#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gal n HIS 5 N 0.00 1.26 -4.98 0.54 -0.00 -1.07 -4.70 115.22 106.27 2gal n HIS 5 Ca 0.00 0.87 -0.29 0.00 0.46 0.00 0.00 57.72 58.76 2gal n HIS 5 Cb 0.00 -1.68 -0.17 0.00 -0.12 0.00 0.00 29.99 28.02 2gal n HIS 5 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2gal s LYS 6 N 2.08 2.52 -0.16 1.57 1.02 -1.26 -1.29 119.74 124.23 2gal s LYS 6 Ca 0.79 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 56.08 2gal s LYS 6 Cb -1.12 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 2gal s LYS 6 CO 0.61 0.13 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.89 2gal s SER 7 N 0.44 2.84 0.26 2.83 0.01 -0.38 -4.99 113.70 114.72 2gal s SER 7 Ca -0.17 -0.55 -0.18 0.00 1.31 0.00 0.00 55.95 56.35 2gal s SER 7 Cb -0.17 -1.26 -0.09 0.00 0.21 0.00 0.00 66.02 64.72 2gal s SER 7 CO 0.07 -0.05 0.74 -0.55 0.41 0.00 0.00 173.24 173.86 2gal s SER 8 N 1.43 6.98 -0.66 2.44 0.15 -1.26 -0.72 113.70 122.06 2gal s SER 8 Ca 0.05 1.39 0.05 0.00 0.70 0.00 0.00 55.95 58.14 2gal s SER 8 Cb -0.13 -2.41 0.19 0.00 -1.71 0.00 0.00 66.02 61.96 2gal s SER 8 CO -0.11 -0.05 0.53 0.18 1.20 0.00 0.00 173.24 175.00 2gal n LEU 9 N 0.37 2.78 -4.71 3.45 4.77 -0.20 -4.94 117.00 118.52 2gal n LEU 9 Ca -0.00 -5.17 -0.42 0.00 -0.03 0.00 0.00 56.01 50.39 2gal n LEU 9 Cb 0.52 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 2gal n LEU 9 CO 0.42 1.84 0.94 -2.84 -1.33 0.00 0.00 177.39 176.43 2gal s PRO 10 N -1.53 4.39 0.00 3.23 0.02 -1.26 -1.70 135.00 138.15 2gal s PRO 10 Ca 0.29 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2gal s PRO 10 Cb 0.01 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.15 2gal s PRO 10 CO -0.14 -0.34 0.00 -0.85 -0.33 0.00 0.00 177.00 175.34 2gal n GLU 11 N 4.26 0.00 0.00 5.54 0.28 -1.26 -5.01 120.64 124.44 2gal n GLU 11 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2gal n GLU 11 Cb 0.45 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.42 2gal n GLU 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2gal n GLY 12 N -0.91 0.23 3.26 -1.84 0.00 -0.69 -4.88 105.19 100.36 2gal n GLY 12 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gal s ILE 13 N 0.00 1.27 0.27 -0.61 -4.36 -1.26 -4.98 121.20 111.54 2gal s ILE 13 Ca 0.00 -2.02 0.03 0.00 -0.26 0.00 0.00 60.65 58.40 2gal s ILE 13 Cb 0.00 -1.81 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 2gal s ILE 13 CO 0.00 -0.67 0.23 -0.13 0.24 0.00 0.00 174.94 174.61 2gal s ARG 14 N -3.53 1.52 0.10 0.37 0.52 -1.26 -4.55 118.95 112.11 2gal s ARG 14 Ca 0.16 -1.83 -0.35 0.00 -0.52 0.00 0.00 55.73 53.19 2gal s ARG 14 Cb 0.01 0.31 -0.14 0.00 0.52 0.00 0.00 34.95 35.64 2gal s ARG 14 CO 0.02 -0.55 1.57 -2.30 0.02 0.00 0.00 175.30 174.06 2gal n PRO 15 N -0.47 1.88 0.00 3.54 -0.02 -1.26 -0.92 135.00 137.76 2gal n PRO 15 Ca 0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2gal n PRO 15 Cb 0.64 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gal n GLY 16 N 3.36 0.51 3.73 -1.23 0.00 0.12 -4.95 105.19 106.72 2gal n GLY 16 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gal s THR 17 N -2.00 4.57 -0.09 2.61 2.01 -0.09 -4.92 115.64 117.73 2gal s THR 17 Ca 0.00 1.93 0.04 0.00 0.31 0.00 0.00 61.69 63.96 2gal s THR 17 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2gal s THR 17 CO 0.00 0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.37 2gal s VAL 18 N -0.05 1.77 -0.24 3.82 1.01 0.74 -1.48 120.40 125.96 2gal s VAL 18 Ca 0.44 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2gal s VAL 18 Cb -0.22 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2gal s VAL 18 CO 0.28 0.50 0.08 -0.22 0.00 0.00 0.00 175.10 175.73 2gal s LEU 19 N 0.42 3.54 -0.20 3.92 2.96 -0.15 -0.29 118.68 128.87 2gal s LEU 19 Ca -0.17 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2gal s LEU 19 Cb -0.17 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.58 2gal s LEU 19 CO 0.07 -0.00 -0.11 -0.60 -1.32 0.00 0.00 176.35 174.39 2gal s ARG 20 N 1.43 3.18 -0.10 1.98 3.52 0.22 -1.14 118.95 128.03 2gal s ARG 20 Ca 0.06 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2gal s ARG 20 Cb -0.15 -2.82 -0.00 0.00 -1.56 0.00 0.00 34.95 30.42 2gal s ARG 20 CO 0.04 -0.21 -0.22 0.42 -0.81 0.00 0.00 175.30 174.51 2gal s ILE 21 N 1.39 2.21 -0.02 4.11 1.01 -0.05 -0.98 121.20 128.87 2gal s ILE 21 Ca 0.05 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.78 2gal s ILE 21 Cb -0.14 