#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 -0.02 0.34 6.12 2.20 -1.26 -5.02 114.94 117.30 3gum s ASN 2 Ca 0.00 -0.94 0.07 0.00 -0.94 0.00 0.00 52.86 51.05 3gum s ASN 2 Cb 0.00 0.72 0.62 0.00 -2.00 0.00 0.00 41.25 40.59 3gum s ASN 2 CO 0.00 -1.42 1.83 -0.29 -2.94 0.00 0.00 177.10 174.28 3gum h ILE 3 N 2.00 1.22 0.10 0.54 6.09 -2.01 0.93 117.51 126.39 3gum h ILE 3 Ca -0.30 -1.01 -0.01 0.00 -1.37 0.00 0.00 64.86 62.17 3gum h ILE 3 Cb 1.24 1.28 0.00 0.00 0.47 0.00 0.00 36.82 39.81 3gum h ILE 3 CO 0.38 0.32 -0.05 -0.26 -3.07 0.00 0.00 178.15 175.46 3gum h PHE 4 N 0.31 -0.13 -0.97 2.19 0.04 -1.98 0.17 116.94 116.57 3gum h PHE 4 Ca 0.06 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.86 3gum h PHE 4 Cb 0.50 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.64 3gum h PHE 4 CO 0.01 0.37 0.64 0.93 -0.60 0.00 0.00 178.31 179.66 3gum h GLU 5 N -0.75 1.20 -0.55 1.51 5.08 -1.95 0.60 114.58 119.73 3gum h GLU 5 Ca -0.01 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3gum h GLU 5 Cb 0.56 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3gum h GLU 5 CO 0.02 0.79 0.36 1.98 -1.00 0.00 0.00 179.01 181.17 3gum h MET 6 N 1.24 0.71 -0.26 2.33 4.05 -0.74 -2.44 114.93 119.82 3gum h MET 6 Ca 0.39 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.61 3gum h MET 6 Cb -0.01 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 3gum h MET 6 CO -0.12 0.47 -0.44 -0.07 0.23 0.00 0.00 176.91 176.98 3gum h LEU 7 N 0.73 0.70 -1.50 3.39 3.38 -0.19 -2.43 115.31 119.40 3gum h LEU 7 Ca 0.20 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gum h LEU 7 Cb -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3gum h LEU 7 CO -0.05 1.04 0.35 0.03 0.09 0.00 0.00 178.44 179.90 3gum h ARG 8 N 0.52 0.66 -0.15 1.13 3.08 -0.81 0.29 114.38 119.11 3gum h ARG 8 Ca 0.03 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3gum h ARG 8 Cb 0.98 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3gum h ARG 8 CO 0.09 0.44 -0.19 0.82 -1.07 0.00 0.00 179.97 180.06 3gum h ILE 9 N 0.68 1.35 -0.09 2.04 2.04 -1.23 -0.29 117.51 122.01 3gum h ILE 9 Ca 0.20 -1.39 -0.23 0.00 1.00 0.00 0.00 64.86 64.44 3gum h ILE 9 Cb -0.03 1.91 0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3gum h ILE 9 CO -0.05 0.41 -0.87 0.44 0.00 0.00 0.00 178.15 178.09 3gum h ASP 10 N 0.02 0.85 0.61 1.72 3.32 -1.13 -3.33 116.42 118.48 3gum h ASP 10 Ca 0.02 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3gum h ASP 10 Cb 0.74 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3gum h ASP 10 CO 0.05 1.40 -1.10 -0.62 -1.72 0.00 0.00 179.24 177.24 3gum n GLU 11 N -3.88 0.44 0.00 3.56 -0.58 0.10 -4.68 120.64 115.60 3gum n GLU 11 Ca -0.08 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3gum n GLU 11 Cb 0.79 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 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 1.29 2.49 3.59 0.62 0.00 -0.12 -4.45 105.19 108.61 3gum n GLY 12 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.01 -0.06 0.99 2.96 -1.26 -4.41 118.68 115.89 3gum s LEU 13 Ca 0.00 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.36 3gum s LEU 13 Cb 0.00 2.16 -0.01 0.00 0.50 0.00 0.00 46.19 48.84 3gum s LEU 13 CO 0.00 -0.19 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.46 3gum s ARG 14 N 2.76 2.60 -0.24 1.98 1.81 -0.75 -5.01 118.95 122.09 3gum s ARG 14 Ca -0.05 -0.90 0.13 0.00 -1.72 0.00 0.00 55.73 53.19 3gum s ARG 14 Cb -0.10 -2.18 0.62 0.00 -0.45 0.00 0.00 34.95 32.83 3gum s ARG 14 CO -0.19 0.36 1.57 1.28 -0.68 0.00 0.00 175.30 177.65 3gum n LEU 15 N 3.00 4.71 -3.68 2.53 4.77 -1.26 0.34 117.00 127.40 3gum n LEU 15 Ca -0.18 -3.19 -0.15 0.00 -0.03 0.00 0.00 56.01 52.47 3gum n LEU 15 Cb 0.52 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 3gum n LEU 15 CO 0.26 0.80 0.17 -1.59 -1.33 0.00 0.00 177.39 175.70 3gum s LYS 16 N -2.94 0.74 0.24 3.23 -2.85 -1.26 -2.69 119.74 114.20 3gum s LYS 16 Ca 0.47 0.19 -0.31 0.00 -1.00 0.00 0.00 55.97 55.32 3gum s LYS 16 Cb 0.39 0.34 -0.14 0.00 -2.06 0.00 0.00 37.83 36.36 3gum s LYS 16 CO 0.09 -0.19 1.22 -0.89 0.10 0.00 0.00 175.35 175.68 3gum n ILE 17 N 1.64 1.27 -4.26 3.79 5.41 -1.03 -4.75 119.36 121.44 3gum n ILE 17 Ca -0.18 -0.32 -0.14 0.00 1.00 0.00 0.00 62.75 63.11 3gum n ILE 17 Cb 0.56 -1.15 -0.10 0.00 -0.71 0.00 0.00 39.64 38.25 3gum n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3gum s TYR 18 N -0.43 1.30 -0.15 1.39 1.13 0.26 -4.95 117.35 115.90 3gum s TYR 18 Ca 0.66 -1.11 -0.23 0.00 -1.41 0.00 0.00 57.07 54.99 3gum s TYR 18 Cb -0.73 -0.74 -0.03 0.00 -1.10 0.00 0.00 41.96 39.36 3gum s TYR 18 CO 0.54 -0.29 0.70 0.15 -2.51 0.00 0.00 175.55 174.14 3gum s LYS 19 N -3.98 4.30 0.54 -3.49 1.02 -1.26 -0.16 119.74 116.72 3gum s LYS 19 Ca 0.30 0.80 -0.09 0.00 0.02 0.00 0.00 55.97 56.99 3gum s LYS 19 Cb 0.07 -3.54 0.13 0.00 -0.52 0.00 0.00 37.83 33.97 3gum s LYS 19 CO 0.08 -0.18 0.66 -0.40 -0.92 0.00 0.00 175.35 174.58 3gum n ASP 20 N 4.75 -0.41 0.17 2.83 5.68 0.69 -4.87 116.55 125.39 3gum n ASP 20 Ca 0.00 -1.13 0.02 0.00 -0.50 0.00 0.00 54.79 53.18 3gum n ASP 20 Cb 0.50 -0.53 0.30 0.00 -1.14 0.00 0.00 41.12 40.25 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 -3.88 0.63 -0.51 0.00 1.02 -1.26 -4.85 120.64 111.79 3gum n GLU 22 Ca -0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3gum n GLU 22 Cb 0.49 