#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gum s ASN 2 N 0.00 0.07 0.27 6.12 2.20 -1.26 -5.04 114.94 117.30 3gum s ASN 2 Ca 0.00 -1.02 -0.01 0.00 -0.94 0.00 0.00 52.86 50.88 3gum s ASN 2 Cb 0.00 0.74 0.45 0.00 -2.00 0.00 0.00 41.25 40.44 3gum s ASN 2 CO 0.00 -1.43 1.86 -0.29 -2.94 0.00 0.00 177.10 174.30 3gum h ILE 3 N 2.07 1.02 0.23 0.54 6.09 -2.00 0.15 117.51 125.60 3gum h ILE 3 Ca -0.27 -0.37 -0.01 0.00 -1.37 0.00 0.00 64.86 62.84 3gum h ILE 3 Cb 1.25 -0.16 0.00 0.00 0.47 0.00 0.00 36.82 38.38 3gum h ILE 3 CO 0.35 0.20 -0.11 -0.26 -3.07 0.00 0.00 178.15 175.25 3gum h PHE 4 N 1.09 -0.29 -0.74 2.19 0.04 -1.98 0.58 116.94 117.83 3gum h PHE 4 Ca 0.45 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.30 3gum h PHE 4 Cb 0.29 0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.47 3gum h PHE 4 CO -0.01 0.06 0.39 0.93 -0.60 0.00 0.00 178.31 179.09 3gum h GLU 5 N -0.70 0.65 -0.51 1.51 5.08 -1.96 0.21 114.58 118.87 3gum h GLU 5 Ca -0.03 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3gum h GLU 5 Cb 0.48 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3gum h GLU 5 CO 0.05 0.43 0.31 1.98 -1.00 0.00 0.00 179.01 180.78 3gum h MET 6 N 0.67 0.60 -0.00 2.33 4.05 -0.56 -1.98 114.93 120.04 3gum h MET 6 Ca 0.36 -0.04 -0.18 0.00 -0.28 0.00 0.00 59.70 59.56 3gum h MET 6 Cb 0.34 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.98 3gum h MET 6 CO -0.25 0.40 -0.81 -0.07 0.23 0.00 0.00 176.91 176.41 3gum h LEU 7 N 0.62 0.11 -1.36 3.39 3.38 -0.56 -2.23 115.31 118.66 3gum h LEU 7 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3gum h LEU 7 Cb 0.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3gum h LEU 7 CO -0.09 0.87 0.40 0.03 0.09 0.00 0.00 178.44 179.74 3gum h ARG 8 N 0.05 0.83 0.15 1.13 3.08 -0.41 0.45 114.38 119.65 3gum h ARG 8 Ca -0.02 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3gum h ARG 8 Cb 1.41 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3gum h ARG 8 CO 0.11 0.56 -0.07 0.82 -1.07 0.00 0.00 179.97 180.32 3gum h ILE 9 N 0.85 0.99 -0.22 2.04 2.04 -1.30 -1.60 117.51 120.32 3gum h ILE 9 Ca 0.23 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.20 3gum h ILE 9 Cb -0.07 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3gum h ILE 9 CO -0.05 0.17 -0.41 0.44 0.00 0.00 0.00 178.15 178.31 3gum h ASP 10 N -0.58 0.54 0.00 1.72 3.32 -1.17 -3.32 116.42 116.93 3gum h ASP 10 Ca -0.02 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3gum h ASP 10 Cb 0.44 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3gum h ASP 10 CO 0.03 0.89 -1.37 -0.62 -1.72 0.00 0.00 179.24 176.45 3gum n GLU 11 N -4.03 0.33 -0.44 3.56 -0.58 0.15 -4.82 120.64 114.81 3gum n GLU 11 Ca -0.02 -0.08 0.06 0.00 -0.42 0.00 0.00 57.16 56.71 3gum n GLU 11 Cb 0.51 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.87 3gum n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gum n GLY 12 N 1.41 -1.42 2.83 0.62 0.00 -0.60 -4.28 105.19 103.74 3gum n GLY 12 Ca 0.01 -1.12 -0.24 0.00 0.00 0.00 0.00 46.02 44.67 3gum n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gum s LEU 13 N 0.00 0.86 -0.09 0.99 2.96 -1.26 -4.31 118.68 117.83 3gum s LEU 13 Ca 0.00 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3gum s LEU 13 Cb 0.00 -0.56 0.04 0.00 0.50 0.00 0.00 46.19 46.17 3gum s LEU 13 CO 0.00 -0.15 0.03 -0.13 -1.32 0.00 0.00 176.35 174.78 3gum s ARG 14 N 1.74 0.42 -0.23 1.98 1.81 -0.87 -5.02 118.95 118.79 3gum s ARG 14 Ca 0.03 0.06 -0.00 0.00 -1.72 0.00 0.00 55.73 54.09 3gum s ARG 14 Cb -0.13 -1.15 0.19 0.00 -0.45 0.00 0.00 34.95 33.42 3gum s ARG 14 CO -0.05 -0.40 1.83 1.28 -0.68 0.00 0.00 175.30 177.28 3gum n LEU 15 N 5.18 5.73 -3.96 2.53 4.77 -1.26 -0.54 117.00 129.45 3gum n LEU 15 Ca -0.07 -2.89 -0.09 0.00 -0.03 0.00 0.00 56.01 52.93 3gum n LEU 15 Cb 0.49 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 3gum n LEU 15 CO 0.10 1.05 0.14 -0.75 -1.33 0.00 0.00 177.39 176.60 3gum s LYS 16 N -1.38 1.44 0.58 3.23 2.20 -1.26 -2.78 119.74 121.76 3gum s LYS 16 Ca 0.24 -1.19 -0.16 0.00 -0.36 0.00 0.00 55.97 54.50 3gum s LYS 16 Cb 0.19 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.92 3gum s LYS 16 CO 0.01 -0.58 1.05 0.42 -0.36 0.00 0.00 175.35 175.88 3gum s ILE 17 N -3.99 3.87 0.26 5.43 1.01 -1.01 -4.31 121.20 122.46 3gum s ILE 17 Ca 0.20 0.91 -0.15 0.00 0.00 0.00 0.00 60.65 61.61 3gum s ILE 17 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3gum s ILE 17 CO 0.06 -0.50 0.54 -0.72 0.00 0.00 0.00 174.94 174.32 3gum s TYR 18 N -2.43 0.23 -0.21 3.97 1.13 -0.31 -4.97 117.35 114.76 3gum s TYR 18 Ca 0.64 -0.62 -0.10 0.00 -1.41 0.00 0.00 57.07 55.57 3gum s TYR 18 Cb -0.16 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 40.97 3gum s TYR 18 CO 0.35 -1.06 0.15 0.15 -2.51 0.00 0.00 175.55 172.63 3gum s LYS 19 N -3.97 4.16 0.14 -3.49 1.02 -1.26 -1.08 119.74 115.25 3gum s LYS 19 Ca 0.20 -0.22 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 3gum s LYS 19 Cb -0.02 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 3gum s LYS 19 CO 0.09 0.22 0.16 -0.40 -0.92 0.00 0.00 175.35 174.50 3gum n ASP 20 N 3.76 -0.44 0.16 2.83 5.68 -0.21 -4.85 116.55 123.48 3gum n ASP 20 Ca -0.15 -0.87 0.02 0.00 -0.50 0.00 0.00 54.79 53.28 3gum n ASP 20 Cb 0.52 -0.13 0.27 0.00 -1.14 0.00 0.00 41.12 40.64 3gum n ASP 20 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gum n GLU 22 N -3.75 0.19 -0.14 0.00 2.13 -1.26 -4.82 120.64 112.99 3gum n GLU 22 Ca -0.01 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.96 3gum n GLU 22 Cb 