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2gal s ILE 21 CO -0.08 0.55 -0.16 -0.13 0.00 0.00 0.00 174.94 175.13 2gal s ARG 22 N 0.34 1.39 0.00 2.79 0.52 -0.51 -0.28 118.95 123.21 2gal s ARG 22 Ca -0.18 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 2gal s ARG 22 Cb -0.18 -1.30 0.00 0.00 0.52 0.00 0.00 34.95 33.99 2gal s ARG 22 CO 0.08 0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.12 2gal n GLY 23 N 2.83 0.48 3.12 -3.53 0.00 -0.84 0.22 105.19 107.48 2gal n GLY 23 Ca -0.16 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 2gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gal s LEU 24 N 0.00 2.12 -0.47 0.99 0.20 0.73 0.24 118.68 122.48 2gal s LEU 24 Ca 0.00 -0.37 -0.23 0.00 0.69 0.00 0.00 54.13 54.22 2gal s LEU 24 Cb 0.00 -0.62 0.03 0.00 -0.43 0.00 0.00 46.19 45.17 2gal s LEU 24 CO 0.00 0.08 0.80 -0.69 -0.29 0.00 0.00 176.35 176.24 2gal s VAL 25 N -0.65 4.62 0.54 1.68 1.01 -0.06 -0.53 120.40 127.02 2gal s VAL 25 Ca 0.03 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 2gal s VAL 25 Cb -0.07 -4.36 -0.11 0.00 0.00 0.00 0.00 36.38 31.85 2gal s VAL 25 CO 0.01 -0.80 0.31 -0.81 0.00 0.00 0.00 175.10 173.81 2gal n PRO 26 N 6.80 0.34 -0.18 2.72 -0.04 -1.26 0.11 135.00 143.49 2gal n PRO 26 Ca 0.01 0.13 0.19 0.00 -0.04 0.00 0.00 63.50 63.80 2gal n PRO 26 Cb 0.48 -1.46 0.56 0.00 -0.04 0.00 0.00 33.50 33.03 2gal n PRO 26 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2gal h PRO 27 N 0.17 0.29 -1.07 0.54 0.13 -1.92 -2.15 132.00 127.99 2gal h PRO 27 Ca -0.44 -0.02 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2gal h PRO 27 Cb 1.42 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 32.08 2gal h PRO 27 CO 0.45 0.19 -0.42 0.09 -0.23 0.00 0.00 178.00 178.09 2gal n ASN 28 N -4.45 5.46 -4.75 1.44 3.02 -1.26 -4.61 115.26 110.10 2gal n ASN 28 Ca 0.16 -3.75 -0.40 0.00 -0.03 0.00 0.00 54.58 50.55 2gal n ASN 28 Cb 0.67 -0.51 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 2gal n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gal s ALA 29 N -3.65 3.41 -0.20 5.41 0.00 -0.81 -4.97 121.76 120.95 2gal s ALA 29 Ca 0.52 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 53.22 2gal s ALA 29 Cb 0.42 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 20.12 2gal s ALA 29 CO -0.06 -0.20 -0.27 0.45 0.00 0.00 0.00 175.76 175.69 2gal n SER 30 N 1.52 1.91 -3.54 0.00 2.88 -1.26 -4.49 113.62 110.63 2gal n SER 30 Ca 0.00 0.40 -0.08 0.00 -1.33 0.00 0.00 58.87 57.86 2gal n SER 30 Cb 0.45 -0.80 -0.03 0.00 -0.75 0.00 0.00 64.21 63.08 2gal n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gal s ARG 31 N -2.64 0.65 0.25 -1.46 1.70 -1.26 -0.56 118.95 115.62 2gal s ARG 31 Ca -0.28 -0.15 -0.03 0.00 -0.47 0.00 0.00 55.73 54.79 2gal s ARG 31 Cb 0.06 0.30 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2gal s ARG 31 CO 0.41 -0.27 0.29 -0.59 -1.08 0.00 0.00 175.30 174.07 2gal s PHE 32 N -2.47 1.00 0.09 5.89 -0.71 -1.02 -0.79 117.98 119.98 2gal s PHE 32 Ca 0.04 -1.23 -0.11 0.00 -1.04 0.00 0.00 56.93 54.60 2gal s PHE 32 Cb -0.01 -0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.50 2gal s PHE 32 CO -0.06 -0.83 0.25 -3.38 -1.34 0.00 0.00 175.22 169.86 2gal s HIS 33 N -3.88 0.03 -0.15 3.49 -3.43 0.10 -2.95 115.29 108.51 2gal s HIS 33 Ca 0.34 -0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 2gal s HIS 33 Cb 0.03 0.03 0.02 0.00 -1.43 0.00 0.00 32.58 31.24 2gal s HIS 33 CO 0.14 -0.56 -0.13 0.08 -2.00 0.00 0.00 174.74 172.27 2gal s VAL 34 N -3.59 1.50 -0.04 -5.38 1.01 -0.50 -1.44 120.40 111.96 2gal s VAL 34 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2gal s VAL 34 Cb 0.03 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2gal s VAL 34 CO -0.10 0.42 -0.13 0.20 0.00 0.00 0.00 175.10 175.49 2gal s ASN 35 N 1.51 4.14 -0.35 3.32 0.01 0.15 -1.63 114.94 122.09 2gal s ASN 35 Ca 0.04 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 2gal s ASN 35 Cb -0.13 -0.88 0.09 0.00 0.41 0.00 0.00 41.25 40.74 2gal s ASN 35 CO -0.10 0.33 0.09 -0.76 -1.51 0.00 0.00 177.10 175.14 2gal s LEU 36 N -0.90 4.66 0.16 0.60 1.43 -0.37 -0.49 118.68 123.78 2gal s LEU 36 Ca 0.13 -1.86 0.04 0.00 -1.03 0.00 0.00 54.13 51.40 2gal s LEU 36 Cb -0.11 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2gal s LEU 36 CO 0.02 -0.40 0.20 -0.76 0.23 0.00 0.00 176.35 175.64 2gal s LEU 37 N 1.08 4.03 -0.20 1.79 1.43 -0.15 -0.39 118.68 126.27 2gal s LEU 37 Ca 0.05 -0.01 0.12 0.00 -1.03 0.00 0.00 54.13 53.26 2gal s LEU 37 Cb -0.21 -2.62 0.71 0.00 0.03 0.00 0.00 46.19 44.10 2gal s LEU 37 CO -0.05 0.06 1.58 0.00 0.23 0.00 0.00 176.35 178.17 2gal s GLY 39 N -0.68 0.00 0.15 0.00 0.00 -1.26 -4.70 107.32 100.83 2gal s GLY 39 Ca 0.47 2.55 -0.02 0.00 0.00 0.00 0.00 44.72 47.72 2gal s GLY 39 CO 0.14 0.96 1.35 0.83 0.00 0.00 0.00 173.10 176.39 2gal h GLU 40 N 2.03 0.37 -6.91 2.90 4.39 -1.95 -3.44 114.58 111.97 2gal h GLU 40 Ca -0.06 -0.37 -0.56 0.00 0.34 0.00 0.00 59.36 58.71 2gal h GLU 40 Cb 1.17 0.10 0.14 0.00 -0.10 0.00 0.00 28.75 30.06 2gal h GLU 40 CO 0.21 1.04 0.40 -0.85 -1.16 0.00 0.00 179.01 178.65 2gal n GLU 41 N -3.75 1.45 -2.12 2.33 0.00 -1.26 -4.93 120.64 112.36 2gal n GLU 41 Ca -0.05 0.53 -0.36 0.00 0.00 0.00 0.00 57.16 57.28 2gal n GLU 41 Cb 0.79 -2.37 0.01 0.00 0.00 0.00 0.00 31.44 29.88 2gal n GLU 41 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 2gal s GLN 42 N -2.66 3.32 0.00 3.44 -2.07 -1.26 -2.62 119.66 117.80 2gal s GLN 42 Ca 0.71 1.81 0.00 0.00 -1.82 0.00 0.00 55.36 56.06 2gal s GLN 42 Cb -0.45 -2.13 0.00 0.00 -1.09 0.00 0.00 33.01 29.34 2gal s GLN 42 CO 0.50 -0.92 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 2gal n GLY 43 N 0.43 0.72 3.67 2.60 0.00 -1.26 -5.01 105.19 106.34 2gal n GLY 43 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2gal n GLY 43 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2gal n SER 44 N -0.02 0.77 -4.75 1.61 2.88 -1.08 -4.55 113.62 108.47 2gal n SER 44 Ca 0.00 0.56 -0.38 0.00 -1.33 0.00 0.00 58.87 57.72 2gal n SER 44 Cb 0.01 -1.48 0.03 0.00 -0.75 0.00 0.00 64.21 62.02 2gal n SER 44 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2gal s ASP 45 N -2.14 5.46 -0.21 -3.46 1.01 -1.26 -4.83 116.67 111.24 2gal s ASP 45 Ca 0.72 2.73 0.00 0.00 0.71 0.00 0.00 52.55 56.71 2gal s ASP 45 Cb -0.28 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.04 2gal s ASP 45 CO 0.52 -1.44 -0.14 0.00 0.21 0.00 0.00 175.17 174.33 2gal s ALA 46 N -1.32 2.51 0.23 5.23 0.00 -0.26 -1.03 121.76 127.12 2gal s ALA 46 Ca 0.69 -1.35 0.18 0.00 0.00 0.00 0.00 51.96 51.47 2gal s ALA 46 Cb -0.39 -1.42 0.72 0.00 0.00 0.00 0.00 23.12 22.03 2gal s ALA 46 CO 0.47 -0.60 1.77 0.00 0.00 0.00 0.00 175.76 177.40 2gal h ALA 47 N 7.95 1.08 -2.34 0.00 0.00 -1.01 -1.92 119.26 123.02 2gal h ALA 47 Ca -0.38 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 2gal h ALA 47 Cb 1.12 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.62 2gal h ALA 47 CO 0.59 0.47 -0.09 -1.17 0.00 0.00 0.00 179.25 179.06 2gal s LEU 48 N -7.32 -0.33 -0.22 0.00 2.96 -1.18 -4.72 118.68 107.87 2gal s LEU 48 Ca -0.01 1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 55.07 2gal s LEU 48 Cb 0.12 1.92 0.06 0.00 0.50 0.00 0.00 46.19 48.79 2gal s LEU 48 CO 0.69 -0.21 -0.00 -2.28 -1.32 0.00 0.00 176.35 173.23 2gal s HIS 49 N 0.85 1.69 -0.31 5.38 5.65 0.70 -1.23 115.29 128.02 2gal s HIS 49 Ca -0.04 -1.31 -0.10 0.00 0.25 0.00 0.00 55.06 53.86 2gal s HIS 49 Cb -0.05 -1.31 -0.00 0.00 -1.18 0.00 0.00 32.58 30.03 2gal s HIS 49 CO -0.07 -0.70 0.15 0.12 -0.65 0.00 0.00 174.74 173.60 2gal s PHE 50 N 1.63 3.18 -0.46 3.88 5.36 -0.65 -1.46 117.98 129.47 2gal s PHE 50 Ca -0.03 -0.61 0.03 0.00 -0.96 0.00 0.00 56.93 55.36 2gal s PHE 50 Cb -0.18 -2.36 0.15 0.00 -0.34 0.00 0.00 43.02 40.29 2gal s PHE 50 CO -0.08 -0.47 0.30 1.21 -1.46 0.00 0.00 175.22 174.72 2gal s ASN 51 N 1.61 3.24 0.14 6.13 3.04 0.96 -1.41 114.94 128.64 2gal s ASN 51 Ca 0.04 -2.86 -0.31 0.00 0.04 0.00 0.00 52.86 49.77 2gal s ASN 51 Cb -0.17 -0.91 -0.09 0.00 -1.54 0.00 0.00 41.25 38.54 2gal s ASN 51 CO 0.06 -0.22 1.44 -2.84 -3.04 0.00 0.00 177.10 172.50 2gal s PRO 52 N 0.10 4.29 -0.39 0.43 0.02 -1.15 -1.87 135.00 136.43 2gal s PRO 52 Ca 0.22 2.17 0.04 0.00 0.02 0.00 0.00 61.00 63.45 2gal s PRO 52 Cb -0.15 -3.21 0.11 0.00 0.02 0.00 0.00 34.50 31.27 2gal s PRO 52 CO -0.07 -0.47 0.11 1.03 -0.33 0.00 0.00 177.00 177.27 2gal s ARG 53 N 0.92 1.58 0.23 5.54 0.52 0.28 -2.43 118.95 125.59 2gal s ARG 53 Ca 0.65 -2.04 0.03 0.00 -0.52 0.00 0.00 55.73 53.85 2gal s ARG 53 Cb -0.39 -3.19 0.23 0.00 0.52 0.00 0.00 34.95 32.13 2gal s ARG 53 CO 0.32 -0.99 1.56 -0.07 0.02 0.00 0.00 175.30 176.14 2gal h LEU 54 N 7.33 0.32 0.18 2.53 -0.00 -1.10 0.01 115.31 124.59 2gal h LEU 54 Ca -0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2gal h LEU 54 Cb 0.99 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.55 