cb 0.19 -1.21 0.00 0.00 -0.02 0.00 0.00 41.25 40.21 2g2p s ASN 32 CO 0.75 0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.94 2g2p n GLY 33 N 4.07 0.70 3.30 0.66 0.00 -1.26 -4.88 105.19 107.78 2g2p n GLY 33 Ca -0.20 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 2g2p n GLY 33 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2g2p s TRP 34 N 0.00 1.52 -0.07 1.61 0.52 -1.26 -1.54 118.94 119.72 2g2p s TRP 34 Ca 0.00 -0.63 0.04 0.00 0.02 0.00 0.00 56.10 55.53 2g2p s TRP 34 Cb 0.00 -0.74 -0.00 0.00 -1.15 0.00 0.00 33.47 31.58 2g2p s TRP 34 CO 0.00 0.24 -0.22 -1.17 0.02 0.00 0.00 176.95 175.82 2g2p s LEU 35 N -3.16 2.00 -0.03 2.99 2.96 -0.02 -4.87 118.68 118.55 2g2p s LEU 35 Ca 0.19 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 2g2p s LEU 35 Cb -0.00 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.41 2g2p s LEU 35 CO 0.04 0.17 0.96 -1.58 -1.32 0.00 0.00 176.35 174.62 2g2p s GLN 36 N 0.18 4.51 -0.18 1.98 0.74 -1.26 -0.66 119.66 124.98 2g2p s GLN 36 Ca -0.11 1.36 0.06 0.00 0.05 0.00 0.00 55.36 56.72 2g2p s GLN 36 Cb -0.15 -3.48 -0.22 0.00 1.10 0.00 0.00 33.01 30.26 2g2p s GLN 36 CO 0.06 -0.11 0.12 1.28 -0.55 0.00 0.00 175.29 176.09 2g2p n LEU 37 N 4.16 1.79 -3.48 3.68 4.77 0.13 -4.92 117.00 123.12 2g2p n LEU 37 Ca 0.06 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 2g2p n LEU 37 Cb 0.50 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2g2p n LEU 37 CO 0.52 0.72 0.60 0.21 -1.33 0.00 0.00 177.39 178.10 2g2p s ASN 38 N -6.29 -0.44 0.00 -1.43 2.47 -1.03 -4.67 114.94 103.56 2g2p s ASN 38 Ca -0.21 0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.13 2g2p s ASN 38 Cb 0.08 0.45 -0.01 0.00 -1.45 0.00 0.00 41.25 40.32 2g2p s ASN 38 CO 0.73 -0.71 -0.03 0.28 -3.72 0.00 0.00 177.10 173.65 2g2p s THR 39 N -3.14 0.26 0.37 -5.21 -1.32 -1.26 -0.56 115.64 104.78 2g2p s THR 39 Ca 0.03 -0.28 -0.07 0.00 -1.21 0.00 0.00 61.69 60.15 2g2p s THR 39 Cb -0.01 -0.25 0.03 0.00 -1.51 0.00 0.00 72.50 70.76 2g2p s THR 39 CO -0.09 -0.02 0.62 0.00 -2.21 0.00 0.00 174.62 172.91 2g2p s ALA 40 N -0.31 0.21 -0.01 11.08 0.00 -0.25 -5.00 121.76 127.48 2g2p s ALA 40 Ca -0.01 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.77 2g2p s ALA 40 Cb -0.03 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2g2p s ALA 40 CO -0.00 -0.87 -0.22 0.15 0.00 0.00 0.00 175.76 174.82 2g2p s LYS 41 N -2.61 1.74 0.34 0.00 1.02 -1.26 -0.01 119.74 118.96 2g2p s LYS 41 Ca 0.25 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.13 2g2p s LYS 41 Cb -0.02 -1.72 -0.11 0.00 -0.52 0.00 0.00 37.83 35.46 2g2p s LYS 41 CO 0.18 0.47 1.51 0.95 -0.92 0.00 0.00 175.35 177.53 2g2p s THR 42 N -0.56 2.12 0.00 2.17 -4.23 -0.23 -4.77 115.64 110.14 2g2p s THR 42 Ca 0.09 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2g2p s THR 42 Cb -0.09 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.68 