#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gal n ASN 2 N 0.00 0.00 0.00 4.04 0.23 -1.26 -4.82 115.26 113.45 3gal n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3gal n ASN 2 Cb 0.00 0.09 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 3gal n ASN 2 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3gal n VAL 3 N -1.74 0.00 -0.70 3.53 3.14 -1.26 -5.06 118.33 116.24 3gal n VAL 3 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 3gal n VAL 3 Cb 0.00 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 32.94 3gal n VAL 3 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 3gal n PRO 4 N -1.07 -0.66 -4.94 1.45 -0.04 -1.26 -4.94 135.00 123.54 3gal n PRO 4 Ca 0.00 -0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.01 3gal n PRO 4 Cb 0.00 -2.12 -0.14 0.00 -0.04 0.00 0.00 33.50 31.20 3gal n PRO 4 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3gal s HIS 5 N -2.50 2.43 -0.05 0.54 2.46 0.23 -4.95 115.29 113.45 3gal s HIS 5 Ca 0.63 -0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.79 3gal s HIS 5 Cb -0.22 -1.47 0.04 0.00 -0.13 0.00 0.00 32.58 30.80 3gal s HIS 5 CO 0.63 0.13 0.09 0.15 -2.47 0.00 0.00 174.74 173.27 3gal s LYS 6 N -1.08 -0.01 0.03 2.88 1.02 -1.26 -0.67 119.74 120.66 3gal s LYS 6 Ca 0.12 0.36 0.05 0.00 0.02 0.00 0.00 55.97 56.52 3gal s LYS 6 Cb -0.10 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.88 3gal s LYS 6 CO 0.02 -0.24 -0.14 -1.12 -0.92 0.00 0.00 175.35 172.95 3gal s SER 7 N 1.64 1.69 0.18 2.83 0.01 -0.40 -4.97 113.70 114.67 3gal s SER 7 Ca -0.03 -0.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.76 3gal s SER 7 Cb -0.12 -0.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 3gal s SER 7 CO -0.04 0.07 0.44 -0.44 0.41 0.00 0.00 173.24 173.69 3gal s SER 8 N -0.93 6.53 -0.53 2.44 0.01 -1.26 -0.80 113.70 119.17 3gal s SER 8 Ca 0.03 0.71 0.05 0.00 1.31 0.00 0.00 55.95 58.04 3gal s SER 8 Cb -0.07 -2.14 0.18 0.00 0.21 0.00 0.00 66.02 64.20 3gal s SER 8 CO 0.01 -0.00 0.43 0.18 0.41 0.00 0.00 173.24 174.26 3gal n LEU 9 N -0.05 1.02 -0.34 2.44 4.77 -0.63 -4.93 117.00 119.28 3gal n LEU 9 Ca -0.01 -4.75 0.11 0.00 -0.03 0.00 0.00 56.01 51.32 3gal n LEU 9 Cb 0.52 0.03 0.31 0.00 -2.33 0.00 0.00 43.42 41.95 3gal n LEU 9 CO 0.47 1.85 1.22 1.55 -1.33 0.00 0.00 177.39 181.15 3gal h PRO 10 N 5.35 0.81 0.00 3.23 0.13 -1.92 -1.11 132.00 138.50 3gal h PRO 10 Ca 0.21 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gal h PRO 10 Cb 0.84 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3gal h PRO 10 CO 0.52 0.54 -1.03 0.39 -0.23 0.00 0.00 178.00 178.20 3gal n GLU 11 N -4.65 0.48 0.00 0.86 1.02 -1.26 -5.07 120.64 112.02 3gal n GLU 11 Ca 0.20 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3gal n GLU 11 Cb 0.46 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3gal n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gal n GLY 12 N 1.26 -1.86 3.27 0.62 0.00 -0.42 -5.00 105.19 103.05 3gal n GLY 12 Ca 0.01 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.85 3gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gal s ILE 13 N 0.00 1.49 0.26 -0.61 -4.36 -1.25 -4.92 121.20 111.81 3gal s ILE 13 Ca 0.00 -1.73 0.07 0.00 -0.26 0.00 0.00 60.65 58.73 3gal s ILE 13 Cb 0.00 -1.59 -0.06 0.00 1.25 0.00 0.00 42.46 42.06 3gal s ILE 13 CO 0.00 -0.34 -0.07 -0.13 0.24 0.00 0.00 174.94 174.63 3gal s ARG 14 N -2.58 1.50 0.29 0.37 3.00 -1.26 -4.38 118.95 115.89 3gal s ARG 14 Ca 0.10 -1.74 -0.30 0.00 0.00 0.00 0.00 55.73 53.79 3gal s ARG 14 Cb -0.06 -1.13 -0.11 0.00 0.00 0.00 0.00 34.95 33.66 3gal s ARG 14 CO 0.04 0.06 1.55 -2.14 0.00 0.00 0.00 175.30 174.81 3gal s PRO 15 N -3.72 4.15 0.00 3.54 0.02 -1.26 -1.57 135.00 136.16 3gal s PRO 15 Ca 0.28 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.82 3gal s PRO 15 Cb 0.03 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3gal s PRO 15 CO 0.11 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3gal n GLY 16 N 2.01 0.56 3.75 0.52 0.00 0.81 -4.98 105.19 107.86 3gal n GLY 16 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gal s THR 17 N -2.00 4.50 -0.05 2.61 2.01 -0.61 -4.92 115.64 117.18 3gal s THR 17 Ca 0.00 1.77 0.03 0.00 0.31 0.00 0.00 61.69 63.80 3gal s THR 17 Cb 0.00 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.34 3gal s THR 17 CO 0.00 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.54 3gal s VAL 18 N -0.56 1.14 -0.24 3.82 1.01 0.53 -1.28 120.40 124.83 3gal s VAL 18 Ca 0.39 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 3gal s VAL 18 Cb -0.22 