#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gg9 s LEU 12 N 0.00 4.28 -0.33 2.46 1.43 -1.26 -4.92 118.68 120.33 3gg9 s LEU 12 Ca 0.00 0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 3gg9 s LEU 12 Cb 0.00 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.15 3gg9 s LEU 12 CO 0.00 0.01 0.80 -0.75 0.23 0.00 0.00 176.35 176.64 3gg9 s LYS 13 N -3.18 3.89 -0.06 1.70 2.36 -1.26 -1.67 119.74 121.51 3gg9 s LYS 13 Ca 0.37 0.50 0.05 0.00 -2.55 0.00 0.00 55.97 54.33 3gg9 s LYS 13 Cb -0.11 -3.76 -0.02 0.00 -1.05 0.00 0.00 37.83 32.89 3gg9 s LYS 13 CO 0.28 -0.76 -0.20 0.42 1.55 0.00 0.00 175.35 176.65 3gg9 s ILE 14 N 3.05 2.52 -0.03 5.43 1.01 0.13 -0.95 121.20 132.36 3gg9 s ILE 14 Ca 0.33 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.13 3gg9 s ILE 14 Cb -0.14 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3gg9 s ILE 14 CO 0.14 0.57 -0.22 0.00 0.00 0.00 0.00 174.94 175.44 3gg9 s ALA 15 N -0.29 1.83 -0.17 9.38 0.00 -0.49 -0.85 121.76 131.17 3gg9 s ALA 15 Ca 0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 3gg9 s ALA 15 Cb -0.13 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 3gg9 s ALA 15 CO 0.03 0.42 -0.08 0.08 0.00 0.00 0.00 175.76 176.20 3gg9 s VAL 16 N -0.38 3.27 0.21 0.00 1.01 -0.08 -0.09 120.40 124.35 3gg9 s VAL 16 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gg9 s VAL 16 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3gg9 s VAL 16 CO 0.00 0.48 0.39 -0.76 0.00 0.00 0.00 175.10 175.21 3gg9 s LEU 17 N 0.84 4.23 -1.26 3.92 1.43 -1.00 -0.82 118.68 126.02 3gg9 s LEU 17 Ca -0.03 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.36 3gg9 s LEU 17 Cb -0.15 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.95 3gg9 s LEU 17 CO 0.01 -0.06 0.92 0.47 0.23 0.00 0.00 176.35 177.92 3gg9 n ASP 18 N -0.81 -5.85 -4.30 2.29 8.00 -1.21 -4.40 116.55 110.26 3gg9 n ASP 18 Ca -0.05 -0.42 -0.44 0.00 0.71 0.00 0.00 54.79 54.58 3gg9 n ASP 18 Cb 0.54 -4.53 -0.02 0.00 -0.02 0.00 0.00 41.12 37.10 3gg9 n ASP 18 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gg9 s ASP 19 N -3.13 6.94 0.31 -2.24 2.15 -0.34 -4.92 116.67 115.44 3gg9 s ASP 19 Ca 0.45 -3.29 0.01 0.00 0.43 0.00 0.00 52.55 50.15 3gg9 s ASP 19 Cb -0.20 -2.17 0.52 0.00 -0.30 0.00 0.00 42.92 40.77 3gg9 s ASP 19 CO 0.56 -0.37 1.91 1.88 -0.17 0.00 0.00 175.17 178.98 3gg9 h TYR 20 N 6.97 0.81 -0.71 -5.34 0.05 -1.82 -1.84 116.97 115.08 3gg9 h TYR 20 Ca 0.15 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3gg9 h TYR 20 Cb 0.92 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3gg9 h TYR 20 CO 0.84 0.61 0.00 1.04 -1.05 0.00 0.00 178.16 179.60 3gg9 n GLN 21 N -4.35 2.91 -3.71 4.88 6.02 -1.26 -4.89 117.38 116.98 3gg9 n GLN 21 Ca 0.05 -2.69 -0.24 0.00 -0.01 0.00 0.00 57.00 54.11 3gg9 n GLN 21 Cb 0.15 -1.61 0.05 0.00 1.02 0.00 0.00 30.24 29.84 3gg9 n GLN 21 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3gg9 n ASP 22 N 1.53 -3.55 0.00 1.08 2.03 -0.69 -4.89 116.55 112.05 3gg9 n ASP 22 Ca 0.24 -0.72 -0.10 0.00 0.52 0.00 0.00 54.79 54.73 3gg9 n ASP 22 Cb 0.66 -4.36 -0.14 0.00 -0.72 0.00 0.00 41.12 36.57 3gg9 n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gg9 h ALA 23 N 0.94 0.64 -0.47 -1.67 0.00 -1.93 -3.40 119.26 113.37 3gg9 h ALA 23 Ca -0.59 -1.34 0.03 0.00 0.00 0.00 0.00 54.91 53.00 3gg9 h ALA 23 Cb 1.36 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 3gg9 h ALA 23 CO 0.59 1.48 0.26 0.28 0.00 0.00 0.00 179.25 181.86 3gg9 h VAL 24 N 0.01 1.02 0.00 0.00 2.07 -1.93 -2.21 116.25 115.21 3gg9 h VAL 24 Ca -0.25 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3gg9 h VAL 24 Cb 1.98 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3gg9 h VAL 24 CO 0.09 0.10 0.00 0.08 0.02 0.00 0.00 177.57 177.86 3gg9 h ARG 25 N 0.53 0.00 -0.14 1.57 0.11 -2.00 -2.41 114.38 112.04 3gg9 h ARG 25 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 3gg9 h ARG 25 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 3gg9 h ARG 25 CO -0.10 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.60 3gg9 n LYS 26 N -2.31 2.23 -2.56 0.08 5.02 -0.84 -4.89 118.16 114.89 3gg9 n LYS 26 Ca 0.01 -1.82 -0.34 0.00 -2.02 0.00 0.00 58.31 54.14 3gg9 n LYS 26 Cb 0.18 