2g2p s THR 42 CO -0.00 0.02 0.00 -0.90 -0.54 0.00 0.00 174.62 173.20 2g2p n ASP 43 N 1.09 -0.27 0.18 3.99 5.68 -0.18 0.03 116.55 127.06 2g2p n ASP 43 Ca 0.03 -0.65 0.14 0.00 -0.50 0.00 0.00 54.79 53.82 2g2p n ASP 43 Cb 0.39 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.94 2g2p n ASP 43 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2g2p h LYS 44 N 0.00 0.00 -0.65 0.11 2.10 -1.95 -1.34 116.57 114.85 2g2p h LYS 44 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2g2p h LYS 44 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2g2p h LYS 44 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 2g2p n ASP 45 N -2.53 4.77 -1.32 7.07 8.00 -1.26 -4.79 116.55 126.49 2g2p n ASP 45 Ca 0.01 -2.51 -0.15 0.00 0.71 0.00 0.00 54.79 52.85 2g2p n ASP 45 Cb 0.25 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.70 2g2p n ASP 45 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g2p n GLY 46 N 1.02 1.10 3.56 0.44 0.00 -0.50 -4.78 105.19 106.03 2g2p n GLY 46 Ca 0.25 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 2g2p n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2g2p s ARG 47 N -3.67 2.31 -0.30 1.61 0.52 -1.26 -1.48 118.95 116.67 2g2p s ARG 47 Ca 0.00 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 2g2p s ARG 47 Cb 0.00 -2.37 0.09 0.00 0.52 0.00 0.00 34.95 33.19 2g2p s ARG 47 CO 0.00 0.56 0.02 0.42 0.02 0.00 0.00 175.30 176.31 2g2p s ILE 48 N -1.06 1.84 0.26 1.52 1.01 -0.12 -1.02 121.20 123.63 2g2p s ILE 48 Ca 0.18 -1.84 0.13 0.00 0.00 0.00 0.00 60.65 59.12 2g2p s ILE 48 Cb -0.11 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2g2p s ILE 48 CO 0.09 -0.44 1.67 0.11 0.00 0.00 0.00 174.94 176.38 2g2p h LYS 49 N 7.79 0.00 -2.50 2.79 1.57 -1.86 -1.80 116.57 122.57 2g2p h LYS 49 Ca -0.11 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.08 2g2p h LYS 49 Cb 1.03 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.96 2g2p h LYS 49 CO 0.48 0.52 -0.91 0.00 -0.57 0.00 0.00 179.45 178.98 2g2p s ALA 50 N -3.68 1.58 -0.15 3.86 0.00 -1.25 -4.02 121.76 118.10 2g2p s ALA 50 Ca -0.01 -2.49 0.19 0.00 0.00 0.00 0.00 51.96 49.65 2g2p s ALA 50 Cb 0.12 -1.66 -0.13 0.00 0.00 0.00 0.00 23.12 21.45 2g2p s ALA 50 CO 0.74 -2.01 0.79 -0.11 0.00 0.00 0.00 175.76 175.17 2g2p n LEU 51 N 3.00 0.71 -4.76 0.00 7.94 -0.18 -4.88 117.00 118.83 2g2p n LEU 51 Ca 0.25 0.30 -0.41 0.00 -1.11 0.00 0.00 56.01 55.04 2g2p n LEU 51 Cb 0.44 0.06 -0.02 0.00 0.53 0.00 0.00 43.42 44.43 2g2p n LEU 51 CO 0.12 0.07 0.97 0.86 -1.11 0.00 0.00 177.39 178.29 2g2p s TRP 52 N -3.07 3.13 0.53 1.96 -0.11 -1.26 -4.79 118.94 115.33 2g2p s TRP 52 Ca -0.03 1.40 -0.09 0.00 1.22 0.00 0.00 56.10 58.60 2g2p s TRP 52 Cb 0.09 -3.64 0.13 0.00 -1.50 0.00 0.00 33.47 28.55 2g2p s TRP 52 CO 0.82 -1.77 0.49 -0.35 -4.62 0.00 0.00 176.95 171.52 2g2p n PRO 53 N 1.13 -1.80 -2.05 5.86 -0.04 -1.26 -4.90 135.00 131.94 2g2p n PRO 53 Ca 0.01 -0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 62.27 2g2p n PRO 53 Cb 0.42 -0.71 -0.00 0.00 -0.04 0.00 0.00 33.50 33.17 2g2p n PRO 53 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2g2p n GLU 54 N -2.89 3.68 -3.75 0.54 -0.58 -1.26 -4.87 120.64 111.51 2g2p n GLU 54 Ca 0.07 -3.21 -0.13 0.00 -0.42 0.00 0.00 57.16 53.47 2g2p n GLU 54 Cb 0.26 -2.92 -0.10 0.00 -0.57 0.00 0.00 31.44 28.10 2g2p n GLU 54 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2g2p s GLN 55 N 0.78 0.45 0.45 3.49 -0.21 -1.26 -5.15 119.66 118.22 2g2p s GLN 55 Ca 0.47 0.47 -0.25 0.00 0.02 0.00 0.00 55.36 56.07 2g2p s GLN 55 Cb 0.13 0.22 -0.08 0.00 1.00 0.00 0.00 33.01 34.28 2g2p s GLN 55 CO -0.04 -0.06 1.43 0.99 -2.12 0.00 0.00 175.29 175.49 2g2p s THR 56 N 0.10 2.03 0.34 -0.19 2.01 -1.26 -4.99 115.64 113.68 2g2p s THR 56 Ca -0.01 0.03 -0.13 0.00 0.31 0.00 0.00 61.69 61.89 2g2p s THR 56 Cb -0.03 -3.02 -0.08 0.00 0.01 0.00 0.00 72.50 69.39 2g2p s THR 56 CO 0.01 0.00 0.72 0.00 -0.69 0.00 0.00 174.62 174.66 2g2p s ALA 57 N -1.20 3.36 0.23 7.40 0.00 -1.26 -5.10 121.76 125.19 2g2p s ALA 57 Ca 0.61 -0.08 0.12 0.00 0.00 0.00 0.00 51.96 52.61 2g2p s ALA 57 Cb -0.44 -2.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 2g2p s ALA 57 CO 0.57 0.25 -0.22 0.95 0.00 0.00 0.00 175.76 177.30 2g2p s THR 58 N -2.08 2.39 0.50 0.00 -4.23 -1.26 -4.88 115.64 106.08 2g2p s THR 58 Ca 0.52 -2.19 -0.23 0.00 -1.18 0.00 0.00 61.69 58.61 2g2p s THR 58 Cb -0.10 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.48 2g2p s THR 58 CO 0.22 -0.24 1.38 0.35 -0.54 0.00 0.00 174.62 175.79 2g2p n THR 59 N -0.11 3.31 -1.05 3.99 -2.24 -1.26 -4.87 114.28 112.06 2g2p n THR 59 Ca -0.09 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2g2p n THR 59 Cb 0.58 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.07 2g2p n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2g2p n GLY 60 N 0.69 0.33 3.84 3.38 0.00 -0.14 -4.98 105.19 108.31 2g2p n GLY 60 Ca 0.08 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 2g2p n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g2p s ASP 61 N -3.83 6.82 0.26 1.61 1.01 -1.26 -0.77 116.67 120.52 2g2p s ASP 61 Ca 0.00 1.00 0.01 0.00 0.71 0.00 0.00 52.55 54.27 2g2p s ASP 61 Cb 0.00 -2.26 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 2g2p s ASP 61 CO 0.00 0.26 0.11 -0.31 0.21 0.00 0.00 175.17 175.44 2g2p s TYR 62 N -1.20 1.53 -0.09 4.23 2.02 0.56 -1.51 117.35 122.89 2g2p s TYR 62 Ca 0.28 -1.22 -0.04 0.00 -0.37 0.00 0.00 57.07 55.72 2g2p s TYR 62 Cb -0.16 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.57 2g2p s TYR 62 CO 0.16 -0.38 0.18 0.50 -1.57 0.00 0.00 175.55 174.44 2g2p s ARG 63 N -4.00 0.09 -0.03 -0.62 3.52 -0.30 -1.05 118.95 116.55 2g2p s ARG 63 Ca 0.37 