#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4gal n ASN 2 N 0.00 0.57 -0.75 6.43 2.04 -1.26 -4.98 115.26 117.31 4gal n ASN 2 Ca 0.00 -0.01 0.10 0.00 -0.44 0.00 0.00 54.58 54.23 4gal n ASN 2 Cb 0.00 0.91 -0.03 0.00 -2.53 0.00 0.00 39.78 38.13 4gal n ASN 2 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 4gal n VAL 3 N -2.23 0.00 -1.68 3.53 3.14 -1.26 -4.34 118.33 115.49 4gal n VAL 3 Ca 0.00 0.03 -0.44 0.00 -2.96 0.00 0.00 64.34 60.98 4gal n VAL 3 Cb 0.50 -0.28 -0.03 0.00 -1.06 0.00 0.00 33.84 32.97 4gal n VAL 3 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 4gal n PRO 4 N -2.45 2.68 -3.77 1.45 -0.04 -1.26 -4.83 135.00 126.77 4gal n PRO 4 Ca 0.00 0.98 -0.35 0.00 -0.04 0.00 0.00 63.50 64.09 4gal n PRO 4 Cb 0.58 -2.88 -0.08 0.00 -0.04 0.00 0.00 33.50 31.09 4gal n PRO 4 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 4gal s HIS 5 N 3.54 3.42 -0.08 0.54 2.46 0.82 -4.93 115.29 121.06 4gal s HIS 5 Ca 0.86 0.34 0.03 0.00 0.47 0.00 0.00 55.06 56.76 4gal s HIS 5 Cb -0.51 -2.12 0.01 0.00 -0.13 0.00 0.00 32.58 29.82 4gal s HIS 5 CO 0.42 0.34 -0.16 0.15 -2.47 0.00 0.00 174.74 173.01 4gal s LYS 6 N 0.18 2.22 -0.09 2.88 3.01 -1.26 0.10 119.74 126.78 4gal s LYS 6 Ca 0.09 -0.59 0.02 0.00 -1.01 0.00 0.00 55.97 54.47 4gal s LYS 6 Cb -0.11 -1.78 0.02 0.00 -1.01 0.00 0.00 37.83 34.95 4gal s LYS 6 CO -0.01 0.06 -0.12 -1.12 0.51 0.00 0.00 175.35 174.66 4gal s SER 7 N 0.63 2.10 0.28 2.83 0.01 -0.11 -4.99 113.70 114.45 4gal s SER 7 Ca -0.14 -0.35 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 4gal s SER 7 Cb -0.16 -0.92 -0.09 0.00 0.21 0.00 0.00 66.02 65.06 4gal s SER 7 CO 0.04 -0.00 0.72 -0.55 0.41 0.00 0.00 173.24 173.86 4gal s SER 8 N 0.99 6.86 -0.45 2.44 0.15 -1.26 -0.41 113.70 122.02 4gal s SER 8 Ca -0.08 1.31 0.05 0.00 0.70 0.00 0.00 55.95 57.94 4gal s SER 8 Cb -0.15 -2.38 0.19 0.00 -1.71 0.00 0.00 66.02 61.97 4gal s SER 8 CO -0.01 -0.12 0.42 0.18 1.20 0.00 0.00 173.24 174.91 4gal n LEU 9 N 0.01 0.28 -0.24 3.45 4.77 0.02 -4.92 117.00 120.38 4gal n LEU 9 Ca 0.01 -4.60 0.05 0.00 -0.03 0.00 0.00 56.01 51.45 4gal n LEU 9 Cb 0.52 0.35 0.17 0.00 -2.33 0.00 0.00 43.42 42.14 4gal n LEU 9 CO 0.42 1.90 0.94 1.55 -1.33 0.00 0.00 177.39 180.88 4gal h PRO 10 N 5.16 0.28 -0.00 3.23 0.13 -1.92 0.22 132.00 139.10 4gal h PRO 10 Ca 0.21 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 4gal h PRO 10 Cb 0.87 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.94 4gal h PRO 10 CO 0.45 0.19 -0.10 0.39 -0.23 0.00 0.00 178.00 178.70 4gal n GLU 11 N -5.13 0.73 0.00 0.86 1.02 -1.26 -5.04 120.64 111.81 4gal n GLU 11 Ca 0.13 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 4gal n GLU 11 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 4gal n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 4gal n GLY 12 N 1.27 -1.71 3.16 0.62 0.00 0.07 -4.95 105.19 103.65 4gal n GLY 12 Ca 0.15 -1.38 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 4gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 4gal s ILE 13 N 0.00 1.07 0.30 -0.61 -4.36 -1.26 -4.97 121.20 111.37 4gal s ILE 13 Ca 0.00 -1.28 0.07 0.00 -0.26 0.00 0.00 60.65 59.18 4gal s ILE 13 Cb 0.00 -1.03 -0.06 0.00 1.25 0.00 0.00 42.46 42.62 4gal s ILE 13 CO 0.00 -0.23 -0.06 -0.13 0.24 0.00 0.00 174.94 174.76 4gal s ARG 14 N -1.72 1.64 0.18 0.37 0.52 -1.26 -4.35 118.95 114.33 4gal s ARG 14 Ca -0.03 -1.84 -0.33 0.00 -0.52 0.00 0.00 55.73 53.01 4gal s ARG 14 Cb -0.10 -1.29 -0.14 0.00 0.52 0.00 0.00 34.95 33.94 4gal s ARG 14 CO 0.02 0.04 1.54 -2.30 0.02 0.00 0.00 175.30 174.63 4gal n PRO 15 N -0.66 2.13 0.00 3.54 -0.02 -1.26 -1.93 135.00 136.81 4gal n PRO 15 Ca -0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 4gal n PRO 15 Cb 0.64 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 4gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4gal n GLY 16 N 3.11 1.18 3.81 -1.23 0.00 0.08 -4.96 105.19 107.19 4gal n GLY 16 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 4gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4gal s THR 17 N -2.00 5.31 -0.10 2.61 2.01 -0.81 -4.97 115.64 117.69 4gal s THR 17 Ca 0.00 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.50 4gal s THR 17 Cb 0.00 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 68.96 4gal s THR 17 CO 0.00 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.57 4gal s VAL 18 N -0.49 1.78 -0.25 3.82 1.01 0.71 -1.62 120.40 125.36 4gal s VAL 18 Ca 0.17 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 4gal s VAL 18 Cb -0.13 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 4gal