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 3gg9 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gg9 s LEU 27 N -1.81 3.91 0.33 -0.35 1.43 -0.91 -4.93 118.68 116.35 3gg9 s LEU 27 Ca 0.33 1.94 0.06 0.00 -1.03 0.00 0.00 54.13 55.42 3gg9 s LEU 27 Cb 0.21 -4.48 0.72 0.00 0.03 0.00 0.00 46.19 42.66 3gg9 s LEU 27 CO 0.31 -0.69 1.87 0.44 0.23 0.00 0.00 176.35 178.50 3gg9 h ASP 28 N 1.78 0.75 0.96 2.29 3.32 -1.93 -2.56 116.42 121.04 3gg9 h ASP 28 Ca -0.49 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3gg9 h ASP 28 Cb 1.22 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3gg9 h ASP 28 CO 0.60 0.40 0.00 0.00 -1.72 0.00 0.00 179.24 178.52 3gg9 h PHE 30 N 0.00 0.00 0.00 0.00 3.57 -1.70 -0.92 116.94 117.89 3gg9 h PHE 30 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gg9 h PHE 30 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3gg9 h PHE 30 CO 0.00 0.00 0.00 0.66 -2.23 0.00 0.00 178.31 176.74 3gg9 h SER 31 N 0.00 0.00 -0.19 0.41 4.64 -1.77 -2.29 113.55 114.35 3gg9 h SER 31 Ca 0.16 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 3gg9 h SER 31 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3gg9 h SER 31 CO -0.00 0.00 0.15 -0.07 -0.87 0.00 0.00 176.83 176.04 3gg9 h LEU 32 N 0.00 0.00 -3.60 5.97 3.38 -1.42 -2.73 115.31 116.91 3gg9 h LEU 32 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3gg9 h LEU 32 Cb 0.25 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.78 3gg9 h LEU 32 CO 0.00 0.00 0.47 0.18 0.09 0.00 0.00 178.44 179.18 3gg9 n LEU 33 N -4.20 5.98 0.22 1.67 4.77 -0.86 -4.64 117.00 119.93 3gg9 n LEU 33 Ca 0.02 -3.17 0.07 0.00 -0.03 0.00 0.00 56.01 52.90 3gg9 n LEU 33 Cb 0.29 -0.77 0.50 0.00 -2.33 0.00 0.00 43.42 41.11 3gg9 n LEU 33 CO 0.32 0.90 0.83 0.06 -1.33 0.00 0.00 177.39 178.18 3gg9 h GLN 34 N 1.23 0.00 -0.06 3.23 3.07 -1.69 -1.35 115.11 119.55 3gg9 h GLN 34 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.20 3gg9 h GLN 34 Cb 2.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 30.02 3gg9 h GLN 34 CO 0.86 0.26 0.00 -3.47 0.09 0.00 0.00 178.83 176.56 3gg9 n ASP 35 N -3.93 0.43 -4.30 0.06 2.03 -1.26 -4.91 116.55 104.68 3gg9 n ASP 35 Ca -0.02 -1.66 -0.16 0.00 0.52 0.00 0.00 54.79 53.47 3gg9 n ASP 35 Cb 0.33 -0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.60 3gg9 n ASP 35 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3gg9 s HIS 36 N -1.93 1.46 -0.31 -0.67 3.76 -0.51 -4.43 115.29 112.66 3gg9 s HIS 36 Ca 0.21 -0.78 -0.15 0.00 -0.15 0.00 0.00 55.06 54.20 3gg9 s HIS 36 Cb 0.10 -0.77 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 3gg9 s HIS 36 CO 0.16 0.09 0.34 -2.00 -0.85 0.00 0.00 174.74 172.49 3gg9 s GLU 37 N -3.77 3.73 -0.13 1.40 2.12 -0.67 -4.99 118.70 116.40 3gg9 s GLU 37 Ca 0.22 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.29 3gg9 s GLU 37 Cb 0.03 -3.75 0.00 0.00 0.26 0.00 0.00 34.13 30.68 3gg9 s GLU 37 CO 0.05 -0.41 -0.20 0.08 -0.54 0.00 0.00 175.26 174.23 3gg9 s VAL 38 N 2.00 2.32 -0.15 3.70 1.01 -1.26 0.21 120.40 128.22 3gg9 s VAL 38 Ca 0.12 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3gg9 s VAL 38 Cb -0.16 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3gg9 s VAL 38 CO 0.11 0.54 -0.11 -0.75 0.00 0.00 0.00 175.10 174.89 3gg9 s LYS 39 N 0.57 3.36 -0.19 2.72 2.47 -0.03 -4.99 119.74 123.64 3gg9 s LYS 39 Ca -0.12 -0.68 -0.05 0.00 -1.56 0.00 0.00 55.97 53.56 3gg9 s LYS 39 Cb -0.16 -2.72 -0.03 0.00 -1.46 0.00 0.00 37.83 33.46 3gg9 s LYS 39 CO 0.04 0.09 0.01 0.08 0.16 0.00 0.00 175.35 175.73 3gg9 s VAL 40 N 0.68 4.14 0.05 4.02 1.01 -1.26 -0.90 120.40 128.14 3gg9 s VAL 40 Ca -0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3gg9 s VAL 40 Cb -0.15 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3gg9 s VAL 40 CO 0.02 0.44 0.34 -0.36 0.00 0.00 0.00 175.10 175.54 3gg9 s PHE 41 N 0.80 3.58 -1.19 5.22 0.40 0.00 -4.97 117.98 121.82 3gg9 s PHE 41 Ca 0.01 0.68 0.12 0.00 -0.60 0.00 0.00 56.93 57.14 3gg9 s PHE 41 Cb -0.14 -2.08 0.26 0.00 0.51 0.00 0.00 43.02 41.57 3gg9 s PHE 41 CO 0.02 0.56 1.15 0.09 0.70 0.00 0.00 175.22 177.73 3gg9 n ASN 42 N 0.96 2.68 -3.92 1.36 5.03 -1.26 -1.20 115.26 118.92 3gg9 n ASN 42 Ca -0.09 -1.83 -0.13 0.00 0.87 0.00 0.00 54.58 53.39 3gg9 n ASN 42 