0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 56.49 2g2p s ARG 63 Cb 0.07 -0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 2g2p s ARG 63 CO 0.14 -0.26 0.16 0.14 -0.81 0.00 0.00 175.30 174.68 2g2p s VAL 64 N 1.96 5.36 -0.17 7.11 -7.23 -0.45 -0.64 120.40 126.33 2g2p s VAL 64 Ca -0.01 -0.11 -0.00 0.00 -1.81 0.00 0.00 61.98 60.04 2g2p s VAL 64 Cb -0.12 -3.47 0.04 0.00 0.56 0.00 0.00 36.38 33.40 2g2p s VAL 64 CO -0.07 0.39 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.36 2g2p s VAL 65 N -1.25 1.20 -0.25 1.32 1.01 -0.61 -0.30 120.40 121.53 2g2p s VAL 65 Ca 0.24 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 2g2p s VAL 65 Cb -0.12 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 2g2p s VAL 65 CO 0.15 0.12 0.56 -0.36 0.00 0.00 0.00 175.10 175.57 2g2p s PHE 66 N 1.59 3.29 -1.37 5.22 0.08 -0.28 -1.71 117.98 124.79 2g2p s PHE 66 Ca 0.00 0.72 -0.12 0.00 0.12 0.00 0.00 56.93 57.65 2g2p s PHE 66 Cb -0.16 -2.76 0.10 0.00 -0.57 0.00 0.00 43.02 39.64 2g2p s PHE 66 CO -0.08 -0.27 2.05 1.63 -0.10 0.00 0.00 175.22 178.45 2g2p n LYS 67 N 5.49 3.20 0.17 0.44 4.76 0.03 -1.15 118.16 131.10 2g2p n LYS 67 Ca -0.03 -3.04 0.12 0.00 -2.87 0.00 0.00 58.31 52.49 2g2p n LYS 67 Cb 0.50 -3.14 0.11 0.00 -1.84 0.00 0.00 35.03 30.65 2g2p n LYS 67 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2g2p h THR 68 N 3.96 0.00 -0.46 -0.18 1.35 -1.86 -3.25 112.91 112.47 2g2p h THR 68 Ca 0.49 -0.98 -0.05 0.00 -0.55 0.00 0.00 66.41 65.31 2g2p h THR 68 Cb 0.65 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 2g2p h THR 68 CO 1.75 0.00 0.08 1.23 -0.25 0.00 0.00 175.52 178.33 2g2p h GLY 69 N 4.02 0.81 0.87 5.82 0.00 -1.59 -1.67 103.07 111.33 2g2p h GLY 69 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 47.33 46.82 2g2p h GLY 69 CO 0.00 0.50 0.51 -0.55 0.00 0.00 0.00 176.54 177.00 2g2p h ASP 70 N 0.62 0.84 -0.11 0.19 3.32 -1.75 -0.68 116.42 118.86 2g2p h ASP 70 Ca 0.14 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2g2p h ASP 70 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2g2p h ASP 70 CO 0.01 0.58 0.06 0.22 -1.72 0.00 0.00 179.24 178.39 2g2p h TYR 71 N 0.99 0.15 -0.28 4.55 3.20 -1.49 -1.26 116.97 122.83 2g2p h TYR 71 Ca 0.32 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 2g2p h TYR 71 Cb 0.02 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2g2p h TYR 71 CO -0.03 0.16 -0.23 0.74 -1.64 0.00 0.00 178.16 177.16 2g2p h PHE 72 N 0.09 0.59 -0.42 -3.82 0.04 -1.25 -3.11 116.94 109.05 2g2p h PHE 72 Ca 0.04 -0.12 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 2g2p h PHE 72 Cb 0.06 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2g2p h PHE 72 CO -0.05 0.72 0.06 -0.22 -0.60 0.00 0.00 178.31 178.21 2g2p h LYS 73 N 0.47 0.65 0.00 1.51 3.64 -0.48 0.53 116.57 122.88 2g2p h LYS 73 Ca 0.07 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2g2p h