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3gal s VAL 18 CO 0.26 0.35 -0.00 -0.22 0.00 0.00 0.00 175.10 175.49 3gal s LEU 19 N 0.42 3.14 -0.13 3.92 0.20 0.03 0.68 118.68 126.94 3gal s LEU 19 Ca -0.10 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.31 3gal s LEU 19 Cb -0.13 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 3gal s LEU 19 CO 0.03 -0.05 -0.14 -0.60 -0.29 0.00 0.00 176.35 175.30 3gal s ARG 20 N 1.50 3.34 -0.11 1.98 3.52 0.83 -0.13 118.95 129.89 3gal s ARG 20 Ca 0.05 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 3gal s ARG 20 Cb -0.15 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 3gal s ARG 20 CO -0.01 0.18 -0.11 0.42 -0.81 0.00 0.00 175.30 174.97 3gal s ILE 21 N 0.43 1.20 0.01 4.11 1.01 0.24 -0.39 121.20 127.82 3gal s ILE 21 Ca -0.10 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3gal s ILE 21 Cb -0.16 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 3gal s ILE 21 CO 0.05 0.39 -0.19 -0.13 0.00 0.00 0.00 174.94 175.06 3gal s ARG 22 N 1.35 1.40 0.00 2.79 0.52 -0.46 -0.54 118.95 124.01 3gal s ARG 22 Ca -0.01 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 3gal s ARG 22 Cb -0.14 -1.40 0.00 0.00 0.52 0.00 0.00 34.95 33.93 3gal s ARG 22 CO -0.05 0.37 0.00 0.41 0.02 0.00 0.00 175.30 176.05 3gal n GLY 23 N 2.32 -0.56 3.03 -3.53 0.00 -1.09 0.51 105.19 105.87 3gal n GLY 23 Ca -0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3gal n GLY 23 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gal s LEU 24 N 0.00 1.74 -0.62 0.99 2.34 0.21 -0.15 118.68 123.19 3gal s LEU 24 Ca 0.00 -0.11 -0.25 0.00 0.06 0.00 0.00 54.13 53.82 3gal s LEU 24 Cb 0.00 0.41 0.04 0.00 -0.56 0.00 0.00 46.19 46.08 3gal s LEU 24 CO 0.00 -0.22 1.08 -0.69 -1.06 0.00 0.00 176.35 175.46 3gal s VAL 25 N -0.83 4.14 1.35 1.48 1.01 -1.03 -0.86 120.40 125.66 3gal s VAL 25 Ca -0.09 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 3gal s VAL 25 Cb -0.05 -4.70 0.33 0.00 0.00 0.00 0.00 36.38 31.96 3gal s VAL 25 CO 0.00 -1.40 0.82 -2.65 0.00 0.00 0.00 175.10 171.88 3gal n PRO 26 N 8.16 -3.92 -2.99 2.72 -0.02 -1.26 0.31 135.00 138.00 3gal n PRO 26 Ca 0.02 -1.15 -0.37 0.00 -2.02 0.00 0.00 63.50 59.98 3gal n PRO 26 Cb 0.48 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 3gal n PRO 26 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3gal s PRO 27 N -4.66 4.41 0.00 0.52 0.05 -1.26 -2.97 135.00 131.09 3gal s PRO 27 Ca 0.65 1.05 0.00 0.00 0.05 0.00 0.00 61.00 62.75 3gal s PRO 27 Cb -0.15 -2.96 0.00 0.00 0.05 0.00 0.00 34.50 31.43 3gal s PRO 27 CO 0.58 0.41 0.00 0.09 0.05 0.00 0.00 177.00 178.13 3gal n ASN 28 N 0.91 0.00 -4.48 6.66 5.03 -1.26 -4.97 115.26 117.15 3gal n ASN 28 Ca -0.02 0.00 -0.56 0.00 0.87 0.00 0.00 54.58 54.86 3gal n ASN 28 Cb 0.50 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.19 3gal n ASN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gal n ALA 29 N 0.00 -3.39 -0.08 5.41 0.00 -1.18 -4.86 120.51 116.41 3gal n ALA 29 Ca 0.00 0.56 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 3gal n ALA 29 Cb 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 3gal n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gal n SER 30 N 1.63 2.16 0.00 0.00 7.64 -1.26 -4.62 113.62 119.17 3gal n SER 30 Ca 0.19 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3gal n SER 30 Cb 0.12 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 3gal n SER 30 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3gal n ARG 31 N -2.75 0.00 -4.31 1.43 1.85 -1.26 0.12 116.66 111.74 3gal n ARG 31 Ca -0.26 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.39 3gal n ARG 31 Cb 0.88 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 32.21 3gal n ARG 31 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3gal s PHE 32 N -2.00 1.72 0.13 2.89 -0.71 -0.97 -1.16 117.98 117.89 3gal s PHE 32 Ca 0.00 -1.60 -0.13 0.00 -1.04 0.00 0.00 56.93 54.17 3gal s PHE 32 Cb 0.00 -0.76 0.01 0.00 -1.21 0.00 0.00 43.02 41.06 3gal s PHE 32 CO 0.00 -0.78 0.33 -3.38 -1.34 0.00 0.00 175.22 170.05 3gal s HIS 33 N -3.47 0.03 -0.08 3.49 -3.43 0.35 -2.70 115.29 109.48 3gal s HIS 33 Ca 0.38 -0.40 0.01 0.00 -0.80 0.00 0.00 55.06 54.26 3gal s HIS 33 Cb 0.03 0.12 0.02 0.00 -1.43 0.00 0.00 32.58 31.32 3gal s HIS 33 CO 0.25 -0.69 -0.09 0.08 -2.00 0.00 0.00 174.74 172.29 3gal s VAL 34 N -3.86 0.99 -0.04 -5.38 1.01 0.11 -2.20 120.40 111.03 3gal s VAL 34 Ca 0.07 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3gal s VAL 34 Cb 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3gal