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3gum n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gum n GLY 23 N 0.97 0.75 3.91 0.62 0.00 -0.01 -5.08 105.19 106.36 3gum n GLY 23 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.49 3.49 0.03 1.61 2.02 -1.26 -4.69 117.35 116.06 3gum s TYR 24 Ca 0.00 0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.80 3gum s TYR 24 Cb 0.00 -1.89 -0.06 0.00 -0.40 0.00 0.00 41.96 39.61 3gum s TYR 24 CO 0.00 0.45 1.40 0.71 -1.57 0.00 0.00 175.55 176.55 3gum s TYR 25 N -1.70 2.92 0.13 2.71 2.02 -1.21 -0.22 117.35 122.01 3gum s TYR 25 Ca 0.39 0.83 -0.03 0.00 -0.37 0.00 0.00 57.07 57.89 3gum s TYR 25 Cb -0.12 -3.67 -0.03 0.00 -0.40 0.00 0.00 41.96 37.74 3gum s TYR 25 CO 0.27 -2.47 0.11 0.99 -1.57 0.00 0.00 175.55 172.88 3gum s THR 26 N 2.11 0.10 0.28 -0.71 2.01 0.78 -0.78 115.64 119.43 3gum s THR 26 Ca 0.64 -1.78 -0.20 0.00 0.31 0.00 0.00 61.69 60.66 3gum s THR 26 Cb -0.33 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.25 3gum s THR 26 CO 0.28 -0.45 0.79 -0.51 -0.69 0.00 0.00 174.62 174.04 3gum s ILE 27 N -4.02 0.00 0.00 1.82 2.07 -0.46 -0.57 121.20 120.04 3gum s ILE 27 Ca 0.22 -0.93 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 3gum s ILE 27 Cb 0.06 -2.26 0.00 0.00 0.13 0.00 0.00 42.46 40.39 3gum s ILE 27 CO 0.01 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 3gum n GLY 28 N -0.49 3.47 3.17 1.50 0.00 0.15 -0.83 105.19 112.15 3gum n GLY 28 Ca -0.05 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 4.70 -1.45 -0.61 1.01 -1.26 -1.81 121.20 121.78 3gum s ILE 29 Ca 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 60.65 57.09 3gum s ILE 29 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3gum s ILE 29 CO 0.00 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 174.47 3gum n GLY 30 N 2.67 -0.07 3.56 6.18 0.00 -1.25 -4.87 105.19 111.41 3gum n GLY 30 Ca 0.20 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.80 2.84 -0.12 1.61 5.04 -0.01 -4.92 115.29 116.93 3gum s HIS 31 Ca 0.00 0.33 -0.30 0.00 -1.54 0.00 0.00 55.06 53.55 3gum s HIS 31 Cb 0.00 -4.11 -0.02 0.00 0.04 0.00 0.00 32.58 28.49 3gum s HIS 31 CO 0.00 -1.23 1.19 -1.17 -2.34 0.00 0.00 174.74 171.19 3gum s LEU 32 N 4.01 4.22 -0.14 8.88 2.96 -1.26 -1.35 118.68 136.00 3gum s LEU 32 Ca 0.37 1.70 -0.21 0.00 -0.22 0.00 0.00 54.13 55.78 3gum s LEU 32 Cb -0.10 -3.55 -0.25 0.00 0.50 0.00 0.00 46.19 42.79 3gum s LEU 32 CO 0.25 -0.65 0.52 -0.07 -1.32 0.00 0.00 176.35 175.08 3gum h LEU 33 N 8.90 0.18 -7.00 -0.68 3.38 -1.31 -3.49 115.31 115.29 3gum h LEU 33 Ca -0.29 -0.79 0.09 0.00 0.09 0.00 0.00 57.88 56.97 3gum h LEU 33 Cb 1.13 -0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 3gum h LEU 33 CO 0.92 1.43 0.50 0.28 0.09 0.00 0.00 178.44 181.66 3gum s THR 34 N -2.38 0.00 -1.80 0.22 -1.32 -1.22 -4.90 115.64 104.24 3gum s THR 34 Ca -0.22 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.51 3gum s THR 34 Cb 0.03 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.17 3gum s THR 34 CO 0.70 0.00 1.39 0.29 -2.21 0.00 0.00 174.62 174.78 3gum n LYS 35 N 0.27 0.90 -1.62 7.08 5.02 -1.26 -3.31 118.16 125.24 3gum n LYS 35 Ca -0.10 -0.62 -0.41 0.00 -2.02 0.00 0.00 58.31 55.15 3gum n LYS 35 Cb 0.60 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 3gum n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3gum n SER 36 N -0.50 1.40 0.00 4.39 2.88 -1.26 -4.91 113.62 115.61 3gum n SER 36 Ca 0.11 1.03 0.14 0.00 -1.33 0.00 0.00 58.87 58.82 3gum n SER 36 Cb 0.39 -1.37 0.77 0.00 -0.75 0.00 0.00 64.21 63.24 3gum n SER 36 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3gum n PRO 37 N 0.07 0.64 -3.34 -1.46 -0.04 -1.26 -4.73 135.00 124.88 3gum n PRO 37 Ca 0.09 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 3gum n PRO 37 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.28 6.22 0.39 3.54 3.68 -1.26 -4.96 116.67 121.98 3gum s ASP 38 Ca 0.34 -0.31 0.06 0.00 2.13 0.00 0.00 52.55 54.77 3gum s ASP 38 Cb 0.19 -2.22 0.79 0.00 -1.45 0.00 0.00 42.92 40.22 3gum s ASP 38 CO 0.37 -0.44 2.02 0.25 0.13 0.00 0.00 175.17 177.50 3gum h LEU 39 N 8.92 0.57 -0.96 -1.34 5.85 -1.99 -2.48 115.31 123.89 3gum h LEU 39 Ca -0.28 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.34 3gum h LEU 39 Cb 1.13 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3gum h LEU 39 CO 0.74 0.40 -0.23 0.78 -0.34 0.00 0.00 178.44 179.80 3gum h ASN 40 N 0.67 0.50 -0.37 1.25 2.35 -1.98 0.61 115.58 118.60 3gum h ASN 40 Ca 0.22 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3gum h ASN 40 Cb 0.04 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3gum h ASN 40 CO -0.05 0.72 0.01 0.00 -1.65 0.00 0.00 177.43 176.46 3gum h ALA 41 N 1.32 0.50 -0.00 -0.83 0.00 -1.88 -1.74 119.26 116.62 3gum h ALA 41 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gum h ALA 41 Cb 0.64 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gum h ALA 41 CO 0.05 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3gum h ALA 42 N 0.88 1.93 -0.20 0.00 0.00 -1.07 -2.58 119.26 118.22 3gum h ALA 42 Ca 0.11 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3gum h ALA 42 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3gum h ALA 42 CO 0.02 -0.01 -0.23 0.87 0.00 0.00 0.00 179.25 179.90 3gum h LYS 43 N 0.00 0.50 0.37 0.00 1.57 -0.58 -2.88 116.57 115.55 3gum h LYS 43 Ca 0.00 