#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g2p s ASN 4 N 0.00 5.44 0.39 1.08 2.47 -1.26 -4.93 114.94 118.13 2g2p s ASN 4 Ca 0.00 1.99 0.09 0.00 0.42 0.00 0.00 52.86 55.36 2g2p s ASN 4 Cb 0.00 -2.55 0.86 0.00 -1.45 0.00 0.00 41.25 38.10 2g2p s ASN 4 CO 0.00 -1.40 1.97 -0.29 -3.72 0.00 0.00 177.10 173.66 2g2p h ILE 5 N 0.43 0.98 -3.21 -5.21 2.10 -1.90 -3.41 117.51 107.28 2g2p h ILE 5 Ca -0.48 -0.21 -0.51 0.00 1.08 0.00 0.00 64.86 64.74 2g2p h ILE 5 Cb 1.24 0.31 -0.37 0.00 -1.09 0.00 0.00 36.82 36.92 2g2p h ILE 5 CO 0.56 0.11 -0.80 -0.22 -1.08 0.00 0.00 178.15 176.72 2g2p s LEU 6 N -9.56 1.13 0.09 2.19 2.96 -1.26 0.60 118.68 114.82 2g2p s LEU 6 Ca -0.09 -0.27 0.09 0.00 -0.22 0.00 0.00 54.13 53.65 2g2p s LEU 6 Cb 0.19 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2g2p s LEU 6 CO 0.76 -0.12 -0.23 -0.44 -1.32 0.00 0.00 176.35 175.00 2g2p s SER 7 N 1.67 3.51 0.05 3.68 0.01 -0.30 -1.03 113.70 121.29 2g2p s SER 7 Ca 0.04 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2g2p s SER 7 Cb -0.13 -0.39 -0.03 0.00 0.21 0.00 0.00 66.02 65.68 2g2p s SER 7 CO -0.07 0.22 -0.07 0.68 0.41 0.00 0.00 173.24 174.41 2g2p s VAL 8 N -0.98 0.48 0.16 3.43 -7.23 -0.80 -1.21 120.40 114.24 2g2p s VAL 8 Ca 0.14 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 58.94 2g2p s VAL 8 Cb -0.10 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.05 2g2p s VAL 8 CO 0.06 -0.52 0.36 -1.38 -0.31 0.00 0.00 175.10 173.31 2g2p s HIS 9 N -1.93 0.11 -0.07 2.82 -3.43 -1.24 -0.64 115.29 110.90 2g2p s HIS 9 Ca -0.06 -0.47 0.01 0.00 -0.80 0.00 0.00 55.06 53.75 2g2p s HIS 9 Cb -0.06 0.13 0.02 0.00 -1.43 0.00 0.00 32.58 31.24 2g2p s HIS 9 CO -0.01 -0.75 -0.09 0.42 -2.00 0.00 0.00 174.74 172.31 2g2p s ILE 10 N -3.90 0.95 -0.19 -5.38 1.01 -0.48 -0.23 121.20 112.99 2g2p s ILE 10 Ca 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 2g2p s ILE 10 Cb 0.02 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2g2p s ILE 10 CO -0.04 0.33 -0.02 -0.22 0.00 0.00 0.00 174.94 174.98 2g2p s LEU 11 N 0.99 3.15 -0.49 2.97 0.20 -0.19 -1.57 118.68 123.74 2g2p s LEU 11 Ca -0.09 -0.23 -0.25 0.00 0.69 0.00 0.00 54.13 54.25 2g2p s LEU 11 Cb -0.15 -1.79 0.03 0.00 -0.43 0.00 0.00 46.19 43.86 2g2p s LEU 11 CO 0.00 0.08 0.94 0.21 -0.29 0.00 0.00 176.35 177.28 2g2p s ASN 12 N 0.92 6.46 0.00 3.68 3.84 -0.10 -0.62 114.94 129.12 2g2p s ASN 12 Ca 0.00 0.00 0.19 0.00 0.21 0.00 0.00 52.86 53.26 2g2p s ASN 12 Cb -0.14 -2.45 0.81 0.00 -0.55 0.00 0.00 41.25 38.91 2g2p s ASN 12 CO 0.01 -1.11 1.59 0.00 -2.79 0.00 0.00 177.10 174.81 2g2p n GLN 13 N 7.28 0.02 0.01 0.43 6.02 -0.19 0.04 117.38 130.99 2g2p n GLN 13 Ca 0.05 0.18 -0.10 0.00 -0.01 0.00 0.00 57.00 57.11 2g2p n GLN 13 Cb 0.48 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.11 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 0.06 0.00 -1.09 4.20 -1.91 -3.37 115.11 113.00 2g2p h GLN 14 Ca 0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2g2p h GLN 14 Cb 0.31 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2g2p h GLN 14 CO 0.00 0.75 -1.32 0.25 -0.67 0.00 0.00 178.83 177.83 2g2p n THR 15 N -3.20 0.00 -2.16 -0.54 -2.24 -1.13 -5.00 114.28 100.01 2g2p n THR 15 Ca -0.14 -0.26 -0.17 0.00 -2.27 0.00 0.00 64.05 61.21 2g2p n THR 15 Cb 1.03 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 1.47 0.07 3.33 3.38 0.00 0.11 -5.01 105.19 108.54 2g2p n GLY 16 Ca -0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.56 1.38 0.55 1.61 1.02 -1.14 -4.97 119.74 113.63 2g2p s LYS 17 Ca 0.00 -1.72 -0.20 0.00 0.02 0.00 0.00 55.97 54.07 2g2p s LYS 17 Cb 0.00 -0.51 -0.05 0.00 -0.52 0.00 0.00 37.83 36.75 2g2p s LYS 17 CO 0.00 -0.17 1.18 -2.14 -0.92 0.00 0.00 175.35 173.30 2g2p s PRO 18 N -3.92 3.24 -0.54 -1.68 0.02 -1.26 -0.92 135.00 129.93 2g2p