#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5gal n HIS 5 N 0.00 1.75 -3.90 0.54 -0.00 0.48 -4.79 115.22 109.30 5gal n HIS 5 Ca 0.00 0.54 -0.11 0.00 0.46 0.00 0.00 57.72 58.61 5gal n HIS 5 Cb 0.00 -2.32 -0.12 0.00 -0.12 0.00 0.00 29.99 27.43 5gal n HIS 5 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 5gal s LYS 6 N -2.06 0.26 -0.28 1.57 1.02 -1.26 -1.33 119.74 117.66 5gal s LYS 6 Ca 0.61 -0.27 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 5gal s LYS 6 Cb -0.55 0.11 0.10 0.00 -0.52 0.00 0.00 37.83 36.97 5gal s LYS 6 CO 0.58 -0.05 0.80 -1.54 -0.92 0.00 0.00 175.35 174.22 5gal s SER 7 N -0.83 -0.76 0.82 2.83 1.04 -0.68 -4.99 113.70 111.14 5gal s SER 7 Ca -0.09 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.48 5gal s SER 7 Cb -0.06 1.30 0.09 0.00 0.10 0.00 0.00 66.02 67.45 5gal s SER 7 CO 0.00 -0.20 1.09 -0.44 0.98 0.00 0.00 173.24 174.67 5gal s SER 8 N 1.28 4.16 -0.52 7.02 0.01 -1.26 -0.43 113.70 123.97 5gal s SER 8 Ca -0.07 1.48 0.01 0.00 1.31 0.00 0.00 55.95 58.69 5gal s SER 8 Cb -0.05 -2.21 0.13 0.00 0.21 0.00 0.00 66.02 64.11 5gal s SER 8 CO -0.15 -2.20 0.28 -0.76 0.41 0.00 0.00 173.24 170.82 5gal s LEU 9 N -5.96 4.72 0.15 2.44 1.43 -0.06 -4.80 118.68 116.60 5gal s LEU 9 Ca 0.62 -2.78 -0.32 0.00 -1.03 0.00 0.00 54.13 50.62 5gal s LEU 9 Cb -0.16 -1.72 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 5gal s LEU 9 CO 0.56 -0.31 1.54 -0.65 0.23 0.00 0.00 176.35 177.71 5gal h PRO 10 N 6.92 -0.10 -0.55 1.29 0.11 -1.95 0.29 132.00 138.01 5gal h PRO 10 Ca -0.06 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 5gal h PRO 10 Cb 0.94 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.07 5gal h PRO 10 CO 0.67 -0.07 0.00 -1.91 -0.21 0.00 0.00 178.00 176.48 5gal n GLU 11 N -5.28 2.46 0.00 1.05 4.07 -1.26 -5.04 120.64 116.64 5gal n GLU 11 Ca 0.01 -1.65 0.00 0.00 -0.06 0.00 0.00 57.16 55.45 5gal n GLU 11 Cb 0.28 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 5gal n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 5gal n GLY 12 N 0.89 -1.09 3.30 8.31 0.00 0.10 -4.86 105.19 111.84 5gal n GLY 12 Ca 0.15 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 5gal n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 5gal s ILE 13 N 0.00 1.80 0.17 -0.61 -4.36 -1.26 -4.92 121.20 112.02 5gal s ILE 13 Ca 0.00 -1.49 -0.13 0.00 -0.26 0.00 0.00 60.65 58.77 5gal s ILE 13 Cb 0.00 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 42.11 5gal s ILE 13 CO 0.00 0.04 0.40 0.00 0.24 0.00 0.00 174.94 175.62 5gal s ARG 14 N -1.74 1.24 -0.38 0.37 1.70 -1.26 -4.49 118.95 114.39 5gal s ARG 14 Ca 0.08 -1.00 -0.41 0.00 -0.47 0.00 0.00 55.73 53.93 5gal s ARG 14 Cb -0.10 0.45 -0.16 0.00 -0.57 0.00 0.00 34.95 34.57 5gal s ARG 14 CO 0.04 -0.49 1.89 -2.30 -1.08 0.00 0.00 175.30 173.36 5gal n PRO 15 N -0.27 0.67 0.00 3.89 -0.02 -1.26 -0.26 135.00 137.76 5gal n PRO 15 Ca -0.09 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 5gal n PRO 15 Cb 0.63 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 5gal n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 5gal n GLY 16 N 5.33 1.03 3.69 -1.23 0.00 0.03 -4.94 105.19 109.09 5gal n GLY 16 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 5gal n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5gal s THR 17 N -2.00 4.93 -0.08 2.61 2.01 0.64 -4.95 115.64 118.81 5gal s THR 17 Ca 0.00 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.65 5gal s THR 17 Cb 0.00 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 5gal s THR 17 CO 0.00 0.10 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.17 5gal s VAL 18 N 1.65 2.75 -0.19 3.82 1.01 -0.78 -1.93 120.40 126.73 5gal s VAL 18 Ca 0.39 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 5gal s VAL 18 Cb -0.17 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 5gal s VAL 18 CO 0.16 0.56 -0.04 -0.76 0.00 0.00 0.00 175.10 175.02 5gal s LEU 19 N -0.23 3.02 -0.23 3.92 1.02 -0.49 -0.48 118.68 125.21 5gal s LEU 19 Ca 0.00 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 5gal s LEU 19 Cb -0.13 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.35 5gal s LEU 19 CO 0.03 0.06 -0.08 -0.60 0.02 0.00 0.00 176.35 175.78 5gal s ARG 20 N 1.00 2.93 -0.21 1.70 3.52 0.81 -0.82 118.95 127.88 5gal s ARG 20 Ca 0.00 -0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 54.66 5gal s ARG 20 Cb -0.15 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.32 5gal s ARG 20 CO 0.01 -0.34 -0.05 0.42 -0.81 0.00 0.00 175.30 174.52 5gal s ILE 21 N 1.33 3.39 -0.07 4.11 1.01 0.15 -1.36 121.20 129.76 5gal s ILE 21 Ca 0.02 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.20 5gal s ILE 21 Cb -0.16 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 5gal s ILE 21 CO -0.06 0.44 -0.16 -0.13 0.00 0.00 0.00 174.94 175.03 5gal s ARG 22 N 1.26 2.74 0.00 2.79 0.52 -0.31 -0.43 118.95 125.52 5gal s ARG 22 Ca 0.03 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 5gal s ARG 22 Cb -0.14 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 32.92 5gal s ARG 22 CO -0.02 0.48 0.00 0.41 0.02 0.00 0.00 175.30 176.19 5gal n GLY 23 N 2.73 1.73 3.04 -3.53 0.00 -0.82 -1.43 105.19 106.91 5gal n GLY 23 Ca -0.17 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 5gal n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 5gal s LEU 24 N 0.00 0.69 -0.37 0.99 0.20 0.76 -0.81 118.68 120.14 5gal s LEU 24 Ca 0.00 0.45 -0.28 0.00 0.69 0.00 0.00 54.13 54.99 5gal s LEU 24 Cb 0.00 0.65 0.02 0.00 -0.43 0.00 0.00 46.19 46.43 5gal s LEU 24 CO 0.00 -0.14 1.03 -0.69 -0.29 0.00 0.00 176.35 176.26 5gal s VAL 25 N 0.94 4.48 0.30 1.68 1.01 -0.29 -0.69 120.40 127.84 5gal s VAL 25 Ca -0.07 1.42 -0.29 0.00 0.00 0.00 0.00 61.98 63.05 5gal s VAL 25 Cb -0.08 -4.42 -0.13 0.00 0.00 0.00 0.00 36.38 31.75 5gal s VAL 25 CO -0.06 -0.60 1.22 -2.65 0.00 0.00 0.00 175.10 173.01 5gal n PRO 26 N 7.01 1.84 -0.51 2.72 -0.02 -1.26 0.88 135.00 145.66 5gal n PRO 26 Ca 0.10 0.65 0.43 0.00 -2.02 0.00 0.00 63.50 62.65 5gal n PRO 26 Cb 0.48 -2.18 0.70 0.00 -0.02 0.00 0.00 33.50 32.48 5gal n PRO 26 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 5gal n PRO 27 N 0.90 -0.03 -0.72 0.52 -0.02 -1.26 -0.37 135.00 134.01 5gal n PRO 27 Ca 0.08 1.23 -0.01 0.00 -2.02 0.00 0.00 63.50 62.78 5gal n PRO 27 Cb 0.34 -2.48 0.20 0.00 -0.02 0.00 0.00 33.50 31.53 5gal n PRO 27 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 5gal n ASN 28 N -4.60 2.41 -4.77 2.55 6.94 -1.26 -4.57 115.26 111.96 5gal n ASN 28 Ca 0.41 -3.73 -0.39 0.00 -0.02 0.00 0.00 54.58 50.85 5gal n ASN 28 Cb 1.65 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 5gal n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 5gal s ALA 29 N -3.21 3.20 -0.21 -2.53 0.00 0.50 -4.94 121.76 114.57 5gal s ALA 29 Ca 0.43 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.67 5gal s ALA 29 Cb 0.39 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.86 5gal s ALA 29 CO -0.01 -0.94 -0.19 0.45 0.00 0.00 0.00 175.76 175.07 5gal n SER 30 N -0.07 2.31 -3.58 0.00 2.88 -1.26 -4.71 113.62 109.19 5gal n SER 30 Ca 0.05 -0.09 0.03 0.00 -1.33 0.00 0.00 58.87 57.52 5gal n SER 30 Cb 0.44 -0.35 -0.00 0.00 -0.75 0.00 0.00 64.21 63.54 5gal n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 5gal s ARG 31 N -2.43 0.12 0.31 -1.46 1.70 -1.26 -1.59 118.95 114.35 5gal s ARG 31 Ca -0.29 -0.07 -0.16 0.00 -0.47 0.00 0.00 55.73 54.74 5gal s ARG 31 Cb 0.08 0.04 0.02 0.00 -0.57 0.00 0.00 34.95 34.52 5gal s ARG 31 CO 0.49 -0.06 0.68 -0.59 -1.08 0.00 0.00 175.30 174.73 5gal s PHE 32 N -2.14 0.11 0.18 5.89 -0.12 -0.78 -1.13 117.98 119.99 5gal s PHE 32 Ca 0.14 -0.60 -0.14 0.00 -0.05 0.00 0.00 56.93 56.29 5gal s PHE 32 Cb 0.06 0.59 0.01 0.00 -0.63 0.00 0.00 43.02 43.05 5gal s PHE 32 CO -0.06 -1.28 0.42 -3.38 -0.05 0.00 0.00 175.22 170.87 5gal s HIS 33 N -3.39 0.06 -0.06 3.49 -3.43 -0.78 -2.56 115.29 108.61 5gal s HIS 33 Ca 0.16 -0.41 0.00 0.00 -0.80 0.00 0.00 55.06 54.01 5gal s HIS 33 Cb -0.04 0.21 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 5gal s HIS 33 CO 0.10 -0.82 -0.04 0.08 -2.00 0.00 0.00 174.74 172.06 5gal s VAL 34 N -3.90 0.57 -0.02 -5.38 1.01 -0.04 -1.67 120.40 110.97 5gal s VAL 34 Ca 0.11 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.09 5gal s VAL 34 Cb 0.01 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 5gal s VAL 34 CO -0.03 0.26 -0.26 0.20 0.00 0.00 0.00 175.10 175.27 5gal s ASN 35 N 1.31 3.02 -0.42 3.32 0.01 0.44 -1.20 114.94 121.43 5gal s ASN 35 Ca -0.05 -0.47 -0.09 0.00 -0.71 0.00 0.00 52.86 51.55 5gal s ASN 35 Cb -0.14 -0.34 0.08 0.00 0.41 0.00 0.00 41.25 41.27 5gal s ASN 35 CO -0.02 0.32 0.26 -0.76 -1.51 0.00 0.00 177.10 175.38 5gal s LEU 36 N -0.60 5.18 0.20 0.60 1.43 0.18 -1.33 118.68 124.34 5gal s LEU 36 Ca 0.10 -1.58 0.00 0.00 -1.03 0.00 0.00 54.13 51.62 5gal s LEU 36 Cb -0.10 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 5gal s LEU 36 CO -0.01 -0.55 