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 3gum h LYS 43 Cb 0.01 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3gum h LYS 43 CO -0.00 0.87 -0.30 0.66 -0.57 0.00 0.00 179.45 180.10 3gum h SER 44 N 0.17 -0.80 -0.97 0.86 4.64 -0.96 -2.63 113.55 113.86 3gum h SER 44 Ca 0.03 0.06 0.28 0.00 -0.47 0.00 0.00 61.79 61.69 3gum h SER 44 Cb 0.79 0.26 -0.18 0.00 -0.31 0.00 0.00 62.40 62.97 3gum h SER 44 CO 0.06 -0.45 0.11 -0.33 -0.87 0.00 0.00 176.83 175.35 3gum h GLU 45 N -0.68 0.03 0.01 4.77 4.39 -1.57 0.84 114.58 122.38 3gum h GLU 45 Ca -0.03 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3gum h GLU 45 Cb 0.59 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3gum h GLU 45 CO -0.02 0.02 -0.00 1.25 -1.16 0.00 0.00 179.01 179.10 3gum h LEU 46 N 0.03 -0.01 -0.68 1.33 5.85 -1.25 0.12 115.31 120.70 3gum h LEU 46 Ca 0.62 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 59.17 3gum h LEU 46 Cb 1.32 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 3gum h LEU 46 CO -0.86 0.17 0.44 0.44 -0.34 0.00 0.00 178.44 178.29 3gum h ASP 47 N -0.20 0.74 -0.61 1.25 5.19 -1.05 -0.69 116.42 121.07 3gum h ASP 47 Ca -0.00 -0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3gum h ASP 47 Cb 0.19 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 3gum h ASP 47 CO 0.00 0.53 0.40 0.50 -3.12 0.00 0.00 179.24 177.55 3gum h LYS 48 N 0.88 0.73 0.03 3.56 3.64 -0.76 0.19 116.57 124.83 3gum h LYS 48 Ca 0.26 -0.04 -0.21 0.00 -1.27 0.00 0.00 60.65 59.38 3gum h LYS 48 Cb -0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3gum h LYS 48 CO -0.08 0.48 -0.96 0.00 -2.27 0.00 0.00 179.45 176.62 3gum h ALA 49 N 1.64 0.41 0.06 5.00 0.00 0.47 -3.36 119.26 123.48 3gum h ALA 49 Ca 0.24 -0.78 -0.36 0.00 0.00 0.00 0.00 54.91 54.01 3gum h ALA 49 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3gum h ALA 49 CO -0.06 0.97 -2.11 -0.89 0.00 0.00 0.00 179.25 177.16 3gum n ILE 50 N -3.60 1.63 -0.40 0.00 2.08 -0.38 -5.00 119.36 113.69 3gum n ILE 50 Ca -0.04 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.58 3gum n ILE 50 Cb 0.87 -1.37 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 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 1.95 0.98 3.65 7.39 0.00 0.63 -5.10 105.19 114.69 3gum n GLY 51 Ca -0.33 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.98 1.54 -0.59 1.61 1.70 -1.17 -5.06 118.95 116.01 3gum s ARG 52 Ca 0.00 -0.82 -0.28 0.00 -0.47 0.00 0.00 55.73 54.16 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 -0.69 1.20 -0.80 -1.08 0.00 0.00 175.30 173.93 3gum s ASN 53 N -2.86 6.42 0.04 -2.89 0.01 -1.26 -4.32 114.94 110.08 3gum s ASN 53 Ca 0.08 0.06 -0.17 0.00 -0.71 0.00 0.00 52.86 52.12 3gum s ASN 53 Cb -0.03 -2.55 -0.23 0.00 0.41 0.00 0.00 41.25 38.84 3gum s ASN 53 CO -0.01 -1.51 1.15 0.00 -1.51 0.00 0.00 177.10 175.22 3gum h ASN 55 N 0.17 0.29 0.00 0.00 4.21 -2.00 -3.29 115.58 114.96 3gum h ASN 55 Ca -0.10 -0.37 0.00 0.00 1.21 0.00 0.00 56.30 57.03 3gum h ASN 55 Cb 1.52 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 3gum h ASN 55 CO 0.17 1.31 -0.12 0.61 -1.29 0.00 0.00 177.43 178.10 3gum n GLY 56 N 1.57 2.08 3.11 2.83 0.00 -1.26 -4.78 105.19 108.74 3gum n GLY 56 Ca -0.12 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.26 1.43 0.40 1.61 1.01 -1.24 -2.47 120.40 119.88 3gum s VAL 57 Ca 0.11 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3gum s VAL 57 Cb 0.10 -1.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 3gum s VAL 57 CO 0.01 0.42 0.02 0.27 0.00 0.00 0.00 175.10 175.81 3gum s ILE 58 N 0.32 2.12 0.65 2.22 -4.36 -1.10 -4.71 121.20 116.34 3gum s ILE 58 Ca -0.10 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.30 3gum s ILE 58 Cb -0.14 -2.93 0.08 0.00 1.25 0.00 0.00 42.46 40.72 3gum s ILE 58 CO 0.04 -0.05 0.90 0.42 0.24 0.00 0.00 174.94 176.50 3gum s THR 59 N -2.67 2.36 0.07 8.37 -4.23 -1.26 -4.84 115.64 113.43 3gum s THR 59 Ca 0.35 -0.61 -0.22 0.00 -1.18 0.00 0.00 61.69 60.03 3gum s THR 59 Cb 0.07 -2.74 -0.13 0.00 1.34 0.00 0.00 72.50 71.04 3gum s THR 59 CO 0.18 0.00 1.58 0.50 -0.54 0.00 0.00 174.62 176.34 3gum h LYS 60 N -0.28 0.16 -0.91 3.99 3.64 -2.00 -1.67 116.57 119.49 3gum h LYS 60 Ca -0.39 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3gum h LYS 60 Cb 1.28 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 3gum h LYS 60 CO 0.46 0.30 0.60 -0.44 -2.27 0.00 0.00 179.45 178.10 3gum h ASP 61 N -0.02 1.01 0.25 4.20 5.19 -1.98 -0.21 116.42 124.85 3gum h ASP 61 Ca 0.03 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.26 3gum h ASP 61 Cb 0.21 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 3gum h ASP 61 CO -0.00 0.71 -0.66 -0.33 -3.12 0.00 0.00 179.24 175.84 3gum h GLU 62 N 1.18 0.38 -0.62 3.56 5.08 -1.95 -1.68 114.58 120.52 3gum h GLU 62 Ca 0.35 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3gum h GLU 62 Cb -0.04 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3gum h GLU 62 CO -0.10 0.90 0.17 0.00 -1.00 0.00 0.00 179.01 178.99 3gum h ALA 63 N 1.02 1.14 0.00 3.43 0.00 -0.65 -1.56 119.26 122.64 3gum h ALA 63 Ca -0.02 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3gum h ALA 63 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3gum h ALA 63 CO 0.11 0.59 -0.32 0.93 0.00 0.00 0.00 179.25 180.56 3gum h GLU 64 N 0.91 0.00 0.09 0.00 4.39 -0.84 -0.94 114.58 118.19 3gum h GLU 64 Ca 