s PRO 18 Ca 0.32 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 62.87 2g2p s PRO 18 Cb 0.07 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.61 2g2p s PRO 18 CO 0.11 -0.97 0.82 0.00 -0.33 0.00 0.00 177.00 176.62 2g2p s ALA 19 N -1.65 3.25 0.30 -1.55 0.00 -0.61 -4.69 121.76 116.82 2g2p s ALA 19 Ca 0.74 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 51.04 2g2p s ALA 19 Cb -0.28 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.16 2g2p s ALA 19 CO 0.31 -2.28 0.71 0.00 0.00 0.00 0.00 175.76 174.51 2g2p s ALA 20 N 3.42 3.36 -1.37 0.00 0.00 -1.26 -4.27 121.76 121.64 2g2p s ALA 20 Ca 0.23 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 2g2p s ALA 20 Cb -0.16 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.26 2g2p s ALA 20 CO 0.15 0.35 1.00 -3.47 0.00 0.00 0.00 175.76 173.79 2g2p n ASP 21 N -0.27 -4.08 -4.61 0.00 2.03 -0.36 -4.95 116.55 104.31 2g2p n ASP 21 Ca 0.03 -0.68 -0.36 0.00 0.52 0.00 0.00 54.79 54.30 2g2p n ASP 21 Cb 0.53 -4.53 -0.10 0.00 -0.72 0.00 0.00 41.12 36.30 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 -3.39 4.98 0.30 5.18 1.01 -1.26 -4.84 120.40 122.39 2g2p s VAL 22 Ca 0.38 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 2g2p s VAL 22 Cb -0.18 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 2g2p s VAL 22 CO 0.78 0.38 1.27 -0.89 0.00 0.00 0.00 175.10 176.64 2g2p s THR 23 N 0.92 2.93 -0.04 3.92 2.01 -1.26 -1.03 115.64 123.09 2g2p s THR 23 Ca 0.06 0.90 -0.00 0.00 0.31 0.00 0.00 61.69 62.96 2g2p s THR 23 Cb -0.13 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.83 2g2p s THR 23 CO 0.03 0.20 0.01 -0.69 -0.69 0.00 0.00 174.62 173.48 2g2p s VAL 24 N -0.94 0.16 0.21 3.82 1.01 0.63 -0.99 120.40 124.30 2g2p s VAL 24 Ca 0.49 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.69 2g2p s VAL 24 Cb -0.38 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2g2p s VAL 24 CO 0.48 0.17 0.18 0.42 0.00 0.00 0.00 175.10 176.36 2g2p s THR 25 N 1.38 4.56 -0.07 3.92 -4.23 -0.65 -1.67 115.64 118.88 2g2p s THR 25 Ca -0.05 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2g2p s THR 25 Cb -0.13 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.32 2g2p s THR 25 CO -0.03 -0.23 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.44 2g2p s LEU 26 N -3.48 1.83 0.05 4.79 2.96 -0.43 -0.88 118.68 123.52 2g2p s LEU 26 Ca 0.32 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 2g2p s LEU 26 Cb -0.09 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.53 2g2p s LEU 26 CO 0.25 0.09 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.68 2g2p s GLU 27 N 0.47 0.54 -0.09 1.98 2.02 0.19 -0.22 118.70 123.58 2g2p s GLU 27 Ca -0.15 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.07 2g2p s GLU 27 Cb -0.16 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.77 2g2p s GLU 27 CO 0.05 0.04 -0.13 0.21 0.02 0.00 0.00 175.26 175.45 2g2p s LYS 28 N -1.72 3.00 0.19 1.61 2.20 0.42 -1.06 119.74 124.38 2g2p s LYS 28 Ca -0.09 -0.68 -0.30 0.00 -0.36 0.00 0.00 55.97 54.54 2g2p s LYS 28 Cb -0.09 -2.53 -0.09 0.00 -1.51 0.00 0.00 37.83 33.62 2g2p s LYS 28 CO 0.00 0.40 1.31 0.21 -0.36 0.00 0.00 175.35 176.91 2g2p s LYS 29 N -0.14 4.39 -0.19 4.03 2.20 -0.42 -0.38 119.74 129.23 2g2p s LYS 29 Ca -0.01 2.04 -0.09 0.00 -0.36 0.00 0.00 55.97 57.56 2g2p s LYS 29 Cb -0.14 -3.21 0.08 0.00 -1.51 0.00 0.00 37.83 33.05 2g2p s LYS 29 CO 0.03 -0.27 0.44 0.00 -0.36 0.00 0.00 175.35 175.19 2g2p s ALA 30 N 0.24 -1.18 0.00 3.13 0.00 -0.32 -4.80 121.76 118.83 2g2p s ALA 30 Ca 0.57 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.13 2g2p s ALA 30 Cb -0.36 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.61 2g2p s ALA 30 CO 0.37 -0.50 0.00 -0.25 0.00 0.00 0.00 175.76 175.38 2g2p n ASP 31 N 4.77 0.00 -0.85 0.00 8.00 -1.26 -1.17 116.55 126.04 2g2p n ASP 31 Ca -0.17 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.44 2g2p n ASP 31 Cb 0.53 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.91 2g2p n ASP 31 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2g2p n ASN 32 N 4.21 2.56 0.00 -2.24 3.02 -1.26 -4.94 115.26 116.61 2g2p n ASN 32 Ca 0.00 -1.87 0.00 0.00 -0.03 0.00 0.00 54.58 52.68 2g2p n ASN 32 Cb 0.00 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2g2p n ASN 32 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2g2p n GLY 33 N 1.31 5.53 2.95 7.41 0.00 -0.31 -5.17 105.19 116.91 2g2p n GLY 33 Ca 0.17 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 1.31 -0.15 -0.18 1.61 0.52 -1.26 -1.18 118.94 119.61 2g2p s TRP 34 Ca 0.00 0.43 -0.07 0.00 0.02 0.00 0.00 56.10 56.48 2g2p s TRP 34 Cb 0.00 -0.05 -0.04 0.00 -1.15 0.00 0.00 33.47 32.23 2g2p s TRP 34 CO 0.00 -0.14 0.07 -0.51 0.02 0.00 0.00 176.95 176.39 2g2p s LEU 35 N 0.83 3.84 0.06 2.99 1.43 0.49 -4.88 118.68 123.44 2g2p s LEU 35 Ca -0.06 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 2g2p s LEU 35 Cb -0.08 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2g2p s LEU 35 CO -0.04 0.18 1.13 -1.58 0.23 0.00 0.00 176.35 176.27 2g2p s GLN 36 N 0.32 4.48 -0.14 1.70 0.74 -1.26 -0.43 119.66 125.07 2g2p s GLN 36 Ca 0.04 1.67 0.16 0.00 0.05 0.00 0.00 55.36 57.28 2g2p s GLN 36 Cb -0.12 -3.37 -0.23 0.00 1.10 0.00 0.00 33.01 30.39 2g2p s GLN 36 CO 0.00 -0.17 0.13 1.28 -0.55 0.00 0.00 175.29 175.98 2g2p n LEU 37 N 3.74 0.00 -3.48 3.68 4.77 0.69 -4.93 117.00 121.47 2g2p n LEU 37 Ca 0.07 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 2g2p n LEU 37 Cb 0.48 0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 2g2p n LEU 37 CO 0.54 0.34 0.58 0.21 -1.33 0.00 0.00 177.39 177.74 2g2p s ASN 38 N -4.92 -0.45 0.00 -1.43 2.47 -1.11 -4.71 114.94 104.79 2g2p s ASN 38 Ca -0.08 0.06 -0.00 0.00 0.42 0.00 0.00 52.86 53.26 2g2p s ASN 38 Cb 0.06 0.46 -0.00 0.00 -1.45 0.00 0.00 41.25 40.32 2g2p s ASN 38 CO 0.72 -0.72 0.00 0.28 -3.72 0.00 0.00 177.10 173.66 2g2p s THR 39 N -3.11 0.02 0.34 -5.21 -1.32 -1.26 -1.31 115.64 103.79 2g2p s THR 39 Ca 0.02 -0.20 -0.07 0.00 -1.21 0.00 0.00 61.69 60.24 2g2p s THR 39 Cb -0.01 -0.08 0.01 0.00 -1.51 0.00 0.00 72.50 70.92 2g2p s THR 39 CO -0.09 -0.11 0.54 0.00 -2.21 0.00 0.00 174.62 172.76 2g2p s ALA 40 N -0.32 0.30 -0.02 11.08 0.00 -0.67 -4.99 121.76 127.14 2g2p s ALA 40 Ca -0.04 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.72 2g2p s ALA 40 Cb -0.02 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.12 2g2p s ALA 40 CO -0.00 -0.84 -0.18 0.15 0.00 0.00 0.00 175.76 174.89 2g2p s LYS 41 N -3.03 1.46 0.42 0.00 1.02 -1.26 -0.27 119.74 118.09 2g2p s LYS 41 Ca 0.26 -0.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.36 2g2p s LYS 41 Cb -0.01 -1.40 -0.09 0.00 -0.52 0.00 0.00 37.83 35.80 2g2p s LYS 41 CO 0.17 0.37 1.38 0.25 -0.92 0.00 0.00 175.35 176.60 2g2p n THR 42 N 2.67 2.56 -0.75 2.17 -2.24 -0.19 -4.79 114.28 113.71 2g2p n THR 42 Ca -0.15 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2g2p n THR 42 Cb 0.54 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 2g2p n THR 42 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2g2p n ASP 43 N 0.09 -0.21 0.26 3.42 5.68 0.59 -1.22 116.55 125.16 2g2p n ASP 43 Ca 0.05 -0.75 0.13 0.00 -0.50 0.00 0.00 54.79 53.72 2g2p n ASP 43 Cb 0.40 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.09 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 -1.41 116.57 114.77 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 0.13 0.00 -0.25 -2.00 0.00 0.00 179.45 177.33 2g2p n ASP 45 N -3.60 3.54 -0.42 7.07 8.00 -1.26 -4.75 116.55 125.14 2g2p n ASP 45 Ca -0.02 -2.40 -0.05 0.00 0.71 0.00 0.00 54.79 53.03 