0.54 -1.71 0.00 0.00 0.27 0.00 0.00 31.44 30.54 3gum n GLU 22 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gum n GLY 23 N 1.36 0.72 3.90 8.31 0.00 -0.78 -5.07 105.19 113.63 3gum n GLY 23 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3gum n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gum s TYR 24 N -2.17 3.53 0.08 1.61 2.02 -1.26 -4.63 117.35 116.52 3gum s TYR 24 Ca 0.00 0.79 -0.30 0.00 -0.37 0.00 0.00 57.07 57.19 3gum s TYR 24 Cb 0.00 -2.26 -0.05 0.00 -0.40 0.00 0.00 41.96 39.25 3gum s TYR 24 CO 0.00 -0.15 1.03 0.71 -1.57 0.00 0.00 175.55 175.57 3gum s TYR 25 N -2.55 3.66 0.12 2.71 2.02 -1.23 -1.05 117.35 121.03 3gum s TYR 25 Ca 0.47 1.65 -0.06 0.00 -0.37 0.00 0.00 57.07 58.76 3gum s TYR 25 Cb -0.10 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.27 3gum s TYR 25 CO 0.39 -0.24 0.17 0.99 -1.57 0.00 0.00 175.55 175.29 3gum s THR 26 N 0.47 0.12 0.27 -0.71 2.01 -0.24 -1.16 115.64 116.40 3gum s THR 26 Ca 0.51 -1.47 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 3gum s THR 26 Cb -0.25 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.62 3gum s THR 26 CO 0.30 -0.54 0.69 -0.51 -0.69 0.00 0.00 174.62 173.87 3gum s ILE 27 N -3.94 0.00 0.00 1.82 2.07 -0.67 -1.17 121.20 119.32 3gum s ILE 27 Ca 0.13 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.38 3gum s ILE 27 Cb 0.05 -1.97 0.00 0.00 0.13 0.00 0.00 42.46 40.67 3gum s ILE 27 CO -0.05 -0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 3gum n GLY 28 N -0.45 2.77 3.23 1.50 0.00 0.30 -1.27 105.19 111.28 3gum n GLY 28 Ca -0.04 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3gum n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gum s ILE 29 N 0.00 5.09 -1.76 -0.61 1.01 -1.26 -2.04 121.20 121.63 3gum s ILE 29 Ca 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 60.65 57.39 3gum s ILE 29 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3gum s ILE 29 CO 0.00 -1.07 0.00 0.61 0.00 0.00 0.00 174.94 174.48 3gum n GLY 30 N 3.00 0.09 3.60 6.18 0.00 -1.25 -4.82 105.19 112.01 3gum n GLY 30 Ca 0.18 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3gum n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gum s HIS 31 N -2.92 2.97 -0.22 1.61 5.04 -0.39 -4.92 115.29 116.46 3gum s HIS 31 Ca 0.00 0.76 -0.29 0.00 -1.54 0.00 0.00 55.06 53.99 3gum s HIS 31 Cb 0.00 -3.99 0.01 0.00 0.04 0.00 0.00 32.58 28.64 3gum s HIS 31 CO 0.00 -1.02 1.08 -1.17 -2.34 0.00 0.00 174.74 171.29 3gum s LEU 32 N 3.90 4.12 -0.15 8.88 2.96 -1.26 -1.66 118.68 135.45 3gum s LEU 32 Ca 0.43 1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 55.57 3gum s LEU 32 Cb -0.10 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.87 3gum s LEU 32 CO 0.24 -0.68 0.40 -0.07 -1.32 0.00 0.00 176.35 174.92 3gum h LEU 33 N 9.48 0.00 -7.00 -0.68 3.38 -1.49 -3.49 115.31 115.51 3gum h LEU 33 Ca -0.21 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.18 3gum h LEU 33 Cb 1.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 3gum h LEU 33 CO 0.98 1.04 0.41 0.28 0.09 0.00 0.00 178.44 181.23 3gum s THR 34 N -2.16 0.00 0.31 0.22 -1.32 -1.24 -4.90 115.64 106.55 3gum s THR 34 Ca -0.19 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.35 3gum s THR 34 Cb 0.00 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 3gum s THR 34 CO 0.51 0.00 1.77 0.11 -2.21 0.00 0.00 174.62 174.80 3gum h LYS 35 N 3.01 0.37 -6.10 7.08 1.57 -1.95 -3.26 116.57 117.30 3gum h LYS 35 Ca -0.23 -0.13 -0.61 0.00 -1.87 0.00 0.00 60.65 57.81 3gum h LYS 35 Cb 1.16 -0.03 0.16 0.00 0.08 0.00 0.00 32.23 33.60 3gum h LYS 35 CO 0.30 0.59 -0.83 0.43 -0.57 0.00 0.00 179.45 179.38 3gum n SER 36 N -4.15 -2.44 -0.40 0.86 7.64 -1.26 -4.63 113.62 109.24 3gum n SER 36 Ca -0.00 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.69 3gum n SER 36 Cb 0.38 -0.94 0.02 0.00 -1.01 0.00 0.00 64.21 62.65 3gum n SER 36 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3gum n PRO 37 N 1.12 1.17 -3.33 1.43 -0.04 -1.26 -4.69 135.00 129.39 3gum n PRO 37 Ca 0.11 -0.16 -0.47 0.00 -0.04 0.00 0.00 63.50 62.95 3gum n PRO 37 Cb 0.41 -1.37 -0.02 0.00 -0.04 0.00 0.00 33.50 32.49 3gum n PRO 37 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gum s ASP 38 N -0.37 6.88 0.00 3.54 3.68 -1.26 -4.92 116.67 124.23 3gum s ASP 38 Ca 0.03 -2.88 0.00 0.00 2.13 0.00 0.00 52.55 51.83 3gum s ASP 38 Cb 0.02 -2.21 0.00 0.00 -1.45 0.00 0.00 42.92 39.28 3gum s ASP 38 CO 0.01 -0.52 0.51 0.00 0.13 0.00 0.00 175.17 175.31 3gum n LEU 39 N 3.72 0.00 -0.10 -1.34 -0.00 -1.26 0.61 117.00 118.64 3gum n LEU 39 Ca 0.16 0.13 -0.24 0.00 -0.00 0.00 0.00 56.01 56.06 3gum n LEU 39 Cb 0.45 -0.13 -0.12 0.00 -0.00 0.00 0.00 43.42 43.63 3gum n LEU 39 CO 0.36 -0.13 -0.91 0.59 -0.00 0.00 0.00 177.39 177.30 3gum n ASN 40 N -1.01 1.95 -0.14 1.45 4.13 -1.26 -3.44 115.26 116.94 3gum n ASN 40 Ca 0.00 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.57 3gum n ASN 40 Cb 0.15 -0.85 0.27 0.00 -1.54 0.00 0.00 39.78 37.81 3gum n ASN 40 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gum h ALA 41 N -0.47 1.45 -0.16 5.41 0.00 -0.24 0.16 119.26 125.40 3gum h ALA 41 Ca -0.48 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 3gum h ALA 41 Cb 1.