LYS 73 Cb 0.65 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2g2p h LYS 73 CO 0.05 0.63 -0.14 0.87 -2.27 0.00 0.00 179.45 178.59 2g2p h LYS 74 N 0.63 0.00 -0.18 1.90 1.57 -1.18 -1.19 116.57 118.11 2g2p h LYS 74 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2g2p h LYS 74 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2g2p h LYS 74 CO 0.01 0.14 0.00 1.04 -0.57 0.00 0.00 179.45 180.07 2g2p n GLN 75 N -3.50 1.66 -3.72 3.15 6.02 -0.02 -4.92 117.38 116.06 2g2p n GLN 75 Ca -0.01 -1.00 -0.27 0.00 -0.01 0.00 0.00 57.00 55.71 2g2p n GLN 75 Cb 0.30 -1.36 0.05 0.00 1.02 0.00 0.00 30.24 30.25 2g2p n GLN 75 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2g2p n ASN 76 N 0.24 -5.62 -4.29 1.08 4.13 -0.45 -5.03 115.26 105.32 2g2p n ASN 76 Ca 0.15 -0.64 -0.30 0.00 1.68 0.00 0.00 54.58 55.47 2g2p n ASN 76 Cb 0.29 -4.45 -0.16 0.00 -1.54 0.00 0.00 39.78 33.92 2g2p n ASN 76 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2g2p s LEU 77 N -7.26 2.05 0.36 3.41 1.43 -0.07 -5.01 118.68 113.60 2g2p s LEU 77 Ca 0.61 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 2g2p s LEU 77 Cb -0.29 -1.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 2g2p s LEU 77 CO 0.76 0.30 0.75 -1.61 0.23 0.00 0.00 176.35 176.78 2g2p s GLU 78 N -0.54 3.89 0.02 1.70 2.02 -1.26 -3.32 118.70 121.21 2g2p s GLU 78 Ca 0.08 0.57 -0.01 0.00 0.02 0.00 0.00 54.97 55.63 2g2p s GLU 78 Cb -0.10 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 2g2p s GLU 78 CO -0.00 0.06 -0.00 0.45 0.02 0.00 0.00 175.26 175.78 2g2p s SER 79 N -2.72 0.23 0.36 -0.19 0.15 -1.26 -4.84 113.70 105.43 2g2p s SER 79 Ca 0.53 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.71 2g2p s SER 79 Cb -0.10 0.13 0.68 0.00 -1.71 0.00 0.00 66.02 65.02 2g2p s SER 79 CO 0.24 -0.35 2.01 0.15 1.20 0.00 0.00 173.24 176.50 2g2p h PHE 80 N 4.42 0.71 -3.35 3.44 3.57 -1.63 -3.44 116.94 120.66 2g2p h PHE 80 Ca -0.32 0.01 -0.63 0.00 3.53 0.00 0.00 57.97 60.56 2g2p h PHE 80 Cb 1.20 -0.24 -0.20 0.00 2.79 0.00 0.00 35.95 39.51 2g2p h PHE 80 CO 0.63 0.47 -0.62 -0.06 -2.23 0.00 0.00 178.31 176.50 2g2p s PHE 81 N -5.60 3.12 0.36 0.41 0.08 -1.26 -4.97 117.98 110.12 2g2p s PHE 81 Ca -0.09 -0.18 0.09 0.00 0.12 0.00 0.00 56.93 56.86 2g2p s PHE 81 Cb 0.17 -2.05 0.70 0.00 -0.57 0.00 0.00 43.02 41.27 2g2p s PHE 81 CO 0.76 -0.02 1.86 -1.00 -0.10 0.00 0.00 175.22 176.71 2g2p h PRO 82 N 6.97 0.22 -2.68 0.24 0.13 -1.97 -3.34 132.00 131.56 2g2p h PRO 82 Ca -0.35 -0.06 0.12 0.00 -0.87 0.00 0.00 66.00 64.84 2g2p h PRO 82 Cb 1.18 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 2g2p h PRO 82 CO 0.65 0.43 0.35 -1.83 -0.23 0.00 0.00 178.00 177.37 2g2p s GLU 83 N -4.54 1.47 -0.31 0.86 -1.05 -1.26 -2.33 118.70 111.54 2g2p s GLU 83 Ca -0.05 -0.80 -0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2g2p s GLU 83 Cb 0.15 0.51 0.10 