2g2p n ASP 45 Cb 0.26 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 0.69 0.77 3.69 0.44 0.00 -0.53 -4.75 105.19 105.50 2g2p n GLY 46 Ca 0.17 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.03 2.54 -0.36 1.61 0.52 -1.26 -1.38 118.95 118.59 2g2p s ARG 47 Ca 0.00 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.38 2g2p s ARG 47 Cb 0.00 -2.54 0.11 0.00 0.52 0.00 0.00 34.95 33.04 2g2p s ARG 47 CO 0.00 0.54 0.12 0.42 0.02 0.00 0.00 175.30 176.40 2g2p s ILE 48 N -1.32 1.55 0.41 1.52 1.01 0.18 -0.30 121.20 124.26 2g2p s ILE 48 Ca 0.26 -2.07 0.18 0.00 0.00 0.00 0.00 60.65 59.01 2g2p s ILE 48 Cb -0.12 -2.14 0.19 0.00 0.01 0.00 0.00 42.46 40.40 2g2p s ILE 48 CO 0.18 -0.71 1.96 0.11 0.00 0.00 0.00 174.94 176.49 2g2p h LYS 49 N 7.55 0.00 -2.78 2.79 1.57 -1.88 -2.14 116.57 121.68 2g2p h LYS 49 Ca -0.08 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.13 2g2p h LYS 49 Cb 0.99 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.90 2g2p h LYS 49 CO 0.51 0.22 -0.81 0.00 -0.57 0.00 0.00 179.45 178.80 2g2p s ALA 50 N -4.37 1.14 -0.18 3.86 0.00 -1.26 -4.06 121.76 116.90 2g2p s ALA 50 Ca -0.03 -1.83 0.21 0.00 0.00 0.00 0.00 51.96 50.32 2g2p s ALA 50 Cb 0.15 -1.62 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 2g2p s ALA 50 CO 0.67 -1.98 0.87 -0.11 0.00 0.00 0.00 175.76 175.22 2g2p n LEU 51 N 4.26 0.67 -4.74 0.00 7.94 -0.20 -4.87 117.00 120.06 2g2p n LEU 51 Ca 0.07 0.26 -0.41 0.00 -1.11 0.00 0.00 56.01 54.82 2g2p n LEU 51 Cb 0.38 -0.01 -0.03 0.00 0.53 0.00 0.00 43.42 44.28 2g2p n LEU 51 CO 0.14 -0.08 0.93 0.86 -1.11 0.00 0.00 177.39 178.13 2g2p s TRP 52 N -3.30 3.34 1.04 1.96 -0.11 -1.26 -4.82 118.94 115.78 2g2p s TRP 52 Ca -0.03 1.33 -0.15 0.00 1.22 0.00 0.00 56.10 58.47 2g2p s TRP 52 Cb 0.10 -3.52 0.21 0.00 -1.50 0.00 0.00 33.47 28.76 2g2p s TRP 52 CO 0.82 -1.54 1.13 -1.25 -4.62 0.00 0.00 176.95 171.48 2g2p s PRO 53 N -0.20 0.11 -1.33 5.86 0.04 -1.26 -4.88 135.00 133.34 2g2p s PRO 53 Ca 0.55 0.21 -0.15 0.00 0.04 0.00 0.00 61.00 61.64 2g2p s PRO 53 Cb -0.35 -1.73 0.09 0.00 0.04 0.00 0.00 34.50 32.55 2g2p s PRO 53 CO 0.38 -2.88 1.85 0.39 0.04 0.00 0.00 177.00 176.78 2g2p n GLU 54 N -4.22 3.17 -3.64 4.56 -0.58 -1.26 -4.75 120.64 113.92 2g2p n GLU 54 Ca 0.08 -3.20 -0.08 0.00 -0.42 0.00 0.00 57.16 53.54 2g2p n GLU 54 Cb 0.59 -3.31 -0.07 0.00 -0.57 0.00 0.00 31.44 28.08 2g2p n GLU 54 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 2g2p s GLN 55 N 3.13 0.61 0.19 3.49 0.74 -1.26 -5.13 119.66 121.43 2g2p s GLN 55 Ca 0.49 0.87 -0.32 0.00 0.05 0.00 0.00 55.36 56.45 2g2p s GLN 55 Cb 0.06 0.23 -0.11 0.00 1.10 0.00 0.00 33.01 34.29 2g2p s GLN 55 CO 0.01 -0.10 1.63 0.99 -0.55 0.00 0.00 175.29 177.28 2g2p s THR 56 N 0.85 2.34 0.22 -0.34 2.01 -1.26 -4.95 115.64 114.50 2g2p s THR 56 Ca -0.03 0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 2g2p s THR 56 Cb -0.05 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 2g2p s THR 56 CO -0.10 0.02 1.04 0.00 -0.69 0.00 0.00 174.62 174.90 2g2p s ALA 57 N 1.06 3.36 0.23 7.40 0.00 -1.26 -5.06 121.76 127.49 2g2p s ALA 57 Ca 0.71 0.76 0.09 0.00 0.00 0.00 0.00 51.96 53.52 2g2p s ALA 57 Cb -0.46 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2g2p s ALA 57 CO 0.33 -0.07 -0.01 0.95 0.00 0.00 0.00 175.76 176.96 2g2p s THR 58 N -0.72 3.54 0.81 0.00 -4.23 -1.26 -4.94 115.64 108.85 2g2p s THR 58 Ca 0.46 -1.71 -0.11 0.00 -1.18 0.00 0.00 61.69 59.14 2g2p s THR 58 Cb -0.29 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 70.80 2g2p s THR 58 CO 0.35 -0.26 1.14 0.42 -0.54 0.00 0.00 174.62 175.73 2g2p s THR 59 N -2.05 2.61 -5.00 3.99 -4.23 -1.26 -4.94 115.64 104.76 2g2p s THR 59 Ca 0.29 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2g2p s THR 59 Cb -0.08 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2g2p