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3gum h ALA 41 CO -0.20 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.37 3gum h ALA 42 N 1.53 1.48 0.00 0.00 0.00 -1.64 -1.21 119.26 119.43 3gum h ALA 42 Ca 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gum h ALA 42 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3gum h ALA 42 CO -0.04 0.37 -0.20 -0.22 0.00 0.00 0.00 179.25 179.16 3gum h LYS 43 N 0.24 0.00 0.03 0.00 3.64 -0.73 -2.14 116.57 117.61 3gum h LYS 43 Ca 0.05 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.11 3gum h LYS 43 Cb 0.39 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3gum h LYS 43 CO 0.02 0.20 -1.83 -1.13 -2.27 0.00 0.00 179.45 174.44 3gum n SER 44 N -3.22 1.16 -0.36 4.20 3.41 -0.85 -3.39 113.62 114.57 3gum n SER 44 Ca 0.02 0.33 0.02 0.00 -0.26 0.00 0.00 58.87 58.98 3gum n SER 44 Cb 0.52 -0.22 0.17 0.00 -0.26 0.00 0.00 64.21 64.43 3gum n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gum h GLU 45 N 0.02 1.10 0.14 4.33 4.39 -1.11 0.11 114.58 123.56 3gum h GLU 45 Ca -0.34 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.31 3gum h GLU 45 Cb 2.03 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 30.39 3gum h GLU 45 CO 0.08 0.73 -0.34 1.25 -1.16 0.00 0.00 179.01 179.56 3gum h LEU 46 N 1.14 -0.99 -0.90 1.33 5.85 -1.54 0.47 115.31 120.66 3gum h LEU 46 Ca 0.43 0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.35 3gum h LEU 46 Cb 0.18 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 3gum h LEU 46 CO -0.18 -0.43 0.55 0.44 -0.34 0.00 0.00 178.44 178.48 3gum h ASP 47 N -0.58 0.83 -0.24 1.25 5.19 -1.42 -0.94 116.42 120.50 3gum h ASP 47 Ca 0.03 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 3gum h ASP 47 Cb 0.61 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3gum h ASP 47 CO -0.19 0.49 -0.03 0.50 -3.12 0.00 0.00 179.24 176.88 3gum h LYS 48 N 0.94 0.45 -0.88 3.56 3.64 -0.66 -0.63 116.57 122.99 3gum h LYS 48 Ca 0.42 -0.16 0.07 0.00 -1.27 0.00 0.00 60.65 59.71 3gum h LYS 48 Cb 0.32 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3gum h LYS 48 CO -0.22 0.66 0.57 0.00 -2.27 0.00 0.00 179.45 178.18 3gum h ALA 49 N 0.78 1.55 0.00 5.00 0.00 0.56 -3.21 119.26 123.94 3gum h ALA 49 Ca 0.06 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 3gum h ALA 49 Cb 0.47 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3gum h ALA 49 CO 0.02 0.31 -1.95 -0.89 0.00 0.00 0.00 179.25 176.74 3gum n ILE 50 N -4.49 1.33 -0.48 0.00 2.08 -0.41 -4.99 119.36 112.38 3gum n ILE 50 Ca 0.13 -0.78 0.00 0.00 0.56 0.00 0.00 62.75 62.66 3gum n ILE 50 Cb 0.21 -0.67 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 3gum n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gum n GLY 51 N 1.58 0.71 3.58 7.39 0.00 -0.30 -5.07 105.19 113.08 3gum n GLY 51 Ca -0.21 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 3gum n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gum s ARG 52 N -0.97 1.46 -0.46 1.61 1.70 -0.84 -5.05 118.95 116.41 3gum s ARG 52 Ca 0.00 -0.71 -0.28 0.00 -0.47 0.00 0.00 55.73 54.27 3gum s ARG 52 Cb 0.00 0.58 0.03 0.00 -0.57 0.00 0.00 34.95 34.99 3gum s ARG 52 CO 0.00 -0.65 1.08 -0.80 -1.08 0.00 0.00 175.30 173.86 3gum s ASN 53 N -2.83 6.63 -0.05 -2.89 0.01 -1.26 -3.99 114.94 110.56 3gum s ASN 53 Ca 0.06 0.45 -0.06 0.00 -0.71 0.00 0.00 52.86 52.59 3gum s ASN 53 Cb -0.03 -2.53 -0.28 0.00 0.41 0.00 0.00 41.25 38.82 3gum s ASN 53 CO -0.05 -1.17 0.64 0.00 -1.51 0.00 0.00 177.10 175.02 3gum h ASN 55 N 0.08 0.20 0.00 0.00 4.21 -1.93 -3.27 115.58 114.87 3gum h ASN 55 Ca -0.33 -0.27 0.00 0.00 1.21 0.00 0.00 56.30 56.91 3gum h ASN 55 Cb 2.06 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 39.19 3gum h ASN 55 CO 0.15 1.22 -0.16 0.61 -1.29 0.00 0.00 177.43 177.96 3gum n GLY 56 N 1.53 2.36 3.05 2.83 0.00 -1.26 -4.54 105.19 109.16 3gum n GLY 56 Ca -0.10 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 3gum n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gum s VAL 57 N -1.38 1.20 0.34 1.61 1.01 -1.23 -2.39 120.40 119.56 3gum s VAL 57 Ca 0.14 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.67 3gum s VAL 57 Cb 0.12 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 3gum s VAL 57 CO 0.01 0.37 -0.04 0.27 0.00 0.00 0.00 175.10 175.71 3gum s ILE 58 N 0.48 2.48 0.73 2.22 -4.36 -1.12 -4.74 121.20 116.90 3gum s ILE 58 Ca -0.12 -2.08 -0.05 0.00 -0.26 0.00 0.00 60.65 58.14 3gum s ILE 58 Cb -0.14 -2.72 0.10 0.00 1.25 0.00 0.00 42.46 40.94 3gum s ILE 58 CO 0.03 -0.21 1.03 0.42 0.24 0.00 0.00 174.94 176.45 3gum s THR 59 N -2.55 2.24 0.09 8.37 -4.23 -1.26 -4.53 115.64 113.77 3gum s THR 59 Ca 0.34 -0.38 -0.16 0.00 -1.18 0.00 0.00 61.69 60.31 3gum s THR 59 Cb 0.01 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 3gum s THR 59 CO 0.18 0.00 1.47 0.50 -0.54 0.00 0.00 174.62 176.23 3gum h LYS 60 N -0.66 0.59 -0.55 3.99 3.64 -1.97 -1.22 116.57 120.40 3gum h LYS 60 Ca -0.42 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 58.65 3gum h LYS 60 Cb 1.29 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 3gum h LYS 60 CO 0.50 0.82 0.11 -0.44 -2.27 0.00 0.00 179.45 178.17 3gum h ASP 61 N 0.34 0.80 -0.11 4.20 5.19 -1.99 -0.65 116.42 124.21 3gum h ASP 61 Ca 0.07 -0.15 -0.15 0.00 -0.62 0.00 0.00 57.03 56.17 3gum h ASP 61 Cb 0.63 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 3gum h ASP 61 CO 0.04 0.80 -0.47 -0.33 -3.12 0.00 0.00 179.24 176.16 3gum h GLU 62 N 0.81 0.67 -0.99 3.56 5.08 -1.95 -2.15 114.58 119.61 3gum h GLU 62 Ca 0.17 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3gum h GLU 62 Cb 0.33 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 3gum h GLU 62 CO 0.00 0.99 0.65 0.00 -1.00 0.00 0.00 179.01 179.66 3gum h ALA 63 N 0.95 1.26 0.00 3.43 0.00 -0.70 -1.39 119.26 122.82 3gum h ALA 63 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3gum h ALA 63 Cb 1.02 