0.00 -0.44 0.00 0.00 34.13 34.45 2g2p s GLU 83 CO 0.74 -0.67 0.09 0.42 0.95 0.00 0.00 175.26 176.78 2g2p s ILE 84 N -3.60 1.05 0.19 1.83 1.01 -0.30 -4.91 121.20 116.47 2g2p s ILE 84 Ca 0.11 -1.49 -0.28 0.00 0.00 0.00 0.00 60.65 58.99 2g2p s ILE 84 Cb -0.04 -1.78 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 2g2p s ILE 84 CO 0.04 -0.64 0.87 -2.16 0.00 0.00 0.00 174.94 173.05 2g2p s PRO 85 N 1.53 4.72 -0.16 2.79 0.04 -1.26 -1.13 135.00 141.53 2g2p s PRO 85 Ca 0.09 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 2g2p s PRO 85 Cb -0.17 -3.29 0.04 0.00 0.04 0.00 0.00 34.50 31.11 2g2p s PRO 85 CO -0.22 0.49 -0.07 0.08 0.04 0.00 0.00 177.00 177.31 2g2p s VAL 86 N -0.96 1.20 -0.12 -0.36 1.01 0.59 -5.00 120.40 116.77 2g2p s VAL 86 Ca 0.40 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2g2p s VAL 86 Cb -0.24 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2g2p s VAL 86 CO 0.29 0.20 0.34 -1.61 0.00 0.00 0.00 175.10 174.32 2g2p s GLU 87 N 1.60 4.17 0.16 2.72 2.02 -1.26 -1.34 118.70 126.77 2g2p s GLU 87 Ca 0.02 0.20 -0.02 0.00 0.02 0.00 0.00 54.97 55.18 2g2p s GLU 87 Cb -0.15 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 2g2p s GLU 87 CO -0.08 0.33 0.12 -0.59 0.02 0.00 0.00 175.26 175.06 2g2p s PHE 88 N 0.16 0.91 -0.16 1.61 -0.12 -0.22 -4.98 117.98 115.18 2g2p s PHE 88 Ca 0.19 -1.22 0.00 0.00 -0.05 0.00 0.00 56.93 55.85 2g2p s PHE 88 Cb -0.14 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 41.81 2g2p s PHE 88 CO 0.07 -0.60 -0.16 -1.58 -0.05 0.00 0.00 175.22 172.90 2g2p s HIS 89 N -4.08 2.78 -0.26 3.49 5.65 -1.26 -0.32 115.29 121.29 2g2p s HIS 89 Ca 0.29 -1.12 -0.16 0.00 0.25 0.00 0.00 55.06 54.33 2g2p s HIS 89 Cb 0.07 -1.90 -0.04 0.00 -1.18 0.00 0.00 32.58 29.53 2g2p s HIS 89 CO 0.06 -0.52 0.40 0.42 -0.65 0.00 0.00 174.74 174.45 2g2p s ILE 90 N 0.91 5.16 -0.20 0.89 1.01 0.05 -4.96 121.20 124.05 2g2p s ILE 90 Ca -0.04 0.65 -0.11 0.00 0.00 0.00 0.00 60.65 61.15 2g2p s ILE 90 Cb -0.15 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 2g2p s ILE 90 CO -0.02 0.16 -0.28 -0.46 0.00 0.00 0.00 174.94 174.35 2g2p n ASN 91 N 5.23 1.55 -4.64 3.58 6.94 -1.26 -0.96 115.26 125.70 2g2p n ASN 91 Ca -0.08 0.27 -0.39 0.00 -0.02 0.00 0.00 54.58 54.36 2g2p n ASN 91 Cb 0.51 -0.63 -0.08 0.00 -2.36 0.00 0.00 39.78 37.21 2g2p n ASN 91 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2g2p s LYS 92 N -2.44 4.10 0.42 -3.83 1.02 -1.26 -4.66 119.74 113.09 2g2p s LYS 92 Ca -0.29 0.22 0.23 0.00 0.02 0.00 0.00 55.97 56.15 2g2p s LYS 92 Cb 0.10 -3.60 0.62 0.00 -0.52 0.00 0.00 37.83 34.43 2g2p s LYS 92 CO 0.37 -0.20 1.70 -0.39 -0.92 0.00 0.00 175.35 175.90 2g2p h VAL 93 N 5.24 0.39 -0.60 3.17 -1.51 -1.91 -3.19 116.25 117.84 2g2p h VAL 93 Ca -0.33 -1.27 0.00 0.00 -1.23 0.00 0.00 66.70 63.88 2g2p h VAL 93 Cb 1.15 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.27 