s THR 59 CO 0.19 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2g2p n GLY 60 N -0.28 -0.30 3.72 3.99 0.00 -0.63 -5.01 105.19 106.67 2g2p n GLY 60 Ca 0.11 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.51 5.36 0.09 1.61 1.01 -1.26 -0.47 116.67 119.51 2g2p s ASP 61 Ca 0.00 0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.34 2g2p s ASP 61 Cb 0.00 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.42 2g2p s ASP 61 CO 0.00 0.28 -0.07 -0.31 0.21 0.00 0.00 175.17 175.29 2g2p s TYR 62 N -1.12 0.87 -0.05 4.23 2.02 -0.60 -1.30 117.35 121.40 2g2p s TYR 62 Ca 0.20 -0.90 -0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2g2p s TYR 62 Cb -0.12 -0.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.96 2g2p s TYR 62 CO 0.11 -0.15 -0.01 0.50 -1.57 0.00 0.00 175.55 174.43 2g2p s ARG 63 N -3.72 0.60 -0.12 -0.62 3.52 -0.22 -1.10 118.95 117.29 2g2p s ARG 63 Ca 0.11 0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 55.65 2g2p s ARG 63 Cb 0.05 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.57 2g2p s ARG 63 CO -0.05 -0.20 0.18 0.14 -0.81 0.00 0.00 175.30 174.57 2g2p s VAL 64 N 1.43 5.42 -0.24 7.11 -7.23 -0.17 -0.64 120.40 126.08 2g2p s VAL 64 Ca -0.03 0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.46 2g2p s VAL 64 Cb -0.13 -3.46 0.06 0.00 0.56 0.00 0.00 36.38 33.40 2g2p s VAL 64 CO -0.03 0.57 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.54 2g2p s VAL 65 N -0.69 1.99 -0.29 1.32 1.01 -0.06 -0.83 120.40 122.86 2g2p s VAL 65 Ca 0.15 -1.46 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 2g2p s VAL 65 Cb -0.12 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2g2p s VAL 65 CO 0.04 0.01 0.87 -0.36 0.00 0.00 0.00 175.10 175.66 2g2p s PHE 66 N 1.20 3.23 -1.41 5.22 0.08 -0.14 -1.63 117.98 124.53 2g2p s PHE 66 Ca -0.07 1.03 -0.10 0.00 0.12 0.00 0.00 56.93 57.91 2g2p s PHE 66 Cb -0.19 -3.27 0.07 0.00 -0.57 0.00 0.00 43.02 39.06 2g2p s PHE 66 CO -0.06 -0.55 2.33 1.63 -0.10 0.00 0.00 175.22 178.47 2g2p n LYS 67 N 6.29 3.70 0.13 0.44 4.76 -0.16 -1.12 118.16 132.21 2g2p n LYS 67 Ca 0.06 -2.99 0.01 0.00 -2.87 0.00 0.00 58.31 52.52 2g2p n LYS 67 Cb 0.48 -2.91 0.05 0.00 -1.84 0.00 0.00 35.03 30.81 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 3.35 1.10 -0.58 -0.18 1.35 -1.85 -3.02 112.91 113.08 2g2p h THR 68 Ca 0.62 -2.38 0.06 0.00 -0.55 0.00 0.00 66.41 64.17 2g2p h THR 68 Cb 0.47 2.43 -0.06 0.00 -1.73 0.00 0.00 68.15 69.26 2g2p h THR 68 CO 1.69 0.59 0.28 1.23 -0.25 0.00 0.00 175.52 179.06 2g2p h GLY 69 N 3.05 0.82 1.06 5.82 0.00 -1.53 -0.74 103.07 111.56 2g2p h GLY 69 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 2g2p h GLY 69 CO 0.08 0.08 -0.04 -0.55 0.00 0.00 0.00 176.54 176.12 2g2p h ASP 70 N 0.52 0.98 -0.25 0.19 3.32 -1.72 -0.46 116.42 118.99 2g2p h ASP 70 Ca 0.27 -0.32 0.06 0.00 0.02 0.00 0.00 57.03 57.05 2g2p h ASP 70 Cb 0.22 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 2g2p h ASP 70 CO -0.21 1.07 -0.13 0.22 -1.72 0.00 0.00 179.24 178.47 2g2p h TYR 71 N 0.87 -0.33 -0.16 4.55 3.20 -1.29 -1.46 116.97 122.36 2g2p h TYR 71 Ca 0.15 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 2g2p h TYR 71 Cb 0.59 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2g2p h TYR 71 CO 0.04 -0.20 -0.43 0.74 -1.64 0.00 0.00 178.16 176.68 2g2p h PHE 72 N -0.11 0.44 -0.53 -3.82 0.04 -1.07 -3.19 116.94 108.71 2g2p h PHE 72 Ca 0.14 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 2g2p h PHE 72 Cb 0.31 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 2g2p h PHE 72 CO -0.31 0.74 0.10 -0.22 -0.60 0.00 0.00 178.31 178.02 2g2p h LYS 73 N 0.31 0.83 0.00 1.51 3.64 -0.50 -0.12 116.57 122.24 2g2p h LYS 73 Ca 0.03 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2g2p h LYS 