s VAL 18 CO 0.06 0.50 0.04 -0.76 0.00 0.00 0.00 175.10 174.93 4gal s LEU 19 N 0.60 3.36 -0.20 3.92 1.02 -0.48 -0.05 118.68 126.85 4gal s LEU 19 Ca -0.14 -0.38 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 4gal s LEU 19 Cb -0.17 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.17 4gal s LEU 19 CO 0.04 -0.06 -0.04 -0.60 0.02 0.00 0.00 176.35 175.71 4gal s ARG 20 N 1.55 3.47 -0.11 1.70 3.52 0.60 -1.26 118.95 128.42 4gal s ARG 20 Ca 0.05 -0.59 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 4gal s ARG 20 Cb -0.15 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 4gal s ARG 20 CO 0.01 -0.04 -0.17 0.42 -0.81 0.00 0.00 175.30 174.71 4gal s ILE 21 N 1.09 1.64 0.03 4.11 1.01 -0.10 -0.98 121.20 127.99 4gal s ILE 21 Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.00 4gal s ILE 21 Cb -0.15 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 4gal s ILE 21 CO 0.00 0.47 -0.21 -0.13 0.00 0.00 0.00 174.94 175.07 4gal s ARG 22 N 0.81 1.50 -0.01 2.79 0.52 -0.38 -0.21 118.95 123.97 4gal s ARG 22 Ca -0.10 -0.90 -0.15 0.00 -0.52 0.00 0.00 55.73 54.06 4gal s ARG 22 Cb -0.16 -1.57 0.05 0.00 0.52 0.00 0.00 34.95 33.79 4gal s ARG 22 CO 0.01 0.41 0.67 0.41 0.02 0.00 0.00 175.30 176.82 4gal n GLY 23 N 2.04 0.42 3.33 -3.53 0.00 -1.05 -0.55 105.19 105.84 4gal n GLY 23 Ca -0.17 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 4gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4gal s LEU 24 N 0.00 2.12 -0.42 0.99 2.96 0.43 -0.97 118.68 123.79 4gal s LEU 24 Ca 0.16 -0.54 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 4gal s LEU 24 Cb -0.00 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.40 4gal s LEU 24 CO -0.00 0.28 0.49 -0.69 -1.32 0.00 0.00 176.35 175.11 4gal s VAL 25 N -0.72 5.02 0.96 1.68 1.01 -0.88 -1.17 120.40 126.28 4gal s VAL 25 Ca 0.11 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 4gal s VAL 25 Cb -0.10 -4.08 0.12 0.00 0.00 0.00 0.00 36.38 32.32 4gal s VAL 25 CO 0.01 -0.46 0.86 -0.81 0.00 0.00 0.00 175.10 174.69 4gal n PRO 26 N 5.78 -0.61 -0.34 2.72 -0.04 -1.26 0.51 135.00 141.76 4gal n PRO 26 Ca -0.06 -0.12 0.22 0.00 -0.04 0.00 0.00 63.50 63.50 4gal n PRO 26 Cb 0.48 -2.17 0.49 0.00 -0.04 0.00 0.00 33.50 32.25 4gal n PRO 26 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 4gal h PRO 27 N -1.86 0.41 -0.55 0.54 0.11 -1.94 -2.78 132.00 125.92 4gal h PRO 27 Ca -0.45 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.23 4gal h PRO 27 Cb 1.28 -0.09 -0.33 0.00 0.11 0.00 0.00 31.00 31.97 4gal h PRO 27 CO 0.39 0.27 -0.77 0.09 -0.21 0.00 0.00 178.00 177.77 4gal n ASN 28 N -4.70 3.93 -4.77 -2.05 3.02 -1.26 -4.71 115.26 104.71 4gal n ASN 28 Ca 0.27 -3.64 -0.41 0.00 -0.03 0.00 0.00 54.58 50.77 4gal n ASN 28 Cb 0.88 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 39.65 4gal n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 4gal s ALA 29 N -3.46 3.48 -0.21 5.41 0.00 -1.05 -4.95 121.76 120.98 4gal s ALA 29 Ca 0.46 1.41 -0.15 0.00 0.00 0.00 0.00 51.96 53.69 4gal s ALA 29 Cb 0.40 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 4gal s ALA 29 CO 0.01 -0.90 -0.33 0.43 0.00 0.00 0.00 175.76 174.97 4gal n SER 30 N 0.47 1.87 -3.49 0.00 7.64 -1.26 -4.47 113.62 114.38 4gal n SER 30 Ca 0.01 0.32 -0.09 0.00 1.01 0.00 0.00 58.87 60.12 4gal n SER 30 Cb 0.41 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 4gal n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 4gal s ARG 31 N -2.69 0.91 0.24 1.43 1.70 -1.26 0.25 118.95 119.53 4gal s ARG 31 Ca -0.31 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.60 4gal s ARG 31 Cb 0.08 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.85 4gal s ARG 31 CO 0.43 -0.39 0.26 -0.59 -1.08 0.00 0.00 175.30 173.92 4gal s PHE 32 N -3.19 1.09 0.08 5.89 -0.71 -1.03 -1.09 117.98 119.02 4gal s PHE 32 Ca 0.04 -1.29 -0.11 0.00 -1.04 0.00 0.00 56.93 54.53 4gal s PHE 32 Cb -0.01 -0.39 0.01 0.00 -1.21 0.00 0.00 43.02 41.42 4gal s PHE 32 CO -0.09 -0.80 0.24 -3.38 -1.34 0.00 0.00 175.22 169.85 4gal s HIS 33 N -3.90 0.04 -0.16 3.49 -3.43 -0.58 -2.93 115.29 107.81 4gal s HIS 33 Ca 0.35 -0.36 -0.00 0.00 -0.80 0.00 0.00 55.06 54.25 4gal s HIS 33 Cb 0.04 0.02 0.04 0.00 -1.43 0.00 0.00 32.58 31.25 4gal s HIS 33 CO 0.15 -0.54 -0.07 0.08 -2.00 0.00 0.00 174.74 172.36 4gal s VAL 34 N -3.36 1.22 -0.06 -5.38 1.01 -0.34 -1.77 120.40 111.72 4gal s VAL 34 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.39 4gal s VAL 34 Cb 0.02 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 4gal s VAL 34 CO -0.08 0.21 -0.14 0.20 0.00 0.00 0.00 175.10 175.28 