2g2p h VAL 93 CO 0.70 0.19 0.00 0.59 -1.23 0.00 0.00 177.57 177.82 2g2p n ASN 94 N -3.22 4.98 -4.93 4.19 3.02 -1.26 -4.68 115.26 113.36 2g2p n ASN 94 Ca 0.02 -2.62 -0.25 0.00 -0.03 0.00 0.00 54.58 51.69 2g2p n ASN 94 Cb 0.51 -0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 2g2p n ASN 94 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2g2p s GLU 95 N -2.17 3.52 -0.18 3.52 2.12 -1.21 -5.06 118.70 119.24 2g2p s GLU 95 Ca 0.51 -0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.41 2g2p s GLU 95 Cb 0.35 -2.64 -0.02 0.00 0.26 0.00 0.00 34.13 32.08 2g2p s GLU 95 CO 0.21 0.15 0.69 -1.58 -0.54 0.00 0.00 175.26 174.18 2g2p s HIS 96 N -2.28 3.40 -0.11 5.30 5.65 -1.26 -4.74 115.29 121.25 2g2p s HIS 96 Ca 0.41 1.03 0.00 0.00 0.25 0.00 0.00 55.06 56.76 2g2p s HIS 96 Cb -0.10 -2.86 -0.02 0.00 -1.18 0.00 0.00 32.58 28.42 2g2p s HIS 96 CO 0.35 -0.18 -0.11 0.71 -0.65 0.00 0.00 174.74 174.86 2g2p s TYR 97 N 1.91 2.83 -0.11 3.88 2.02 0.82 -5.02 117.35 123.69 2g2p s TYR 97 Ca 0.32 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.61 2g2p s TYR 97 Cb -0.16 -1.79 0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2g2p s TYR 97 CO 0.11 -0.03 -0.02 -1.58 -1.57 0.00 0.00 175.55 172.46 2g2p s HIS 98 N -0.04 1.09 -0.52 2.71 2.46 -1.26 -1.08 115.29 118.65 2g2p s HIS 98 Ca -0.02 -0.54 0.02 0.00 0.47 0.00 0.00 55.06 54.99 2g2p s HIS 98 Cb -0.14 -1.02 0.13 0.00 -0.13 0.00 0.00 32.58 31.42 2g2p s HIS 98 CO 0.04 -0.46 0.28 0.08 -2.47 0.00 0.00 174.74 172.21 2g2p s VAL 99 N 1.84 2.90 0.52 0.89 1.01 -0.04 -0.76 120.40 126.76 2g2p s VAL 99 Ca 0.04 -3.00 -0.15 0.00 0.00 0.00 0.00 61.98 58.86 2g2p s VAL 99 Cb -0.13 -2.98 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 2g2p s VAL 99 CO -0.07 -0.78 0.98 -2.84 0.00 0.00 0.00 175.10 172.39 2g2p s PRO 100 N 0.03 3.89 -0.11 2.72 0.02 -1.25 -3.37 135.00 136.93 2g2p s PRO 100 Ca 0.16 0.90 0.00 0.00 0.02 0.00 0.00 61.00 62.08 2g2p s PRO 100 Cb -0.23 -2.14 0.02 0.00 0.02 0.00 0.00 34.50 32.17 2g2p s PRO 100 CO -0.02 -0.30 -0.11 -1.17 -0.33 0.00 0.00 177.00 175.07 2g2p s LEU 101 N -4.20 1.45 -0.38 -5.54 2.96 0.51 -3.68 118.68 109.80 2g2p s LEU 101 Ca 0.58 -0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 53.99 2g2p s LEU 101 Cb -0.10 -0.96 0.01 0.00 0.50 0.00 0.00 46.19 45.64 2g2p s LEU 101 CO 0.34 -0.06 0.26 -0.76 -1.32 0.00 0.00 176.35 174.81 2g2p s LEU 102 N 1.40 4.80 -0.08 -0.68 1.43 -0.29 -0.86 118.68 124.40 2g2p s LEU 102 Ca 0.00 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.38 2g2p s LEU 102 Cb -0.13 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2g2p s LEU 102 CO -0.06 -0.36 -0.14 -0.22 0.23 0.00 0.00 176.35 175.80 2g2p s LEU 103 N 1.67 2.73 0.20 1.79 2.96 -0.11 -1.53 118.68 126.40 2g2p s LEU 103 Ca 0.05 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2g2p s LEU 103 