73 Cb 0.88 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2g2p h LYS 73 CO 0.07 0.77 -0.19 0.87 -2.27 0.00 0.00 179.45 178.70 2g2p h LYS 74 N 0.79 0.00 -0.38 1.90 1.57 -1.27 -2.30 116.57 116.88 2g2p h LYS 74 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2g2p h LYS 74 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2g2p h LYS 74 CO 0.00 0.19 0.00 1.04 -0.57 0.00 0.00 179.45 180.11 2g2p n GLN 75 N -4.06 1.83 -3.74 3.15 6.02 -0.86 -4.93 117.38 114.78 2g2p n GLN 75 Ca -0.02 -1.12 -0.28 0.00 -0.01 0.00 0.00 57.00 55.57 2g2p n GLN 75 Cb 0.27 -1.32 0.03 0.00 1.02 0.00 0.00 30.24 30.23 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 0.37 -4.92 -4.34 1.08 4.13 -0.87 -4.99 115.26 105.71 2g2p n ASN 76 Ca 0.10 -0.66 -0.32 0.00 1.68 0.00 0.00 54.58 55.38 2g2p n ASN 76 Cb 0.31 -3.94 -0.15 0.00 -1.54 0.00 0.00 39.78 34.46 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 -7.13 2.43 0.45 3.41 1.43 -0.11 -5.02 118.68 114.14 2g2p s LEU 77 Ca 0.60 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.11 2g2p s LEU 77 Cb -0.30 -1.50 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 2g2p s LEU 77 CO 0.74 0.22 0.95 -1.61 0.23 0.00 0.00 176.35 176.88 2g2p s GLU 78 N -0.02 4.12 0.00 1.70 2.02 -1.26 -3.46 118.70 121.80 2g2p s GLU 78 Ca -0.06 1.03 -0.03 0.00 0.02 0.00 0.00 54.97 55.93 2g2p s GLU 78 Cb -0.15 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 2g2p s GLU 78 CO 0.05 -0.10 0.05 0.45 0.02 0.00 0.00 175.26 175.72 2g2p s SER 79 N -2.50 0.09 0.48 -0.19 0.15 -1.26 -4.84 113.70 105.62 2g2p s SER 79 Ca 0.60 -0.23 0.21 0.00 0.70 0.00 0.00 55.95 57.24 2g2p s SER 79 Cb -0.09 0.14 1.20 0.00 -1.71 0.00 0.00 66.02 65.55 2g2p s SER 79 CO 0.20 -0.24 2.00 0.15 1.20 0.00 0.00 173.24 176.55 2g2p h PHE 80 N 4.94 0.00 -3.45 3.44 3.57 -1.77 -3.42 116.94 120.25 2g2p h PHE 80 Ca -0.29 0.00 -0.65 0.00 3.53 0.00 0.00 57.97 60.55 2g2p h PHE 80 Cb 1.20 0.00 -0.26 0.00 2.79 0.00 0.00 35.95 39.68 2g2p h PHE 80 CO 0.57 0.18 -0.70 -0.06 -2.23 0.00 0.00 178.31 176.07 2g2p s PHE 81 N -4.29 2.99 0.42 0.41 0.08 -1.26 -4.97 117.98 111.36 2g2p s PHE 81 Ca -0.03 -0.78 0.09 0.00 0.12 0.00 0.00 56.93 56.33 2g2p s PHE 81 Cb 0.14 -2.13 0.92 0.00 -0.57 0.00 0.00 43.02 41.38 2g2p s PHE 81 CO 0.64 -0.48 2.05 -1.00 -0.10 0.00 0.00 175.22 176.33 2g2p h PRO 82 N 8.06 0.38 -2.77 0.24 0.13 -1.97 -3.30 132.00 132.78 2g2p h PRO 82 Ca -0.40 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 64.79 2g2p h PRO 82 Cb 1.17 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 2g2p h PRO 82 CO 0.60 0.30 0.31 -1.83 -0.23 0.00 0.00 178.00 177.15 2g2p s GLU 83 N -5.26 1.51 -0.28 0.86 -1.05 -1.26 -2.23 118.70 110.99 2g2p s GLU 83 Ca -0.07 -0.80 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 2g2p s GLU 83 Cb 0.17 0.54 0.08 0.00 -0.44 0.00 0.00 34.13 34.47 2g2p s GLU 83 CO 0.72 -0.69 0.01 0.42 0.95 0.00 0.00 175.26 176.67 2g2p s ILE 84 N -3.68 1.53 0.22 1.83 1.01 -0.27 -4.92 121.20 116.92 2g2p s ILE 84 Ca 0.10 -1.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.04 2g2p s ILE 84 Cb -0.04 -1.95 -0.08 0.00 0.01 0.00 0.00 42.46 40.39 2g2p s ILE 84 CO 0.03 -0.35 0.72 -2.16 0.00 0.00 0.00 174.94 173.18 2g2p s PRO 85 N 1.34 4.26 -0.08 2.79 0.04 -1.26 -0.96 135.00 141.13 2g2p s PRO 85 Ca 0.02 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 2g2p s PRO 85 Cb -0.18 -2.89 0.03 0.00 0.04 0.00 0.00 34.50 31.49 2g2p s PRO 85 CO -0.11 0.40 -0.02 0.08 0.04 0.00 0.00 177.00 177.39 2g2p s VAL 86 N -1.51 0.56 -0.13 -0.36 1.01 -0.01 -5.00 120.40 114.97 2g2p s VAL 86 Ca 0.43 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.34 2g2p s VAL 86 Cb -0.17 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 2g2p s VAL 86 CO 0.21 0.28 0.10 -1.61 0.00 0.00 0.00 175.10 174.09 2g2p s