s VAL 34 CO -0.08 0.34 -0.23 0.20 0.00 0.00 0.00 175.10 175.32 3gal s ASN 35 N 1.09 2.80 -0.35 3.32 0.01 0.10 -1.11 114.94 120.80 3gal s ASN 35 Ca -0.07 -0.45 -0.05 0.00 -0.71 0.00 0.00 52.86 51.59 3gal s ASN 35 Cb -0.14 -0.54 0.06 0.00 0.41 0.00 0.00 41.25 41.04 3gal s ASN 35 CO -0.01 0.26 0.11 -0.76 -1.51 0.00 0.00 177.10 175.19 3gal s LEU 36 N -0.34 4.49 0.06 0.60 1.43 -0.11 -1.21 118.68 123.60 3gal s LEU 36 Ca 0.03 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 3gal s LEU 36 Cb -0.11 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3gal s LEU 36 CO 0.01 -0.38 0.21 -0.76 0.23 0.00 0.00 176.35 175.66 3gal s LEU 37 N 1.30 4.35 -0.02 1.79 1.43 0.22 -0.77 118.68 126.98 3gal s LEU 37 Ca -0.00 0.26 0.16 0.00 -1.03 0.00 0.00 54.13 53.53 3gal s LEU 37 Cb -0.21 -2.95 0.51 0.00 0.03 0.00 0.00 46.19 43.57 3gal s LEU 37 CO -0.00 0.17 1.41 0.00 0.23 0.00 0.00 176.35 178.16 3gal n GLY 39 N 1.28 2.16 0.01 0.00 0.00 -1.26 -4.63 105.19 102.74 3gal n GLY 39 Ca 0.19 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.96 3gal n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gal n GLU 40 N -0.28 0.27 0.00 1.61 1.02 -1.26 -4.40 120.64 117.60 3gal n GLU 40 Ca -0.02 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3gal n GLU 40 Cb 0.30 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3gal n GLU 40 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gal n GLU 41 N -1.84 3.35 -3.24 3.49 1.02 -1.26 -5.07 120.64 117.10 3gal n GLU 41 Ca 0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 3gal n GLU 41 Cb 0.43 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.80 3gal n GLU 41 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3gal s GLN 42 N 2.95 3.79 0.00 3.49 0.74 -1.26 -4.02 119.66 125.36 3gal s GLN 42 Ca 0.00 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.73 3gal s GLN 42 Cb 0.00 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.55 3gal s GLN 42 CO 0.00 0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 3gal n GLY 43 N -0.59 0.00 3.77 2.59 0.00 -1.26 -4.92 105.19 104.77 3gal n GLY 43 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gal n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gal s SER 44 N -1.96 6.05 0.57 1.61 0.01 -1.26 -4.40 113.70 114.32 3gal s SER 44 Ca 0.00 2.79 -0.21 0.00 1.31 0.00 0.00 55.95 59.85 3gal s SER 44 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 3gal s SER 44 CO 0.00 -1.04 1.35 -1.81 0.41 0.00 0.00 173.24 172.15 3gal s ASP 45 N -0.63 5.08 -0.21 2.44 1.11 -1.26 -4.77 116.67 118.43 3gal s ASP 45 Ca 0.59 2.75 -0.00 0.00 0.18 0.00 0.00 52.55 56.08 3gal s ASP 45 Cb -0.41 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 40.97 3gal s ASP 45 CO 0.53 -1.70 -0.13 0.00 1.18 0.00 0.00 175.17 175.05 3gal s ALA 46 N -1.31 2.52 0.29 5.23 0.00 0.57 -0.79 121.76 128.26 3gal s ALA 46 Ca 0.74 -1.32 0.04 0.00 0.00 0.00 0.00 51.96 51.42 3gal s ALA 46 Cb -0.40 -1.43 0.44 0.00 0.00 0.00 0.00 23.12 21.73 3gal s ALA 46 CO 0.46 -0.56 1.73 0.00 0.00 0.00 0.00 175.76 177.39 3gal h ALA 47 N 7.97 1.12 -2.76 0.00 0.00 -1.22 -1.66 119.26 122.70 3gal h ALA 47 Ca -0.39 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.02 3gal h ALA 47 Cb 1.13 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.53 3gal h ALA 47 CO 0.60 0.55 -0.35 -1.17 0.00 0.00 0.00 179.25 178.88 3gal s LEU 48 N -8.57 0.09 -0.23 0.00 2.96 -1.17 -4.66 118.68 107.10 3gal s LEU 48 Ca -0.06 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3gal s LEU 48 Cb 0.14 1.17 0.05 0.00 0.50 0.00 0.00 46.19 48.05 3gal s LEU 48 CO 0.78 -0.18 -0.07 -2.28 -1.32 0.00 0.00 176.35 173.28 3gal s HIS 49 N 1.30 2.46 -0.34 5.38 5.65 0.14 -0.94 115.29 128.94 3gal s HIS 49 Ca -0.09 -1.75 -0.07 0.00 0.25 0.00 0.00 55.06 53.41 3gal s HIS 49 Cb -0.09 -1.62 0.04 0.00 -1.18 0.00 0.00 32.58 29.73 3gal s HIS 49 CO -0.11 -0.77 0.11 0.12 -0.65 0.00 0.00 174.74 173.44 3gal s PHE 50 N 1.37 3.25 -0.38 3.88 5.36 -0.27 -1.53 117.98 129.67 3gal s PHE 50 Ca -0.05 -1.40 0.02 0.00 -0.96 0.00 0.00 56.93 54.54 3gal s PHE 50 Cb -0.18 -2.28 0.11 0.00 -0.34 0.00 0.00 43.02 40.33 3gal s PHE 50 CO -0.07 -0.72 0.15 1.21 -1.46 0.00 0.00 175.22 174.33 3gal s ASN 51 N 1.41 4.08 -0.31 6.13 3.04 0.24 -0.71 114.94 128.82 3gal s ASN 51 Ca -0.01 -2.21 -0.29 0.00 0.04 0.00 0.00 52.86 50.39 3gal s ASN 51 Cb -0.19 -1.15 0.02 0.00 -1.54 0.00 0.00 41.25 38.38 3gal s ASN 51 CO 0.03 -0.34 1.09 -2.84 -3.04 0.00 0.00 177.10 172.00 3gal s PRO 52 N 0.86 4.07 -0.42 0.43 0.02 -1.10 -0.06 135.00 138.80 3gal s PRO 52 Ca 0.13 1.10 -0.14 0.00 0.02 0.00 0.00 61.00 62.12 3gal s PRO 52 Cb -0.21 -3.74 0.05 0.00 0.02 0.00 0.00 34.50 30.62 3gal s PRO 52 CO -0.11 -0.90 0.31 1.03 -0.33 0.00 0.00 177.00 177.00 3gal s ARG 53 N 3.66 2.90 -0.00 5.54 0.52 0.63 -2.29 118.95 129.90 3gal s ARG 53 Ca 0.46 -1.20 -0.04 0.00 -0.52 0.00 0.00 55.73 54.43 3gal s ARG 53 Cb -0.13 -3.96 -0.02 0.00 0.52 0.00 0.00 34.95 31.37 3gal s ARG 53 CO 0.15 -0.86 0.55 -0.07 0.02 0.00 0.00 175.30 175.10 3gal h LEU 54 N 8.60 -0.12 -1.26 2.53 -0.00 0.65 0.64 115.31 126.35 3gal h LEU 54 Ca -0.27 0.00 0.43 0.00 -0.00 0.00 0.00 57.88 58.05 3gal h LEU 54 Cb 1.11 0.03 -0.15 0.00 -0.00 0.00 0.00 40.66 41.65 3gal h LEU 54 CO 0.77 -0.03 0.76 -2.24 -0.00 0.00 0.00 178.44 177.70 3gal h ASP 55 N -0.24 0.28 -0.31 -0.43 3.04 -1.57 1.13 116.42 118.31 3gal h ASP 55 Ca -0.01 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 3gal h ASP 55 Cb 0.11 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.57 3gal h ASP 55 CO 0.02 -0.26 0.00 0.35 -2.04 0.00 0.00 179.24 177.31 3gal n THR 56 N -4.88 0.39 -3.46 1.15 -2.24 -1.24 -5.00 114.28 99.01 3gal n THR 56 Ca 0.38 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 61.17 3gal n THR 56 Cb 1.39 0.99 0.03 0.00 -2.10 0.00 0.00 70.33 70.64 3gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gal n SER 57 N 1.35 -5.76 -3.64 3.42 7.64 0.39 -4.99 113.62 112.03 3gal n SER 57 Ca 0.18 -0.19 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 3gal n SER 57 Cb 0.58 -2.20 -0.07 0.00 -1.01 0.00 0.00 64.21 61.51 3gal n SER 57 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3gal s GLU 58 N -2.86 0.43 -0.23 1.43 2.12 0.04 -4.89 118.70 114.74 3gal s GLU 58 Ca 0.30 0.57 0.02 0.00 0.36 0.00 0.00 54.97 56.22 3gal s GLU 58 Cb -0.04 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.57 3gal s GLU 58 CO 0.86 -0.06 -0.14 0.08 -0.54 0.00 0.00 175.26 175.46 3gal s VAL 59 N 0.54 2.18 -0.06 3.70 1.01 -1.26 0.23 120.40 126.75 3gal s VAL 59 Ca -0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 3gal s VAL 59 Cb -0.05 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3gal s VAL 59 CO -0.10 0.23 0.04 -0.69 0.00 0.00 0.00 175.10 174.58 3gal s VAL 60 N 1.20 4.53 0.02 2.92 1.01 0.91 0.16 120.40 131.15 3gal s VAL 60 Ca -0.02 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3gal s VAL 60 Cb -0.17 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3gal s VAL 60 CO -0.08 0.51 -0.24 -0.36 0.00 0.00 0.00 175.10 174.93 3gal s PHE 61 N -1.01 2.09 0.00 5.22 0.40 0.21 0.79 117.98 125.68 3gal s PHE 61 Ca 0.17 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.81 3gal s PHE 61 Cb -0.12 -1.30 0.11 0.00 0.51 0.00 0.00 43.02 42.23 3gal s PHE 61 CO 0.07 0.04 1.26 1.21 0.70 0.00 0.00 175.22 178.50 3gal s ASN 62 N -0.91 -0.04 0.30 1.36 3.84 -0.58 -0.08 114.94 118.83 3gal s ASN 62 Ca 0.09 -0.20 0.04 0.00 0.21 0.00 0.00 52.86 53.01 3gal s ASN 62 Cb -0.09 0.19 -0.06 0.00 -0.55 0.00 0.00 41.25 40.73 3gal s ASN 62 CO 0.01 -0.35 0.03 -0.94 -2.79 0.00 0.00 177.10 173.05 3gal s SER 63 N -3.26 2.27 -0.04 -4.21 1.04 -1.26 0.26 113.70 108.50 3gal s SER 63 Ca 0.19 -1.32 0.02 0.00 0.48 0.00 0.00 55.95 55.32 3gal s SER 63 Cb 0.03 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.09 3gal s SER 63 CO -0.02 -0.56 -0.07 -0.75 0.98 0.00 0.00 173.24 172.83 3gal s LYS 64 N -3.87 1.00 -0.05 4.02 2.20 -0.63 -1.43 119.74 120.99 3gal s LYS 64 Ca 0.34 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 3gal s LYS 64 Cb 0.07 -0.94 0.03 0.00 -1.51 0.00 0.00 37.83 35.48 3gal s LYS 64 CO 0.14 -0.02 0.01 -2.00 -0.36 0.00 0.00 175.35 173.12 3gal s GLU 65 N 0.71 0.39 -1.31 4.03 2.12 -0.04 -0.31 118.70 124.28 3gal s GLU 65 Ca -0.11 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.35 3gal s GLU 65 Cb -0.14 -0.75 0.01 0.00 0.26 0.00 0.00 34.13 33.52 3gal s GLU 65 CO 0.01 -0.26 0.87 1.04 -0.54 0.00 0.00 175.26 176.38 3gal n GLN 66 N 4.91 -5.76 -0.88 4.30 3.00 -1.26 -2.25 117.38 119.44 3gal n GLN 66 Ca -0.11 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 3gal n GLN 66 Cb 0.50 -5.48 0.00 0.00 0.00 0.00 0.00 30.24 25.26 3gal n GLN 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gal n GLY 67 N -1.51 0.65 3.13 1.08 0.00 -1.26 -5.00 105.19 102.27 3gal n GLY 67 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3gal n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gal s SER 68 N -2.59 1.84 0.57 1.61 1.04 -0.95 -5.13 113.70 110.08 3gal s SER 68 Ca 0.00 -0.29 -0.18 0.00 0.48 0.00 0.00 55.95 55.96 3gal s SER 68 Cb 0.00 -0.26 -0.04 0.00 0.10 0.00 0.00 