0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3gum h GLU 64 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3gum h GLU 64 CO -0.00 0.32 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.90 3gum h LYS 65 N 0.00 -0.11 -0.77 2.33 3.64 -0.96 -1.93 116.57 118.76 3gum h LYS 65 Ca -0.00 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 3gum h LYS 65 Cb 1.05 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.81 3gum h LYS 65 CO 0.04 0.40 0.35 -0.07 -2.27 0.00 0.00 179.45 177.89 3gum h LEU 66 N -0.72 0.38 -0.29 5.20 3.38 -1.28 -1.77 115.31 120.21 3gum h LEU 66 Ca -0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gum h LEU 66 Cb 0.56 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3gum h LEU 66 CO 0.02 0.16 0.17 0.15 0.09 0.00 0.00 178.44 179.04 3gum h PHE 67 N 0.52 0.38 -0.73 1.13 3.57 -1.16 -0.14 116.94 120.52 3gum h PHE 67 Ca 0.41 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 3gum h PHE 67 Cb 0.58 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3gum h PHE 67 CO -0.13 0.29 0.36 -0.97 -2.23 0.00 0.00 178.31 175.63 3gum h ASN 68 N 0.37 0.95 -0.56 0.41 -1.24 -0.80 -0.14 115.58 114.56 3gum h ASN 68 Ca 0.10 -0.13 -0.04 0.00 0.71 0.00 0.00 56.30 56.95 3gum h ASN 68 Cb 0.02 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.80 3gum h ASN 68 CO -0.02 0.81 0.20 1.56 -1.29 0.00 0.00 177.43 178.69 3gum h GLN 69 N 1.02 0.85 -0.32 6.67 4.20 -1.06 -2.70 115.11 123.78 3gum h GLN 69 Ca 0.25 -0.17 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 3gum h GLN 69 Cb 0.10 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3gum h GLN 69 CO -0.03 0.75 -0.48 -0.44 -0.67 0.00 0.00 178.83 177.96 3gum h ASP 70 N 0.78 0.98 -0.11 1.46 3.32 -0.75 0.12 116.42 122.21 3gum h ASP 70 Ca 0.18 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.76 3gum h ASP 70 Cb 0.23 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3gum h ASP 70 CO -0.01 1.30 -0.15 0.58 -1.72 0.00 0.00 179.24 179.24 3gum h VAL 71 N 0.69 0.61 -0.08 -1.35 2.07 -1.07 -0.81 116.25 116.31 3gum h VAL 71 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 3gum h VAL 71 Cb 1.09 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3gum h VAL 71 CO 0.11 0.00 -0.29 -0.78 0.02 0.00 0.00 177.57 176.63 3gum h ASP 72 N -0.19 -0.88 -0.79 0.57 1.82 -1.39 -0.64 116.42 114.92 3gum h ASP 72 Ca 0.09 0.13 0.06 0.00 -0.39 0.00 0.00 57.03 56.92 3gum h ASP 72 Cb 0.31 0.37 -0.05 0.00 0.68 0.00 0.00 39.33 40.64 3gum h ASP 72 CO -0.22 -0.34 0.51 0.00 -1.61 0.00 0.00 179.24 177.58 3gum h ALA 73 N 0.45 1.64 -0.42 -0.78 0.00 -0.70 -0.03 119.26 119.41 3gum h ALA 73 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gum h ALA 73 Cb 0.51 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gum h ALA 73 CO -0.30 0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.38 3gum h ALA 74 N 1.57 0.55 -0.25 0.00 0.00 -0.15 0.15 119.26 121.13 3gum h ALA 74 Ca 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3gum h ALA 74 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gum h ALA 74 CO -0.12 0.13 0.07 0.28 0.00 0.00 0.00 179.25 179.61 3gum h VAL 75 N 0.54 1.20 -0.85 0.00 2.07 -0.45 -2.07 116.25 116.70 3gum h VAL 75 Ca 0.14 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3gum h VAL 75 Cb 0.14 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3gum h VAL 75 CO -0.02 0.21 0.44 0.03 0.02 0.00 0.00 177.57 178.25 3gum h ARG 76 N 0.24 1.20 -0.89 1.57 3.08 -0.99 -1.89 114.38 116.71 3gum h ARG 76 Ca 0.08 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.00 3gum h ARG 76 Cb 0.25 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 3gum h ARG 76 CO -0.00 0.90 0.58 0.78 -1.07 0.00 0.00 179.97 181.16 3gum h GLY 77 N 1.20 1.26 0.73 0.04 0.00 -0.52 -1.85 103.07 103.93 3gum h GLY 77 Ca 0.30 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 3gum h GLY 77 CO -0.04 0.39 -0.03 -2.22 0.00 0.00 0.00 176.54 174.64 3gum h ILE 78 N 1.13 1.30 0.00 2.60 2.04 -0.93 -2.73 117.51 120.91 3gum h ILE 78 Ca 0.35 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3gum h ILE 78 Cb -0.01 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3gum h ILE 78 CO -0.10 0.28 -0.10 -0.07 0.00 0.00 0.00 178.15 178.16 3gum h LEU 79 N -0.10 0.00 0.00 1.44 3.38 -1.12 -2.74 115.31 116.18 3gum h LEU 79 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gum h LEU 79 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gum h LEU 79 CO 0.01 0.10 -1.23 0.54 0.09 0.00 0.00 178.44 177.95 3gum n ARG 80 N -3.35 0.62 -2.78 1.13 1.74 -0.72 -4.83 116.66 108.47 3gum n ARG 80 Ca -0.01 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 3gum n ARG 80 Cb 0.30 -1.76 -0.03 0.00 -1.02 0.00 0.00 32.46 29.94 3gum n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gum s ASN 81 N -5.19 7.01 0.49 0.55 3.84 -1.03 -4.96 114.94 115.64 3gum s ASN 81 Ca -0.02 1.25 0.27 0.00 0.21 0.00 0.00 52.86 54.57 3gum s ASN 81 Cb 0.10 -2.49 1.22 0.00 -0.55 0.00 0.00 41.25 39.53 3gum s ASN 81 CO 0.82 -0.53 1.96 0.00 -2.79 0.00 0.00 177.10 176.55 3gum h ALA 82 N 7.44 1.13 0.16 1.71 0.00 -1.88 -0.10 119.26 127.71 3gum h ALA 82 Ca -0.24 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 3gum h ALA 82 Cb 1.10 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.88 3gum h ALA 82 CO 0.90 0.20 -1.30 0.87 0.00 0.00 0.00 179.25 179.92 3gum h LYS 83 N 0.00 0.37 0.17 0.00 1.57 -1.92 -3.39 116.57 113.37 3gum h LYS 83 Ca -0.00 -0.61 -0.33 0.00 -1.87 0.00 0.00 60.65 57.84 3gum h LYS 83 Cb 0.54 0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.08 3gum h LYS 83 CO 0.02 1.29 -1.58 -0.07 -0.57 0.00 0.00 179.45 178.54 3gum h LEU 84 N 0.11 0.58 0.31 2.94 3.38 -1.74 -3.39 115.31 117.50 3gum h LEU 84 Ca -0.17 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.04 3gum h LEU 84 Cb 2.