Cb 0.52 -0.17 -0.08 0.00 -1.02 0.00 0.00 39.78 39.03 3gg9 n ASN 42 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gg9 s ASN 43 N -1.01 0.51 -0.09 6.41 2.20 -1.26 -4.04 114.94 117.66 3gg9 s ASN 43 Ca 0.22 -1.42 -0.01 0.00 -0.94 0.00 0.00 52.86 50.71 3gg9 s ASN 43 Cb 0.12 0.47 -0.03 0.00 -2.00 0.00 0.00 41.25 39.81 3gg9 s ASN 43 CO 0.17 -0.96 -0.03 -0.89 -2.94 0.00 0.00 177.10 172.44 3gg9 s THR 44 N -3.90 3.99 -0.13 0.54 2.01 -1.26 -4.07 115.64 112.83 3gg9 s THR 44 Ca 0.37 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3gg9 s THR 44 Cb 0.04 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.90 3gg9 s THR 44 CO 0.16 0.59 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.78 3gg9 s VAL 45 N -0.66 1.92 0.05 3.82 1.01 -1.26 -5.08 120.40 120.19 3gg9 s VAL 45 Ca 0.10 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3gg9 s VAL 45 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3gg9 s VAL 45 CO 0.02 0.52 0.04 -0.54 0.00 0.00 0.00 175.10 175.14 3gg9 s LYS 46 N 0.83 2.80 0.00 2.72 -0.14 -1.26 -4.75 119.74 119.94 3gg9 s LYS 46 Ca -0.07 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 3gg9 s LYS 46 Cb -0.15 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 3gg9 s LYS 46 CO -0.01 0.59 0.00 0.41 -0.76 0.00 0.00 175.35 175.57 3gg9 n GLY 47 N 0.85 1.34 0.17 -3.33 0.00 -1.26 -4.78 105.19 98.17 3gg9 n GLY 47 Ca -0.11 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 3gg9 n GLY 47 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gg9 h VAL 48 N 0.00 0.96 0.42 1.61 2.07 -1.96 -2.95 116.25 116.40 3gg9 h VAL 48 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3gg9 h VAL 48 Cb 0.00 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3gg9 h VAL 48 CO 0.00 0.07 -0.50 1.23 0.02 0.00 0.00 177.57 178.39 3gg9 h GLY 49 N 0.37 -1.24 1.26 2.17 0.00 -1.96 -0.22 103.07 103.45 3gg9 h GLY 49 Ca 0.16 0.60 -0.02 0.00 0.00 0.00 0.00 47.33 48.07 3gg9 h GLY 49 CO -0.12 -0.35 0.34 1.46 0.00 0.00 0.00 176.54 177.86 3gg9 h GLN 50 N -0.94 0.96 -0.19 4.80 4.20 -1.86 -2.21 115.11 119.87 3gg9 h GLN 50 Ca -0.05 -0.12 -0.15 0.00 0.06 0.00 0.00 58.65 58.38 3gg9 h GLN 50 Cb 0.83 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3gg9 h GLN 50 CO -0.11 0.74 -0.48 1.25 -0.67 0.00 0.00 178.83 179.56 3gg9 h LEU 51 N 0.96 0.76 -0.96 1.46 5.85 -1.40 -2.26 115.31 119.72 3gg9 h LEU 51 Ca 0.24 -0.57 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 3gg9 h LEU 51 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3gg9 h LEU 51 CO -0.03 1.19 0.30 0.00 -0.34 0.00 0.00 178.44 179.57 3gg9 h ALA 52 N 0.59 1.18 -0.25 1.25 0.00 -0.89 -1.83 119.26 119.31 3gg9 h ALA 52 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3gg9 h ALA 52 Cb 1.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3gg9 h ALA 52 CO 0.11 0.60 -0.19 0.00 0.00 0.00 0.00 179.25 179.77 3gg9 h ALA 53 N 1.30 1.22 -0.50 0.00 0.00 -1.40 -1.82 119.26 118.06 3gg9 h ALA 53 Ca 0.24 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3gg9 h ALA 53 Cb 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3gg9 h ALA 53 CO -0.02 0.51 -0.09 -0.09 0.00 0.00 0.00 179.25 179.55 3gg9 h ARG 54 N 0.40 0.94 -0.42 0.00 2.43 -0.83 -3.28 114.38 113.61 3gg9 h ARG 54 Ca 0.07 -0.35 -0.19 0.00 -0.81 0.00 0.00 59.98 58.71 3gg9 h ARG 54 Cb 0.56 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 29.94 3gg9 h ARG 54 CO 0.04 1.01 0.03 1.33 -1.51 0.00 0.00 179.97 180.87 3gg9 n VAL 55 N -4.23 2.59 -0.27 0.20 0.24 -0.74 -4.81 118.33 111.32 3gg9 n VAL 55 Ca 0.01 -2.45 0.03 0.00 -2.04 0.00 0.00 64.34 59.89 3gg9 n VAL 55 Cb 0.38 -0.33 0.25 0.00 -1.47 0.00 0.00 33.84 32.67 3gg9 n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gg9 h ALA 56 N 1.21 1.51 -0.02 2.33 0.00 -1.39 -2.63 119.26 120.26 3gg9 h ALA 56 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gg9 h ALA 56 Cb 1.78 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3gg9 h ALA 56 CO 0.45 0.39 -0.06 -0.25 0.00 0.00 0.00 179.25 179.78 3gg9 n ASP 57 N -4.46 2.19 -4.76 0.00 8.00 -1.26 -4.56 116.55 111.70 3gg9 n ASP 57 Ca 0.12 -1.68 -0.40 0.00 0.71 0.00 0.00 54.79 53.54 3gg9 n ASP 57 Cb 0.15 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3gg9 n ASP 57 