GLU 87 N 1.90 3.47 0.09 2.72 2.02 -1.26 -1.00 118.70 126.64 2g2p s GLU 87 Ca 0.05 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 54.69 2g2p s GLU 87 Cb -0.12 -3.13 0.02 0.00 0.10 0.00 0.00 34.13 30.99 2g2p s GLU 87 CO -0.06 0.67 0.32 -0.59 0.02 0.00 0.00 175.26 175.62 2g2p s PHE 88 N -0.73 -0.09 0.13 1.61 -0.12 -0.26 -4.99 117.98 113.53 2g2p s PHE 88 Ca 0.13 -0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.55 2g2p s PHE 88 Cb -0.12 0.13 -0.07 0.00 -0.63 0.00 0.00 43.02 42.33 2g2p s PHE 88 CO 0.03 -0.60 0.86 -1.01 -0.05 0.00 0.00 175.22 174.45 2g2p s HIS 89 N -3.38 3.85 -0.42 3.49 3.76 -1.26 -1.56 115.29 119.76 2g2p s HIS 89 Ca 0.01 1.70 -0.06 0.00 -0.15 0.00 0.00 55.06 56.56 2g2p s HIS 89 Cb 0.02 -2.91 0.10 0.00 1.11 0.00 0.00 32.58 30.90 2g2p s HIS 89 CO -0.09 0.34 0.24 0.42 -0.85 0.00 0.00 174.74 174.81 2g2p s ILE 90 N -0.50 3.71 -1.91 0.60 1.01 0.38 -4.94 121.20 119.54 2g2p s ILE 90 Ca 0.41 -1.80 0.22 0.00 0.00 0.00 0.00 60.65 59.48 2g2p s ILE 90 Cb -0.23 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 2g2p s ILE 90 CO 0.28 -0.63 1.06 -0.46 0.00 0.00 0.00 174.94 175.18 2g2p n ASN 91 N 4.75 1.92 -3.42 3.58 6.94 -1.26 -1.61 115.26 126.15 2g2p n ASN 91 Ca -0.06 -1.46 -0.17 0.00 -0.02 0.00 0.00 54.58 52.87 2g2p n ASN 91 Cb 0.42 0.54 -0.10 0.00 -2.36 0.00 0.00 39.78 38.27 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 -2.52 0.28 0.17 -3.83 1.02 -1.26 -4.98 119.74 108.62 2g2p s LYS 92 Ca 0.17 0.05 0.26 0.00 0.02 0.00 0.00 55.97 56.47 2g2p s LYS 92 Cb 0.18 -0.81 0.91 0.00 -0.52 0.00 0.00 37.83 37.59 2g2p s LYS 92 CO 0.60 -0.87 1.80 1.33 -0.92 0.00 0.00 175.35 177.30 2g2p n VAL 93 N 5.32 0.49 0.32 3.17 0.24 -1.26 -2.49 118.33 124.12 2g2p n VAL 93 Ca -0.03 -0.19 0.16 0.00 -2.04 0.00 0.00 64.34 62.23 2g2p n VAL 93 Cb 0.48 -0.60 0.65 0.00 -1.47 0.00 0.00 33.84 32.89 2g2p n VAL 93 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2g2p h ASN 94 N 0.00 0.00 -2.36 -1.34 -1.07 -1.96 -3.47 115.58 105.38 2g2p h ASN 94 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.92 2g2p h ASN 94 Cb 0.66 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.93 2g2p h ASN 94 CO 0.00 0.00 -0.20 -1.61 0.07 0.00 0.00 177.43 175.69 2g2p s GLU 95 N -3.57 3.08 -0.19 4.14 2.02 -1.04 -5.09 118.70 118.05 2g2p s GLU 95 Ca 0.02 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.18 2g2p s GLU 95 Cb 0.09 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 2g2p s GLU 95 CO 0.47 -0.14 0.20 -1.58 0.02 0.00 0.00 175.26 174.22 2g2p s HIS 96 N -2.40 3.43 -0.17 1.61 5.65 -1.26 -4.73 115.29 117.42 2g2p s HIS 96 Ca 0.47 0.43 -0.02 0.00 0.25 0.00 0.00 55.06 56.19 2g2p s HIS 96 Cb -0.10 -2.24 -0.02 0.00 -1.18 0.00 0.00 32.58 29.05 2g2p s HIS 96 CO 0.35 0.26 -0.07 0.71 -0.65 0.00 0.00 174.74 175.34 2g2p s TYR 97 N 0.42 2.93 -0.09 3.88 2.02 0.20 -5.01 117.35 121.70 2g2p s TYR 97 Ca 0.11 -0.61 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2g2p s TYR 97 Cb -0.12 -1.96 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2g2p s TYR 97 CO 0.00 -0.25 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.06 2g2p s HIS 98 N 0.70 1.40 -0.48 2.71 2.46 -1.26 -1.14 115.29 119.68 2g2p s HIS 98 Ca -0.04 -0.61 0.03 0.00 0.47 0.00 0.00 55.06 54.91 2g2p s HIS 98 Cb -0.15 -1.12 0.15 0.00 -0.13 0.00 0.00 32.58 31.33 2g2p s HIS 98 CO 0.02 -0.40 0.30 0.08 -2.47 0.00 0.00 174.74 172.28 2g2p s VAL 99 N 1.25 1.42 0.64 0.89 1.01 -0.35 -0.52 120.40 124.74 2g2p s VAL 99 Ca -0.04 -2.84 -0.13 0.00 0.00 0.00 0.00 61.98 58.97 2g2p s VAL 99 Cb -0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 2g2p s VAL 99 CO -0.03 -0.98 1.05 -2.84 0.00 0.00 0.00 175.10 172.30 2g2p s PRO 100 N 0.01 3.18 -0.11 2.72 0.02 -1.25 -3.61 135.00 135.96 2g2p s PRO 100 Ca 0.22 1.04 0.01 0.00 0.02 