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 3gum h LEU 84 CO 0.22 1.62 -0.22 0.50 0.09 0.00 0.00 178.44 180.66 3gum h LYS 85 N 0.10 -0.50 0.00 1.13 3.64 -0.95 0.52 116.57 120.51 3gum h LYS 85 Ca -0.27 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3gum h LYS 85 Cb 2.08 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 34.01 3gum h LYS 85 CO 0.20 -0.33 -0.02 -1.00 -2.27 0.00 0.00 179.45 176.02 3gum h PRO 86 N -0.52 0.00 0.12 1.90 0.13 -1.78 -0.44 132.00 131.40 3gum h PRO 86 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3gum h PRO 86 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3gum h PRO 86 CO 0.01 0.02 -0.06 0.28 -0.23 0.00 0.00 178.00 178.02 3gum h VAL 87 N 0.00 0.96 -0.92 1.56 2.07 -1.65 -2.97 116.25 115.30 3gum h VAL 87 Ca -0.00 -1.26 0.18 0.00 0.82 0.00 0.00 66.70 66.44 3gum h VAL 87 Cb 0.04 1.64 -0.17 0.00 -1.52 0.00 0.00 31.29 31.28 3gum h VAL 87 CO 0.00 0.26 -0.23 0.22 0.02 0.00 0.00 177.57 177.84 3gum h TYR 88 N -0.85 -0.49 0.00 1.57 3.20 -0.60 -2.09 116.97 117.70 3gum h TYR 88 Ca -0.02 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3gum h TYR 88 Cb 0.55 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3gum h TYR 88 CO 0.10 -0.40 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.59 3gum h ASP 89 N -0.00 0.00 1.49 -2.11 3.32 -1.06 -2.42 116.42 115.63 3gum h ASP 89 Ca 0.44 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.39 3gum h ASP 89 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3gum h ASP 89 CO -0.95 0.20 -0.52 0.77 -1.72 0.00 0.00 179.24 177.02 3gum h SER 90 N 0.00 0.00 -4.07 6.45 4.64 -1.22 -3.47 113.55 115.89 3gum h SER 90 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3gum h SER 90 Cb 0.59 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.76 3gum h SER 90 CO 0.03 0.44 0.46 -0.76 -0.87 0.00 0.00 176.83 176.13 3gum s LEU 91 N -6.36 3.80 0.92 5.97 1.43 -0.91 -5.05 118.68 118.48 3gum s LEU 91 Ca 0.04 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.30 3gum s LEU 91 Cb 0.07 -4.48 0.14 0.00 0.03 0.00 0.00 46.19 41.95 3gum s LEU 91 CO 0.74 -1.24 1.10 1.51 0.23 0.00 0.00 176.35 178.69 3gum s ASP 92 N -1.59 3.35 0.18 2.29 -4.77 -1.26 -4.77 116.67 110.11 3gum s ASP 92 Ca 0.71 1.22 -0.18 0.00 -3.30 0.00 0.00 52.55 51.01 3gum s ASP 92 Cb -0.27 -1.88 0.14 0.00 -1.09 0.00 0.00 42.92 39.82 3gum s ASP 92 CO 0.31 -2.68 1.63 0.00 0.70 0.00 0.00 175.17 175.13 3gum h ALA 93 N -1.58 0.17 -0.28 2.11 0.00 -1.96 -0.62 119.26 117.10 3gum h ALA 93 Ca -0.51 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 3gum h ALA 93 Cb 1.31 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3gum h ALA 93 CO 0.58 -0.54 -0.49 0.28 0.00 0.00 0.00 179.25 179.09 3gum h VAL 94 N -0.09 1.29 0.00 0.00 2.07 -1.94 -2.79 116.25 114.79 3gum h VAL 94 Ca 0.23 -1.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.00 3gum h VAL 94 Cb 0.45 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3gum h VAL 94 CO -0.55 0.54 -0.37 0.03 0.02 0.00 0.00 177.57 177.25 3gum h ARG 95 N 0.58 0.00 -1.95 1.57 3.08 -1.74 -2.42 114.38 113.49 3gum h ARG 95 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gum h ARG 95 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3gum h ARG 95 CO 0.11 0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.92 3gum n ARG 96 N -3.99 0.00 0.00 0.04 1.74 -0.28 -1.17 116.66 113.00 3gum n ARG 96 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3gum n ARG 96 Cb 0.41 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 1.03 0.00 -0.19 7.54 0.00 -0.91 -1.30 120.51 126.68 3gum n ALA 98 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3gum n ALA 98 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.76 -0.53 0.00 0.00 -1.44 -1.81 119.26 116.24 3gum h ALA 99 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3gum h ALA 99 Cb 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3gum h ALA 99 CO 0.00 0.62 -0.06 0.82 0.00 0.00 0.00 179.25 180.63 3gum h ILE 100 N 0.90 1.27 -0.08 0.00 2.04 -1.47 -2.56 117.51 117.61 3gum h ILE 100 Ca 0.15 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 3gum h ILE 100 Cb 0.60 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3gum h ILE 100 CO 0.04 0.42 0.05 -1.13 0.00 0.00 0.00 178.15 177.52 3gum h ASN 101 N 0.84 0.10 -0.71 1.72 -0.73 -1.80 -0.39 115.58 114.61 3gum h ASN 101 Ca 0.14 -0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.26 3gum h ASN 101 Cb 0.60 -0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.14 3gum h ASN 101 CO 0.04 0.13 0.47 -0.08 -0.37 0.00 0.00 177.43 177.62 3gum h GLU 102 N 0.06 0.94 -0.41 6.67 4.81 -1.26 -0.77 114.58 124.62 3gum h GLU 102 Ca 0.03 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3gum h GLU 102 Cb 0.05 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 3gum h GLU 102 CO -0.00 0.62 -0.03 0.28 -0.73 0.00 0.00 179.01 179.15 3gum h VAL 103 N 0.97 1.23 -0.44 0.32 2.07 -1.28 0.14 116.25 119.25 3gum h VAL 103 Ca 