66.02 65.82 3gal s SER 68 CO 0.00 0.18 1.11 0.26 0.98 0.00 0.00 173.24 175.77 3gal s TRP 69 N -0.28 2.72 0.00 5.02 0.52 -1.26 -0.86 118.94 124.79 3gal s TRP 69 Ca 0.04 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.71 3gal s TRP 69 Cb -0.07 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 3gal s TRP 69 CO -0.00 -1.49 0.00 0.41 0.02 0.00 0.00 176.95 175.89 3gal n GLY 70 N -0.17 1.65 3.67 0.98 0.00 -0.51 -4.90 105.19 105.91 3gal n GLY 70 Ca 0.11 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gal s ARG 71 N 2.83 4.21 0.32 1.61 3.52 -1.26 -4.85 118.95 125.33 3gal s ARG 71 Ca 0.00 2.02 -0.29 0.00 -0.13 0.00 0.00 55.73 57.33 3gal s ARG 71 Cb 0.00 -3.84 -0.10 0.00 -1.56 0.00 0.00 34.95 29.45 3gal s ARG 71 CO 0.00 -0.76 1.32 -2.00 -0.81 0.00 0.00 175.30 173.06 3gal s GLU 72 N 3.55 4.34 -0.01 5.12 2.12 -1.26 -4.76 118.70 127.80 3gal s GLU 72 Ca 0.67 2.22 0.08 0.00 0.36 0.00 0.00 54.97 58.31 3gal s GLU 72 Cb -0.30 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3gal s GLU 72 CO 0.25 -0.22 -0.26 -1.21 -0.54 0.00 0.00 175.26 173.28 3gal s GLU 73 N -1.56 2.08 0.11 4.30 2.02 0.89 -4.99 118.70 121.54 3gal s GLU 73 Ca 0.50 -0.95 0.09 0.00 0.02 0.00 0.00 54.97 54.64 3gal s GLU 73 Cb -0.40 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 3gal s GLU 73 CO 0.51 0.56 -0.22 1.03 0.02 0.00 0.00 175.26 177.16 3gal s ARG 74 N -0.68 1.69 -0.16 1.61 0.52 -1.26 0.63 118.95 121.30 3gal s ARG 74 Ca 0.10 -1.21 -0.17 0.00 -0.52 0.00 0.00 55.73 53.93 3gal s ARG 74 Cb -0.10 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 3gal s ARG 74 CO -0.01 0.48 0.46 0.20 0.02 0.00 0.00 175.30 176.45 3gal s GLY 75 N -1.94 2.24 -0.61 -3.53 0.00 0.42 -4.95 107.32 98.93 3gal s GLY 75 Ca 0.16 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.28 3gal s GLY 75 CO 0.07 0.83 2.38 -4.14 0.00 0.00 0.00 173.10 172.24 3gal s PRO 76 N 1.01 1.94 0.00 2.90 0.02 -1.26 -4.29 135.00 135.31 3gal s PRO 76 Ca 0.23 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.25 3gal s PRO 76 Cb -0.15 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.71 3gal s PRO 76 CO 0.09 -3.70 0.00 0.41 -0.33 0.00 0.00 177.00 173.48 3gal n GLY 77 N 6.31 0.33 2.80 0.52 0.00 -1.26 -4.85 105.19 109.03 3gal n GLY 77 Ca 0.40 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.31 3gal n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gal n VAL 78 N 0.57 1.79 0.00 1.61 0.31 -1.26 -4.45 118.33 116.89 3gal n VAL 78 Ca 0.00 -4.94 0.00 0.00 -0.01 0.00 0.00 64.34 59.39 3gal n VAL 78 Cb 0.00 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 30.76 3gal n VAL 78 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3gal n PRO 79 N 1.72 0.00 -4.29 5.55 -0.02 -1.26 -4.59 135.00 132.11 3gal n PRO 79 Ca 0.22 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.42 3gal n PRO 79 Cb 0.36 -1.11 -0.10 0.00 -0.02 0.00 0.00 33.50 32.63 3gal n PRO 79 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3gal s PHE 80 N -1.31 2.59 -0.05 6.00 0.40 -1.26 -5.04 117.98 119.31 3gal s PHE 80 Ca 0.00 -0.24 -0.02 0.00 -0.60 0.00 0.00 56.93 56.07 3gal s PHE 80 Cb 0.00 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.23 3gal s PHE 80 CO 0.00 0.45 0.11 -0.65 0.70 0.00 0.00 175.22 175.82 3gal s GLN 81 N -2.44 0.08 -0.01 0.44 -0.21 -1.26 -5.08 119.66 111.18 3gal s GLN 81 Ca 0.21 0.26 -0.38 0.00 0.02 0.00 0.00 55.36 55.47 3gal s GLN 81 Cb -0.10 -0.11 -0.17 0.00 1.00 0.00 0.00 33.01 33.63 3gal s GLN 81 CO 0.12 -0.11 1.44 0.54 -2.12 0.00 0.00 175.29 175.16 3gal n ARG 82 N 3.80 1.10 0.00 2.91 1.74 -1.26 -1.81 116.66 123.14 3gal n ARG 82 Ca -0.22 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3gal n ARG 82 Cb 0.54 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3gal n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gal n GLY 83 N 2.92 2.25 3.77 -0.13 0.00 0.91 -4.84 105.19 110.07 3gal n GLY 83 Ca 0.21 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gal s GLN 84 N 0.00 3.75 0.85 1.61 -1.52 -0.75 -4.58 119.66 119.02 3gal s GLN 84 Ca 0.00 1.89 -0.12 0.00 -1.95 0.00 0.00 55.36 55.18 3gal s GLN 84 Cb 0.00 -2.47 0.10 0.00 -0.22 0.00 0.00 33.01 30.42 3gal s GLN 84 CO 0.00 -0.59 1.12 -2.14 -0.25 0.00 0.00 175.29 173.44 3gal s PRO 85 N -2.60 1.64 0.24 2.91 0.02 -1.26 -2.47 135.00 133.48 3gal s PRO 85 Ca 0.63 0.42 -0.17 0.00 0.02 0.00 0.00 61.00 61.90 3gal s PRO 85 Cb -0.31 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.33 3gal s PRO 85 CO 0.39 -1.88 0.57 -0.59 -0.33 0.00 0.00 177.00 175.16 3gal s PHE 86 N -3.25 0.05 -0.09 6.54 -0.12 