4gal s ASN 35 N 1.59 4.02 -0.44 3.32 0.01 -0.03 -1.00 114.94 122.42 4gal s ASN 35 Ca 0.02 -0.22 -0.07 0.00 -0.71 0.00 0.00 52.86 51.88 4gal s ASN 35 Cb -0.15 -0.97 0.11 0.00 0.41 0.00 0.00 41.25 40.65 4gal s ASN 35 CO -0.08 0.32 0.28 -0.76 -1.51 0.00 0.00 177.10 175.34 4gal s LEU 36 N -0.55 5.42 0.43 0.60 1.43 0.32 -1.18 118.68 125.14 4gal s LEU 36 Ca 0.08 -1.86 -0.00 0.00 -1.03 0.00 0.00 54.13 51.31 4gal s LEU 36 Cb -0.11 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 4gal s LEU 36 CO 0.01 -0.61 0.65 -0.76 0.23 0.00 0.00 176.35 175.88 4gal s LEU 37 N 1.30 3.74 0.00 1.79 1.43 -0.55 -0.58 118.68 125.82 4gal s LEU 37 Ca 0.06 0.41 0.20 0.00 -1.03 0.00 0.00 54.13 53.78 4gal s LEU 37 Cb -0.24 -3.29 0.11 0.00 0.03 0.00 0.00 46.19 42.79 4gal s LEU 37 CO -0.01 -0.58 1.10 0.00 0.23 0.00 0.00 176.35 177.09 4gal s GLY 39 N -1.88 0.07 0.00 0.00 0.00 -1.26 -4.54 107.32 99.71 4gal s GLY 39 Ca 0.22 -0.27 0.24 0.00 0.00 0.00 0.00 44.72 44.90 4gal s GLY 39 CO 0.33 2.24 1.24 1.18 0.00 0.00 0.00 173.10 178.09 4gal n GLU 40 N -0.68 0.81 -2.10 2.90 1.02 -1.26 -4.85 120.64 116.48 4gal n GLU 40 Ca -0.03 -0.61 -0.35 0.00 -0.02 0.00 0.00 57.16 56.15 4gal n GLU 40 Cb 0.60 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.55 4gal n GLU 40 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 4gal s GLU 41 N -2.61 3.16 0.36 3.49 1.03 -1.26 -4.98 118.70 117.89 4gal s GLU 41 Ca 0.18 1.60 -0.27 0.00 0.03 0.00 0.00 54.97 56.51 4gal s GLU 41 Cb 0.18 -1.98 -0.09 0.00 -0.80 0.00 0.00 34.13 31.44 4gal s GLU 41 CO 0.61 -1.01 1.15 -0.65 -1.33 0.00 0.00 175.26 174.04 4gal s GLN 42 N -3.48 4.26 -0.43 -4.83 -0.21 -1.26 -2.80 119.66 110.91 4gal s GLN 42 Ca 0.72 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.93 4gal s GLN 42 Cb -0.24 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 30.93 4gal s GLN 42 CO 0.31 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 4gal n GLY 43 N 0.76 0.69 3.71 3.09 0.00 -1.26 -5.00 105.19 107.19 4gal n GLY 43 Ca 0.02 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 4gal n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4gal s SER 44 N -2.77 3.72 0.59 1.61 0.15 -1.12 -4.69 113.70 111.18 4gal s SER 44 Ca 0.00 2.11 -0.20 0.00 0.70 0.00 0.00 55.95 58.56 4gal s SER 44 Cb 0.00 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.72 4gal s SER 44 CO 0.00 -2.57 1.29 -1.81 1.20 0.00 0.00 173.24 171.35 4gal s ASP 45 N -2.76 5.06 -0.17 5.45 1.01 -1.26 -4.83 116.67 119.17 4gal s ASP 45 Ca 0.66 2.61 0.01 0.00 0.71 0.00 0.00 52.55 56.54 4gal s ASP 45 Cb -0.22 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.12 4gal s ASP 45 CO 0.54 -1.70 -0.14 0.00 0.21 0.00 0.00 175.17 174.08 4gal s ALA 46 N -1.41 2.02 0.26 5.23 0.00 -0.16 -1.10 121.76 126.61 4gal s ALA 46 Ca 0.77 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.67 4gal s ALA 46 Cb -0.37 -1.16 0.34 0.00 0.00 0.00 0.00 23.12 21.94 4gal s ALA 46 CO 0.41 -0.51 1.66 0.00 0.00 0.00 0.00 175.76 177.32 4gal h ALA 47 N 8.00 0.99 -2.88 0.00 0.00 -1.11 -1.90 119.26 122.36 4gal h ALA 47 Ca -0.37 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 4gal h ALA 47 Cb 1.12 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.56 4gal h ALA 47 CO 0.54 0.61 -0.32 -1.17 0.00 0.00 0.00 179.25 178.91 4gal s LEU 48 N -8.45 0.56 -0.19 0.00 2.96 -1.20 -4.71 118.68 107.66 4gal s LEU 48 Ca -0.06 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.54 4gal s LEU 48 Cb 0.13 1.17 0.05 0.00 0.50 0.00 0.00 46.19 48.05 4gal s LEU 48 CO 0.80 -0.13 -0.00 -2.28 -1.32 0.00 0.00 176.35 173.41 4gal s HIS 49 N 0.41 1.42 -0.23 5.38 5.65 -0.11 -0.52 115.29 127.29 4gal s HIS 49 Ca -0.02 -1.05 -0.06 0.00 0.25 0.00 0.00 55.06 54.18 4gal s HIS 49 Cb -0.04 -1.18 -0.03 0.00 -1.18 0.00 0.00 32.58 30.15 4gal s HIS 49 CO -0.02 -0.63 0.04 0.12 -0.65 0.00 0.00 174.74 173.61 4gal s PHE 50 N 1.72 3.07 -0.42 3.88 5.36 -0.17 -1.21 117.98 130.20 4gal s PHE 50 Ca -0.01 -0.47 0.02 0.00 -0.96 0.00 0.00 56.93 55.51 4gal s PHE 50 Cb -0.17 -2.19 0.15 0.00 -0.34 0.00 0.00 43.02 40.47 4gal s PHE 50 CO -0.07 -0.34 0.27 1.21 -1.46 0.00 0.00 175.22 174.83 4gal s ASN 51 N 1.43 2.98 0.03 6.13 3.04 0.15 -1.20 114.94 127.50 4gal s ASN 51 Ca 0.05 -2.68 -0.30 0.00 0.04 0.00 0.00 52.86 49.97 4gal s ASN 51 Cb -0.15 -0.72 -0.07 0.00 -1.54 0.00 0.00 41.25 38.77 4gal s ASN 51 CO 0.02 -0.24 1.48 -2.84 -3.04 0.00 0.00 177.10 172.48 4gal s PRO 52 N 0.38 4.26 -0.36 0.43 0.02 -1.15 -1.72 135.00 136.86 4gal s PRO 52 Ca 0.22 2.10 -0.02 0.00 0.02 0.00 0.00 61.00 63.32 4gal s PRO 52 Cb -0.16 -3.55 0.09 0.00 0.02 0.00 0.00 34.50 30.90 4gal s PRO 52 CO -0.06 -0.62 0.11 1.03 -0.33 0.00 0.00 177.00 177.13 4gal s ARG 53 N 2.35 2.09 0.19 5.54 0.52 0.18 -2.47 118.95 127.35 4gal s ARG 53 Ca 0.67 -1.62 0.10 0.00 -0.52 0.00 0.00 55.73 54.36 4gal s ARG 53 Cb -0.35 -3.38 -0.00 0.00 0.52 0.00 0.00 34.95 31.74 4gal s ARG 53 CO 0.29 -0.88 1.40 -0.07 0.02 0.00 0.00 175.30 176.05 4gal h LEU 54 N 7.97 0.00 -1.39 2.53 -0.00 -0.45 0.13 115.31 124.10 4gal h LEU 54 Ca -0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.67 4gal h LEU 54 Cb 1.