0.26 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3gum h VAL 103 Cb -0.11 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3gum h VAL 103 CO -0.06 0.33 0.11 0.15 0.02 0.00 0.00 177.57 178.12 3gum h PHE 104 N 0.63 0.75 0.12 1.57 3.04 -0.22 0.21 116.94 123.03 3gum h PHE 104 Ca 0.12 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3gum h PHE 104 Cb 0.43 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.73 3gum h PHE 104 CO 0.02 0.69 -0.06 1.96 -2.02 0.00 0.00 178.31 178.91 3gum h GLN 105 N 0.59 -0.15 0.00 1.11 4.20 -0.89 -3.39 115.11 116.57 3gum h GLN 105 Ca 0.14 0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.70 3gum h GLN 105 Cb 0.32 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3gum h GLN 105 CO 0.00 0.32 -1.34 0.52 -0.67 0.00 0.00 178.83 177.67 3gum h MET 106 N -0.77 0.00 0.00 1.46 2.86 -0.79 -3.51 114.93 114.18 3gum h MET 106 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3gum h MET 106 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3gum h MET 106 CO 0.03 0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.69 3gum n GLY 107 N 1.37 -1.37 0.22 8.32 0.00 0.72 -4.46 105.19 109.99 3gum n GLY 107 Ca -0.08 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 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 1.25 0.40 1.61 2.07 -1.93 -3.17 116.25 116.47 3gum h VAL 108 Ca 0.00 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3gum h VAL 108 Cb 0.00 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3gum h VAL 108 CO 0.00 0.31 -0.40 0.74 0.02 0.00 0.00 177.57 178.24 3gum h THR 109 N 0.54 0.19 -0.02 2.57 2.02 -1.97 0.18 112.91 116.44 3gum h THR 109 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 3gum h THR 109 Cb 0.39 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3gum h THR 109 CO 0.01 0.00 -0.17 1.23 0.37 0.00 0.00 175.52 176.96 3gum h GLY 110 N -0.81 -0.21 0.11 2.16 0.00 -1.78 -2.41 103.07 100.12 3gum h GLY 110 Ca -0.03 0.21 0.13 0.00 0.00 0.00 0.00 47.33 47.63 3gum h GLY 110 CO -0.07 -0.16 0.17 -2.08 0.00 0.00 0.00 176.54 174.40 3gum h VAL 111 N -0.27 0.61 0.00 4.60 2.07 -1.49 -1.69 116.25 120.08 3gum h VAL 111 Ca 0.06 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3gum h VAL 111 Cb 0.35 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3gum h VAL 111 CO -0.18 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.47 3gum n ALA 112 N -2.61 1.31 1.39 1.67 0.00 0.04 -1.81 120.51 120.50 3gum n ALA 112 Ca 0.11 0.15 0.14 0.00 0.00 0.00 0.00 53.44 53.84 3gum n ALA 112 Cb 0.37 -1.34 0.51 0.00 0.00 0.00 0.00 19.45 18.99 3gum n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gum n GLY 113 N -0.75 -0.59 2.43 0.00 0.00 -0.63 -4.28 105.19 101.38 3gum n GLY 113 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.57 2.44 -0.34 1.61 0.99 -0.75 -4.70 117.46 116.14 3gum n PHE 114 Ca 0.15 -2.80 0.21 0.00 -0.00 0.00 0.00 57.45 55.01 3gum n PHE 114 Cb 0.32 -1.95 0.46 0.00 -1.00 0.00 0.00 39.48 37.31 3gum n PHE 114 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3gum h THR 115 N 2.63 0.51 0.01 4.37 2.02 -1.84 0.13 112.91 120.73 3gum h THR 115 Ca 0.71 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.74 3gum h THR 115 Cb 0.35 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3gum h THR 115 CO 1.48 0.08 -0.01 -0.55 0.37 0.00 0.00 175.52 176.90 3gum h ASN 116 N 0.46 -0.02 -0.82 4.18 -0.00 -1.96 -2.65 115.58 114.78 3gum h ASN 116 Ca 0.63 0.00 0.12 0.00 -0.00 0.00 0.00 56.30 57.05 3gum h ASN 116 Cb 1.43 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.70 3gum h ASN 116 CO -0.38 -0.01 0.53 0.58 -0.00 0.00 0.00 177.43 178.15 3gum h VAL 117 N -0.02 0.89 -0.85 6.14 2.07 -1.83 -2.09 116.25 120.56 3gum h VAL 117 Ca -0.00 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3gum h VAL 117 Cb 0.01 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 3gum h VAL 117 CO 0.00 0.12 0.56 -0.07 0.02 0.00 0.00 177.57 178.21 3gum h LEU 118 N 0.67 0.96 -0.14 2.57 3.38 -0.71 0.02 115.31 122.07 3gum h LEU 118 Ca 0.39 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 3gum h LEU 118 Cb 0.59 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gum h LEU 118 CO -0.16 0.69 -0.03 -0.09 0.09 0.00 0.00 178.44 178.94 3gum h ARG 119 N 1.14 0.26 -0.61 1.13 2.43 -1.01 -2.46 114.38 115.26 3gum h ARG 119 Ca 0.32 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.50 3gum h ARG 119 Cb -0.11 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.34 3gum h ARG 119 CO -0.08 0.55 0.14 0.52 -1.51 0.00 0.00 179.97 179.59 3gum h MET 120 N -0.04 0.27 -0.13 0.20 2.86 -1.24 -0.54 114.93 116.31 3gum h MET 120 Ca 0.04 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3gum h MET 120 Cb 0.45 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3gum h MET 120 CO 0.01 0.18 0.07 -0.07 1.06 0.00 0.00 176.91 178.16 3gum h LEU 121 N 0.28 0.17 -1.27 1.22 3.38 -0.98 0.54 115.31 118.64 3gum h LEU 121 Ca 0.32 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3gum h LEU 121 Cb 0.47 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3gum h LEU 121 CO -0.39 0.23 -0.12 -0.61 0.09 0.00 0.00 178.44 177.63 3gum h GLN 122 N 0.10 0.35 -0.01 1.13 4.15 -0.87 0.42 115.11 120.38 3gum h GLN 122 Ca 0.04 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3gum h GLN 122 Cb 0.10 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.75 3gum h GLN 122 CO -0.01 0.48 0.00 1.04 -1.93 0.00 0.00 178.83 178.41 3gum n GLN 123 N -4.25 1.10 -2.39 1.69 6.02 -0.28 -4.91 117.38 114.36 3gum n GLN 123 Ca -0.00 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 56.73 3gum n GLN 123 Cb 0.29 -1.43 0.01 0.00 1.02 0.00 0.00 30.24 30.13 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 -0.75 -1.55 -2.89 -1.09 5.02 0.15 -4.95 118.16 112.11 3gum n LYS 124 Ca 0.20 0.47 -0.44 0.00 -2.02 0.00 0.00 58.31 56.52 3gum n LYS 124 Cb 0.13 -4.