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gg9 s VAL 58 N -2.08 4.37 -0.12 2.53 -7.23 -1.00 -4.78 120.40 112.09 3gg9 s VAL 58 Ca 0.31 1.81 0.19 0.00 -1.81 0.00 0.00 61.98 62.48 3gg9 s VAL 58 Cb 0.20 -4.19 -0.23 0.00 0.56 0.00 0.00 36.38 32.72 3gg9 s VAL 58 CO 0.35 0.47 0.49 -0.62 -0.31 0.00 0.00 175.10 175.49 3gg9 n GLU 59 N 1.87 0.65 -4.39 4.82 1.02 -0.13 -3.48 120.64 121.01 3gg9 n GLU 59 Ca -0.04 0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 3gg9 n GLU 59 Cb 0.49 -1.63 -0.16 0.00 -0.02 0.00 0.00 31.44 30.11 3gg9 n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gg9 s ALA 60 N -2.97 0.97 -0.14 0.62 0.00 -0.85 -0.67 121.76 118.72 3gg9 s ALA 60 Ca -0.07 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.66 3gg9 s ALA 60 Cb 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.74 3gg9 s ALA 60 CO 0.84 0.07 -0.19 -1.17 0.00 0.00 0.00 175.76 175.31 3gg9 s LEU 61 N 0.72 2.29 -0.25 0.00 2.96 -0.22 -1.39 118.68 122.79 3gg9 s LEU 61 Ca -0.12 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 3gg9 s LEU 61 Cb -0.15 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 3gg9 s LEU 61 CO 0.02 0.10 0.14 -0.69 -1.32 0.00 0.00 176.35 174.60 3gg9 s VAL 62 N 0.73 5.04 -0.12 1.68 1.01 0.88 -0.11 120.40 129.50 3gg9 s VAL 62 Ca -0.08 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3gg9 s VAL 62 Cb -0.16 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3gg9 s VAL 62 CO 0.01 0.32 0.07 -0.76 0.00 0.00 0.00 175.10 174.74 3gg9 s LEU 63 N 1.35 3.96 -0.56 3.92 1.43 -0.75 -2.37 118.68 125.66 3gg9 s LEU 63 Ca 0.06 0.27 -0.19 0.00 -1.03 0.00 0.00 54.13 53.24 3gg9 s LEU 63 Cb -0.15 -1.95 0.08 0.00 0.03 0.00 0.00 46.19 44.21 3gg9 s LEU 63 CO 0.06 0.35 0.68 -0.63 0.23 0.00 0.00 176.35 177.05 3gg9 s ILE 64 N -0.70 4.82 0.00 -0.59 1.01 -1.26 -2.21 121.20 122.26 3gg9 s ILE 64 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3gg9 s ILE 64 Cb -0.12 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 37.94 3gg9 s ILE 64 CO 0.03 -1.00 0.00 0.54 0.00 0.00 0.00 174.94 174.50 3gg9 n ARG 65 N 6.33 0.00 -0.94 2.79 1.74 -1.25 -1.82 116.66 123.51 3gg9 n ARG 65 Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 3gg9 n ARG 65 Cb 0.44 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.17 3gg9 n ARG 65 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3gg9 n GLU 66 N 14.00 3.49 0.18 5.56 1.02 -1.26 -4.67 120.64 138.97 3gg9 n GLU 66 Ca 0.00 -3.08 0.04 0.00 -0.02 0.00 0.00 57.16 54.10 3gg9 n GLU 66 Cb 0.00 -2.14 0.44 0.00 -0.02 0.00 0.00 31.44 29.72 3gg9 n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gg9 h ARG 67 N 2.44 0.07 -4.86 3.49 3.08 -1.77 -3.41 114.38 113.42 3gg9 h ARG 67 Ca 0.23 -0.02 -0.54 0.00 0.07 0.00 0.00 59.98 59.72 3gg9 h ARG 67 Cb 2.17 -0.01 -0.33 0.00 0.08 0.00 0.00 29.97 31.89 3gg9 h ARG 67 CO 0.65 0.28 -0.83 0.99 -1.07 0.00 0.00 179.97 179.99 3gg9 s THR 68 N -4.56 1.30 0.04 2.04 2.01 -1.26 -4.97 115.64 110.23 3gg9 s THR 68 Ca -0.04 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 3gg9 s THR 68 Cb 0.15 -1.15 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 3gg9 s THR 68 CO 0.71 0.39 0.42 0.00 -0.69 0.00 0.00 174.62 175.45 3gg9 s ARG 69 N 0.41 3.86 -0.36 4.92 1.70 -1.26 -4.89 118.95 123.32 3gg9 s ARG 69 Ca -0.11 0.33 -0.06 0.00 -0.47 0.00 0.00 55.73 55.42 3gg9 s ARG 69 Cb -0.14 -3.11 0.06 0.00 -0.57 0.00 0.00 34.95 31.19 3gg9 s ARG 69 CO 0.04 0.62 0.14 0.08 -1.08 0.00 0.00 175.30 175.10 3gg9 s VAL 70 N -1.23 3.69 0.30 4.99 1.01 0.15 -5.01 120.40 124.30 3gg9 s VAL 70 Ca 0.28 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.93 3gg9 s VAL 70 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3gg9 s VAL 70 CO 0.16 -0.32 0.46 0.42 0.00 0.00 0.00 175.10 175.81 3gg9 s THR 71 N 1.35 4.93 0.27 3.92 -4.23 -1.26 -1.52 115.64 119.10 3gg9 s THR 71 Ca 0.00 -0.79 -0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3gg9 s THR 71 Cb -0.21 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.14 3gg9 s THR 71 CO 0.01 -0.37 1.83 -0.09 -0.54 0.00 0.00 174.62 175.46 3gg9 h ARG 72 N 0.94 0.92 -0.30 3.99 2.43 -1.96 -1.57 114.38 118.83 3gg9 h ARG 72 Ca -0.50 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.60 3gg9 h ARG 72 Cb 1.23 