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.70 4gal h LEU 54 CO 0.61 0.81 -0.28 -2.24 -0.00 0.00 0.00 178.44 177.35 4gal h ASP 55 N 0.00 0.00 -0.01 -0.43 2.03 -1.42 -3.17 116.42 113.43 4gal h ASP 55 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 4gal h ASP 55 Cb 1.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 4gal h ASP 55 CO 0.11 0.28 -0.01 0.35 -1.03 0.00 0.00 179.24 178.93 4gal n THR 56 N -3.79 0.00 -3.38 1.15 -2.24 -1.21 -5.04 114.28 99.77 4gal n THR 56 Ca -0.01 -0.49 -0.17 0.00 -2.27 0.00 0.00 64.05 61.10 4gal n THR 56 Cb 0.37 1.10 0.08 0.00 -2.10 0.00 0.00 70.33 69.78 4gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 4gal n SER 57 N 0.21 -4.04 -3.85 3.42 7.64 0.36 -5.04 113.62 112.33 4gal n SER 57 Ca 0.03 -0.68 -0.11 0.00 1.01 0.00 0.00 58.87 59.11 4gal n SER 57 Cb 0.12 -5.04 -0.09 0.00 -1.01 0.00 0.00 64.21 58.20 4gal n SER 57 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 4gal s GLU 58 N -5.01 0.61 -0.19 1.43 2.02 -0.62 -4.67 118.70 112.26 4gal s GLU 58 Ca 0.21 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.71 4gal s GLU 58 Cb -0.03 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.48 4gal s GLU 58 CO 0.74 -0.16 -0.16 0.08 0.02 0.00 0.00 175.26 175.78 4gal s VAL 59 N -1.99 1.92 -0.07 2.63 1.01 -1.26 0.47 120.40 123.10 4gal s VAL 59 Ca -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.87 4gal s VAL 59 Cb -0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 4gal s VAL 59 CO -0.01 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 4gal s VAL 60 N 1.31 3.85 -0.03 2.92 1.01 -0.70 -1.60 120.40 127.16 4gal s VAL 60 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.64 4gal s VAL 60 Cb -0.15 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 4gal s VAL 60 CO -0.10 0.59 -0.26 -0.36 0.00 0.00 0.00 175.10 174.97 4gal s PHE 61 N -0.84 2.35 0.34 5.22 0.40 0.01 0.31 117.98 125.78 4gal s PHE 61 Ca 0.13 -0.52 -0.16 0.00 -0.60 0.00 0.00 56.93 55.78 4gal s PHE 61 Cb -0.11 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 41.93 4gal s PHE 61 CO 0.02 -0.09 0.72 1.21 0.70 0.00 0.00 175.22 177.78 4gal s ASN 62 N -0.48 0.02 0.22 1.36 3.84 -0.35 -1.28 114.94 118.27 4gal s ASN 62 Ca 0.06 -1.03 0.02 0.00 0.21 0.00 0.00 52.86 52.13 4gal s ASN 62 Cb -0.11 0.78 -0.05 0.00 -0.55 0.00 0.00 41.25 41.32 4gal s ASN 62 CO 0.00 -1.53 0.04 -0.94 -2.79 0.00 0.00 177.10 171.88 4gal s SER 63 N -3.04 1.38 -0.05 -4.21 1.04 -1.26 -0.93 113.70 106.62 4gal s SER 63 Ca 0.16 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.32 4gal s SER 63 Cb -0.05 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.21 4gal s SER 63 CO 0.11 -0.61 0.02 -0.75 0.98 0.00 0.00 173.24 172.99 4gal s LYS 64 N -3.94 0.31 -0.08 4.02 2.20 -0.71 -1.80 119.74 119.74 4gal s LYS 64 Ca 0.30 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 4gal s LYS 64 Cb 0.07 -0.71 0.02 0.00 -1.51 0.00 0.00 37.83 35.70 4gal s LYS 64 CO 0.09 -0.28 -0.06 -2.00 -0.36 0.00 0.00 175.35 172.75 4gal s GLU 65 N 1.84 1.16 -1.57 4.03 2.56 -0.48 -0.98 118.70 125.25 4gal s GLU 65 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 54.97 54.79 4gal s GLU 65 Cb -0.12 -1.21 0.01 0.00 2.00 0.00 0.00 34.13 34.80 4gal s GLU 65 CO -0.04 -0.18 0.44 1.04 -0.56 0.00 0.00 175.26 175.96 4gal n GLN 66 N 4.56 -3.95 0.00 4.30 6.02 -1.26 -2.15 117.38 124.90 4gal n GLN 66 Ca -0.16 0.88 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 4gal n GLN 66 Cb 0.51 -5.68 0.00 0.00 1.02 0.00 0.00 30.24 26.08 4gal n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 4gal n GLY 67 N -1.35 1.88 3.40 1.08 0.00 -1.26 -5.04 105.19 103.89 4gal n GLY 67 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 4gal n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4gal s SER 68 N -2.24 3.49 0.52 1.61 1.04 -0.92 -5.11 113.70 112.10 4gal s SER 68 Ca 0.00 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.77 4gal s SER 68 Cb 0.00 -0.48 -0.07 0.00 0.10 0.00 0.00 66.02 65.57 4gal s SER 68 CO 0.00 0.27 1.05 0.26 0.98 0.00 0.00 173.24 175.80 4gal s