Cb -0.18 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2g2p s LEU 103 CO 0.09 0.28 0.06 -0.44 -1.32 0.00 0.00 176.35 175.02 2g2p s SER 104 N -0.32 0.96 0.35 3.68 0.01 0.24 -1.06 113.70 117.55 2g2p s SER 104 Ca 0.03 -1.28 0.04 0.00 1.31 0.00 0.00 55.95 56.04 2g2p s SER 104 Cb -0.13 0.19 0.65 0.00 0.21 0.00 0.00 66.02 66.94 2g2p s SER 104 CO 0.03 -0.68 1.96 1.56 0.41 0.00 0.00 173.24 176.51 2g2p h GLN 105 N 2.59 0.67 0.00 12.44 4.20 -2.00 -3.21 115.11 129.80 2g2p h GLN 105 Ca -0.37 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 2g2p h GLN 105 Cb 1.23 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 2g2p h GLN 105 CO 0.60 0.53 -0.22 0.66 -0.67 0.00 0.00 178.83 179.74 2g2p n TYR 106 N -4.38 0.00 -3.56 2.96 4.01 -1.26 -1.50 117.16 113.44 2g2p n TYR 106 Ca 0.04 -0.64 -0.12 0.00 -0.16 0.00 0.00 57.90 57.02 2g2p n TYR 106 Cb 0.13 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.00 2g2p n TYR 106 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2g2p s GLY 107 N -2.19 -0.36 0.16 2.72 0.00 -1.21 -4.95 107.32 101.49 2g2p s GLY 107 Ca 0.21 1.75 -0.19 0.00 0.00 0.00 0.00 44.72 46.49 2g2p s GLY 107 CO 0.01 0.93 0.50 -2.52 0.00 0.00 0.00 173.10 172.02 2g2p s TYR 108 N -1.38 -0.27 0.06 1.90 -0.85 -1.26 -0.59 117.35 114.94 2g2p s TYR 108 Ca -0.03 -0.03 0.04 0.00 -0.52 0.00 0.00 57.07 56.54 2g2p s TYR 108 Cb -0.00 0.40 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2g2p s TYR 108 CO 0.02 -0.82 -0.13 -1.12 -1.52 0.00 0.00 175.55 171.98 2g2p s SER 109 N -2.81 1.49 0.10 -0.18 0.01 -0.58 -5.00 113.70 106.73 2g2p s SER 109 Ca 0.05 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 2g2p s SER 109 Cb -0.00 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.16 2g2p s SER 109 CO -0.09 -0.08 0.09 0.28 0.41 0.00 0.00 173.24 173.86 2g2p s THR 110 N -1.18 0.15 0.27 1.44 -1.32 -1.26 -1.14 115.64 112.59 2g2p s THR 110 Ca -0.03 -1.63 -0.20 0.00 -1.21 0.00 0.00 61.69 58.62 2g2p s THR 110 Cb -0.09 -1.68 0.06 0.00 -1.51 0.00 0.00 72.50 69.28 2g2p s THR 110 CO 0.02 -0.66 0.88 -0.72 -2.21 0.00 0.00 174.62 171.92 2g2p s TYR 111 N -3.95 0.01 -0.48 9.09 -0.85 -1.24 -5.05 117.35 114.87 2g2p s TYR 111 Ca 0.13 -0.50 -0.24 0.00 -0.52 0.00 0.00 57.07 55.93 2g2p s TYR 111 Cb 0.06 0.74 0.03 0.00 0.38 0.00 0.00 41.96 43.18 2g2p s TYR 111 CO -0.05 -1.19 0.87 0.50 -1.52 0.00 0.00 175.55 174.16 2g2p s ARG 112 N -2.71 3.42 1.04 -3.49 3.52 -1.26 -3.84 118.95 115.62 2g2p s ARG 112 Ca 0.16 -0.08 -0.17 0.00 -0.13 0.00 0.00 55.73 55.51 2g2p s ARG 112 Cb -0.04 -3.97 0.24 0.00 -1.56 0.00 0.00 34.95 29.62 2g2p s ARG 112 CO 0.07 -1.26 1.31 0.20 -0.81 0.00 0.00 175.30 174.81 2g2p s GLY 113 N 2.40 1.77 0.00 8.12 0.00 0.06 -5.01 107.32 114.66 2g2p s GLY 113 Ca 0.32 -1.26 0.28 0.00 0.00 0.00 0.00 44.72 44.06 2g2p s GLY 113 CO 0.23 -0.42 2.02 1.44 0.00 0.00 0.00 173.10 176.37