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 3gg9 h ARG 72 CO 0.60 0.61 0.13 1.96 -1.51 0.00 0.00 179.97 181.76 3gg9 h GLN 73 N 0.94 0.41 -0.02 0.20 4.20 -1.99 -0.10 115.11 118.75 3gg9 h GLN 73 Ca 0.47 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 59.08 3gg9 h GLN 73 Cb 0.45 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3gg9 h GLN 73 CO -0.26 0.33 -0.21 1.25 -0.67 0.00 0.00 178.83 179.27 3gg9 h LEU 74 N 0.41 0.22 -1.84 1.46 5.85 -1.80 -3.28 115.31 116.34 3gg9 h LEU 74 Ca 0.10 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3gg9 h LEU 74 Cb 0.06 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3gg9 h LEU 74 CO -0.01 0.90 0.11 -0.07 -0.34 0.00 0.00 178.44 179.03 3gg9 h LEU 75 N -0.43 0.19 -1.90 2.25 3.38 -0.79 0.01 115.31 118.01 3gg9 h LEU 75 Ca -0.02 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gg9 h LEU 75 Cb 0.91 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3gg9 h LEU 75 CO 0.04 0.14 0.09 0.44 0.09 0.00 0.00 178.44 179.24 3gg9 h ASP 76 N 0.22 0.12 -0.47 -0.43 3.45 -1.11 -2.72 116.42 115.49 3gg9 h ASP 76 Ca 0.06 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 3gg9 h ASP 76 Cb -0.01 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3gg9 h ASP 76 CO -0.01 0.08 0.00 0.54 -1.57 0.00 0.00 179.24 178.28 3gg9 n ARG 77 N -4.52 2.30 -3.65 3.56 1.74 -0.02 -4.71 116.66 111.37 3gg9 n ARG 77 Ca -0.01 -2.00 -0.27 0.00 -0.77 0.00 0.00 57.85 54.80 3gg9 n ARG 77 Cb 0.12 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 29.99 3gg9 n ARG 77 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gg9 n LEU 78 N 1.15 1.73 0.16 0.55 4.77 -1.03 -4.93 117.00 119.41 3gg9 n LEU 78 Ca 0.19 -4.92 0.04 0.00 -0.03 0.00 0.00 56.01 51.29 3gg9 n LEU 78 Cb 0.50 -0.22 0.44 0.00 -2.33 0.00 0.00 43.42 41.81 3gg9 n LEU 78 CO 0.14 1.84 0.90 1.55 -1.33 0.00 0.00 177.39 180.48 3gg9 h PRO 79 N 5.29 0.13 -0.00 3.23 0.13 -1.84 -3.13 132.00 135.81 3gg9 h PRO 79 Ca 0.19 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gg9 h PRO 79 Cb 0.81 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3gg9 h PRO 79 CO 0.59 0.29 -0.21 1.63 -0.23 0.00 0.00 178.00 180.07 3gg9 n LYS 80 N -4.30 0.11 -2.24 0.86 5.02 -1.26 -4.89 118.16 111.45 3gg9 n LYS 80 Ca -0.01 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 3gg9 n LYS 80 Cb 0.26 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3gg9 n LYS 80 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gg9 s LEU 81 N -2.92 4.34 -0.04 -0.35 2.96 -1.19 -4.22 118.68 117.27 3gg9 s LEU 81 Ca 0.15 2.15 0.02 0.00 -0.22 0.00 0.00 54.13 56.23 3gg9 s LEU 81 Cb 0.19 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 3gg9 s LEU 81 CO 0.59 -0.67 -0.00 0.29 -1.32 0.00 0.00 176.35 175.24 3gg9 n LYS 82 N 4.84 2.58 -4.17 1.98 5.02 0.15 -4.77 118.16 123.79 3gg9 n LYS 82 Ca 0.12 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.23 3gg9 n LYS 82 Cb 0.44 -1.09 -0.16 0.00 -0.02 0.00 0.00 35.03 34.20 3gg9 n LYS 82 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gg9 s ILE 83 N -2.09 0.49 -0.20 -0.18 1.01 -0.72 -1.98 121.20 117.54 3gg9 s ILE 83 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 3gg9 s ILE 83 Cb 0.01 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.99 3gg9 s ILE 83 CO 0.14 0.19 -0.07 -0.63 0.00 0.00 0.00 174.94 174.57 3gg9 s ILE 84 N 0.57 3.24 -0.28 2.92 1.01 -0.16 -1.06 121.20 127.44 3gg9 s ILE 84 Ca -0.07 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 3gg9 s ILE 84 Cb -0.11 -2.44 0.01 0.00 0.01 0.00 0.00 42.46 39.93 3gg9 s ILE 84 CO -0.00 0.46 0.05 -0.55 0.00 0.00 0.00 174.94 174.89 3gg9 s SER 85 N 1.18 4.94 -0.17 3.58 0.15 0.84 0.16 113.70 124.37 3gg9 s SER 85 Ca 0.02 -0.74 -0.17 0.00 0.70 0.00 0.00 55.95 55.76 3gg9 s SER 85 Cb -0.14 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 3gg9 s SER 85 CO -0.02 -0.17 0.44 -1.58 1.20 0.00 0.00 173.24 173.10 3gg9 s GLN 86 N 1.46 4.23 0.01 5.44 2.00 -0.35 -1.81 119.66 130.65 3gg9 s GLN 86 Ca 0.02 0.30 -0.30 0.00 -2.00 0.00 0.00 55.36 53.38 3gg9 s GLN 86 Cb -0.17 -3.50 -0.05 0.00 0.80 0.00 0.00 33.01 30.09 3gg9 s GLN 86 CO 0.01 0.02 1.20 0.95 -0.50 0.00 0.00 175.29 176.96 3gg9 s THR 87 N 1.12 4.14 0.00 -0.34 -4.23 -0.94 -2.11 115.64 