0.38 -0.76 0.23 0.00 0.00 176.35 175.65 5gal s LEU 37 N 1.39 4.23 0.00 1.79 1.43 -0.53 -0.42 118.68 126.58 5gal s LEU 37 Ca 0.03 0.36 0.23 0.00 -1.03 0.00 0.00 54.13 53.72 5gal s LEU 37 Cb -0.23 -3.13 0.10 0.00 0.03 0.00 0.00 46.19 42.96 5gal s LEU 37 CO 0.01 -0.05 1.17 0.00 0.23 0.00 0.00 176.35 177.72 5gal s GLY 39 N -2.20 -0.06 0.00 0.00 0.00 -1.26 -4.55 107.32 99.25 5gal s GLY 39 Ca 0.23 -0.26 0.25 0.00 0.00 0.00 0.00 44.72 44.94 5gal s GLY 39 CO 0.42 -0.24 1.39 1.18 0.00 0.00 0.00 173.10 175.85 5gal n GLU 40 N -0.37 0.77 -2.12 2.90 1.02 -1.26 -4.85 120.64 116.72 5gal n GLU 40 Ca -0.08 -0.52 -0.38 0.00 -0.02 0.00 0.00 57.16 56.16 5gal n GLU 40 Cb 0.62 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.55 5gal n GLU 40 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 5gal s GLU 41 N -2.59 3.77 0.47 3.49 8.01 -1.26 -4.95 118.70 125.63 5gal s GLU 41 Ca 0.20 1.97 -0.24 0.00 0.01 0.00 0.00 54.97 56.91 5gal s GLU 41 Cb 0.19 -2.53 -0.07 0.00 -4.31 0.00 0.00 34.13 27.40 5gal s GLU 41 CO 0.58 -0.60 1.36 -1.14 0.01 0.00 0.00 175.26 175.47 5gal s GLN 42 N -2.53 3.58 -0.90 1.61 0.74 -1.26 -3.19 119.66 117.71 5gal s GLN 42 Ca 0.62 2.26 -0.03 0.00 0.05 0.00 0.00 55.36 58.26 5gal s GLN 42 Cb -0.34 -2.53 -0.03 0.00 1.10 0.00 0.00 33.01 31.21 5gal s GLN 42 CO 0.42 -0.85 0.77 0.41 -0.55 0.00 0.00 175.29 175.49 5gal n GLY 43 N 0.63 -0.50 3.98 2.59 0.00 -1.26 -5.03 105.19 105.60 5gal n GLY 43 Ca 0.07 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 5gal n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5gal s SER 44 N -3.68 5.82 0.29 1.61 0.01 -1.19 -4.85 113.70 111.70 5gal s SER 44 Ca 0.20 -0.10 -0.29 0.00 1.31 0.00 0.00 55.95 57.06 5gal s SER 44 Cb -0.03 -1.17 -0.10 0.00 0.21 0.00 0.00 66.02 64.94 5gal s SER 44 CO 0.59 -0.62 1.43 -1.81 0.41 0.00 0.00 173.24 173.24 5gal s ASP 45 N -4.24 6.62 -0.34 2.44 1.01 -1.26 -4.90 116.67 116.01 5gal s ASP 45 Ca 0.49 2.74 -0.06 0.00 0.71 0.00 0.00 52.55 56.42 5gal s ASP 45 Cb -0.10 -2.64 0.04 0.00 1.01 0.00 0.00 42.92 41.23 5gal s ASP 45 CO 0.34 -0.70 0.10 0.00 0.21 0.00 0.00 175.17 175.12 5gal s ALA 46 N -0.41 3.04 0.43 5.23 0.00 0.50 -2.23 121.76 128.31 5gal s ALA 46 Ca 0.56 -1.73 0.25 0.00 0.00 0.00 0.00 51.96 51.05 5gal s ALA 46 Cb -0.42 -2.26 1.38 0.00 0.00 0.00 0.00 23.12 21.82 5gal s ALA 46 CO 0.48 -1.31 2.06 0.00 0.00 0.00 0.00 175.76 177.00 5gal h ALA 47 N 8.22 1.36 -2.46 0.00 0.00 -1.01 -2.10 119.26 123.26 5gal h ALA 47 Ca -0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 5gal h ALA 47 Cb 1.08 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.61 5gal h ALA 47 CO 0.60 0.16 -0.20 -1.17 0.00 0.00 0.00 179.25 178.64 5gal s LEU 48 N -7.53 -0.31 -0.22 0.00 2.96 -1.20 -4.73 118.68 107.64 5gal s LEU 48 Ca -0.03 1.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 5gal s LEU 48 Cb 0.14 1.65 0.06 0.00 0.50 0.00 0.00 46.19 48.53 5gal s LEU 48 CO 0.60 -0.20 -0.06 -2.28 -1.32 0.00 0.00 176.35 173.09 5gal s HIS 49 N 1.40 2.30 -0.23 5.38 5.65 0.23 -0.65 115.29 129.38 5gal s HIS 49 Ca -0.09 -1.65 -0.05 0.00 0.25 0.00 0.00 55.06 53.51 5gal s HIS 49 Cb -0.07 -1.55 -0.02 0.00 -1.18 0.00 0.00 32.58 29.76 5gal s HIS 49 CO -0.14 -0.75 0.00 0.12 -0.65 0.00 0.00 174.74 173.32 5gal s PHE 50 N 1.43 3.01 -0.48 3.88 5.36 -0.34 -1.06 117.98 129.78 5gal s PHE 50 Ca -0.05 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.27 5gal s PHE 50 Cb -0.18 -2.15 0.17 0.00 -0.34 0.00 0.00 43.02 40.52 5gal s PHE 50 CO -0.07 -0.45 0.37 1.21 -1.46 0.00 0.00 175.22 174.83 5gal s ASN 51 N 1.47 2.37 0.10 6.13 3.04 0.06 -0.86 114.94 127.26 5gal s ASN 51 Ca 0.05 -3.23 -0.31 0.00 0.04 0.00 0.00 52.86 49.42 5gal s ASN 51 Cb -0.15 -0.75 -0.09 0.00 -1.54 0.00 0.00 41.25 38.72 5gal s ASN 51 CO -0.00 -0.16 1.74 -2.84 -3.04 0.00 0.00 177.10 172.80 5gal s PRO 52 N -0.28 4.17 -0.58 0.43 0.02 -1.06 -2.55 135.00 135.15 5gal s PRO 52 Ca 0.30 2.46 -0.00 0.00 0.02 0.00 0.00 61.00 63.78 5gal s PRO 52 Cb 0.00 -3.59 0.15 0.00 0.02 0.00 0.00 34.50 31.08 5gal s PRO 52 CO -0.18 -0.79 0.36 1.03 -0.33 0.00 0.00 177.00 177.10 5gal s ARG 53 N 2.66 2.33 0.63 5.54 0.52 0.78 -1.86 118.95 129.55 5gal s ARG 53 Ca 0.77 -2.54 0.38 0.00 -0.52 0.00 0.00 55.73 53.82 5gal s ARG 53 Cb -0.43 -3.57 2.15 0.00 0.52 0.00 0.00 34.95 33.62 5gal s ARG 53 CO 0.34 -1.14 2.32 -0.07 0.02 0.00 0.00 175.30 176.77 5gal h LEU 54 N 6.87 0.00 0.13 2.53 -0.00 -1.55 -0.10 115.31 123.19 5gal h LEU 54 Ca -0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.52 5gal h LEU 54 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.59 5gal h LEU 54 CO 0.70 0.00 -1.66 -2.24 -0.00 0.00 0.00 178.44 175.24 5gal h ASP 55 N 0.00 0.45 -0.34 -0.43 2.03 -1.63 -3.34 116.42 113.16 5gal h ASP 55 Ca -0.00 -0.89 0.00 0.00 -0.73 0.00 0.00 57.03 55.41 5gal h ASP 55 Cb 0.00 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.36 5gal h ASP 55 CO 0.00 1.73 0.00 0.35 -1.03 0.00 0.00 179.24 180.29 5gal n THR 56 N -3.74 0.44 -3.85 1.15 -2.24 -1.14 -4.96 114.28 99.95 5gal n THR 56 Ca -0.27 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 5gal n THR 56 Cb 0.98 0.44 0.03 0.00 -2.10 0.00 0.00 70.33 69.68 5gal n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 5gal n SER 57 N 0.75 -4.22 -3.53 3.42 7.64 -0.08 -5.00 113.62 112.61 5gal n SER 57 Ca 0.16 -1.11 -0.14 0.00 1.01 0.00 0.00 58.87 58.80 5gal n SER 57 Cb 0.40 -2.80 -0.04 0.00 -1.01 0.00 0.00 64.21 60.76 5gal n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 5gal s GLU 58 N -6.51 1.11 -0.26 1.43 -1.05 -1.02 -4.78 118.70 107.62 5gal s GLU 58 Ca 0.41 -0.25 0.02 0.00 -0.15 0.00 0.00 54.97 55.01 5gal s GLU 58 Cb -0.18 0.51 0.06 0.00 -0.44 0.00 0.00 34.13 34.08 5gal s GLU 58 CO 0.90 -0.42 -0.09 0.08 0.95 0.00 0.00 175.26 176.68 5gal s VAL 59 N -2.68 2.01 -0.09 1.83 1.01 -1.26 -0.16 120.40 121.06 5gal s VAL 59 Ca -0.04 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.24 5gal s VAL 59 Cb -0.00 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 5gal s VAL 59 CO -0.04 -0.06 0.37 -0.69 0.00 0.00 0.00 175.10 174.68 5gal s VAL 60 N 1.17 5.20 0.03 2.92 1.01 -1.06 -1.79 120.40 127.87 5gal s VAL 60 Ca -0.08 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.66 5gal s VAL 60 Cb -0.20 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 5gal s VAL 60 CO -0.05 0.46 -0.06 -0.36 0.00 0.00 0.00 175.10 175.08 5gal s PHE 61 N -0.15 2.88 0.09 5.22 0.40 0.16 -0.76 117.98 125.82 5gal s PHE 61 Ca 0.21 -0.05 -0.27 0.00 -0.60 0.00 0.00 56.93 56.22 5gal s PHE 61 Cb -0.15 -1.58 0.08 0.00 0.51 0.00 0.00 43.02 41.89 5gal s PHE 61 CO 0.09 0.39 1.00 1.21 0.70 0.00 0.00 175.22 178.61 5gal s ASN 62 N -1.61 -0.19 0.28 1.36 3.84 -0.23 -1.31 114.94 117.08 5gal s ASN 62 Ca 0.18 -0.27 0.12 0.00 0.21 0.00 0.00 52.86 53.10 5gal s ASN 62 Cb -0.11 0.41 -0.05 0.00 -0.55 0.00 0.00 41.25 40.95 5gal s ASN 62 CO 0.09 -0.73 -0.20 -0.55 -2.79 0.00 0.00 177.10 172.92 5gal s SER 63 N -2.83 3.57 -0.10 -4.21 0.15 -1.26 -0.60 113.70 108.42 5gal s SER 63 Ca 0.11 -1.04 -0.03 0.00 0.70 0.00 0.00 55.95 55.69 5gal s SER 63 Cb -0.00 -0.30 0.04 0.00 -1.71 0.00 0.00 66.02 64.05 5gal s SER 63 CO -0.01 0.03 0.09 -0.75 1.20 0.00 0.00 173.24 173.79 5gal s LYS 64 N -3.52 -0.01 0.07 5.44 2.20 -0.79 -2.12 119.74 121.01 5gal s LYS 64 Ca 0.30 0.23 0.05 0.00 -0.36 0.00 0.00 55.97 56.19 5gal s LYS 64 Cb -0.05 -0.98 -0.03 0.00 -1.51 0.00 0.00 37.83 35.26 5gal s LYS 64 CO 0.15 -0.46 -0.13 -2.00 -0.36 0.00 0.00 175.35 172.54 5gal s GLU 65 N 2.18 0.81 -0.29 4.03 2.12 -0.59 -0.37 118.70 126.59 5gal s GLU 65 Ca 0.04 -0.97 -0.04 0.00 0.36 0.00 0.00 54.97 54.36 5gal s GLU 65 Cb -0.14 -0.77 0.04 0.00 0.26 0.00 0.00 34.13 33.52 5gal s GLU 65 CO -0.06 0.17 0.09 0.94 -0.54 0.00 0.00 175.26 175.86 5gal n GLN 66 N 1.20 -2.55 0.00 4.30 -0.06 -1.26 -0.30 117.38 118.71 5gal n GLN 66 Ca -0.21 0.02 0.00 0.00 -2.00 0.00 0.00 57.00 54.81 5gal n GLN 66 Cb 0.55 -4.31 0.00 0.00 -4.06 0.00 0.00 30.24 22.41 5gal n GLN 66 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 5gal n GLY 67 N -0.56 2.94 3.57 1.69 0.00 -1.26 -5.07 105.19 106.49 5gal n GLY 67 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 5gal n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 5gal s SER 68 N -1.21 4.35 1.18 1.61 1.04 0.59 -5.10 113.70 116.16 5gal s SER 68 Ca 0.00 -0.38 -0.17 0.00 0.48 0.00 0.00 55.95 55.88 5gal s SER 68 Cb 0.00 -0.83 0.27 0.00 0.10 0.00 0.00 66.02 65.57 5gal s SER 68 CO 0.00 0.19 1.07 0.26 0.98 0.00 0.00 173.24 175.74 5gal s TRP 69 N -1.17 0.85 0.00 5.02 0.52 -1.26 -1.53 118.94 121.36 5gal s TRP 69 Ca 0.20 0.70 0.00 0.00 0.02 0.00 0.00 56.10 57.03 5gal s TRP 69 Cb -0.11 -3.28 0.00 0.00 -1.15 0.00 0.00 33.47 28.93 5gal s TRP 69 CO 0.12 -3.80 0.00 0.41 0.02 0.00 0.00 176.95 173.70 5gal n GLY 70 N -0.46 6.32 3.62 0.98 0.00 -0.90 -4.80 105.19 109.95 5gal n GLY 70 Ca 0.10 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 5gal n GLY 70 