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3gum h ALA 63 CO 0.10 0.62 -0.49 0.93 0.00 0.00 0.00 179.25 180.41 3gum h GLU 64 N 1.32 0.00 0.02 0.00 4.39 -0.95 -0.76 114.58 118.60 3gum h GLU 64 Ca 0.37 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.07 3gum h GLU 64 Cb -0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3gum h GLU 64 CO -0.09 0.49 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.02 3gum h LYS 65 N 0.00 -0.03 -0.98 2.33 3.64 -1.02 -1.50 116.57 119.01 3gum h LYS 65 Ca -0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3gum h LYS 65 Cb 1.23 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 3gum h LYS 65 CO 0.06 0.50 0.62 -0.07 -2.27 0.00 0.00 179.45 178.29 3gum h LEU 66 N -0.56 0.93 0.28 5.20 3.38 -1.21 -1.83 115.31 121.50 3gum h LEU 66 Ca -0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gum h LEU 66 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3gum h LEU 66 CO 0.00 0.53 -0.13 0.15 0.09 0.00 0.00 178.44 179.08 3gum h PHE 67 N 1.03 -0.35 -0.66 1.13 3.57 -1.02 -0.87 116.94 119.77 3gum h PHE 67 Ca 0.46 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.10 3gum h PHE 67 Cb 0.37 0.12 -0.11 0.00 2.79 0.00 0.00 35.95 39.12 3gum h PHE 67 CO -0.01 -0.15 0.05 -0.97 -2.23 0.00 0.00 178.31 175.00 3gum h ASN 68 N -0.46 -0.19 -0.55 0.41 -0.00 -1.08 -0.36 115.58 113.35 3gum h ASN 68 Ca -0.04 0.15 -0.08 0.00 -0.00 0.00 0.00 56.30 56.33 3gum h ASN 68 Cb 0.35 0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.90 3gum h ASN 68 CO 0.06 -0.09 0.03 1.56 -0.00 0.00 0.00 177.43 178.99 3gum h GLN 69 N 0.16 0.98 -0.15 6.67 4.20 -1.00 -2.78 115.11 123.20 3gum h GLN 69 Ca 0.35 -0.28 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 3gum h GLN 69 Cb 0.59 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3gum h GLN 69 CO -0.53 0.95 -0.53 -0.44 -0.67 0.00 0.00 178.83 177.61 3gum h ASP 70 N 0.91 0.49 0.09 1.46 3.32 -0.61 -0.03 116.42 122.05 3gum h ASP 70 Ca 0.17 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3gum h ASP 70 Cb 0.48 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3gum h ASP 70 CO 0.02 0.92 -0.04 0.58 -1.72 0.00 0.00 179.24 179.00 3gum h VAL 71 N 0.34 1.04 -0.43 -1.35 2.07 -0.99 -2.31 116.25 114.62 3gum h VAL 71 Ca 0.01 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.15 3gum h VAL 71 Cb 1.04 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 32.05 3gum h VAL 71 CO 0.09 0.11 -0.27 -0.78 0.02 0.00 0.00 177.57 176.75 3gum h ASP 72 N -0.34 -0.91 0.07 0.57 1.82 -1.49 -0.77 116.42 115.37 3gum h ASP 72 Ca -0.01 0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 3gum h ASP 72 Cb 0.28 0.45 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 3gum h ASP 72 CO 0.02 -0.28 -0.06 0.00 -1.61 0.00 0.00 179.24 177.30 3gum h ALA 73 N 0.97 1.83 -0.14 -0.78 0.00 -0.97 0.12 119.26 120.29 3gum h ALA 73 Ca 0.20 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3gum h ALA 73 Cb 0.50 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gum h ALA 73 CO -0.54 0.08 -0.77 0.00 0.00 0.00 0.00 179.25 178.03 3gum h ALA 74 N 1.94 0.28 -0.03 0.00 0.00 -0.59 -0.35 119.26 120.50 3gum h ALA 74 Ca -0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 3gum h ALA 74 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3gum h ALA 74 CO 0.01 0.64 0.00 0.28 0.00 0.00 0.00 179.25 180.18 3gum h VAL 75 N 0.48 1.24 -0.19 0.00 2.07 -0.77 -1.86 116.25 117.22 3gum h VAL 75 Ca -0.06 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3gum h VAL 75 Cb 1.40 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3gum h VAL 75 CO 0.16 0.20 -0.01 0.03 0.02 0.00 0.00 177.57 177.96 3gum h ARG 76 N -0.25 0.05 -0.90 1.57 3.08 -1.01 -1.93 114.38 114.99 3gum h ARG 76 Ca 0.01 -0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 3gum h ARG 76 Cb 0.32 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.27 3gum h ARG 76 CO 0.00 0.03 0.51 0.78 -1.07 0.00 0.00 179.97 180.22 3gum h GLY 77 N 0.05 1.47 0.88 0.04 0.00 -0.94 -0.35 103.07 104.22 3gum h GLY 77 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3gum h GLY 77 CO -0.16 0.03 -0.04 -2.22 0.00 0.00 0.00 176.54 174.15 3gum h ILE 78 N 0.75 0.99 0.00 2.60 2.04 -1.02 -2.74 117.51 120.13 3gum h ILE 78 Ca 0.47 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 3gum h ILE 78 Cb 0.60 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3gum h ILE 78 CO -0.32 0.06 -0.19 -0.07 0.00 0.00 0.00 178.15 177.63 3gum h LEU 79 N -0.24 0.00 0.00 1.44 3.38 -0.56 -2.45 115.31 116.89 3gum h LEU 79 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gum h LEU 79 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3gum h LEU 79 CO 0.02 0.19 -0.67 0.03 0.09 0.00 0.00 178.44 178.10 3gum h ARG 80 N 0.00 0.00 -5.92 1.13 3.08 -1.14 -3.46 114.38 108.07 3gum h ARG 80 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.46 3gum h ARG 80 Cb 0.46 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 3gum h ARG 80 CO 0.02 0.00 0.50 1.21 -1.07 0.00 0.00 179.97 180.63 3gum s ASN 81 N -5.14 6.94 0.45 7.04 3.84 -0.93 -4.94 114.94 122.20 3gum s ASN 81 Ca 0.03 1.17 0.18 0.00 0.21 0.00 0.00 52.86 54.45 3gum s ASN 81 Cb 0.10 -2.47 1.05 0.00 -0.55 0.00 0.00 41.25 39.38 3gum s ASN 81 CO 0.74 -0.49 1.97 0.00 -2.79 0.00 0.00 177.10 176.53 3gum h ALA 82 N 7.48 1.50 0.13 1.71 0.00 -1.88 0.09 119.26 128.29 3gum h ALA 82 Ca -0.25 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.17 3gum h ALA 82 Cb 1.11 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.89 3gum h ALA 82 CO 0.87 0.27 -1.25 0.87 0.00 0.00 0.00 179.25 180.01 3gum h LYS 83 N 0.00 0.55 0.22 0.00 1.57 -1.92 -3.38 116.57 113.61 3gum h LYS 83 Ca -0.00 -0.77 -0.33 0.00 -1.87 0.00 0.00 60.65 57.68 3gum h LYS 83 Cb 0.42 0.26 0.03 0.00 0.08 0.00 0.00 32.23 33.01 3gum h LYS 83 CO 0.03 1.34 -1.50 -0.07 -0.57 0.00 0.00 179.45 178.68 3gum h LEU 84 N 0.23 0.72 0.59 2.94 3.38 -1.76 -3.38 115.31 118.02 3gum h LEU 84 Ca -0.18 -0.83 -0.02 0.00 0.09 0.00 0.00 57.88 56.94 3gum h LEU 84 Cb 1.93 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 3gum h LEU 84 CO 0.23 1.66 -0.48 0.50 0.09 0.00 0.00 178.44 180.44 3gum h LYS 85 N 0.13 -1.00 -0.50 1.13 3.64 -0.91 0.69 116.57 119.74 3gum h LYS 85 Ca -0.25 0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3gum h LYS 85 Cb 2.12 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 34.14 3gum h LYS 85 CO 0.24 -0.67 0.34 -1.00 -2.27 0.00 0.00 179.45 176.09 3gum h PRO 86 N -1.04 0.31 0.34 1.90 0.13 -1.78 -0.60 132.00 131.26 3gum h PRO 86 Ca -0.07 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 3gum h PRO 86 Cb 0.88 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3gum h PRO 86 CO -0.00 0.20 -0.16 0.28 -0.23 0.00 0.00 178.00 178.08 3gum h VAL 87 N 0.32 0.65 -0.74 1.56 2.07 -1.64 -2.66 116.25 115.80 3gum h VAL 87 Ca 0.23 -0.50 0.17 0.00 0.82 0.00 0.00 66.70 67.42 3gum h VAL 87 Cb 0.49 0.90 -0.12 0.00 -1.52 0.00 0.00 31.29 31.03 3gum h VAL 87 CO -0.05 0.09 0.10 0.22 0.02 0.00 0.00 177.57 177.95 3gum h TYR 88 N -0.75 0.12 0.00 1.57 3.20 -0.14 -2.16 116.97 118.81 3gum h TYR 88 Ca -0.05 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3gum h TYR 88 Cb 0.51 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3gum h TYR 88 CO 0.01 -0.17 -0.30 -0.44 -1.64 0.00 0.00 178.16 175.63 3gum h ASP 89 N 0.18 0.00 1.33 -2.11 3.32 -1.06 -2.40 116.42 115.69 3gum h ASP 89 Ca 0.42 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.43 3gum h ASP 89 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3gum h ASP 89 CO -0.58 0.30 -0.18 0.77 -1.72 0.00 0.00 179.24 177.83 3gum h SER 90 N 0.00 0.00 -4.07 6.45 4.64 -1.03 -3.47 113.55 116.08 3gum h SER 90 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.83 3gum h SER 90 Cb 0.61 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.74 3gum h SER 90 CO 0.04 0.18 0.41 -0.76 -0.87 0.00 0.00 176.83 175.82 3gum s LEU 91 N -6.45 3.83 0.92 5.97 1.43 -0.90 -5.05 118.68 118.42 3gum s LEU 91 Ca 0.03 2.05 -0.12 0.00 -1.03 0.00 0.00 54.13 55.06 3gum s LEU 91 Cb 0.08 -4.54 0.14 0.00 0.03 0.00 0.00 46.19 41.90 3gum s LEU 91 CO 0.65 -0.95 1.09 1.51 0.23 0.00 0.00 176.35 178.88 3gum s ASP 92 N -1.85 3.31 0.21 2.29 -4.77 -1.26 -4.77 116.67 109.82 3gum s ASP 92 Ca 0.69 1.43 -0.12 0.00 -3.30 0.00 0.00 52.55 51.25 3gum s ASP 92 Cb -0.20 -2.10 0.26 0.00 -1.09 0.00 0.00 42.92 39.79 3gum s ASP 92 CO 0.24 -2.73 1.66 0.00 0.70 0.00 0.00 175.17 175.04 3gum h ALA 93 N -1.61 0.55 0.05 2.11 0.00 -1.97 -1.47 119.26 116.93 3gum h ALA 93 Ca -0.50 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gum h ALA 93 Cb 1.29 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3gum h ALA 93 CO 0.55 -0.40 -0.02 0.28 0.00 0.00 0.00 179.25 179.66 3gum h VAL 94 N 0.10 1.25 -0.45 0.00 2.07 -1.93 -3.02 116.25 114.28 3gum h VAL 94 Ca 0.30 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3gum h VAL 94 Cb 0.48 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 3gum h VAL 94 CO -0.51 0.25 0.30 0.03 0.02 0.00 0.00 177.57 177.66 3gum h ARG 95 N -0.52 0.38 -1.70 1.57 3.08 -1.82 -2.49 114.38 112.88 3gum h ARG 95 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3gum h ARG 95 Cb 0.46 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3gum h ARG 95 CO 0.01 0.25 0.00 0.54 -1.07 0.00 0.00 179.97 179.70 3gum n ARG 96 N -4.48 0.00 0.00 0.04 1.74 -0.56 -0.86 116.66 112.54 3gum n ARG 96 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3gum n ARG 96 Cb 0.23 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3gum n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gum n ALA 98 N 0.87 0.00 -0.05 7.54 0.00 -0.94 -1.55 120.51 126.37 3gum n ALA 98 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3gum n ALA 98 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3gum n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gum h ALA 99 N 0.00 0.26 -0.72 0.00 0.00 -1.30 -0.82 119.26 116.68 3gum h ALA 99 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3gum h ALA 99 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gum h ALA 99 CO 0.00 -0.32 0.18 0.82 0.00 0.00 0.00 179.25 179.93 3gum h ILE 100 N 0.21 1.26 -0.16 0.00 2.04 -1.55 -2.49 117.51 116.82 3gum h ILE 100 Ca 0.09 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3gum h ILE 100 Cb 0.04 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3gum h ILE 100 CO -0.08 0.37 0.09 -1.13 0.00 0.00 0.00 178.15 177.40 3gum h ASN 101 N 1.09 0.15 -0.50 1.72 -0.73 -1.77 0.03 115.58 115.56 3gum h ASN 101 Ca 0.23 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 3gum h ASN 101 Cb 0.36 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 3gum h ASN 101 CO 0.00 0.11 0.17 -0.08 -0.37 0.00 0.00 177.43 177.26 3gum h GLU 102 N 0.19 0.83 -0.12 6.67 4.81 -0.86 -0.48 114.58 125.63 3gum h GLU 102 Ca 0.06 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 3gum h GLU 102 Cb -0.