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.69 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 -2.15 3.76 -0.14 1.97 1.74 0.18 -4.89 116.66 117.13 3gum n ARG 125 Ca -0.09 -4.08 -0.10 0.00 -0.77 0.00 0.00 57.85 52.82 3gum n ARG 125 Cb 0.58 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.24 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 6.22 0.70 -0.33 -1.55 -0.00 -1.89 -2.19 115.95 116.91 3gum h TRP 126 Ca 0.28 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 59.09 3gum h TRP 126 Cb 0.74 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 3gum h TRP 126 CO 1.04 0.67 0.21 -0.44 -0.00 0.00 0.00 178.44 179.93 3gum h ASP 127 N 0.53 0.36 -0.49 -3.49 5.19 -1.90 -1.09 116.42 115.53 3gum h ASP 127 Ca 0.13 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.44 3gum h ASP 127 Cb 0.33 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 3gum h ASP 127 CO 0.00 0.26 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.99 3gum h GLU 128 N 0.44 0.91 0.15 3.56 5.08 -1.94 -1.32 114.58 121.46 3gum h GLU 128 Ca 0.13 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3gum h GLU 128 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3gum h GLU 128 CO -0.04 0.97 -0.14 0.00 -1.00 0.00 0.00 179.01 178.81 3gum h ALA 129 N 0.91 -0.28 -0.41 3.43 0.00 -1.31 -0.12 119.26 121.47 3gum h ALA 129 Ca 0.13 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3gum h ALA 129 Cb 0.60 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.50 3gum h ALA 129 CO 0.04 -0.68 -0.26 0.00 0.00 0.00 0.00 179.25 178.35 3gum h ALA 130 N 0.52 -0.02 -0.57 0.00 0.00 -1.13 0.21 119.26 118.28 3gum h ALA 130 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3gum h ALA 130 Cb 0.29 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3gum h ALA 130 CO -0.03 -0.63 0.29 0.28 0.00 0.00 0.00 179.25 179.15 3gum h VAL 131 N -0.18 0.94 -0.00 0.00 2.07 -1.03 -1.97 116.25 116.08 3gum h VAL 131 Ca 0.19 -0.19 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 3gum h VAL 131 Cb 0.49 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3gum h VAL 131 CO -0.52 0.10 -0.75 0.78 0.02 0.00 0.00 177.57 177.20 3gum h ASN 132 N 0.54 0.02 0.05 0.57 -0.26 -0.19 -3.00 115.58 113.32 3gum h ASN 132 Ca 0.26 -0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.84 3gum h ASN 132 Cb 0.18 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 3gum h ASN 132 CO -0.18 0.76 -0.46 -0.07 -1.06 0.00 0.00 177.43 176.42 3gum h LEU 133 N 0.01 0.53 0.00 1.61 3.38 -0.45 -2.90 115.31 117.49 3gum h LEU 133 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gum h LEU 133 Cb 1.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3gum h LEU 133 CO 0.10 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.54 3gum n ALA 134 N -2.50 2.11 -0.02 1.53 0.00 -0.75 -2.39 120.51 118.49 3gum n ALA 134 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.41 3gum n ALA 134 Cb 0.54 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.68 0.78 -0.90 0.00 5.02 -1.10 -4.73 118.16 116.55 3gum n LYS 135 Ca 0.05 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 3gum n LYS 135 Cb 0.02 -1.29 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.61 -0.07 4.39 3.41 -1.01 -4.86 113.62 114.06 3gum n SER 136 Ca -0.06 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3gum n SER 136 Cb 0.45 -1.48 0.42 0.00 -0.26 0.00 0.00 64.21 63.33 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 -1.37 0.57 -0.79 4.33 2.43 -1.96 -2.75 114.38 114.84 3gum h ARG 137 Ca -0.45 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.76 3gum h ARG 137 Cb 1.29 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 3gum h ARG 137 CO 0.43 0.38 0.47 2.35 -1.51 0.00 0.00 179.97 182.09 3gum h TRP 138 N 0.59 0.87 0.02 2.20 7.01 -1.92 -2.11 115.95 122.61 3gum h TRP 138 Ca 0.23 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 3gum h TRP 138 Cb 0.16 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 3gum h TRP 138 CO -0.00 0.42 -0.01 -0.92 -2.79 0.00 0.00 178.44 175.13 3gum h TYR 139 N 0.85 -0.03 -0.17 2.65 3.20 -1.73 -1.61 116.97 120.12 3gum h TYR 139 Ca 0.36 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.27 3gum h TYR 139 Cb 0.21 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3gum h TYR 139 CO -0.05 0.64 0.12 -0.91 -1.64 0.00 0.00 178.16 176.32 3gum h ASN 140 N -0.75 0.01 0.38 -2.11 4.21 -1.52 -2.46 115.58 113.33 3gum h ASN 140 Ca -0.00 -0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.19 3gum h ASN 140 Cb 0.68 -0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.84 3gum h ASN 140 CO 0.01 0.01 -1.81 0.00 -1.29 0.00 0.00 177.43 174.35 3gum n GLN 141 N -4.49 0.67 -3.05 0.81 6.02 -0.80 -4.59 117.38 111.95 3gum n GLN 141 Ca 0.01 0.28 -0.24 0.00 -0.01 0.00 0.00 57.00 57.04 3gum n GLN 141 Cb 0.25 -1.76 -0.04 0.00 1.02 0.00 0.00 30.24 29.70 3gum n GLN 141 