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 5gal s ARG 71 N 1.00 3.70 0.42 1.61 3.52 -1.26 -4.83 118.95 123.10 5gal s ARG 71 Ca 0.00 1.35 -0.19 0.00 -0.13 0.00 0.00 55.73 56.76 5gal s ARG 71 Cb 0.00 -4.02 -0.10 0.00 -1.56 0.00 0.00 34.95 29.27 5gal s ARG 71 CO 0.00 -1.41 0.91 -1.83 -0.81 0.00 0.00 175.30 172.17 5gal s GLU 72 N 4.77 4.14 0.06 5.12 -1.05 -1.26 -4.71 118.70 125.77 5gal s GLU 72 Ca 0.67 1.00 0.08 0.00 -0.15 0.00 0.00 54.97 56.56 5gal s GLU 72 Cb -0.20 -2.22 -0.03 0.00 -0.44 0.00 0.00 34.13 31.24 5gal s GLU 72 CO 0.29 -0.03 -0.22 -1.21 0.95 0.00 0.00 175.26 175.04 5gal s GLU 73 N -3.28 1.40 0.01 -4.83 2.02 -0.43 -4.96 118.70 108.62 5gal s GLU 73 Ca 0.60 -1.04 0.08 0.00 0.02 0.00 0.00 54.97 54.62 5gal s GLU 73 Cb -0.09 -1.58 -0.02 0.00 0.10 0.00 0.00 34.13 32.53 5gal s GLU 73 CO 0.17 0.40 -0.24 1.03 0.02 0.00 0.00 175.26 176.63 5gal s ARG 74 N -1.41 2.05 0.69 1.61 0.52 -1.26 0.41 118.95 121.55 5gal s ARG 74 Ca 0.08 -0.97 -0.08 0.00 -0.52 0.00 0.00 55.73 54.24 5gal s ARG 74 Cb -0.09 -2.07 0.04 0.00 0.52 0.00 0.00 34.95 33.34 5gal s ARG 74 CO 0.03 0.55 1.02 0.20 0.02 0.00 0.00 175.30 177.11 5gal s GLY 75 N -0.93 1.64 -0.66 -3.53 0.00 -0.74 -5.00 107.32 98.11 5gal s GLY 75 Ca 0.11 -0.73 -0.24 0.00 0.00 0.00 0.00 44.72 43.86 5gal s GLY 75 CO 0.01 -0.35 1.05 2.56 0.00 0.00 0.00 173.10 176.37 5gal s PRO 76 N -5.24 3.18 0.00 2.90 0.04 -1.26 -4.60 135.00 130.02 5gal s PRO 76 Ca 0.58 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.07 5gal s PRO 76 Cb -0.11 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.25 5gal s PRO 76 CO 0.47 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 176.07 5gal n GLY 77 N 5.30 -0.99 3.10 0.56 0.00 -1.26 -4.86 105.19 107.04 5gal n GLY 77 Ca -0.01 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 5gal n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5gal s VAL 78 N -1.31 2.58 -0.10 1.61 1.01 -1.26 -4.47 120.40 118.46 5gal s VAL 78 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.25 5gal s VAL 78 Cb 0.00 -2.60 0.10 0.00 0.00 0.00 0.00 36.38 33.88 5gal s VAL 78 CO 0.00 -0.23 1.61 -0.81 0.00 0.00 0.00 175.10 175.67 5gal n PRO 79 N 4.48 1.27 -4.41 2.72 -0.04 -1.26 -4.79 135.00 132.96 5gal n PRO 79 Ca -0.09 -0.57 -0.21 0.00 -0.04 0.00 0.00 63.50 62.59 5gal n PRO 79 Cb 0.42 -1.22 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 5gal n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 5gal s PHE 80 N -0.64 1.34 -0.05 0.54 0.08 -1.26 -5.01 117.98 112.98 5gal s PHE 80 Ca 0.11 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.83 5gal s PHE 80 Cb 0.09 -0.80 0.01 0.00 -0.57 0.00 0.00 43.02 41.75 5gal s PHE 80 CO 0.01 0.05 -0.10 -1.14 -0.10 0.00 0.00 175.22 173.93 5gal s GLN 81 N -1.15 1.32 0.44 0.44 2.00 -1.26 -5.05 119.66 116.40 5gal s GLN 81 Ca 0.03 -0.34 -0.25 0.00 -2.00 0.00 0.00 55.36 52.79 5gal s GLN 81 Cb -0.08 -1.16 -0.09 0.00 0.80 0.00 0.00 33.01 32.48 5gal s GLN 81 CO 0.01 0.05 1.37 0.54 -0.50 0.00 0.00 175.29 176.77 5gal n ARG 82 N 3.63 2.12 -0.71 1.67 1.74 -1.26 -1.17 116.66 122.69 5gal n ARG 82 Ca -0.22 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 5gal n ARG 82 Cb 0.52 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 5gal n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 5gal n GLY 83 N 0.67 0.55 3.77 -0.13 0.00 0.25 -4.85 105.19 105.45 5gal n GLY 83 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 5gal n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 5gal s GLN 84 N -0.48 3.09 0.45 1.61 -1.52 -0.32 -4.87 119.66 117.62 5gal s GLN 84 Ca 0.00 -0.41 -0.13 0.00 -1.95 0.00 0.00 55.36 52.87 5gal s GLN 84 Cb 0.00 -2.88 -0.07 0.00 -0.22 0.00 0.00 33.01 29.84 5gal s GLN 84 CO 0.00 0.68 0.86 -1.25 -0.25 0.00 0.00 175.29 175.33 5gal s PRO 85 N -1.38 3.85 0.21 2.91 0.04 -1.26 -1.13 135.00 138.23 5gal s PRO 85 Ca 0.19 0.67 -0.05 0.00 0.04 0.00 0.00 61.00 61.84 5gal s PRO 85 Cb -0.12 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 5gal s PRO 85 CO 0.09 -0.13 0.25 -0.59 0.04 0.00 0.00 177.00 176.66 5gal s PHE 86 N -2.47 0.83 -0.09 0.56 -0.12 0.01 -4.92 117.98 111.78 5gal s PHE 86 Ca 0.54 -1.12 -0.04 0.00 -0.05 0.00 0.00 56.93 56.27 5gal s PHE 86 Cb -0.10 -0.27 0.05 0.00 -0.63 0.00 0.00 43.02 42.06 5gal s PHE 86 CO 0.31 -0.76 0.19 -2.00 -0.05 0.00 0.00 175.22 172.91 5gal s GLU 87 N -4.10 0.08 -0.07 1.99 2.12 -1.26 -1.94 118.70 115.52 5gal s GLU 87 Ca 0.31 0.58 0.04 0.00 0.36 0.00 0.00 54.97 56.27 