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3gum h GLU 102 CO -0.03 0.72 -0.57 0.28 -0.73 0.00 0.00 179.01 178.68 3gum h VAL 103 N 0.81 1.35 -0.37 0.32 2.07 -1.19 0.12 116.25 119.36 3gum h VAL 103 Ca 0.18 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 3gum h VAL 103 Cb 0.24 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3gum h VAL 103 CO -0.01 0.56 0.09 0.15 0.02 0.00 0.00 177.57 178.38 3gum h PHE 104 N 0.27 0.62 0.18 1.57 3.04 -0.11 0.44 116.94 122.96 3gum h PHE 104 Ca 0.00 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.87 3gum h PHE 104 Cb 1.08 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.41 3gum h PHE 104 CO 0.03 0.61 -0.09 1.96 -2.02 0.00 0.00 178.31 178.81 3gum h GLN 105 N 0.45 -0.23 0.00 1.11 4.20 -1.03 -3.38 115.11 116.23 3gum h GLN 105 Ca 0.12 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 3gum h GLN 105 Cb 0.31 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3gum h GLN 105 CO 0.00 0.17 -1.63 -1.33 -0.67 0.00 0.00 178.83 175.37 3gum n MET 106 N -4.98 0.64 0.00 1.46 2.81 0.02 -5.09 117.12 111.98 3gum n MET 106 Ca -0.09 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 3gum n MET 106 Cb 0.26 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.09 3gum n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gum n GLY 107 N 1.34 -1.75 0.21 3.03 0.00 0.15 -4.38 105.19 103.80 3gum n GLY 107 Ca -0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.43 3gum n GLY 107 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gum h VAL 108 N 0.00 0.95 0.18 1.61 2.07 -1.93 -3.07 116.25 116.07 3gum h VAL 108 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3gum h VAL 108 Cb 0.00 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3gum h VAL 108 CO 0.00 0.09 -0.09 0.74 0.02 0.00 0.00 177.57 178.33 3gum h THR 109 N 0.50 0.82 -0.17 2.57 2.02 -1.97 -0.45 112.91 116.24 3gum h THR 109 Ca 0.22 -0.01 0.02 0.00 0.77 0.00 0.00 66.41 67.41 3gum h THR 109 Cb 0.13 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3gum h THR 109 CO -0.16 0.00 0.02 1.23 0.37 0.00 0.00 175.52 176.98 3gum h GLY 110 N -0.25 0.17 0.70 2.16 0.00 -1.75 -2.80 103.07 101.30 3gum h GLY 110 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.36 3gum h GLY 110 CO 0.04 -0.01 0.33 -2.08 0.00 0.00 0.00 176.54 174.82 3gum h VAL 111 N 0.08 0.97 0.00 4.60 2.07 -1.41 -2.42 116.25 120.13 3gum h VAL 111 Ca 0.08 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3gum h VAL 111 Cb 0.08 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3gum h VAL 111 CO -0.12 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3gum h ALA 112 N 1.32 1.00 -0.00 1.67 0.00 -0.81 -2.05 119.26 120.39 3gum h ALA 112 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3gum h ALA 112 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gum h ALA 112 CO -0.17 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.39 3gum n GLY 113 N -0.36 -1.03 2.61 0.00 0.00 -0.91 -4.29 105.19 101.21 3gum n GLY 113 Ca 0.01 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3gum n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gum n PHE 114 N -1.05 2.68 0.19 1.61 0.99 -0.77 -4.68 117.46 116.42 3gum n PHE 114 Ca 0.14 -2.79 0.17 0.00 -0.00 0.00 0.00 57.45 54.97 3gum n PHE 114 Cb 0.27 -1.81 0.81 0.00 -1.00 0.00 0.00 39.48 37.76 3gum n PHE 114 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 3gum h THR 115 N 2.92 0.49 -0.40 4.37 1.35 -1.85 -1.24 112.91 118.56 3gum h THR 115 Ca 0.59 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 66.33 3gum h THR 115 Cb 0.40 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 3gum h THR 115 CO 1.50 0.00 -0.22 -0.55 -0.25 0.00 0.00 175.52 176.00 3gum h ASN 116 N 0.00 0.88 0.24 5.36 -1.07 -1.96 -3.04 115.58 116.00 3gum h ASN 116 Ca 0.10 -0.41 -0.33 0.00 0.07 0.00 0.00 56.30 55.73 3gum h ASN 116 Cb 0.53 -0.24 0.04 0.00 -2.07 0.00 0.00 38.32 36.57 3gum h ASN 116 CO -0.00 1.10 -1.45 0.58 0.07 0.00 0.00 177.43 177.73 3gum h VAL 117 N 0.67 1.27 -0.98 6.14 2.07 -1.68 -3.29 116.25 120.45 3gum h VAL 117 Ca 0.09 -2.67 0.14 0.00 0.82 0.00 0.00 66.70 65.07 3gum h VAL 117 Cb 0.78 3.04 -0.09 0.00 -1.52 0.00 0.00 31.29 33.50 3gum h VAL 117 CO 0.06 0.81 0.60 -0.07 0.02 0.00 0.00 177.57 178.99 3gum h LEU 118 N 0.10 0.85 -0.20 2.57 3.38 -1.32 0.73 115.31 121.42 3gum h LEU 118 Ca -0.26 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.60 3gum h LEU 118 Cb 2.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.79 3gum h LEU 118 CO 0.26 0.41 -0.57 -0.09 0.09 0.00 0.00 178.44 178.54 3gum h ARG 119 N 0.89 0.74 -0.74 1.13 2.43 -1.65 -2.46 114.38 114.72 3gum h ARG 119 Ca 0.51 -0.53 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3gum h ARG 119 Cb 0.61 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 3gum h ARG 119 CO -0.31 1.15 0.36 0.52 -1.51 0.00 0.00 179.97 180.18 3gum h MET 120 N 0.46 1.07 0.23 0.20 2.86 -1.51 -1.55 114.93 116.68 3gum h MET 120 Ca -0.01 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3gum h MET 120 Cb 1.19 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.66 3gum h MET 120 CO 0.12 0.84 -0.11 -0.07 1.06 0.00 0.00 176.91 178.75 3gum h LEU 121 N 1.04 -0.27 -1.68 1.22 3.38 -0.86 0.51 115.31 118.65 3gum h LEU 121 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3gum h LEU 121 Cb 0.12 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gum h LEU 121 CO -0.03 -0.18 -0.14 -0.61 0.09 0.00 0.00 178.44 177.57 3gum h GLN 122 N -0.33 0.03 -0.07 1.13 4.15 -1.30 0.31 115.11 119.04 3gum h GLN 122 Ca -0.03 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3gum h GLN 122 Cb 0.25 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3gum h GLN 122 CO 0.05 0.17 0.00 1.04 -1.93 0.00 0.00 178.83 