2gal h LEU 54 CO 0.56 0.84 -0.09 -2.24 -0.00 0.00 0.00 178.44 177.51 2gal h ASP 55 N 0.21 -0.21 -0.35 -0.43 2.03 -1.58 -3.14 116.42 112.95 2gal h ASP 55 Ca -0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.20 2gal h ASP 55 Cb 1.10 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 2gal h ASP 55 CO 0.09 -0.04 0.00 0.35 -1.03 0.00 0.00 179.24 178.62 2gal n THR 56 N -5.14 0.46 -3.55 1.15 -2.24 -1.23 -4.99 114.28 98.74 2gal n THR 56 Ca -0.09 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 60.93 2gal n THR 56 Cb 0.16 0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 2gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2gal n SER 57 N 0.79 -5.84 -3.59 3.42 7.64 -0.09 -5.02 113.62 110.92 2gal n SER 57 Ca 0.16 -0.76 -0.12 0.00 1.01 0.00 0.00 58.87 59.17 2gal n SER 57 Cb 0.41 -3.38 -0.06 0.00 -1.01 0.00 0.00 64.21 60.17 2gal n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2gal s GLU 58 N -4.91 0.69 -0.25 1.43 -1.05 -0.70 -4.73 118.70 109.19 2gal s GLU 58 Ca 0.21 0.44 -0.05 0.00 -0.15 0.00 0.00 54.97 55.42 2gal s GLU 58 Cb -0.08 0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 33.93 2gal s GLU 58 CO 0.84 -0.16 0.01 0.08 0.95 0.00 0.00 175.26 176.98 2gal s VAL 59 N -0.47 3.69 -0.11 1.83 1.01 -1.26 -0.56 120.40 124.53 2gal s VAL 59 Ca -0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 2gal s VAL 59 Cb -0.03 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 2gal s VAL 59 CO 0.01 0.31 0.06 -0.69 0.00 0.00 0.00 175.10 174.78 2gal s VAL 60 N 1.50 4.83 -0.01 2.92 1.01 -0.78 -2.15 120.40 127.71 2gal s VAL 60 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2gal s VAL 60 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2gal s VAL 60 CO -0.00 0.59 -0.26 -0.36 0.00 0.00 0.00 175.10 175.07 2gal s PHE 61 N -0.75 2.32 0.23 5.22 0.40 0.16 -0.03 117.98 125.53 2gal s PHE 61 Ca 0.12 -0.43 -0.22 0.00 -0.60 0.00 0.00 56.93 55.80 2gal s PHE 61 Cb -0.12 -1.48 0.05 0.00 0.51 0.00 0.00 43.02 41.99 2gal s PHE 61 CO 0.03 -0.02 0.89 1.21 0.70 0.00 0.00 175.22 178.02 2gal s ASN 62 N -0.68 -0.14 0.24 1.36 3.84 -0.53 -0.74 114.94 118.29 2gal s ASN 62 Ca 0.10 -0.61 0.04 0.00 0.21 0.00 0.00 52.86 52.60 2gal s ASN 62 Cb -0.10 0.61 -0.05 0.00 -0.55 0.00 0.00 41.25 41.16 2gal s ASN 62 CO -0.01 -1.15 -0.02 -0.94 -2.79 0.00 0.00 177.10 172.19 2gal s SER 63 N -3.03 2.11 -0.06 -4.21 1.04 -1.26 -0.22 113.70 108.08 2gal s SER 63 Ca 0.14 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.35 2gal s SER 63 Cb -0.03 -0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.07 2gal s SER 63 CO 0.05 -0.46 0.01 -0.75 0.98 0.00 0.00 173.24 173.08 2gal s LYS 64 N -3.82 0.42 -0.06 4.02 2.20 -0.72 -1.06 119.74 120.72 2gal s LYS 64 Ca 0.28 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 56.09 2gal s LYS 64 Cb 0.05 -0.79 0.00 0.00 -1.51 0.00 0.00 37.83 35.58 2gal s LYS 64 CO 0.09 -0.27 -0.18 -2.00 -0.36 0.00 0.00 175.35 172.63 2gal s GLU 65 N 1.83 2.06 -1.61 4.03 2.12 -0.64 -1.10 118.70 125.38 2gal s GLU 65 Ca 0.02 -0.63 -0.12 0.00 0.36 0.00 0.00 54.97 54.60 2gal s GLU 65 Cb -0.12 -1.70 0.10 0.00 0.26 0.00 0.00 34.13 32.67 2gal s GLU 65 CO -0.04 0.18 0.63 1.04 -0.54 0.00 0.00 175.26 176.52 2gal n GLN 66 N 3.40 -3.03 0.00 4.30 1.13 -1.26 -1.30 117.38 120.62 2gal n GLN 66 Ca -0.20 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2gal n GLN 66 Cb 0.53 -4.83 0.00 0.00 0.11 0.00 0.00 30.24 26.05 2gal n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2gal n GLY 67 N -1.65 2.83 3.56 1.08 0.00 -1.26 -5.02 105.19 104.72 2gal n GLY 67 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2gal n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gal s SER 68 N -1.69 4.48 0.63 1.61 1.04 -0.42 -5.10 113.70 114.26 2gal s SER 68 Ca 0.00 -0.08 -0.17 0.00 0.48 0.00 0.00 55.95 56.18 2gal s SER 68 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.03 2gal s SER 68 CO 0.00 0.35 1.18 0.26 0.98 0.00 0.00 173.24 176.02 2gal s TRP 69 N -0.80 2.38 0.00 5.02 0.52 -1.26 -1.63 118.94 123.17 2gal s TRP 69 Ca 0.12 1.54 0.00 0.00 0.02 0.00 0.00 56.10 57.79 2gal s TRP 69 Cb -0.11 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.80 2gal s TRP 69 CO 0.02 -2.15 0.00 0.41 0.02 0.00 0.00 176.95 175.24 2gal n GLY 70 N 0.29 1.50 3.69 0.98 0.00 -0.22 -4.88 105.19 106.55 2gal n GLY 70 Ca 0.13 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2gal s ARG 71 N 2.71 4.42 0.36 1.61 