0.00 0.00 61.00 62.29 2g2p s PRO 100 Cb -0.16 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.36 2g2p s PRO 100 CO -0.06 -0.91 -0.14 -1.17 -0.33 0.00 0.00 177.00 174.39 2g2p s LEU 101 N -5.02 1.64 -0.34 -5.54 2.96 0.68 -3.77 118.68 109.28 2g2p s LEU 101 Ca 0.60 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.98 2g2p s LEU 101 Cb -0.14 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.50 2g2p s LEU 101 CO 0.46 -0.01 0.24 -0.76 -1.32 0.00 0.00 176.35 174.96 2g2p s LEU 102 N 1.10 4.50 -0.10 -0.68 1.43 -0.02 -1.02 118.68 123.89 2g2p s LEU 102 Ca -0.05 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 2g2p s LEU 102 Cb -0.14 -2.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 2g2p s LEU 102 CO -0.03 -0.23 -0.22 -0.22 0.23 0.00 0.00 176.35 175.88 2g2p s LEU 103 N 1.72 2.21 0.32 1.79 2.96 0.21 -1.34 118.68 126.55 2g2p s LEU 103 Ca 0.06 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 2g2p s LEU 103 Cb -0.17 -1.44 -0.06 0.00 0.50 0.00 0.00 46.19 45.01 2g2p s LEU 103 CO 0.10 0.17 0.03 -0.44 -1.32 0.00 0.00 176.35 174.89 2g2p s SER 104 N 0.28 2.58 0.29 3.68 0.01 0.49 -1.02 113.70 120.01 2g2p s SER 104 Ca -0.16 -1.34 -0.01 0.00 1.31 0.00 0.00 55.95 55.76 2g2p s SER 104 Cb -0.17 -0.13 0.46 0.00 0.21 0.00 0.00 66.02 66.39 2g2p s SER 104 CO 0.08 -0.54 1.94 1.56 0.41 0.00 0.00 173.24 176.69 2g2p h GLN 105 N 2.12 1.07 0.00 12.44 4.20 -1.99 -3.22 115.11 129.74 2g2p h GLN 105 Ca -0.41 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 2g2p h GLN 105 Cb 1.24 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2g2p h GLN 105 CO 0.70 0.71 -0.15 0.66 -0.67 0.00 0.00 178.83 180.09 2g2p n TYR 106 N -4.44 0.00 -3.55 2.96 4.01 -1.26 -1.95 117.16 112.93 2g2p n TYR 106 Ca 0.12 -0.88 -0.13 0.00 -0.16 0.00 0.00 57.90 56.84 2g2p n TYR 106 Cb 0.10 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 38.93 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 -2.60 -0.40 0.20 2.72 0.00 -1.22 -4.98 107.32 101.05 2g2p s GLY 107 Ca 0.28 1.72 -0.19 0.00 0.00 0.00 0.00 44.72 46.53 2g2p s GLY 107 CO 0.01 0.99 0.56 -2.52 0.00 0.00 0.00 173.10 172.14 2g2p s TYR 108 N -1.19 -0.19 0.02 1.90 -0.85 -1.26 -0.38 117.35 115.41 2g2p s TYR 108 Ca -0.05 -0.14 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 2g2p s TYR 108 Cb -0.00 0.46 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 2g2p s TYR 108 CO 0.05 -0.95 -0.08 -1.12 -1.52 0.00 0.00 175.55 171.93 2g2p s SER 109 N -2.86 0.91 0.07 -0.18 0.01 -0.45 -4.99 113.70 106.21 2g2p s SER 109 Ca 0.08 -0.36 -0.08 0.00 1.31 0.00 0.00 55.95 56.89 2g2p s SER 109 Cb -0.02 -0.03 -0.00 0.00 0.21 0.00 0.00 66.02 66.18 2g2p s SER 109 CO -0.03 -0.06 0.17 0.28 0.41 0.00 0.00 173.24 174.01 2g2p s THR 110 N -0.82 0.14 0.12 1.44 -1.32 -1.26 -0.84 115.64 113.10 2g2p s THR 110 Ca -0.04 -1.13 -0.26 0.00 -1.21 0.00 0.00 61.69 59.06 2g2p s THR 110 Cb -0.07 -1.20 0.07 0.00 -1.51 0.00 0.00 72.50 69.79 2g2p s THR 110 CO 0.00 -0.62 0.99 -0.72 -2.21 0.00 0.00 174.62 172.06 2g2p s TYR 111 N -3.43 -0.14 -0.35 9.09 -0.85 -1.25 -5.07 117.35 115.35 2g2p s TYR 111 Ca 0.02 -0.12 -0.24 0.00 -0.52 0.00 0.00 57.07 56.20 2g2p s TYR 111 Cb 0.03 0.62 0.01 0.00 0.38 0.00 0.00 41.96 43.00 2g2p s TYR 111 CO -0.09 -0.74 0.84 0.50 -1.52 0.00 0.00 175.55 174.54 2g2p s ARG 112 N -3.18 3.84 0.00 -3.49 3.52 -1.26 -3.87 118.95 114.51 2g2p s ARG 112 Ca 0.12 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2g2p s ARG 112 Cb -0.01 -3.78 0.00 0.00 -1.56 0.00 0.00 34.95 29.60 2g2p s ARG 112 CO 0.00 -0.84 0.00 0.41 -0.81 0.00 0.00 175.30 174.07 2g2p n GLY 113 N 4.38 0.09 0.76 8.12 0.00 0.32 -5.00 105.19 113.86 2g2p n GLY 113 Ca 0.05 -1.84 0.09 0.00 0.00 0.00 0.00 46.02 44.32 2g2p n GLY 113 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18