0.78 -4.89 117.98 116.99 3gal s PHE 86 Ca 0.62 -0.44 -0.04 0.00 -0.05 0.00 0.00 56.93 57.02 3gal s PHE 86 Cb -0.14 0.42 0.05 0.00 -0.63 0.00 0.00 43.02 42.71 3gal s PHE 86 CO 0.53 -1.06 0.20 -2.00 -0.05 0.00 0.00 175.22 172.85 3gal s GLU 87 N -3.95 0.13 -0.03 1.99 2.12 -1.26 -2.68 118.70 115.03 3gal s GLU 87 Ca 0.15 0.53 0.07 0.00 0.36 0.00 0.00 54.97 56.08 3gal s GLU 87 Cb -0.03 -0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.20 3gal s GLU 87 CO 0.05 -0.22 -0.24 0.08 -0.54 0.00 0.00 175.26 174.40 3gal s VAL 88 N 1.67 1.89 -0.13 3.70 1.01 0.30 -0.72 120.40 128.12 3gal s VAL 88 Ca -0.05 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.95 3gal s VAL 88 Cb -0.11 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.70 3gal s VAL 88 CO -0.07 0.53 -0.21 -0.76 0.00 0.00 0.00 175.10 174.59 3gal s LEU 89 N -0.45 2.19 -0.25 3.92 1.43 0.30 -0.59 118.68 125.24 3gal s LEU 89 Ca 0.06 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3gal s LEU 89 Cb -0.10 -1.46 0.04 0.00 0.03 0.00 0.00 46.19 44.70 3gal s LEU 89 CO 0.00 0.12 -0.09 -0.63 0.23 0.00 0.00 176.35 175.98 3gal s ILE 90 N 0.60 2.48 -0.21 -0.59 1.01 0.82 -1.00 121.20 124.31 3gal s ILE 90 Ca -0.12 -1.32 -0.07 0.00 0.00 0.00 0.00 60.65 59.15 3gal s ILE 90 Cb -0.16 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3gal s ILE 90 CO 0.03 0.11 0.06 -0.63 0.00 0.00 0.00 174.94 174.51 3gal s ILE 91 N 1.22 4.50 -0.24 2.92 1.01 0.25 -0.79 121.20 130.07 3gal s ILE 91 Ca -0.04 -0.12 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 3gal s ILE 91 Cb -0.18 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.23 3gal s ILE 91 CO -0.06 0.40 0.86 0.00 0.00 0.00 0.00 174.94 176.15 3gal s ALA 92 N 0.94 3.65 0.47 9.38 0.00 -0.40 -0.28 121.76 135.52 3gal s ALA 92 Ca 0.03 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3gal s ALA 92 Cb -0.14 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 3gal s ALA 92 CO 0.03 -0.94 0.31 0.45 0.00 0.00 0.00 175.76 175.61 3gal s SER 93 N 1.31 4.64 0.49 0.00 0.15 -0.01 -0.13 113.70 120.15 3gal s SER 93 Ca 0.36 -1.10 0.28 0.00 0.70 0.00 0.00 55.95 56.20 3gal s SER 93 Cb -0.15 -0.08 1.10 0.00 -1.71 0.00 0.00 66.02 65.18 3gal s SER 93 CO 0.07 -0.82 1.89 -2.24 1.20 0.00 0.00 173.24 173.34 3gal h ASP 94 N 1.04 0.00 0.00 5.45 2.03 -1.95 -3.30 116.42 119.69 3gal h ASP 94 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.90 3gal h ASP 94 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 3gal h ASP 94 CO 0.62 0.12 -0.22 -0.90 -1.03 0.00 0.00 179.24 177.82 3gal n ASP 95 N -3.26 0.34 -3.18 4.15 5.68 -1.26 -4.99 116.55 114.03 3gal n ASP 95 Ca 0.00 -0.57 -0.02 0.00 -0.50 0.00 0.00 54.79 53.71 3gal n ASP 95 Cb 0.38 1.01 0.02 0.00 -1.14 0.00 0.00 41.12 41.38 3gal n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gal n GLY 96 N 1.14 0.58 3.61 6.12 0.00 -1.24 -2.18 105.19 113.22 3gal n GLY 96 Ca 0.01 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 3gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gal s PHE 97 N -2.40 3.21 -0.23 1.61 0.08 0.71 -0.83 117.98 120.14 3gal s PHE 97 Ca 0.22 0.01 -0.10 0.00 0.12 0.00 0.00 56.93 57.18 3gal s PHE 97 Cb -0.02 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 3gal s PHE 97 CO 0.04 0.13 0.15 0.15 -0.10 0.00 0.00 175.22 175.59 3gal s LYS 98 N 0.33 4.08 -0.30 0.44 1.02 0.61 -0.50 119.74 125.43 3gal s LYS 98 Ca 0.02 -0.27 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 3gal s LYS 98 Cb -0.13 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 3gal s LYS 98 CO 0.01 0.12 0.15 0.00 -0.92 0.00 0.00 175.35 174.71 3gal s ALA 99 N 0.89 3.32 -0.22 5.17 0.00 0.14 -0.58 121.76 130.48 3gal s ALA 99 Ca 0.07 -1.30 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 3gal s ALA 99 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.62 3gal s ALA 99 CO 0.03 -0.79 -0.06 0.08 0.00 0.00 0.00 175.76 175.01 3gal s VAL 100 N 1.65 3.14 -0.30 0.00 1.01 -0.17 0.50 120.40 126.22 3gal s VAL 100 Ca 0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3gal s VAL 100 Cb -0.17 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.78 3gal s VAL 100 CO 0.07 0.39 0.08 -0.69 0.00 0.00 0.00 175.10 174.95 3gal s VAL 101 N 1.43 3.91 -0.21 2.92 1.01 -0.83 -0.54 120.40 128.09 3gal s VAL 101 Ca 0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3gal s VAL 101 Cb -0.14 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3gal s VAL 101 CO -0.05 0.05 0.29 0.61 0.00 0.00 0.00 175.10 176.00 3gal n GLY 102 N 4.85 0.01 1.59 4.51 0.00 0.11 -2.53 105.19 113.74 3gal n GLY 102 