3.52 -1.26 -4.86 118.95 125.45 2gal s ARG 71 Ca 0.00 1.41 -0.27 0.00 -0.13 0.00 0.00 55.73 56.74 2gal s ARG 71 Cb 0.00 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.76 2gal s ARG 71 CO 0.00 -0.32 1.21 -1.21 -0.81 0.00 0.00 175.30 174.17 2gal s GLU 72 N 2.01 4.21 0.05 5.12 2.02 -1.26 -4.75 118.70 126.09 2gal s GLU 72 Ca 0.49 1.96 0.07 0.00 0.02 0.00 0.00 54.97 57.51 2gal s GLU 72 Cb -0.19 -2.86 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 2gal s GLU 72 CO 0.18 -0.22 -0.20 -1.21 0.02 0.00 0.00 175.26 173.83 2gal s GLU 73 N -2.03 1.31 -0.00 1.61 2.02 0.09 -4.97 118.70 116.72 2gal s GLU 73 Ca 0.53 -0.95 0.06 0.00 0.02 0.00 0.00 54.97 54.63 2gal s GLU 73 Cb -0.34 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 2gal s GLU 73 CO 0.44 0.36 -0.18 1.03 0.02 0.00 0.00 175.26 176.92 2gal s ARG 74 N -1.25 1.45 0.69 1.61 0.52 -1.26 0.39 118.95 121.09 2gal s ARG 74 Ca 0.07 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.52 2gal s ARG 74 Cb -0.09 -1.42 0.06 0.00 0.52 0.00 0.00 34.95 34.01 2gal s ARG 74 CO 0.02 0.39 1.00 0.20 0.02 0.00 0.00 175.30 176.92 2gal s GLY 75 N -0.56 1.69 -0.73 -3.53 0.00 -0.92 -4.98 107.32 98.29 2gal s GLY 75 Ca 0.07 -0.92 -0.27 0.00 0.00 0.00 0.00 44.72 43.60 2gal s GLY 75 CO -0.00 -0.53 1.33 2.56 0.00 0.00 0.00 173.10 176.45 2gal s PRO 76 N -5.21 3.15 1.18 2.90 0.04 -1.26 -4.65 135.00 131.15 2gal s PRO 76 Ca 0.59 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2gal s PRO 76 Cb -0.11 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2gal s PRO 76 CO 0.44 -2.19 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2gal n GLY 77 N 5.40 -1.90 3.08 0.56 0.00 -1.26 -4.79 105.19 106.28 2gal n GLY 77 Ca 0.04 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 2gal n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gal s VAL 78 N 0.00 2.22 -0.87 1.61 1.01 -1.26 -4.15 120.40 118.96 2gal s VAL 78 Ca 0.00 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.39 2gal s VAL 78 Cb 0.00 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.23 2gal s VAL 78 CO 0.00 -0.03 0.75 -0.81 0.00 0.00 0.00 175.10 175.01 2gal n PRO 79 N 4.44 1.76 -4.50 2.72 -0.04 -1.26 -4.83 135.00 133.30 2gal n PRO 79 Ca -0.14 -0.62 -0.29 0.00 -0.04 0.00 0.00 63.50 62.42 2gal n PRO 79 Cb 0.42 -1.64 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 2gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2gal s PHE 80 N -1.35 2.23 0.01 0.54 0.08 -1.26 -4.97 117.98 113.26 2gal s PHE 80 Ca 0.11 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.79 2gal s PHE 80 Cb 0.08 -1.24 -0.01 0.00 -0.57 0.00 0.00 43.02 41.28 2gal s PHE 80 CO 0.03 0.27 -0.07 -0.65 -0.10 0.00 0.00 175.22 174.70 2gal s GLN 81 N -1.83 0.51 0.44 0.44 -0.21 -1.26 -5.05 119.66 112.70 2gal s GLN 81 Ca 0.12 -0.34 -0.25 0.00 0.02 0.00 0.00 55.36 54.92 2gal s GLN 81 Cb -0.10 -0.45 -0.08 0.00 1.00 0.00 0.00 33.01 33.38 2gal s GLN 81 CO 0.05 0.12 1.28 1.03 -2.12 0.00 0.00 175.29 175.65 2gal s ARG 82 N -0.46 3.78 0.00 2.91 0.52 -1.26 -2.27 118.95 122.17 2gal s ARG 82 Ca -0.00 2.08 0.00 0.00 -0.52 0.00 0.00 55.73 57.29 2gal s ARG 82 Cb -0.04 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.84 2gal s ARG 82 CO -0.00 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.11 2gal n GLY 83 N 0.63 0.66 3.63 -3.53 0.00 0.30 -4.84 105.19 102.03 2gal n GLY 83 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gal s GLN 84 N -0.30 2.59 0.52 1.61 -1.52 -0.96 -4.89 119.66 116.72 2gal s GLN 84 Ca 0.00 -0.73 -0.09 0.00 -1.95 0.00 0.00 55.36 52.59 2gal s GLN 84 Cb 0.00 -2.54 -0.05 0.00 -0.22 0.00 0.00 33.01 30.20 2gal s GLN 84 CO 0.00 0.59 0.89 -1.25 -0.25 0.00 0.00 175.29 175.28 2gal s PRO 85 N -1.64 3.64 0.13 2.91 0.04 -1.26 -0.88 135.00 137.94 2gal s PRO 85 Ca 0.19 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 2gal s PRO 85 Cb -0.11 -2.24 0.02 0.00 0.04 0.00 0.00 34.50 32.21 2gal s PRO 85 CO 0.10 -0.32 0.36 -0.59 0.04 0.00 0.00 177.00 176.59 2gal s PHE 86 N -2.84 -0.08 -0.07 0.56 -0.12 0.14 -4.91 117.98 110.66 2gal s PHE 86 Ca 0.52 -0.26 -0.00 0.00 -0.05 0.00 0.00 56.93 57.13 2gal s PHE 86 Cb -0.11 0.18 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 2gal s PHE 86 CO 0.45 -0.69 -0.03 -2.00 -0.05 0.00 0.00 175.22 172.90 2gal s GLU 87 N -3.83 0.88 -0.03 1.99 2.12 -1.26 -1.98 118.70 116.59 2gal s GLU 87 Ca 0.05 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.41 2gal s GLU 87 Cb 0.02 -1.06 -0.02 0.00 0.26 0.00 0.00 34.13 33.34 2gal s GLU 87 CO -0.10 -0.22 -0.26 0.08 -0.54 0.00 0.00 175.26 174.22 2gal s VAL 88 N 1.56 2.08 -0.13 3.70 1.01 0.62 -2.43 120.40 126.81 2gal s VAL 88 Ca -0.01 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2gal s VAL 88 Cb -0.13 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 2gal s VAL 88 CO -0.04 0.58 -0.19 -0.76 0.00 0.00 0.00 175.10 174.69 2gal s LEU 89 N -0.55 2.33 -0.29 3.92 1.43 0.23 -0.87 118.68 124.88 2gal s LEU 89 Ca 0.08 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 2gal s LEU 89 Cb -0.11 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2gal s LEU 89 CO -0.00 0.12 0.04 -0.63 0.23 0.00 0.00 176.35 176.10 2gal s ILE 90 N 0.62 3.50 -0.17 -0.59 -1.09 -0.29 -0.32 121.20 122.85 2gal s ILE 90 Ca -0.10 -0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 57.29 2gal s ILE 90 Cb -0.16 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.82 2gal s ILE 90 CO 0.03 0.02 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.10 2gal s ILE 91 N 1.39 3.88 -0.15 2.92 1.01 0.55 -0.98 121.20 129.82 2gal s ILE 91 Ca -0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.12 2gal s ILE 91 Cb -0.18 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2gal s ILE 91 CO 0.00 0.48 0.42 0.00 0.00 0.00 0.00 174.94 175.84 2gal s ALA 92 N 0.54 3.52 0.05 9.38 0.00 -0.55 -0.23 121.76 134.47 2gal s ALA 92 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2gal s ALA 92 Cb -0.14 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.38 2gal s ALA 92 CO 0.03 -0.07 0.01 -1.13 0.00 0.00 0.00 175.76 174.60 2gal n SER 93 N 3.89 1.40 0.16 0.00 3.41 -0.38 0.12 113.62 122.22 2gal n SER 93 Ca -0.08 -1.25 0.01 0.00 -0.26 0.00 0.00 58.87 57.29 2gal n SER 93 Cb 0.51 0.09 0.24 0.00 -0.26 0.00 0.00 64.21 64.80 2gal n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gal h ASP 94 N 0.17 0.00 -0.01 4.04 3.32 -1.96 -3.32 116.42 118.67 2gal h ASP 94 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2gal h ASP 94 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2gal h ASP 94 CO 0.07 0.52 -0.43 -0.90 -1.72 0.00 0.00 179.24 176.78 2gal n ASP 95 N -3.79 1.45 0.00 6.45 5.68 -1.26 -4.94 116.55 120.14 2gal n ASP 95 Ca -0.01 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 2gal n ASP 95 Cb 0.55 0.59 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 2gal n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2gal n GLY 96 N 1.21 -1.00 3.47 6.12 0.00 -1.25 -2.10 105.19 111.65 2gal n GLY 96 Ca 0.06 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 2gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gal s PHE 97 N -3.00 3.00 -0.24 1.61 0.08 0.12 -1.24 117.98 118.31 2gal s PHE 97 Ca 0.00 -0.37 -0.12 0.00 0.12 0.00 0.00 56.93 56.56 2gal s PHE 97 Cb 0.00 -1.96 -0.05 0.00 -0.57 0.00 0.00 43.02 40.44 2gal s PHE 97 CO 0.00 -0.09 0.23 0.15 -0.10 0.00 0.00 175.22 175.42 2gal s LYS 98 N 0.46 4.08 -0.25 0.44 1.02 0.68 -0.52 119.74 125.65 2gal s LYS 98 Ca -0.04 -0.14 -0.09 0.00 0.02 0.00 0.00 55.97 55.72 2gal s LYS 98 Cb -0.14 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.57 2gal s LYS 98 CO 0.03 -0.01 0.13 0.00 -0.92 0.00 0.00 175.35 174.58 2gal s ALA 99 N 1.25 3.42 -0.14 5.17 0.00 0.05 -0.33 121.76 131.19 2gal s ALA 99 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2gal s ALA 99 Cb -0.14 -2.26 -0.00 0.00 0.00 0.00 0.00 23.12 20.71 2gal s ALA 99 CO 0.06 -0.36 -0.17 0.08 0.00 0.00 0.00 175.76 175.37 2gal s VAL 100 N 1.39 2.59 -0.15 0.00 1.01 0.56 0.07 120.40 125.88 2gal s VAL 100 Ca 0.06 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2gal s VAL 100 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2gal s VAL 100 CO 0.06 0.53 -0.18 -0.69 0.00 0.00 0.00 175.10 174.82 2gal s VAL 101 N 0.61 1.87 0.00 2.92 1.01 -0.63 -0.60 120.40 125.58 2gal s VAL 101 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2gal s VAL 101 Cb -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2gal s VAL 101 CO 0.03 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2gal n GLY 102 N 4.45 2.46 1.62 4.51 0.00 -1.02 -2.59 105.19 114.63 2gal n GLY 102 Ca -0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 2gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gal n ASP 103 N 6.71 4.29 -3.78 1.61 9.92 -1.26 -4.98 116.55 129.05 2gal n ASP 103 Ca 0.00 -3.26 -0.13 0.00 -0.53 0.00 0.00 54.79 50.87 2gal n ASP 103 Cb 0.00 