113.28 3gg9 s THR 87 Ca 0.22 1.52 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 3gg9 s THR 87 Cb -0.15 -3.97 0.00 0.00 1.34 0.00 0.00 72.50 69.72 3gg9 s THR 87 CO 0.08 0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 3gg9 n GLY 88 N 3.27 -1.34 3.80 3.99 0.00 -1.25 -3.97 105.19 109.69 3gg9 n GLY 88 Ca 0.10 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 3gg9 n GLY 88 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gg9 s ARG 89 N 0.00 3.66 -0.25 1.61 1.70 -1.26 -1.40 118.95 123.01 3gg9 s ARG 89 Ca 0.00 1.35 -0.08 0.00 -0.47 0.00 0.00 55.73 56.53 3gg9 s ARG 89 Cb 0.00 -2.07 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 3gg9 s ARG 89 CO 0.00 -0.55 0.08 0.08 -1.08 0.00 0.00 175.30 173.83 3gg9 s VAL 90 N -2.06 4.42 -0.01 4.99 1.01 -1.26 -4.92 120.40 122.57 3gg9 s VAL 90 Ca 0.67 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 3gg9 s VAL 90 Cb -0.17 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3gg9 s VAL 90 CO 0.24 0.34 1.11 -0.94 0.00 0.00 0.00 175.10 175.85 3gg9 s SER 91 N 1.56 7.18 0.11 3.32 1.04 -1.26 -4.93 113.70 120.72 3gg9 s SER 91 Ca 0.06 1.80 0.25 0.00 0.48 0.00 0.00 55.95 58.55 3gg9 s SER 91 Cb -0.15 -2.57 0.62 0.00 0.10 0.00 0.00 66.02 64.02 3gg9 s SER 91 CO 0.04 -0.43 1.54 0.54 0.98 0.00 0.00 173.24 175.91 3gg9 n ARG 92 N 4.36 0.20 -1.59 4.02 5.12 -1.26 -4.85 116.66 122.67 3gg9 n ARG 92 Ca 0.09 0.10 -0.29 0.00 -1.93 0.00 0.00 57.85 55.81 3gg9 n ARG 92 Cb 0.48 -1.67 0.12 0.00 -1.16 0.00 0.00 32.46 30.23 3gg9 n ARG 92 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 3gg9 s ASP 93 N -3.96 3.87 0.36 0.55 -4.77 -1.26 -4.99 116.67 106.47 3gg9 s ASP 93 Ca 0.09 1.02 -0.28 0.00 -3.30 0.00 0.00 52.55 50.08 3gg9 s ASP 93 Cb 0.14 -1.63 -0.11 0.00 -1.09 0.00 0.00 42.92 40.23 3gg9 s ASP 93 CO 0.66 -2.33 1.46 0.00 0.70 0.00 0.00 175.17 175.66 3gg9 n ALA 94 N -3.63 2.18 -0.08 2.11 0.00 -1.26 -3.93 120.51 115.90 3gg9 n ALA 94 Ca 0.07 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3gg9 n ALA 94 Cb 0.59 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3gg9 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gg9 n GLY 95 N 0.72 1.40 0.43 0.00 0.00 -1.26 -4.99 105.19 101.49 3gg9 n GLY 95 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3gg9 n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gg9 n GLY 96 N 0.00 -3.12 0.00 -0.02 0.00 -1.25 -4.69 105.19 96.11 3gg9 n GLY 96 Ca 0.00 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.96 3gg9 n GLY 96 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gg9 n HIS 97 N -1.88 0.00 -4.35 1.61 1.44 -1.26 -4.61 115.22 106.18 3gg9 n HIS 97 Ca -0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 3gg9 n HIS 97 Cb 0.14 -0.48 -0.16 0.00 0.12 0.00 0.00 29.99 29.61 3gg9 n HIS 97 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3gg9 s ILE 98 N -2.96 1.94 -0.83 0.61 1.01 -1.26 0.34 121.20 120.06 3gg9 s ILE 98 Ca 0.14 -0.88 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 3gg9 s ILE 98 Cb 0.18 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3gg9 s ILE 98 CO 0.49 0.52 1.69 -0.62 0.00 0.00 0.00 174.94 177.02 3gg9 s ASP 99 N 1.11 5.67 0.22 3.58 -1.08 -0.57 -4.84 116.67 120.76 3gg9 s ASP 99 Ca -0.01 -0.56 -0.02 0.00 -0.52 0.00 0.00 52.55 51.44 3gg9 s ASP 99 Cb -0.14 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 38.97 3gg9 s ASP 99 CO -0.07 -2.20 1.60 -0.07 0.52 0.00 0.00 175.17 174.94 3gg9 h LEU 100 N 15.46 0.63 -0.54 -1.34 3.38 -1.92 -1.89 115.31 129.09 3gg9 h LEU 100 Ca -0.04 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 3gg9 h LEU 100 Cb 1.