Ca -0.14 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gal n ASP 103 N 0.33 0.00 -4.68 1.61 8.00 -1.26 -5.01 116.55 115.55 3gal n ASP 103 Ca -0.05 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.11 3gal n ASP 103 Cb 0.30 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.31 3gal n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gal s ALA 104 N -0.70 3.26 0.87 2.24 0.00 -1.05 -5.08 121.76 121.31 3gal s ALA 104 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 51.96 50.99 3gal s ALA 104 Cb 0.00 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.83 3gal s ALA 104 CO 0.00 0.61 1.14 -1.14 0.00 0.00 0.00 175.76 176.37 3gal s GLN 105 N -1.14 1.32 0.00 0.00 0.74 -1.26 -1.96 119.66 117.36 3gal s GLN 105 Ca 0.16 1.50 0.00 0.00 0.05 0.00 0.00 55.36 57.07 3gal s GLN 105 Cb -0.11 -1.77 0.00 0.00 1.10 0.00 0.00 33.01 32.23 3gal s GLN 105 CO 0.05 -2.40 0.00 0.98 -0.55 0.00 0.00 175.29 173.38 3gal n TYR 106 N -3.99 0.00 -3.60 1.67 9.36 0.18 -4.72 117.16 116.06 3gal n TYR 106 Ca 0.11 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.25 3gal n TYR 106 Cb 0.52 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.18 3gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3gal s HIS 107 N -1.41 -0.30 -0.12 2.98 2.46 -1.10 -4.69 115.29 113.11 3gal s HIS 107 Ca 0.00 0.55 0.02 0.00 0.47 0.00 0.00 55.06 56.10 3gal s HIS 107 Cb 0.00 0.45 -0.00 0.00 -0.13 0.00 0.00 32.58 32.90 3gal s HIS 107 CO 0.00 -0.25 -0.20 -1.58 -2.47 0.00 0.00 174.74 170.25 3gal s HIS 108 N -0.86 2.67 -0.31 3.88 2.46 -1.26 -0.68 115.29 121.19 3gal s HIS 108 Ca 0.02 -0.94 -0.02 0.00 0.47 0.00 0.00 55.06 54.58 3gal s HIS 108 Cb -0.01 -1.78 0.05 0.00 -0.13 0.00 0.00 32.58 30.71 3gal s HIS 108 CO -0.02 -0.37 0.01 0.12 -2.47 0.00 0.00 174.74 172.01 3gal s PHE 109 N 0.42 3.27 0.12 3.88 5.36 0.35 -4.93 117.98 126.45 3gal s PHE 109 Ca -0.14 -1.83 -0.35 0.00 -0.96 0.00 0.00 56.93 53.65 3gal s PHE 109 Cb -0.17 -2.14 -0.14 0.00 -0.34 0.00 0.00 43.02 40.23 3gal s PHE 109 CO 0.06 -0.80 1.56 -2.13 -1.46 0.00 0.00 175.22 172.45 3gal n ARG 110 N 4.64 1.95 -1.67 10.12 3.00 -1.26 -0.21 116.66 133.24 3gal n ARG 110 Ca -0.13 0.70 -0.42 0.00 -0.00 0.00 0.00 57.85 58.00 3gal n ARG 110 Cb 0.43 -2.45 -0.03 0.00 0.00 0.00 0.00 32.46 30.41 3gal n ARG 110 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3gal s HIS 111 N 1.08 1.27 -0.16 -0.14 3.76 -0.93 -4.84 115.29 115.33 3gal s HIS 111 Ca 0.81 -0.36 0.14 0.00 -0.15 0.00 0.00 55.06 55.50 3gal s HIS 111 Cb -0.74 -4.21 -0.24 0.00 1.11 0.00 0.00 32.58 28.50 3gal s HIS 111 CO 0.41 -5.43 0.20 0.54 -0.85 0.00 0.00 174.74 169.62 3gal n ARG 112 N 7.66 0.67 -4.38 1.40 1.74 -1.26 -4.94 116.66 117.56 3gal n ARG 112 Ca 0.21 0.10 -0.24 0.00 -0.77 0.00 0.00 57.85 57.15 3gal n ARG 112 Cb 0.41 -1.60 -0.09 0.00 -1.02 0.00 0.00 32.46 30.17 3gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gal s LEU 113 N -5.82 2.91 0.17 0.55 1.43 -1.26 -5.10 118.68 111.55 3gal s LEU 113 Ca -0.12 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 51.81 3gal s LEU 113 Cb 0.07 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.82 3gal s LEU 113 CO 0.80 -0.03 1.31 -2.84 0.23 0.00 0.00 176.35 175.82 3gal s PRO 114 N -3.62 4.38 0.36 1.29 0.02 -1.26 -4.90 135.00 131.28 3gal s PRO 114 Ca 0.31 2.03 0.10 0.00 0.02 0.00 0.00 61.00 63.46 3gal s PRO 114 Cb -0.05 -3.22 0.84 0.00 0.02 0.00 0.00 34.50 32.09 3gal s PRO 114 CO 0.18 -0.29 1.87 -0.07 -0.33 0.00 0.00 177.00 178.36 3gal h LEU 115 N 5.81 0.63 -2.01 -5.54 3.38 -1.99 -1.12 115.31 114.47 3gal h LEU 115 Ca -0.44 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.66 3gal h LEU 115 Cb 1.21 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3gal h LEU 115 CO 0.80 0.32 0.23 0.00 0.09 0.00 0.00 178.44 179.87 3gal h ALA 116 N 1.60 2.27 0.00 1.53 0.00 -1.91 -2.20 119.26 120.56 3gal h ALA 116 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gal h ALA 116 Cb 0.73 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3gal h ALA 116 CO -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 179.25 178.67 3gal h ARG 117 N 0.00 0.00 -6.64 0.00 3.08 -1.58 -3.45 114.38 105.79 3gal h ARG 117 Ca 0.15 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.67 3gal h ARG 117 Cb 0.59 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.69 3gal h ARG 117 CO -0.00 0.00 0.81 0.08 -1.07 0.00 0.00 179.97 179.79 3gal s VAL 118 N -3.46 2.76 0.00 2.04 1.01 -0.83 -4.27 120.40 117.65 3gal s VAL 118 Ca 0.04 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.59 3gal s VAL 