5gal s GLU 87 Cb 0.04 -0.20 -0.02 0.00 0.26 0.00 0.00 34.13 34.22 5gal s GLU 87 CO 0.10 -0.28 -0.19 0.08 -0.54 0.00 0.00 175.26 174.43 5gal s VAL 88 N 2.13 2.55 -0.13 3.70 1.01 0.43 -1.10 120.40 128.98 5gal s VAL 88 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 5gal s VAL 88 Cb -0.12 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 5gal s VAL 88 CO -0.07 0.57 -0.13 -0.76 0.00 0.00 0.00 175.10 174.71 5gal s LEU 89 N -0.21 2.68 -0.30 3.92 1.43 0.21 -0.68 118.68 125.73 5gal s LEU 89 Ca -0.01 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 5gal s LEU 89 Cb -0.13 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.55 5gal s LEU 89 CO 0.03 0.16 -0.01 -0.63 0.23 0.00 0.00 176.35 176.13 5gal s ILE 90 N 0.41 2.69 -0.23 -0.59 1.01 -0.00 -0.92 121.20 123.56 5gal s ILE 90 Ca -0.10 -1.63 -0.06 0.00 0.00 0.00 0.00 60.65 58.85 5gal s ILE 90 Cb -0.16 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 5gal s ILE 90 CO 0.05 -0.19 0.04 -0.63 0.00 0.00 0.00 174.94 174.22 5gal s ILE 91 N 1.16 4.14 -0.18 2.92 1.01 0.27 -1.39 121.20 129.13 5gal s ILE 91 Ca -0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 5gal s ILE 91 Cb -0.20 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 5gal s ILE 91 CO -0.03 0.37 0.79 0.00 0.00 0.00 0.00 174.94 176.07 5gal s ALA 92 N 1.44 3.53 0.40 9.38 0.00 -0.81 -0.19 121.76 135.52 5gal s ALA 92 Ca 0.05 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.05 5gal s ALA 92 Cb -0.15 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 5gal s ALA 92 CO 0.02 -0.66 0.13 -1.54 0.00 0.00 0.00 175.76 173.71 5gal s SER 93 N 1.18 4.30 0.64 0.00 1.04 0.69 -0.79 113.70 120.77 5gal s SER 93 Ca 0.36 -1.10 0.27 0.00 0.48 0.00 0.00 55.95 55.96 5gal s SER 93 Cb -0.16 -0.48 1.47 0.00 0.10 0.00 0.00 66.02 66.94 5gal s SER 93 CO 0.11 -0.47 1.84 -2.24 0.98 0.00 0.00 173.24 173.46 5gal h ASP 94 N 1.55 0.00 0.00 7.02 3.04 -1.95 -2.79 116.42 123.28 5gal h ASP 94 Ca -0.43 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 5gal h ASP 94 Cb 1.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 5gal h ASP 94 CO 0.71 0.00 0.00 -0.90 -2.04 0.00 0.00 179.24 177.01 5gal n ASP 95 N -3.09 1.02 0.00 4.15 5.68 -1.26 -5.02 116.55 118.03 5gal n ASP 95 Ca 0.01 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 5gal n ASP 95 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 5gal n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 5gal n GLY 96 N -0.04 -1.76 3.60 6.12 0.00 -1.06 -2.44 105.19 109.63 5gal n GLY 96 Ca 0.00 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 5gal n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5gal s PHE 97 N -2.44 3.18 -0.17 1.61 0.08 0.15 -0.22 117.98 120.17 5gal s PHE 97 Ca 0.00 -0.02 -0.09 0.00 0.12 0.00 0.00 56.93 56.94 5gal s PHE 97 Cb 0.00 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 5gal s PHE 97 CO 0.00 0.16 0.13 0.15 -0.10 0.00 0.00 175.22 175.56 5gal s LYS 98 N 0.15 3.94 -0.25 0.44 3.01 0.74 -0.10 119.74 127.67 5gal s LYS 98 Ca 0.02 -0.20 -0.04 0.00 -1.01 0.00 0.00 55.97 54.74 5gal s LYS 98 Cb -0.13 -3.34 0.00 0.00 -1.01 0.00 0.00 37.83 33.36 5gal s LYS 98 CO 0.01 0.45 -0.01 0.00 0.51 0.00 0.00 175.35 176.32 5gal s ALA 99 N -0.09 2.88 -0.12 5.17 0.00 0.62 -0.56 121.76 129.66 5gal s ALA 99 Ca 0.10 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.78 5gal s ALA 99 Cb -0.11 -1.83 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 5gal s ALA 99 CO -0.00 -0.62 -0.13 0.08 0.00 0.00 0.00 175.76 175.09 5gal s VAL 100 N 1.46 3.09 -0.28 0.00 1.01 -0.10 0.14 120.40 125.73 5gal s VAL 100 Ca 0.04 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.39 5gal s VAL 100 Cb -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.01 5gal s VAL 100 CO -0.02 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.87 5gal s VAL 101 N 0.16 2.10 -0.06 2.92 1.01 -0.52 -0.62 120.40 125.39 5gal s VAL 101 Ca -0.07 -1.75 -0.03 0.00 0.00 0.00 0.00 61.98 60.13 5gal s VAL 101 Cb -0.15 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.94 5gal s VAL 101 CO 0.05 -0.18 0.07 0.61 0.00 0.00 0.00 175.10 175.64 5gal n GLY 102 N 4.42 -1.55 2.45 4.51 0.00 -0.26 -3.23 105.19 111.54 5gal n GLY 102 Ca -0.09 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 5gal n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5gal n ASP 103 N 2.14 -3.06 -3.74 1.61 9.92 -1.26 -4.90 116.55 117.26 5gal n ASP 103 Ca -0.11 0.02 -0.14 0.00 -0.53 0.00 0.00 54.79 