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3gg9 h LEU 100 CO 1.28 0.95 0.06 -0.33 0.09 0.00 0.00 178.44 180.48 3gg9 h GLU 101 N 0.50 0.92 -0.50 1.13 3.07 -1.99 0.61 114.58 118.33 3gg9 h GLU 101 Ca 0.05 -0.26 -0.06 0.00 -0.50 0.00 0.00 59.36 58.59 3gg9 h GLU 101 Cb 0.88 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 3gg9 h GLU 101 CO 0.08 0.90 0.07 0.00 -1.40 0.00 0.00 179.01 178.66 3gg9 h ALA 102 N 0.98 1.19 -0.14 3.43 0.00 -1.93 -0.58 119.26 122.21 3gg9 h ALA 102 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gg9 h ALA 102 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gg9 h ALA 102 CO 0.02 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.86 3gg9 h THR 104 N 0.07 1.14 -0.78 0.00 2.02 -0.66 0.99 112.91 115.69 3gg9 h THR 104 Ca 0.05 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3gg9 h THR 104 Cb 0.19 -0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 3gg9 h THR 104 CO -0.00 0.20 0.46 0.44 0.37 0.00 0.00 175.52 176.99 3gg9 h ASP 105 N 1.10 0.94 0.25 4.18 3.32 -0.94 -2.37 116.42 122.89 3gg9 h ASP 105 Ca 0.35 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3gg9 h ASP 105 Cb 0.04 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3gg9 h ASP 105 CO -0.11 0.72 -0.15 0.29 -1.72 0.00 0.00 179.24 178.28 3gg9 n LYS 106 N -4.38 0.88 -2.79 3.56 4.76 -0.82 -4.93 118.16 114.45 3gg9 n LYS 106 Ca 0.08 -0.42 -0.17 0.00 -2.87 0.00 0.00 58.31 54.94 3gg9 n LYS 106 Cb 0.07 -1.49 0.03 0.00 -1.84 0.00 0.00 35.03 31.79 3gg9 n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gg9 n GLY 107 N 1.28 -0.22 3.57 0.72 0.00 -0.61 -5.00 105.19 104.93 3gg9 n GLY 107 Ca 0.14 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3gg9 n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gg9 s VAL 108 N -3.00 5.14 0.12 1.61 1.01 0.25 -4.91 120.40 120.61 3gg9 s VAL 108 Ca 0.21 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 3gg9 s VAL 108 Cb -0.09 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3gg9 s VAL 108 CO 0.26 -0.02 0.90 0.68 0.00 0.00 0.00 175.10 176.92 3gg9 s VAL 109 N 2.12 4.47 -0.25 2.92 -7.23 -0.84 -4.15 120.40 117.44 3gg9 s VAL 109 Ca 0.15 1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 62.18 3gg9 s VAL 109 Cb -0.16 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.48 3gg9 s VAL 109 CO 0.11 0.38 0.10 -0.69 -0.31 0.00 0.00 175.10 174.69 3gg9 s VAL 110 N -0.32 4.62 -0.13 1.32 1.01 -1.26 -0.99 120.40 124.65 3gg9 s VAL 110 Ca 0.43 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 3gg9 s VAL 110 Cb -0.23 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3gg9 s VAL 110 CO 0.28 0.33 0.19 -0.76 0.00 0.00 0.00 175.10 175.14 3gg9 s LEU 111 N 1.53 4.34 -0.16 3.92 1.43 0.12 0.27 118.68 130.13 3gg9 s LEU 111 Ca 0.06 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 3gg9 s LEU 111 Cb -0.15 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 3gg9 s LEU 111 CO 0.05 0.30 0.01 -0.70 0.23 0.00 0.00 176.35 176.24 3gg9 s GLU 112 N -0.48 3.75 0.00 1.70 2.12 0.71 -1.21 118.70 125.29 3gg9 s GLU 112 Ca 0.15 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.04 3gg9 s GLU 112 Cb -0.12 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3gg9 s GLU 112 CO 0.04 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.46 3gg9 n GLY 113 N 3.42 0.65 3.38 -1.50 0.00 -0.49 -4.86 105.19 105.78 3gg9 n GLY 113 Ca -0.17 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 3gg9 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gg9 s LYS 114 N -1.33 1.39 0.45 1.61 1.02 -1.26 -4.18 119.74 117.43 3gg9 s LYS 114 Ca 0.00 -1.43 0.02 0.00 0.02 0.00 0.00 55.97 54.58 3gg9 s LYS 114 Cb 0.00 -1.68 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 3gg9 s LYS 114 CO 0.00 0.37 0.13 0.41 -0.92 0.00 0.00 175.35 175.34 3gg9 n GLY 115 N 0.48 3.33 3.08 -3.33 0.00 -1.26 -3.82 105.19 103.66 3gg9 n GLY 115 Ca -0.14 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 43.43 3gg9 n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gg9 s SER 116 N -3.52 -0.21 0.00 1.61 0.15 -1.26 -5.05 113.70 105.42 3gg9 s SER 116 Ca 0.10 0.41 0.28 0.00 0.70 0.00 0.00 55.95 57.44 3gg9 s SER 116 Cb -0.01 0.41 1.02 0.00 -1.71 0.00 0.00 66.02 65.73 3gg9 s SER 116 CO 0.06 -0.08 1.78 -0.81 1.20 0.00 0.00 173.24 175.39 3gg9 n PRO 117 N 3.06 0.00 -0.00 5.44 -0.04 -1.26 -4.48 135.00 137.72 3gg9 n PRO 117 Ca -0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 3gg9 n PRO 117 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 3gg9 n PRO 117 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3gg9 h VAL 118 N 0.00 1.31 -0.27 0.52 2.07 -1.96 -1.87 116.25 116.04 3gg9 h VAL 118 Ca 0.00 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.62 3gg9 h VAL 118 Cb 0.50 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 3gg9 h VAL 118 CO 0.00 0.24 0.15 0.00 0.02 