118 Cb 0.08 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3gal s VAL 118 CO 0.59 0.06 0.00 0.54 0.00 0.00 0.00 175.10 176.29 3gal n ARG 119 N 3.44 3.22 -3.70 2.72 5.12 0.99 -4.12 116.66 124.34 3gal n ARG 119 Ca 0.11 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.89 3gal n ARG 119 Cb 0.40 -0.45 -0.08 0.00 -1.16 0.00 0.00 32.46 31.16 3gal n ARG 119 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3gal s LEU 120 N -1.11 0.37 -0.06 0.55 2.96 -0.81 -1.60 118.68 118.97 3gal s LEU 120 Ca 0.00 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 3gal s LEU 120 Cb 0.00 1.61 -0.03 0.00 0.50 0.00 0.00 46.19 48.27 3gal s LEU 120 CO 0.00 -0.39 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.82 3gal s VAL 121 N -0.82 3.19 -0.04 1.68 1.01 0.02 -0.61 120.40 124.83 3gal s VAL 121 Ca -0.09 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3gal s VAL 121 Cb -0.04 -2.27 0.03 0.00 0.00 0.00 0.00 36.38 34.10 3gal s VAL 121 CO 0.04 0.58 0.08 -1.83 0.00 0.00 0.00 175.10 173.98 3gal s GLU 122 N -0.59 0.03 -0.05 2.72 -1.05 -0.35 -1.28 118.70 118.13 3gal s GLU 122 Ca 0.09 0.25 0.05 0.00 -0.15 0.00 0.00 54.97 55.21 3gal s GLU 122 Cb -0.11 -0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 33.39 3gal s GLU 122 CO 0.01 -0.15 -0.21 0.08 0.95 0.00 0.00 175.26 175.94 3gal s VAL 123 N 0.97 1.75 0.17 1.83 1.01 0.16 0.02 120.40 126.31 3gal s VAL 123 Ca -0.08 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.81 3gal s VAL 123 Cb -0.11 -1.48 0.07 0.00 0.00 0.00 0.00 36.38 34.86 3gal s VAL 123 CO -0.04 0.49 0.89 0.61 0.00 0.00 0.00 175.10 177.06 3gal n GLY 124 N 2.96 0.71 0.00 4.51 0.00 -0.94 0.76 105.19 113.20 3gal n GLY 124 Ca -0.17 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gal n GLY 125 N -0.63 -1.15 3.53 -0.02 0.00 -1.26 -0.50 105.19 105.16 3gal n GLY 125 Ca -0.02 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 3gal n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gal s ASP 126 N -4.00 6.55 -0.28 1.61 1.01 -0.31 -4.90 116.67 116.35 3gal s ASP 126 Ca 0.00 -1.64 -0.20 0.00 0.71 0.00 0.00 52.55 51.42 3gal s ASP 126 Cb 0.00 -2.52 0.11 0.00 1.01 0.00 0.00 42.92 41.51 3gal s ASP 126 CO 0.00 -1.38 0.87 0.54 0.21 0.00 0.00 175.17 175.41 3gal s VAL 127 N 4.34 0.00 -0.28 -1.27 0.11 -1.26 -4.48 120.40 117.56 3gal s VAL 127 Ca 0.43 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.32 3gal s VAL 127 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 3gal s VAL 127 CO -0.09 0.00 0.42 -1.10 -3.33 0.00 0.00 175.10 171.00 3gal s GLN 128 N 0.96 3.95 -0.26 1.54 -0.21 -0.04 -4.73 119.66 120.88 3gal s GLN 128 Ca -0.05 0.05 -0.18 0.00 0.02 0.00 0.00 55.36 55.21 3gal s GLN 128 Cb -0.05 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 30.26 3gal s GLN 128 CO -0.11 -0.35 0.53 -0.51 -2.12 0.00 0.00 175.29 172.72 3gal s LEU 129 N 2.16 4.05 -0.12 2.90 1.02 -1.26 -0.62 118.68 126.82 3gal s LEU 129 Ca 0.17 0.54 -0.17 0.00 0.02 0.00 0.00 54.13 54.69 3gal s LEU 129 Cb -0.16 -2.68 -0.26 0.00 0.02 0.00 0.00 46.19 43.10 3gal s LEU 129 CO 0.10 -0.29 0.55 -0.78 0.02 0.00 0.00 176.35 175.94 3gal h ASP 130 N 8.00 0.32 -4.69 2.29 1.82 -0.28 -3.47 116.42 120.39 3gal h ASP 130 Ca -0.29 -0.83 0.00 0.00 -0.39 0.00 0.00 57.03 55.52 3gal h ASP 130 Cb 1.14 -0.10 -0.19 0.00 0.68 0.00 0.00 39.33 40.85 3gal h ASP 130 CO 0.72 1.55 0.33 -0.94 -1.61 0.00 0.00 179.24 179.29 3gal s SER 131 N -6.95 -0.54 -0.05 2.28 1.04 -0.48 -4.99 113.70 104.01 3gal s SER 131 Ca -0.21 0.50 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 3gal s SER 131 Cb 0.04 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.65 3gal s SER 131 CO 0.74 -0.56 0.06 -0.69 0.98 0.00 0.00 173.24 173.78 3gal s VAL 132 N -1.52 -0.11 0.09 5.02 1.01 -1.26 -1.35 120.40 122.28 3gal s VAL 132 Ca -0.06 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.35 3gal s VAL 132 Cb -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3gal s VAL 132 CO 0.04 0.14 -0.15 -0.13 0.00 0.00 0.00 175.10 174.99 3gal s ARG 133 N 2.17 0.92 -0.19 2.72 1.81 0.48 -4.96 118.95 121.89 3gal s ARG 133 Ca 0.05 -1.06 0.01 0.00 -1.72 0.00 0.00 55.73 53.01 3gal s ARG 133 Cb -0.12 -0.93 0.02 0.00 -0.45 0.00 0.00 34.95 33.47 3gal s ARG 133 CO -0.04 0.20 -0.18 0.42 -0.68 0.00 0.00 175.30 175.02 3gal s ILE 134 N -1.48 2.12 -1.34 1.52 1.09 -1.26 -0.12 121.20 121.72 3gal s ILE 134 Ca 0.02 -1.01 0.11 0.00 -1.10 0.00 0.00 60.65 58.66 3gal s ILE 134 Cb -0.09 -1.94 0.09 0.00 -1.06 0.00 0.00 42.46 39.46 3gal s ILE 134 CO 0.03 0.46 0.84 0.49 -0.10 0.00 0.00 174.94 176.66