TRP 69 N -0.82 2.98 0.00 5.02 0.52 -1.26 -1.38 118.94 123.99 4gal s TRP 69 Ca 0.13 1.56 0.00 0.00 0.02 0.00 0.00 56.10 57.80 4gal s TRP 69 Cb -0.10 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 4gal s TRP 69 CO 0.03 -0.94 0.00 0.41 0.02 0.00 0.00 176.95 176.47 4gal n GLY 70 N -0.42 0.64 3.72 0.98 0.00 -0.74 -4.92 105.19 104.44 4gal n GLY 70 Ca 0.09 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 4gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 4gal s ARG 71 N -0.07 4.58 0.38 1.61 3.52 -1.26 -4.85 118.95 122.86 4gal s ARG 71 Ca 0.00 1.38 -0.25 0.00 -0.13 0.00 0.00 55.73 56.72 4gal s ARG 71 Cb 0.00 -3.44 -0.09 0.00 -1.56 0.00 0.00 34.95 29.86 4gal s ARG 71 CO 0.00 0.02 1.10 -1.21 -0.81 0.00 0.00 175.30 174.41 4gal s GLU 72 N 0.75 4.20 0.05 5.12 2.02 -1.26 -4.78 118.70 124.80 4gal s GLU 72 Ca 0.49 1.69 0.08 0.00 0.02 0.00 0.00 54.97 57.25 4gal s GLU 72 Cb -0.21 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 4gal s GLU 72 CO 0.28 -0.15 -0.20 -1.21 0.02 0.00 0.00 175.26 173.99 4gal s GLU 73 N -2.23 1.95 -0.05 1.61 2.02 -0.41 -4.98 118.70 116.62 4gal s GLU 73 Ca 0.55 -1.05 0.06 0.00 0.02 0.00 0.00 54.97 54.56 4gal s GLU 73 Cb -0.27 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.83 4gal s GLU 73 CO 0.34 0.52 -0.24 1.03 0.02 0.00 0.00 175.26 176.93 4gal s ARG 74 N -1.50 2.35 0.78 1.61 0.52 -1.26 -0.81 118.95 120.64 4gal s ARG 74 Ca 0.14 -0.88 -0.10 0.00 -0.52 0.00 0.00 55.73 54.38 4gal s ARG 74 Cb -0.10 -2.06 0.09 0.00 0.52 0.00 0.00 34.95 33.40 4gal s ARG 74 CO 0.05 0.41 1.12 0.20 0.02 0.00 0.00 175.30 177.11 4gal s GLY 75 N -0.26 1.67 -1.00 -3.53 0.00 -0.63 -4.98 107.32 98.60 4gal s GLY 75 Ca -0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 44.72 43.57 4gal s GLY 75 CO 0.02 -0.42 1.57 2.56 0.00 0.00 0.00 173.10 176.83 4gal s PRO 76 N -5.46 3.36 0.06 2.90 0.04 -1.26 -4.70 135.00 129.93 4gal s PRO 76 Ca 0.63 -0.94 0.00 0.00 0.04 0.00 0.00 61.00 60.73 4gal s PRO 76 Cb -0.09 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.15 4gal s PRO 76 CO 0.48 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.45 4gal n GLY 77 N 6.86 -1.61 3.25 0.56 0.00 -1.26 -4.80 105.19 108.19 4gal n GLY 77 Ca 0.35 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 4gal n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4gal s VAL 78 N -1.54 4.23 -0.27 1.61 1.01 -1.26 -4.53 120.40 119.65 4gal s VAL 78 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.43 4gal s VAL 78 Cb 0.00 -3.67 0.25 0.00 0.00 0.00 0.00 36.38 32.96 4gal s VAL 78 CO 0.00 -0.62 1.76 -0.81 0.00 0.00 0.00 175.10 175.43 4gal n PRO 79 N 4.92 1.70 -4.22 2.72 -0.04 -1.26 -4.83 135.00 133.99 4gal n PRO 79 Ca -0.09 -1.47 -0.17 0.00 -0.04 0.00 0.00 63.50 61.73 4gal n PRO 79 Cb 0.42 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 4gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 4gal s PHE 80 N -1.67 1.29 -0.05 0.54 0.08 -1.26 -4.88 117.98 112.02 4gal s PHE 80 Ca 0.29 -0.58 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 4gal s PHE 80 Cb 0.23 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 42.01 4gal s PHE 80 CO 0.02 0.10 0.16 -0.65 -0.10 0.00 0.00 175.22 174.75 4gal s GLN 81 N -2.64 0.25 0.32 0.44 -0.21 -1.26 -5.08 119.66 111.48 4gal s GLN 81 Ca 0.07 0.13 -0.29 0.00 0.02 0.00 0.00 55.36 55.29 4gal s GLN 81 Cb -0.05 0.11 -0.10 0.00 1.00 0.00 0.00 33.01 33.97 4gal s GLN 81 CO 0.02 -0.04 1.38 1.03 -2.12 0.00 0.00 175.29 175.56 4gal s ARG 82 N -0.16 4.29 -0.03 2.91 0.52 -1.26 -2.09 118.95 123.13 4gal s ARG 82 Ca -0.02 2.30 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 4gal s ARG 82 Cb -0.02 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.39 4gal s ARG 82 CO 0.00 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.42 4gal n GLY 83 N 1.12 0.47 3.16 -3.53 0.00 0.18 -4.88 105.19 101.71 4gal n GLY 83 Ca 0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 4gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4gal s GLN 84 N -0.46 1.34 0.74 1.61 -1.52 -0.89 -4.95 119.66 115.52 4gal s GLN 84 Ca 0.00 -0.62 -0.12 0.00 -1.95 0.00 0.00 55.36 52.67 4gal s GLN 84 Cb 0.00 -1.31 0.03 0.00 -0.22 0.00 0.00 33.01 31.52 4gal s GLN 84 CO 0.00 0.36 1.11 -1.25 -0.25 0.00 0.00 175.29 175.26 4gal s PRO 85 N -0.46 2.59 0.20 2.91 0.04 -1.26 -2.08 135.00 136.94 4gal s PRO 85 Ca 0.06 0.44 -0.14 0.00 0.04 0.00 0.00 61.00 61.40 4gal s PRO 85 Cb -0.07 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.49 4gal s PRO 85 CO -0.00 -1.22 0.45 -0.59 0.04 0.00 0.00 177.00 175.68 4gal s PHE 86 N -3.36 0.15 -0.03 0.56 -0.12 -0.15 -4.92 117.98 110.12 4gal s PHE 86 Ca 0.59 -0.51 -0.00 0.00 -0.05 0.00 0.00 56.93 56.95 4gal s PHE 86 Cb -0.12 0.23 0.03 0.00 -0.63 0.00 0.00 43.02 42.53 4gal s PHE 86 CO 0.52 -0.90 0.03 -2.00 -0.05 0.00 0.00 175.22 172.82 4gal s GLU 87 N -3.94 0.10 -0.06 1.99 2.12 -1.26 -2.54 118.70 115.12 4gal s GLU 87 Ca 0.15 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.72 4gal s GLU 87 Cb 0.00 -0.44 -0.00 0.00 0.26 0.00 0.00 34.13 33.95 4gal s GLU 87 CO 0.02 -0.21 -0.20 0.08 -0.54 0.00 0.00 175.26 174.41 4gal s VAL 88 N 1.39 1.65 -0.13 3.70 1.01 0.71 -2.80 120.40 125.93 4gal s VAL 88 Ca -0.05 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.11 4gal s VAL 88 Cb -0.13 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 4gal s VAL 88 CO -0.03 0.47 -0.13 -0.76 0.00 0.00 0.00 175.10 174.66 4gal s LEU 89 N 0.13 2.74 -0.27 3.92 1.43 -0.25 -0.93 118.68 125.45 4gal s LEU 89 Ca -0.08 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 4gal s LEU 89 Cb -0.14 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.53 4gal s LEU 89 CO 0.04 0.16 -0.08 -0.63 0.23 0.00 0.00 176.35 176.08 4gal s ILE 90 N 0.35 2.28 -0.22 -0.59 1.01 -0.39 -0.77 121.20 122.87 4gal s ILE 90 Ca -0.11 -1.69 -0.07 0.00 0.00 0.00 0.00 60.65 58.79 4gal s ILE 90 Cb -0.16 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 4gal s ILE 90 CO 0.06 -0.10 0.05 -0.63 0.00 0.00 0.00 174.94 174.31 4gal s ILE 91 N 1.10 4.34 -0.09 2.92 1.01 0.39 -1.39 121.20 129.48 4gal s ILE 91 Ca -0.06 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 4gal s ILE 91 Cb -0.20 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 4gal s ILE 91 CO -0.05 0.39 0.69 0.00 0.00 0.00 0.00 174.94 175.98 4gal s ALA 92 N 1.15 3.37 0.20 9.38 0.00 -0.64 -0.09 121.76 135.14 4gal s ALA 92 Ca 0.04 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.08 4gal s ALA 92 Cb -0.14 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 4gal s ALA 92 CO 0.03 -0.18 0.03 -1.13 0.00 0.00 0.00 175.76 174.50 4gal n SER 93 N 4.00 1.95 -0.14 0.00 3.41 0.34 -0.74 113.62 122.45 4gal n SER 93 Ca -0.01 -1.94 -0.08 0.00 -0.26 0.00 0.00 58.87 56.58 4gal n SER 93 Cb 0.51 0.27 -0.00 0.00 -0.26 0.00 0.00 64.21 64.73 4gal n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 4gal h ASP 94 N 0.59 0.53 0.17 4.04 3.32 -1.96 -3.26 116.42 119.85 4gal h ASP 94 Ca -0.16 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.79 4gal h ASP 94 Cb 0.53 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 4gal h ASP 94 CO 0.26 0.48 -0.46 -0.90 -1.72 0.00 0.00 179.24 176.90 4gal n ASP 95 N -4.71 1.24 0.00 6.45 5.75 -1.26 -4.95 116.55 119.08 4gal n ASP 95 Ca 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 4gal n ASP 95 Cb 0.09 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 4gal n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 4gal n GLY 96 N 1.41 -0.71 3.37 6.12 0.00 -1.23 -2.29 105.19 111.85 4gal n GLY 96 Ca 0.09 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 4gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4gal s PHE 97 N -3.00 2.83 -0.14 1.61 0.08 -0.27 -0.50 117.98 118.59 4gal s PHE 97 Ca 0.00 -0.67 -0.13 0.00 0.12 0.00 0.00 56.93 56.25 4gal s PHE 97 Cb 0.00 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 4gal s PHE 97 CO 0.00 -0.24 0.27 0.15 -0.10 0.00 0.00 175.22 175.31 4gal s LYS 98 N 0.43 4.12 -0.23 0.44 1.02 0.87 -0.81 119.74 125.58 4gal s LYS 98 Ca -0.09 0.08 -0.05 0.00 0.02 0.00 0.00 55.97 55.93 4gal s LYS 98 Cb -0.16 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.77 4gal s LYS 98 CO 0.05 0.36 -0.02 0.00 -0.92 0.00 0.00 175.35 174.82 4gal s ALA 99 N 0.12 2.89 -0.15 5.17 0.00 0.01 -0.46 121.76 129.33 4gal s ALA 99 Ca 0.16 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.93 4gal s ALA 99 Cb -0.13 -1.80 -0.00 0.00 0.00 0.00 0.00 23.12 21.18 4gal s ALA 99 CO 0.04 -0.50 -0.15 0.08 0.00 0.00 0.00 175.76 175.24 4gal s VAL 100 N 1.50 2.72 -0.05 0.00 1.01 0.05 -0.11 120.40 125.52 4gal s VAL 100 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.31 4gal s VAL 100 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.09 4gal s VAL 100 CO -0.02 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.77 4gal s VAL 101 N 0.74 1.19 -1.50 2.92 1.01 -0.65 -1.09 120.40 123.02 4gal s VAL 101 Ca -0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 4gal s VAL 101 Cb -0.15 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.24 4gal s VAL 101 CO 0.01 0.36 0.89 0.61 0.00 0.00 0.00 175.10 176.97 4gal n GLY 102 N 3.49 -0.44 2.37 4.51 0.00 -1.12 -2.17 105.19 111.83 4gal n