54.03 5gal n ASP 103 Cb 0.22 -2.10 -0.15 0.00 -0.64 0.00 0.00 41.12 38.45 5gal n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 5gal s ALA 104 N -0.63 -0.21 0.15 2.24 0.00 -1.20 -5.11 121.76 117.00 5gal s ALA 104 Ca 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 51.96 52.27 5gal s ALA 104 Cb 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 5gal s ALA 104 CO 0.00 -0.20 1.72 -1.14 0.00 0.00 0.00 175.76 176.14 5gal s GLN 105 N 1.29 4.16 -0.19 0.00 2.00 -1.26 -1.44 119.66 124.23 5gal s GLN 105 Ca -0.08 2.51 0.00 0.00 -2.00 0.00 0.00 55.36 55.79 5gal s GLN 105 Cb -0.12 -3.35 -0.12 0.00 0.80 0.00 0.00 33.01 30.22 5gal s GLN 105 CO -0.06 -0.75 -0.17 0.98 -0.50 0.00 0.00 175.29 174.79 5gal n TYR 106 N 4.83 0.00 -3.55 1.67 9.36 0.37 -4.88 117.16 124.95 5gal n TYR 106 Ca 0.16 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.25 5gal n TYR 106 Cb 0.38 -0.71 -0.05 0.00 -0.63 0.00 0.00 39.34 38.32 5gal n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 5gal s HIS 107 N -2.37 -0.47 -0.09 2.98 5.04 -0.94 -4.64 115.29 114.80 5gal s HIS 107 Ca -0.25 0.75 0.03 0.00 -1.54 0.00 0.00 55.06 54.05 5gal s HIS 107 Cb 0.07 0.45 -0.01 0.00 0.04 0.00 0.00 32.58 33.12 5gal s HIS 107 CO 0.42 -0.47 -0.18 -1.58 -2.34 0.00 0.00 174.74 170.59 5gal s HIS 108 N -1.41 2.65 -0.16 3.88 2.46 -1.26 -0.28 115.29 121.17 5gal s HIS 108 Ca -0.04 -0.61 0.01 0.00 0.47 0.00 0.00 55.06 54.89 5gal s HIS 108 Cb -0.00 -1.71 0.02 0.00 -0.13 0.00 0.00 32.58 30.76 5gal s HIS 108 CO 0.03 -0.15 -0.17 0.12 -2.47 0.00 0.00 174.74 172.10 5gal s PHE 109 N -0.04 2.47 0.22 3.88 2.19 0.86 -4.97 117.98 122.59 5gal s PHE 109 Ca -0.05 -1.43 -0.30 0.00 0.33 0.00 0.00 56.93 55.48 5gal s PHE 109 Cb -0.14 -1.76 -0.08 0.00 -1.31 0.00 0.00 43.02 39.73 5gal s PHE 109 CO 0.04 -0.74 1.00 1.03 1.83 0.00 0.00 175.22 178.39 5gal s ARG 110 N 1.38 4.75 0.21 10.12 0.52 -1.26 0.34 118.95 135.01 5gal s ARG 110 Ca 0.05 1.59 -0.32 0.00 -0.52 0.00 0.00 55.73 56.52 5gal s ARG 110 Cb -0.13 -3.28 -0.13 0.00 0.52 0.00 0.00 34.95 31.93 5gal s ARG 110 CO -0.12 0.34 1.50 0.72 0.02 0.00 0.00 175.30 177.76 5gal n HIS 111 N 1.77 2.28 -0.06 -0.53 8.25 -1.02 -4.89 115.22 121.01 5gal n HIS 111 Ca -0.00 0.34 -0.11 0.00 -0.26 0.00 0.00 57.72 57.68 5gal n HIS 111 Cb 0.47 -2.51 -0.05 0.00 1.12 0.00 0.00 29.99 29.02 5gal n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 5gal n ARG 112 N 2.69 0.26 -3.18 -0.41 1.74 -1.26 -5.00 116.66 111.50 5gal n ARG 112 Ca 0.14 0.10 -0.20 0.00 -0.77 0.00 0.00 57.85 57.12 5gal n ARG 112 Cb 0.31 -1.02 0.01 0.00 -1.02 0.00 0.00 32.46 30.73 5gal n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 5gal s LEU 113 N -6.35 3.76 0.04 0.55 1.43 -1.26 -5.06 118.68 111.79 5gal s LEU 113 Ca -0.16 -0.08 -0.28 0.00 -1.03 0.00 0.00 54.13 52.57 5gal s LEU 113 Cb 0.06 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 5gal s LEU 113 CO 0.23 -0.64 0.91 -2.16 0.23 0.00 0.00 176.35 174.92 5gal s PRO 114 N -4.37 4.58 0.41 1.29 0.04 -1.26 -4.93 135.00 130.76 5gal s PRO 114 Ca 0.49 1.31 0.25 0.00 0.04 0.00 0.00 61.00 63.09 5gal s PRO 114 Cb -0.10 -3.41 1.30 0.00 0.04 0.00 0.00 34.50 32.33 5gal s PRO 114 CO 0.34 0.11 1.66 -0.07 0.04 0.00 0.00 177.00 179.07 5gal h LEU 115 N 6.20 0.33 0.00 -3.56 3.38 -1.97 0.37 115.31 120.06 5gal h LEU 115 Ca -0.42 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.69 5gal h LEU 115 Cb 1.21 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.07 5gal h LEU 115 CO 0.73 -0.13 0.00 0.00 0.09 0.00 0.00 178.44 179.13 5gal n ALA 116 N -2.46 2.06 0.63 1.53 0.00 -1.26 -2.15 120.51 118.85 5gal n ALA 116 Ca 0.34 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.80 5gal n ALA 116 Cb 1.24 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 5gal n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 5gal n ARG 117 N -0.95 0.24 -2.40 0.00 1.74 0.13 -4.94 116.66 110.48 5gal n ARG 117 Ca 0.10 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 5gal n ARG 117 Cb 0.05 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 5gal n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 5gal s VAL 118 N -3.19 4.04 0.00 1.55 1.01 -0.91 -4.16 120.40 118.74 5gal s VAL 118 Ca 0.02 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.43 5gal s VAL 118 Cb 0.15 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.61 5gal s VAL 118 CO 0.87 0.06 0.00 0.54 0.00 0.00 0.00 175.10 176.57 5gal n ARG 119 N 4.58 1.62 -3.62 2.72 3.00 0.13 -4.22 116.66 120.88 5gal n ARG 119 Ca 0.10 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.83 5gal n ARG 119 Cb 0.46 -0.88 -0.05 0.00 0.00 0.00 0.00 32.46 31.99 5gal n ARG 119 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 5gal s LEU 120 N -2.42 0.26 -0.01 0.55 0.05 -0.98 -0.88 118.68 115.25 5gal s LEU 120 Ca 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 54.13 54.03 5gal s LEU 120 Cb 0.00 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 46.01 5gal s LEU 120 CO 0.00 -0.79 0.08 -0.69 -0.55 0.00 0.00 176.35 174.40 5gal s VAL 121 N -3.27 4.73 -0.04 1.48 1.01 0.43 -1.45 120.40 123.29 5gal s VAL 121 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.59 5gal s VAL 121 Cb 0.01 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.26 5gal s VAL 121 CO -0.08 0.36 -0.01 -0.70 0.00 0.00 0.00 175.10 174.67 5gal s GLU 122 N -1.69 0.50 -0.10 2.72 2.12 -0.44 -1.69 118.70 120.11 5gal s GLU 122 Ca 0.22 0.03 0.04 0.00 0.36 0.00 0.00 54.97 55.62 5gal s GLU 122 Cb -0.12 -0.67 0.00 0.00 0.26 0.00 0.00 34.13 33.61 5gal s GLU 122 CO 0.13 -0.15 -0.22 0.08 -0.54 0.00 0.00 175.26 174.56 5gal s VAL 123 N 1.16 1.94 0.18 3.70 1.01 -0.44 -0.42 120.40 127.52 5gal s VAL 123 Ca -0.08 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 5gal s VAL 123 Cb -0.14 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.57 5gal s VAL 123 CO -0.02 0.53 0.27 0.61 0.00 0.00 0.00 175.10 176.50 5gal n GLY 124 N 3.65 2.39 3.16 4.51 0.00 -0.67 -0.39 105.19 117.83 5gal n GLY 124 Ca -0.20 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.41 5gal n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5gal n GLY 125 N -0.28 -1.74 3.43 -0.02 0.00 -1.26 -1.87 105.19 103.45 5gal n GLY 125 Ca -0.01 -1.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 5gal n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 5gal n ASP 126 N 0.02 4.83 -3.83 1.61 8.00 -0.28 -4.91 116.55 121.99 5gal n ASP 126 Ca 0.00 -2.92 -0.12 0.00 0.71 0.00 0.00 54.79 52.46 5gal n ASP 126 Cb 0.00 -1.71 -0.11 0.00 -0.02 0.00 0.00 41.12 39.29 5gal n ASP 126 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 5gal s VAL 127 N 3.67 0.05 -0.50 2.53 0.11 -1.26 -4.29 120.40 120.71 5gal s VAL 127 Ca 0.51 -0.41 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 5gal s VAL 127 Cb 0.05 -0.40 0.10 0.00 -1.53 0.00 0.00 36.38 34.60 5gal s VAL 127 CO 0.05 -0.22 0.43 -1.10 -3.33 0.00 0.00 175.10 170.92 5gal s GLN 128 N -0.82 2.90 -0.28 1.54 -1.52 0.14 -4.94 119.66 116.68 5gal s GLN 128 Ca -0.09 -1.57 -0.24 0.00 -1.95 0.00 0.00 55.36 51.52 5gal s GLN 128 Cb -0.05 -4.16 -0.00 0.00 -0.22 0.00 0.00 33.01 28.58 5gal s GLN 128 CO 0.01 -1.18 0.79 -1.17 -0.25 0.00 0.00 175.29 173.50 5gal s LEU 129 N 1.57 4.08 -0.13 2.90 2.96 -1.26 -0.17 118.68 128.63 5gal s LEU 129 Ca 0.04 0.78 -0.11 0.00 -0.22 0.00 0.00 54.13 54.61 5gal s LEU 129 Cb -0.27 -3.10 -0.25 0.00 0.50 0.00 0.00 46.19 43.07 5gal s LEU 129 CO 0.04 -0.57 0.38 -0.78 -1.32 0.00 0.00 176.35 174.10 5gal h ASP 130 N 7.97 0.34 -3.86 3.68 3.58 -1.58 -3.49 116.42 123.07 5gal h ASP 130 Ca -0.24 -0.85 0.07 0.00 0.42 0.00 0.00 57.03 56.43 5gal h ASP 130 Cb 1.10 -0.11 -0.24 0.00 1.72 0.00 0.00 39.33 41.80 5gal h ASP 130 CO 0.87 1.75 0.51 -0.94 -2.88 0.00 0.00 179.24 178.55 5gal s SER 131 N -7.03 -0.40 -0.14 2.28 1.04 -0.95 -5.01 113.70 103.49 5gal s SER 131 Ca -0.23 0.55 0.01 0.00 0.48 0.00 0.00 55.95 56.76 5gal s SER 131 Cb 0.06 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.68 5gal s SER 131 CO 0.74 -0.29 -0.16 -0.69 0.98 0.00 0.00 173.24 173.82 5gal s VAL 132 N -0.71 1.66 -0.03 5.02 1.01 -1.26 -1.16 120.40 124.94 5gal s VAL 132 Ca -0.01 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.31 5gal s VAL 132 Cb -0.02 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 5gal s VAL 132 CO -0.01 0.47 -0.16 -0.13 0.00 0.00 0.00 175.10 175.28 5gal s ARG 133 N 1.25 1.47 -0.19 2.72 1.81 -0.46 -4.98 118.95 120.57 5gal s ARG 133 Ca 0.00 -0.57 -0.04 0.00 -1.72 0.00 0.00 55.73 53.40 5gal s ARG 133 Cb -0.14 -1.35 -0.02 0.00 -0.45 0.00 0.00 34.95 32.99 5gal s ARG 133 CO -0.07 0.29 -0.04 0.42 -0.68 0.00 0.00 175.30 175.22 5gal s ILE 134 N -0.18 3.65 -0.58 1.52 1.01 -1.26 -0.13 121.20 125.23 5gal s ILE 134 Ca 0.02 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.29 5gal s ILE 134 Cb -0.08 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.79 5gal s ILE 134 CO 0.00 0.45 0.65 0.49 0.00 0.00 0.00 174.94 176.53