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gum h PRO 143 N 3.08 0.00 0.05 0.00 0.11 -1.68 -0.18 132.00 133.37 3gum h PRO 143 Ca 0.12 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.92 3gum h PRO 143 Cb 0.66 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 3gum h PRO 143 CO 0.72 0.12 -1.73 -0.44 -0.21 0.00 0.00 178.00 176.45 3gum h ASP 144 N 0.00 0.16 1.32 -2.05 3.32 -1.92 -2.08 116.42 115.17 3gum h ASP 144 Ca -0.00 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 3gum h ASP 144 Cb 0.63 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3gum h ASP 144 CO 0.02 1.29 -0.16 -0.09 -1.72 0.00 0.00 179.24 178.58 3gum h ARG 145 N 0.03 0.00 0.00 3.56 9.65 -1.74 -3.36 114.38 122.51 3gum h ARG 145 Ca -0.31 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.36 3gum h ARG 145 Cb 2.01 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 30.55 3gum h ARG 145 CO 0.09 0.16 -1.91 0.00 2.80 0.00 0.00 179.97 181.11 3gum n ALA 146 N -2.16 1.79 -0.01 2.80 0.00 -0.11 -4.69 120.51 118.12 3gum n ALA 146 Ca 0.02 -0.83 -0.10 0.00 0.00 0.00 0.00 53.44 52.52 3gum n ALA 146 Cb 0.48 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 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 0.10 -0.06 0.00 2.10 -1.52 -2.15 116.57 115.03 3gum h LYS 147 Ca -0.32 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.28 3gum h LYS 147 Cb 1.68 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.98 3gum h LYS 147 CO 0.02 0.06 -0.14 0.00 -2.00 0.00 0.00 179.45 177.39 3gum h ARG 148 N 0.10 0.09 -0.25 0.07 3.08 -1.85 -1.58 114.38 114.04 3gum h ARG 148 Ca 0.05 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 3gum h ARG 148 Cb 0.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3gum h ARG 148 CO -0.05 0.24 -0.40 0.28 -1.07 0.00 0.00 179.97 178.97 3gum h VAL 149 N 0.09 1.31 -0.10 2.04 2.07 -1.68 -1.77 116.25 118.21 3gum h VAL 149 Ca 0.02 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 3gum h VAL 149 Cb 0.31 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3gum h VAL 149 CO 0.02 0.51 0.05 0.40 0.02 0.00 0.00 177.57 178.57 3gum h ILE 150 N 0.44 1.10 -0.92 4.57 1.08 -1.06 -1.61 117.51 121.10 3gum h ILE 150 Ca 0.02 -0.27 0.09 0.00 -0.39 0.00 0.00 64.86 64.31 3gum h ILE 150 Cb 0.99 1.11 -0.07 0.00 -3.07 0.00 0.00 36.82 35.78 3gum h ILE 150 CO 0.09 0.08 0.59 0.74 -0.69 0.00 0.00 178.15 178.97 3gum h THR 151 N 0.05 0.98 -0.50 -0.27 2.02 -1.26 -1.02 112.91 112.91 3gum h THR 151 Ca 0.03 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 3gum h THR 151 Cb 0.09 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3gum h THR 151 CO -0.00 0.17 -0.18 0.74 0.37 0.00 0.00 175.52 176.62 3gum h THR 152 N 0.95 1.27 -0.71 3.16 2.02 -1.03 0.86 112.91 119.42 3gum h THR 152 Ca 0.43 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 3gum h THR 152 Cb 0.37 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3gum h THR 152 CO -0.19 0.47 0.43 -0.26 0.37 0.00 0.00 175.52 176.34 3gum h PHE 153 N 0.88 0.92 -0.04 3.16 0.04 -0.87 0.20 116.94 121.24 3gum h PHE 153 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3gum h PHE 153 Cb 0.76 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.61 3gum h PHE 153 CO 0.05 0.61 -0.01 -0.09 -0.60 0.00 0.00 178.31 178.27 3gum h ARG 154 N 0.97 0.09 0.04 1.51 2.43 -0.62 -3.39 114.38 115.42 3gum h ARG 154 Ca 0.26 -0.03 -0.35 0.00 -0.81 0.00 0.00 59.98 59.04 3gum h ARG 154 Cb -0.05 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 3gum h ARG 154 CO -0.05 0.45 -2.09 0.25 -1.51 0.00 0.00 179.97 177.02 3gum n THR 155 N -4.84 1.61 -1.22 0.20 -2.24 0.24 -4.78 114.28 103.26 3gum n THR 155 Ca -0.07 -0.71 -0.07 0.00 -2.27 0.00 0.00 64.05 60.93 3gum n THR 155 Cb 0.23 -1.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.17 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 1.89 0.89 3.66 3.38 0.00 0.71 -5.04 105.19 110.68 3gum n GLY 156 Ca -0.31 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.25 1.92 -2.33 2.61 -4.23 -1.26 -4.76 115.64 105.34 3gum s THR 157 Ca 0.00 -1.95 0.21 0.00 -1.18 0.00 0.00 61.69 58.77 3gum s THR 157 Cb 0.00 -2.87 0.44 0.00 1.34 0.00 0.00 72.50 71.41 3gum s THR 157 CO 0.00 0.00 1.48 0.79 -0.54 0.00 0.00 174.62 176.35 3gum n TRP 158 N -1.07 0.32 -0.23 3.99 5.03 -1.26 -4.57 117.44 119.64 3gum n TRP 158 Ca -0.06 -0.16 0.19 0.00 3.03 0.00 0.00 57.50 60.50 3gum n TRP 158 Cb 0.67 0.00 0.52 0.00 -1.03 0.00 0.00 31.31 31.47 3gum n TRP 158 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 3gum h ASP 159 N 2.94 0.39 -0.01 -0.99 3.32 -1.97 0.40 116.42 120.49 3gum h ASP 159 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3gum h ASP 159 Cb 0.65 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3gum h ASP 159 CO 0.00 0.16 0.01 0.00 -1.72 0.00 0.00 179.24 177.69 3gum h ALA 160 N 1.61 1.54 -0.53 3.45 0.00 -1.92 -2.85 119.26 120.57 3gum h ALA 160 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3gum h ALA 160 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3gum h ALA 160 CO -0.17 -0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.72 3gum n TYR 161 N -3.83 0.69 1.37 0.00 4.02 0.13 -4.98 117.16 114.56 3gum n TYR 161 Ca -0.03 -0.35 0.13 0.00 -0.01 0.00 0.00 57.90 57.65 3gum n TYR 161 Cb 0.10 -0.00 0.42 0.00 -0.02 0.00 0.00 39.34 39.83 3gum n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02