GLY 102 Ca -0.20 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 4gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4gal n ASP 103 N -2.87 -4.44 -4.06 1.61 9.92 -1.26 -5.01 116.55 110.45 4gal n ASP 103 Ca -0.03 0.24 -0.16 0.00 -0.53 0.00 0.00 54.79 54.31 4gal n ASP 103 Cb 0.56 -2.79 -0.13 0.00 -0.64 0.00 0.00 41.12 38.12 4gal n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 4gal s ALA 104 N -2.27 0.71 0.04 2.24 0.00 -0.92 -5.10 121.76 116.45 4gal s ALA 104 Ca 0.00 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.02 4gal s ALA 104 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 23.12 22.98 4gal s ALA 104 CO 0.00 0.08 1.57 -1.14 0.00 0.00 0.00 175.76 176.27 4gal s GLN 105 N -1.05 4.22 -0.19 0.00 2.00 -1.26 -1.63 119.66 121.75 4gal s GLN 105 Ca -0.03 2.20 -0.04 0.00 -2.00 0.00 0.00 55.36 55.49 4gal s GLN 105 Cb -0.07 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 30.03 4gal s GLN 105 CO 0.00 -0.69 -0.21 0.98 -0.50 0.00 0.00 175.29 174.88 4gal n TYR 106 N 5.59 0.00 -3.55 1.67 9.36 0.85 -4.91 117.16 126.17 4gal n TYR 106 Ca 0.15 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.21 4gal n TYR 106 Cb 0.42 -0.71 -0.06 0.00 -0.63 0.00 0.00 39.34 38.36 4gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 4gal s HIS 107 N -2.36 -0.63 -0.18 2.98 5.04 -1.01 -4.51 115.29 114.60 4gal s HIS 107 Ca -0.26 1.18 -0.01 0.00 -1.54 0.00 0.00 55.06 54.44 4gal s HIS 107 Cb 0.08 0.39 0.01 0.00 0.04 0.00 0.00 32.58 33.10 4gal s HIS 107 CO 0.39 -0.53 -0.14 -1.58 -2.34 0.00 0.00 174.74 170.54 4gal s HIS 108 N -0.90 2.83 -0.44 3.88 2.46 -1.26 -0.81 115.29 121.06 4gal s HIS 108 Ca -0.08 -1.27 -0.09 0.00 0.47 0.00 0.00 55.06 54.09 4gal s HIS 108 Cb -0.01 -1.96 0.09 0.00 -0.13 0.00 0.00 32.58 30.57 4gal s HIS 108 CO 0.07 -0.64 0.29 0.12 -2.47 0.00 0.00 174.74 172.11 4gal s PHE 109 N 1.21 3.37 0.31 3.88 5.36 0.01 -4.95 117.98 127.17 4gal s PHE 109 Ca 0.02 -1.65 -0.29 0.00 -0.96 0.00 0.00 56.93 54.05 4gal s PHE 109 Cb -0.14 -3.16 -0.12 0.00 -0.34 0.00 0.00 43.02 39.26 4gal s PHE 109 CO -0.06 -0.90 1.40 -2.13 -1.46 0.00 0.00 175.22 172.06 4gal n ARG 110 N 4.92 2.26 -1.73 10.12 3.00 -1.26 -1.11 116.66 132.86 4gal n ARG 110 Ca -0.09 0.80 -0.42 0.00 -0.00 0.00 0.00 57.85 58.14 4gal n ARG 110 Cb 0.42 -2.45 -0.01 0.00 0.00 0.00 0.00 32.46 30.42 4gal n ARG 110 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 4gal n HIS 111 N 1.11 2.64 -0.03 -0.14 8.25 -0.97 -4.87 115.22 121.21 4gal n HIS 111 Ca 0.07 0.42 -0.04 0.00 -0.26 0.00 0.00 57.72 57.91 4gal n HIS 111 Cb 0.35 -2.51 -0.04 0.00 1.12 0.00 0.00 29.99 28.91 4gal n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 4gal n ARG 112 N 1.20 2.32 -4.43 -0.41 1.74 -1.26 -5.02 116.66 110.80 4gal n ARG 112 Ca 0.06 0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.91 4gal n ARG 112 Cb 0.36 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.54 4gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 4gal s LEU 113 N -4.69 2.52 0.11 0.55 1.43 -1.26 -5.10 118.68 112.24 4gal s LEU 113 Ca -0.05 -0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 51.78 4gal s LEU 113 Cb 0.02 -1.05 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 4gal s LEU 113 CO 0.23 0.04 1.54 -2.84 0.23 0.00 0.00 176.35 175.55 4gal s PRO 114 N -3.17 4.24 0.49 1.29 0.02 -1.26 -4.87 135.00 131.73 4gal s PRO 114 Ca 0.25 2.26 0.29 0.00 0.02 0.00 0.00 61.00 63.82 4gal s PRO 114 Cb -0.06 -3.34 1.38 0.00 0.02 0.00 0.00 34.50 32.50 4gal s PRO 114 CO 0.12 -0.61 1.80 -0.07 -0.33 0.00 0.00 177.00 177.91 4gal h LEU 115 N 7.45 0.17 0.00 -5.54 3.38 -1.98 0.05 115.31 118.84 4gal h LEU 115 Ca -0.42 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.58 4gal h LEU 115 Cb 1.20 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.96 4gal h LEU 115 CO 0.91 0.03 0.00 0.00 0.09 0.00 0.00 178.44 179.47 4gal n ALA 116 N -2.65 1.56 0.44 1.53 0.00 -1.26 -2.50 120.51 117.63 4gal n ALA 116 Ca 0.25 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.76 4gal n ALA 116 Cb 1.07 -1.19 0.11 0.00 0.00 0.00 0.00 19.45 19.45 4gal n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4gal h ARG 117 N 0.00 0.00 -6.80 0.00 3.08 -1.34 -3.46 114.38 105.86 4gal h ARG 117 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 4gal h ARG 117 Cb 0.20 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.32 4gal h ARG 117 CO 0.00 0.00 0.80 0.08 -1.07 0.00 0.00 179.97 179.78 4gal s VAL 118 N -3.22 2.39 0.00 2.04 1.01 -1.04 -4.44 120.40 117.14 4gal s VAL 118 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.36 4gal s VAL 