178.16 3gum n GLN 123 N -4.36 1.38 -2.17 1.69 6.02 -0.60 -4.92 117.38 114.42 3gum n GLN 123 Ca -0.02 -0.57 -0.10 0.00 -0.01 0.00 0.00 57.00 56.30 3gum n GLN 123 Cb 0.22 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.09 3gum n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gum n LYS 124 N -0.24 -0.82 -2.80 -1.09 5.02 0.11 -4.94 118.16 113.40 3gum n LYS 124 Ca 0.17 0.51 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 3gum n LYS 124 Cb 0.22 -4.57 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 3gum n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gum n ARG 125 N -2.00 3.81 -0.15 1.97 1.74 0.17 -4.88 116.66 117.32 3gum n ARG 125 Ca -0.12 -4.03 -0.09 0.00 -0.77 0.00 0.00 57.85 52.84 3gum n ARG 125 Cb 0.59 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.25 3gum n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3gum h TRP 126 N 6.07 0.63 -0.46 -1.55 -0.00 -1.89 -2.43 115.95 116.32 3gum h TRP 126 Ca 0.29 -0.04 0.02 0.00 -0.00 0.00 0.00 58.89 59.16 3gum h TRP 126 Cb 0.71 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.65 3gum h TRP 126 CO 1.08 0.53 0.28 -0.44 -0.00 0.00 0.00 178.44 179.88 3gum h ASP 127 N 0.56 0.45 -0.37 -3.49 5.19 -1.90 -1.19 116.42 115.68 3gum h ASP 127 Ca 0.15 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 3gum h ASP 127 Cb 0.14 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3gum h ASP 127 CO -0.02 0.32 -0.24 -0.33 -3.12 0.00 0.00 179.24 175.86 3gum h GLU 128 N 0.56 0.81 -0.13 3.56 5.08 -1.94 -1.44 114.58 121.08 3gum h GLU 128 Ca 0.18 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3gum h GLU 128 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3gum h GLU 128 CO -0.08 1.01 -0.12 0.00 -1.00 0.00 0.00 179.01 178.83 3gum h ALA 129 N 0.78 -0.02 0.11 3.43 0.00 -1.33 0.13 119.26 122.36 3gum h ALA 129 Ca 0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3gum h ALA 129 Cb 0.80 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3gum h ALA 129 CO 0.07 -0.57 -0.30 0.00 0.00 0.00 0.00 179.25 178.45 3gum h ALA 130 N 0.95 -0.50 -0.62 0.00 0.00 -1.09 0.22 119.26 118.22 3gum h ALA 130 Ca 0.09 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.07 3gum h ALA 130 Cb 0.27 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 3gum h ALA 130 CO -0.22 -0.84 0.14 0.28 0.00 0.00 0.00 179.25 178.61 3gum h VAL 131 N -0.51 0.62 -0.09 0.00 2.07 -1.10 -1.80 116.25 115.44 3gum h VAL 131 Ca 0.03 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 3gum h VAL 131 Cb 0.55 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3gum h VAL 131 CO -0.18 0.05 -0.56 0.78 0.02 0.00 0.00 177.57 177.68 3gum h ASN 132 N 0.26 0.31 0.35 0.57 -0.26 0.25 -2.91 115.58 114.16 3gum h ASN 132 Ca 0.33 -0.17 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 3gum h ASN 132 Cb 0.50 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 3gum h ASN 132 CO -0.42 0.81 -0.54 -0.07 -1.06 0.00 0.00 177.43 176.15 3gum h LEU 133 N 0.22 0.23 0.00 1.61 3.38 -0.33 -2.88 115.31 117.54 3gum h LEU 133 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gum h LEU 133 Cb 1.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3gum h LEU 133 CO 0.09 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.35 3gum n ALA 134 N -2.47 2.31 -0.02 1.53 0.00 -0.70 -2.67 120.51 118.50 3gum n ALA 134 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.40 3gum n ALA 134 Cb 0.57 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.77 3gum n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gum n LYS 135 N -0.70 0.71 -0.65 0.00 5.02 -1.09 -4.72 118.16 116.74 3gum n LYS 135 Ca 0.07 -0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 55.96 3gum n LYS 135 Cb 0.03 -1.31 0.18 0.00 -0.02 0.00 0.00 35.03 33.92 3gum n LYS 135 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gum n SER 136 N -2.04 -0.22 0.22 4.39 3.41 -1.09 -4.85 113.62 113.43 3gum n SER 136 Ca -0.06 0.31 0.05 0.00 -0.26 0.00 0.00 58.87 58.92 3gum n SER 136 Cb 0.44 -1.42 0.48 0.00 -0.26 0.00 0.00 64.21 63.46 3gum n SER 136 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gum h ARG 137 N -2.01 0.00 -0.77 4.33 2.43 -1.96 -2.89 114.38 113.51 3gum h ARG 137 Ca -0.46 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 3gum h ARG 137 Cb 1.28 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.80 3gum h ARG 137 CO 0.42 0.24 0.32 2.35 -1.51 0.00 0.00 179.97 181.79 3gum h TRP 138 N 0.00 1.15 0.10 2.20 7.01 -1.91 -2.45 115.95 122.05 3gum h TRP 138 Ca -0.00 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 60.92 3gum h TRP 138 Cb 0.45 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 3gum h TRP 138 CO 0.00 0.86 -0.05 -0.92 -2.79 0.00 0.00 178.44 175.55 3gum h TYR 139 N 1.12 -0.13 -0.37 2.65 3.20 -1.75 -2.00 116.97 119.68 3gum h TYR 139 Ca 0.26 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.24 3gum h TYR 139 Cb 0.19 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3gum h TYR 139 CO 0.02 0.38 0.30 -0.91 -1.64 0.00 0.00 178.16 176.31 3gum h ASN 140 N -0.88 0.00 0.37 -2.11 4.21 -1.58 -2.43 115.58 113.17 3gum h ASN 140 Ca -0.01 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.18 3gum h ASN 140 Cb 0.56 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.72 3gum h ASN 140 CO 0.02 0.00 -1.81 0.00 -1.29 0.00 0.00 177.43 174.36 3gum n GLN 141 N -4.20 0.67 -2.99 0.81 6.02 -0.92 -4.64 117.38 112.13 3gum n GLN 141 Ca 0.06 0.29 -0.24 0.00 -0.01 0.00 0.00 57.00 57.10 3gum n GLN 141 Cb 0.48 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 