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 39.71 2gal n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2gal s ALA 104 N -3.00 -0.68 -0.06 2.24 0.00 -1.07 -5.11 121.76 114.09 2gal s ALA 104 Ca 0.51 0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 2gal s ALA 104 Cb 0.41 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2gal s ALA 104 CO 0.10 -0.26 1.47 -1.14 0.00 0.00 0.00 175.76 175.93 2gal s GLN 105 N -1.41 4.23 -0.17 0.00 2.00 -1.26 -1.60 119.66 121.45 2gal s GLN 105 Ca -0.13 1.98 -0.09 0.00 -2.00 0.00 0.00 55.36 55.11 2gal s GLN 105 Cb -0.05 -3.78 -0.22 0.00 0.80 0.00 0.00 33.01 29.76 2gal s GLN 105 CO 0.03 -0.72 0.18 0.98 -0.50 0.00 0.00 175.29 175.27 2gal n TYR 106 N 6.36 0.91 -3.51 1.67 9.36 0.11 -4.92 117.16 127.14 2gal n TYR 106 Ca 0.15 0.24 -0.14 0.00 3.32 0.00 0.00 57.90 61.47 2gal n TYR 106 Cb 0.44 -1.11 -0.04 0.00 -0.63 0.00 0.00 39.34 37.99 2gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2gal s HIS 107 N -2.51 -0.52 -0.26 2.98 5.04 -1.10 -4.53 115.29 114.39 2gal s HIS 107 Ca -0.27 0.71 0.01 0.00 -1.54 0.00 0.00 55.06 53.96 2gal s HIS 107 Cb 0.07 0.47 0.05 0.00 0.04 0.00 0.00 32.58 33.21 2gal s HIS 107 CO 0.68 -0.58 -0.08 -1.58 -2.34 0.00 0.00 174.74 170.84 2gal s HIS 108 N -1.99 3.20 -0.41 3.88 2.46 -1.26 -0.77 115.29 120.40 2gal s HIS 108 Ca -0.04 -2.02 -0.15 0.00 0.47 0.00 0.00 55.06 53.31 2gal s HIS 108 Cb -0.00 -2.00 0.02 0.00 -0.13 0.00 0.00 32.58 30.46 2gal s HIS 108 CO 0.00 -0.83 0.32 0.12 -2.47 0.00 0.00 174.74 171.89 2gal s PHE 109 N 1.19 3.23 0.37 3.88 5.36 0.33 -4.92 117.98 127.41 2gal s PHE 109 Ca -0.05 -0.52 -0.26 0.00 -0.96 0.00 0.00 56.93 55.13 2gal s PHE 109 Cb -0.19 -2.64 -0.09 0.00 -0.34 0.00 0.00 43.02 39.76 2gal s PHE 109 CO -0.04 -0.60 1.15 1.03 -1.46 0.00 0.00 175.22 175.30 2gal s ARG 110 N 1.77 4.22 0.21 10.12 0.52 -1.26 0.13 118.95 134.66 2gal s ARG 110 Ca 0.06 1.83 -0.32 0.00 -0.52 0.00 0.00 55.73 56.78 2gal s ARG 110 Cb -0.19 -2.80 -0.14 0.00 0.52 0.00 0.00 34.95 32.34 2gal s ARG 110 CO 0.11 -0.17 1.48 0.72 0.02 0.00 0.00 175.30 177.45 2gal n HIS 111 N 0.36 2.22 -0.04 -0.53 8.25 -0.89 -4.88 115.22 119.71 2gal n HIS 111 Ca 0.03 0.37 -0.05 0.00 -0.26 0.00 0.00 57.72 57.81 2gal n HIS 111 Cb 0.46 -2.49 -0.04 0.00 1.12 0.00 0.00 29.99 29.04 2gal n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gal n ARG 112 N 2.57 0.94 -4.31 -0.41 1.74 -1.26 -5.02 116.66 110.91 2gal n ARG 112 Ca 0.14 0.03 -0.23 0.00 -0.77 0.00 0.00 57.85 57.02 2gal n ARG 112 Cb 0.30 -1.16 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 2gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2gal s LEU 113 N -5.20 3.12 0.10 0.55 1.43 -1.26 -5.08 118.68 112.34 2gal s LEU 113 Ca -0.09 -0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 52.03 2gal s LEU 113 Cb 0.03 -1.66 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 2gal s LEU 113 CO 0.20 0.01 1.69 -2.84 0.23 0.00 0.00 176.35 175.65 2gal s PRO 114 N -3.58 4.18 0.43 1.29 0.02 -1.26 -4.87 135.00 131.20 2gal s PRO 114 Ca 0.31 2.42 0.19 0.00 0.02 0.00 0.00 61.00 63.93 2gal s PRO 114 Cb -0.06 -3.52 1.12 0.00 0.02 0.00 0.00 34.50 32.05 2gal s PRO 114 CO 0.19 -0.75 1.85 1.25 -0.33 0.00 0.00 177.00 179.21 2gal h LEU 115 N 8.29 0.38 -0.29 -5.54 6.46 -1.98 -0.26 115.31 122.37 2gal h LEU 115 Ca -0.44 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2gal h LEU 115 Cb 1.21 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 2gal h LEU 115 CO 0.93 0.14 0.00 0.00 -0.62 0.00 0.00 178.44 178.90 2gal n ALA 116 N -2.53 1.51 1.16 1.25 0.00 -1.26 -2.16 120.51 118.48 2gal n ALA 116 Ca 0.20 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.78 2gal n ALA 116 Cb 0.73 -1.24 0.39 0.00 0.00 0.00 0.00 19.45 19.33 2gal n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2gal n ARG 117 N -1.75 0.42 -2.11 0.00 1.74 -0.11 -4.83 116.66 110.03 2gal n ARG 117 Ca 0.02 -0.21 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 2gal n ARG 117 Cb 0.15 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2gal n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2gal s VAL 118 N -2.73 3.75 0.00 1.55 1.01 -0.92 -4.06 120.40 119.00 2gal s VAL 118 Ca 0.19 0.90 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2gal s VAL 118 Cb 0.19 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2gal s VAL 118 CO 0.58 -0.10 0.00 0.54 0.00 0.00 0.00 175.10 176.12 2gal n ARG 119 N 7.05 0.52 -3.80 2.72 5.12 0.37 -4.05 