118 Cb 0.12 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.29 4gal s VAL 118 CO 0.75 0.06 0.02 0.54 0.00 0.00 0.00 175.10 176.47 4gal n ARG 119 N 1.97 0.48 -3.57 2.72 5.12 0.50 -4.17 116.66 119.71 4gal n ARG 119 Ca 0.06 -0.02 -0.17 0.00 -1.93 0.00 0.00 57.85 55.79 4gal n ARG 119 Cb 0.39 -0.25 -0.07 0.00 -1.16 0.00 0.00 32.46 31.38 4gal n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 4gal s LEU 120 N -0.15 -0.46 -0.09 0.55 2.96 -1.09 -0.80 118.68 119.61 4gal s LEU 120 Ca 0.00 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.69 4gal s LEU 120 Cb 0.00 2.35 -0.00 0.00 0.50 0.00 0.00 46.19 49.03 4gal s LEU 120 CO 0.00 -0.53 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.57 4gal s VAL 121 N -0.97 2.11 -0.02 1.68 1.01 0.45 -1.48 120.40 123.18 4gal s VAL 121 Ca -0.10 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.90 4gal s VAL 121 Cb -0.01 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 4gal s VAL 121 CO 0.08 0.56 -0.13 -0.70 0.00 0.00 0.00 175.10 174.91 4gal s GLU 122 N 0.16 1.23 -0.08 2.72 2.12 -0.33 -0.94 118.70 123.58 4gal s GLU 122 Ca -0.13 -0.47 0.02 0.00 0.36 0.00 0.00 54.97 54.75 4gal s GLU 122 Cb -0.16 -1.14 0.01 0.00 0.26 0.00 0.00 34.13 33.10 4gal s GLU 122 CO 0.07 0.24 -0.14 0.08 -0.54 0.00 0.00 175.26 174.97 4gal s VAL 123 N -0.11 1.28 0.21 3.70 1.01 0.12 -0.85 120.40 125.76 4gal s VAL 123 Ca 0.01 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 4gal s VAL 123 Cb -0.08 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.16 4gal s VAL 123 CO 0.00 0.39 0.37 0.61 0.00 0.00 0.00 175.10 176.47 4gal n GLY 124 N 3.87 1.96 0.84 4.51 0.00 -0.73 -0.13 105.19 115.51 4gal n GLY 124 Ca -0.22 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.48 4gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4gal n GLY 125 N -0.32 -1.31 3.00 -0.02 0.00 -1.26 -1.53 105.19 103.75 4gal n GLY 125 Ca -0.02 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 4gal n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4gal n ASP 126 N 0.04 4.78 -3.81 1.61 8.00 -0.25 -4.92 116.55 122.01 4gal n ASP 126 Ca 0.00 -3.00 -0.12 0.00 0.71 0.00 0.00 54.79 52.38 4gal n ASP 126 Cb 0.00 -1.57 -0.09 0.00 -0.02 0.00 0.00 41.12 39.44 4gal n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 4gal s VAL 127 N 1.68 0.07 -0.32 2.53 0.11 -1.26 -4.38 120.40 118.83 4gal s VAL 127 Ca 0.43 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 4gal s VAL 127 Cb 0.08 -0.60 0.08 0.00 -1.53 0.00 0.00 36.38 34.41 4gal s VAL 127 CO -0.01 -0.33 0.02 -1.10 -3.33 0.00 0.00 175.10 170.35 4gal s GLN 128 N -1.54 2.05 0.26 1.54 -0.21 -0.32 -4.72 119.66 116.71 4gal s GLN 128 Ca -0.13 -1.55 -0.30 0.00 0.02 0.00 0.00 55.36 53.41 4gal s GLN 128 Cb -0.05 -3.18 -0.09 0.00 1.00 0.00 0.00 33.01 30.68 4gal s GLN 128 CO 0.02 -0.77 1.17 -0.51 -2.12 0.00 0.00 175.29 173.08 4gal s LEU 129 N 1.10 4.49 -0.09 2.90 1.02 -1.26 -0.43 118.68 126.42 4gal s LEU 129 Ca 0.01 2.34 -0.08 0.00 0.02 0.00 0.00 54.13 56.42 4gal s LEU 129 Cb -0.20 -3.62 -0.03 0.00 0.02 0.00 0.00 46.19 42.36 4gal s LEU 129 CO -0.05 -0.30 -0.15 -0.67 0.02 0.00 0.00 176.35 175.21 4gal n ASP 130 N 1.58 1.02 -3.58 2.29 -0.08 0.29 -4.68 116.55 113.39 4gal n ASP 130 Ca 0.01 0.29 -0.13 0.00 -1.51 0.00 0.00 54.79 53.45 4gal n ASP 130 Cb 0.44 -0.66 -0.05 0.00 2.34 0.00 0.00 41.12 43.19 4gal n ASP 130 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 4gal s SER 131 N -4.90 -0.40 -0.17 1.67 1.04 -0.95 -5.00 113.70 104.99 4gal s SER 131 Ca -0.12 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.36 4gal s SER 131 Cb 0.02 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.67 4gal s SER 131 CO 0.19 -0.76 -0.03 -0.69 0.98 0.00 0.00 173.24 172.92 4gal s VAL 132 N -2.79 0.99 -0.01 5.02 1.01 -1.26 -1.25 120.40 122.12 4gal s VAL 132 Ca -0.03 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.43 4gal s VAL 132 Cb -0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 4gal s VAL 132 CO -0.04 0.08 -0.23 -0.13 0.00 0.00 0.00 175.10 174.77 4gal s ARG 133 N 1.68 1.83 -0.18 2.72 1.81 -0.15 -4.98 118.95 121.68 4gal s ARG 133 Ca 0.00 -0.86 0.01 0.00 -1.72 0.00 0.00 55.73 53.16 4gal s ARG 133 Cb -0.15 -1.80 0.02 0.00 -0.45 0.00 0.00 34.95 32.56 4gal s ARG 133 CO -0.07 0.49 -0.20 0.42 -0.68 0.00 0.00 175.30 175.26 4gal s ILE 134 N -0.59 2.10 -1.27 1.52 1.01 -1.26 -0.29 121.20 122.41 4gal s ILE 134 Ca 0.09 -0.93 0.10 0.00 0.00 0.00 0.00 60.65 59.91 4gal s ILE 134 Cb -0.09 -1.87 0.08 0.00 0.01 0.00 0.00 42.46 40.59 4gal s ILE 134 CO -0.00 0.54 0.82 0.49 0.00 0.00 0.00 174.94 176.79