3gum n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gum n PRO 143 N -0.10 0.09 -0.08 0.00 -0.05 -0.98 -1.08 135.00 132.81 3gum n PRO 143 Ca 0.29 0.16 -0.15 0.00 -0.05 0.00 0.00 63.50 63.76 3gum n PRO 143 Cb 0.49 -1.63 -0.14 0.00 -0.05 0.00 0.00 33.50 32.17 3gum n PRO 143 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3gum n ASP 144 N -1.80 1.24 0.27 3.54 8.00 -1.26 -2.90 116.55 123.64 3gum n ASP 144 Ca 0.05 0.05 0.17 0.00 0.71 0.00 0.00 54.79 55.77 3gum n ASP 144 Cb 0.31 -0.01 0.64 0.00 -0.02 0.00 0.00 41.12 42.05 3gum n ASP 144 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3gum h ARG 145 N 0.01 0.00 0.00 -1.24 9.65 -1.79 -3.37 114.38 117.65 3gum h ARG 145 Ca -0.50 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.32 3gum h ARG 145 Cb 2.05 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.62 3gum h ARG 145 CO 0.01 0.01 -1.37 0.00 2.80 0.00 0.00 179.97 181.42 3gum n ALA 146 N -2.10 2.01 0.10 2.80 0.00 -0.24 -4.71 120.51 118.38 3gum n ALA 146 Ca 0.01 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.02 3gum n ALA 146 Cb 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 3gum n ALA 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gum h LYS 147 N 0.00 -0.23 -0.09 0.00 2.10 -1.68 -2.55 116.57 114.11 3gum h LYS 147 Ca -0.10 0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.56 3gum h LYS 147 Cb 0.93 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.31 3gum h LYS 147 CO 0.01 -0.15 0.04 0.00 -2.00 0.00 0.00 179.45 177.35 3gum h ARG 148 N -0.24 0.13 -0.35 0.07 3.08 -1.87 -1.81 114.38 113.40 3gum h ARG 148 Ca -0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3gum h ARG 148 Cb 0.22 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3gum h ARG 148 CO -0.01 0.10 -0.25 0.28 -1.07 0.00 0.00 179.97 179.01 3gum h VAL 149 N 0.13 1.29 -0.45 2.04 2.07 -1.76 -2.07 116.25 117.50 3gum h VAL 149 Ca 0.03 -1.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.07 3gum h VAL 149 Cb 0.02 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3gum h VAL 149 CO -0.00 0.46 -0.01 0.40 0.02 0.00 0.00 177.57 178.44 3gum h ILE 150 N 0.57 1.26 -0.56 4.57 1.08 -1.02 -1.83 117.51 121.57 3gum h ILE 150 Ca 0.07 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 3gum h ILE 150 Cb 0.82 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 3gum h ILE 150 CO 0.07 0.37 0.26 0.74 -0.69 0.00 0.00 178.15 178.89 3gum h THR 151 N 0.64 1.19 -0.32 -0.27 2.02 -1.35 -1.74 112.91 113.08 3gum h THR 151 Ca 0.13 -0.54 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 3gum h THR 151 Cb 0.51 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 3gum h THR 151 CO 0.03 0.22 -0.15 0.74 0.37 0.00 0.00 175.52 176.73 3gum h THR 152 N 0.79 1.29 -0.54 3.16 2.02 -0.98 -0.12 112.91 118.52 3gum h THR 152 Ca 0.19 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 3gum h THR 152 Cb 0.10 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3gum h THR 152 CO -0.02 0.41 0.28 -0.26 0.37 0.00 0.00 175.52 176.29 3gum h PHE 153 N 0.43 0.73 0.08 3.16 0.04 -1.12 0.24 116.94 120.50 3gum h PHE 153 Ca 0.07 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 3gum h PHE 153 Cb 0.68 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.59 3gum h PHE 153 CO 0.06 0.52 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.16 3gum h ARG 154 N 0.75 -0.10 0.04 1.51 2.43 -1.08 -3.39 114.38 114.54 3gum h ARG 154 Ca 0.19 0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 59.03 3gum h ARG 154 Cb 0.05 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 3gum h ARG 154 CO -0.03 0.23 -1.95 0.25 -1.51 0.00 0.00 179.97 176.96 3gum n THR 155 N -4.98 1.63 -1.71 0.20 -2.24 -0.08 -4.79 114.28 102.30 3gum n THR 155 Ca -0.08 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 60.83 3gum n THR 155 Cb 0.20 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.19 3gum n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gum n GLY 156 N 1.77 0.76 3.63 3.38 0.00 0.83 -5.03 105.19 110.53 3gum n GLY 156 Ca -0.26 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3gum n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gum s THR 157 N -2.54 2.02 -2.22 2.61 -4.23 -1.26 -4.75 115.64 105.28 3gum s THR 157 Ca 0.00 -1.97 0.19 0.00 -1.18 0.00 0.00 61.69 58.73 3gum s THR 157 Cb 0.00 -2.99 0.44 0.00 1.34 0.00 0.00 72.50 71.28 3gum s THR 157 CO 0.00 0.00 1.44 0.79 -0.54 0.00 0.00 174.62 176.31 3gum n TRP 158 N -1.00 0.44 -0.26 3.99 7.02 -1.26 -4.58 117.44 121.79 3gum n TRP 158 Ca -0.05 -0.22 0.22 0.00 -1.02 0.00 0.00 57.50 56.43 3gum n TRP 158 Cb 0.67 0.00 0.55 0.00 -2.42 0.00 0.00 31.31 30.10 3gum n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3gum h ASP 159 N 2.98 0.35 0.23 -0.99 3.32 -1.97 -0.57 116.42 119.77 3gum h ASP 159 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3gum h ASP 159 Cb 0.66 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 3gum h ASP 159 CO 0.00 0.12 -0.05 0.00 -1.72 0.00 0.00 179.24 177.58 3gum h ALA 160 N 1.60 1.29 -0.69 3.45 0.00 -1.91 -2.77 119.26 120.23 3gum h ALA 160 Ca 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3gum h ALA 160 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3gum h ALA 160 CO -0.18 0.07 0.00 0.66 0.00 0.00 0.00 179.25 179.80 3gum n TYR 161 N -3.57 0.94 1.30 0.00 4.02 -0.22 -4.97 117.16 114.65 3gum n TYR 161 Ca -0.02 -0.51 0.13 0.00 -0.01 0.00 0.00 57.90 57.49 3gum n TYR 161 Cb 0.16 -0.01 0.35 0.00 -0.02 0.00 0.00 39.34 39.82 3gum n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02