116.66 124.59 2gal n ARG 119 Ca 0.17 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.96 2gal n ARG 119 Cb 0.43 -0.97 -0.09 0.00 -1.16 0.00 0.00 32.46 30.68 2gal n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2gal s LEU 120 N -2.82 1.12 -0.07 0.55 2.96 -0.58 -1.04 118.68 118.79 2gal s LEU 120 Ca 0.00 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2gal s LEU 120 Cb 0.00 1.05 -0.02 0.00 0.50 0.00 0.00 46.19 47.72 2gal s LEU 120 CO 0.00 -0.43 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.78 2gal s VAL 121 N -1.40 3.09 -0.02 1.68 1.01 0.10 -0.98 120.40 123.88 2gal s VAL 121 Ca -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2gal s VAL 121 Cb -0.06 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.11 2gal s VAL 121 CO 0.03 0.57 -0.00 -0.70 0.00 0.00 0.00 175.10 175.00 2gal s GLU 122 N -0.46 0.23 -0.15 2.72 2.12 0.36 -1.24 118.70 122.28 2gal s GLU 122 Ca 0.06 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.44 2gal s GLU 122 Cb -0.12 -0.37 0.02 0.00 0.26 0.00 0.00 34.13 33.92 2gal s GLU 122 CO 0.02 -0.09 -0.15 0.08 -0.54 0.00 0.00 175.26 174.58 2gal s VAL 123 N 0.74 1.64 0.23 3.70 1.01 -0.41 0.34 120.40 127.64 2gal s VAL 123 Ca -0.07 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.25 2gal s VAL 123 Cb -0.10 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2gal s VAL 123 CO -0.01 0.47 0.25 0.61 0.00 0.00 0.00 175.10 176.42 2gal n GLY 124 N 4.69 2.90 1.86 4.51 0.00 -0.52 -2.60 105.19 116.03 2gal n GLY 124 Ca -0.18 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.16 2gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gal n GLY 125 N -0.40 -1.81 3.53 -0.02 0.00 -1.26 -0.72 105.19 104.50 2gal n GLY 125 Ca 0.03 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 2gal n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gal s ASP 126 N -4.00 6.92 -0.03 1.61 1.01 0.03 -4.92 116.67 117.29 2gal s ASP 126 Ca 0.00 -2.62 -0.08 0.00 0.71 0.00 0.00 52.55 50.56 2gal s ASP 126 Cb 0.00 -2.50 0.01 0.00 1.01 0.00 0.00 42.92 41.44 2gal s ASP 126 CO 0.00 -1.01 0.18 0.54 0.21 0.00 0.00 175.17 175.09 2gal s VAL 127 N 3.13 0.04 -0.60 -1.27 0.11 -1.26 -4.40 120.40 116.16 2gal s VAL 127 Ca 0.48 -0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 2gal s VAL 127 Cb 0.01 -0.38 0.15 0.00 -1.53 0.00 0.00 36.38 34.63 2gal s VAL 127 CO 0.04 -0.20 0.53 -1.10 -3.33 0.00 0.00 175.10 171.03 2gal s GLN 128 N -0.72 3.00 0.06 1.54 -1.52 0.31 -4.95 119.66 117.37 2gal s GLN 128 Ca -0.08 -1.96 -0.30 0.00 -1.95 0.00 0.00 55.36 51.07 2gal s GLN 128 Cb -0.05 -4.21 -0.05 0.00 -0.22 0.00 0.00 33.01 28.48 2gal s GLN 128 CO 0.01 -1.28 1.15 -1.17 -0.25 0.00 0.00 175.29 173.76 2gal s LEU 129 N 1.09 4.38 -0.21 2.90 2.96 -1.26 -0.20 118.68 128.34 2gal s LEU 129 Ca 0.08 1.96 -0.16 0.00 -0.22 0.00 0.00 54.13 55.79 2gal s LEU 129 Cb -0.24 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.79 2gal s LEU 129 CO -0.01 -0.42 -0.27 -0.67 -1.32 0.00 0.00 176.35 173.66 2gal n ASP 130 N 3.83 1.92 -3.54 3.68 2.03 0.13 -4.94 116.55 119.67 2gal n ASP 130 Ca 0.08 0.39 -0.13 0.00 0.52 0.00 0.00 54.79 55.66 2gal n ASP 130 Cb 0.47 -0.81 -0.04 0.00 -0.72 0.00 0.00 41.12 40.02 2gal n ASP 130 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2gal s SER 131 N -6.45 -0.44 -0.22 1.67 1.04 -0.92 -5.00 113.70 103.38 2gal s SER 131 Ca -0.30 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 2gal s SER 131 Cb 0.07 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.79 2gal s SER 131 CO 0.43 -0.83 0.08 -0.69 0.98 0.00 0.00 173.24 173.20 2gal s VAL 132 N -3.19 0.28 -0.03 5.02 1.01 -1.26 -1.42 120.40 120.82 2gal s VAL 132 Ca -0.01 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.43 2gal s VAL 132 Cb -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2gal s VAL 132 CO -0.08 -0.39 -0.18 -0.13 0.00 0.00 0.00 175.10 174.33 2gal s ARG 133 N 1.95 2.34 -0.20 2.72 1.81 -0.15 -4.97 118.95 122.46 2gal s ARG 133 Ca 0.03 -0.80 -0.02 0.00 -1.72 0.00 0.00 55.73 53.23 2gal s ARG 133 Cb -0.17 -2.27 -0.00 0.00 -0.45 0.00 0.00 34.95 32.06 2gal s ARG 133 CO -0.16 0.60 -0.10 0.42 -0.68 0.00 0.00 175.30 175.38 2gal s ILE 134 N -0.74 2.95 -1.18 1.52 1.01 -1.26 -0.61 121.20 122.90 2gal s ILE 134 Ca 0.12 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.22 2gal s ILE 134 Cb -0.10 -2.31 0.07 0.00 0.01 0.00 0.00 42.46 40.13 2gal s ILE 134 CO 0.01 0.47 0.80 0.49 0.00 0.00 0.00 174.94 176.71