0.00 0.00 177.57 177.98 3gg9 h ALA 119 N 0.62 0.34 0.00 1.67 0.00 -1.84 -0.85 119.26 119.19 3gg9 h ALA 119 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3gg9 h ALA 119 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gg9 h ALA 119 CO 0.00 -0.23 -0.35 -1.00 0.00 0.00 0.00 179.25 177.67 3gg9 h PRO 120 N 0.32 0.00 -0.29 0.00 0.13 -1.50 -1.37 132.00 129.29 3gg9 h PRO 120 Ca 0.11 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.17 3gg9 h PRO 120 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3gg9 h PRO 120 CO -0.05 0.35 -0.07 0.00 -0.23 0.00 0.00 178.00 177.99 3gg9 h ALA 121 N 1.65 0.40 -0.46 -0.56 0.00 -1.01 -1.30 119.26 117.98 3gg9 h ALA 121 Ca -0.00 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3gg9 h ALA 121 Cb 0.83 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3gg9 h ALA 121 CO 0.05 0.22 -0.03 0.93 0.00 0.00 0.00 179.25 180.41 3gg9 h GLU 122 N 0.32 0.77 -0.34 0.00 5.08 -1.11 -2.36 114.58 116.95 3gg9 h GLU 122 Ca 0.07 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3gg9 h GLU 122 Cb 0.55 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3gg9 h GLU 122 CO 0.03 0.80 0.08 1.25 -1.00 0.00 0.00 179.01 180.16 3gg9 h LEU 123 N 0.71 0.52 -0.70 1.33 7.12 -1.18 -0.35 115.31 122.76 3gg9 h LEU 123 Ca 0.14 -0.24 0.15 0.00 0.13 0.00 0.00 57.88 58.06 3gg9 h LEU 123 Cb 0.48 -0.14 -0.12 0.00 -0.53 0.00 0.00 40.66 40.36 3gg9 h LEU 123 CO 0.02 0.62 0.04 0.74 -0.13 0.00 0.00 178.44 179.73 3gg9 h THR 124 N 0.39 0.43 -0.12 1.05 2.02 -0.98 -1.66 112.91 114.05 3gg9 h THR 124 Ca 0.10 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.09 3gg9 h THR 124 Cb 0.31 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 3gg9 h THR 124 CO 0.00 0.03 -0.56 -0.25 0.37 0.00 0.00 175.52 175.10 3gg9 h TRP 125 N 0.14 0.45 -0.94 3.16 2.91 -1.05 -1.54 115.95 119.08 3gg9 h TRP 125 Ca 0.38 -0.16 -0.01 0.00 1.13 0.00 0.00 58.89 60.23 3gg9 h TRP 125 Cb 0.65 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.17 3gg9 h TRP 125 CO -0.37 0.84 0.56 0.00 -1.03 0.00 0.00 178.44 178.44 3gg9 h ALA 126 N 1.13 1.23 -0.31 2.65 0.00 -0.64 -1.17 119.26 122.15 3gg9 h ALA 126 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3gg9 h ALA 126 Cb 1.07 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gg9 h ALA 126 CO 0.09 0.66 -0.45 -0.07 0.00 0.00 0.00 179.25 179.49 3gg9 h LEU 127 N 1.29 0.93 -0.03 0.00 3.38 -1.05 0.25 115.31 120.09 3gg9 h LEU 127 Ca 0.34 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.84 3gg9 h LEU 127 Cb -0.05 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 3gg9 h LEU 127 CO -0.06 1.25 -0.35 0.58 0.09 0.00 0.00 178.44 179.95 3gg9 h VAL 128 N 0.63 0.26 -0.68 1.22 2.07 -1.00 0.70 116.25 119.45 3gg9 h VAL 128 Ca 0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3gg9 h VAL 128 Cb 1.05 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3gg9 h VAL 128 CO 0.10 0.00 0.23 0.24 0.02 0.00 0.00 177.57 178.17 3gg9 h MET 129 N -0.48 1.04 -0.25 1.57 2.86 -1.22 -0.37 114.93 118.08 3gg9 h MET 129 Ca 0.07 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3gg9 h MET 129 Cb 0.58 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3gg9 h MET 129 CO -0.30 0.89 0.08 0.00 1.06 0.00 0.00 176.91 178.65 3gg9 h ALA 130 N 1.10 0.33 -0.03 6.32 0.00 -0.81 -1.94 119.26 124.23 3gg9 h ALA 130 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3gg9 h ALA 130 Cb 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gg9 h ALA 130 CO -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.18 3gg9 h ALA 131 N 0.91 0.04 0.00 0.00 0.00 -0.82 -0.32 119.26 119.07 3gg9 h ALA 131 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3gg9 h ALA 131 Cb 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gg9 h ALA 131 CO -0.00 -0.27 -0.08 1.96 0.00 0.00 0.00 179.25 180.86 3gg9 h GLN 132 N -0.29 0.00 -0.31 0.00 1.08 -1.01 -1.24 115.11 113.34 3gg9 h GLN 132 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3gg9 h GLN 132 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3gg9 h GLN 132 CO 0.00 0.08 0.00 0.54 -0.95 0.00 0.00 178.83 178.50 3gg9 n ARG 133 N -3.51 2.18 -3.18 1.46 5.12 -0.73 -0.93 116.66 117.06 3gg9 n ARG 133 Ca -0.02 -2.00 -0.23 0.00 -1.93 0.00 0.00 57.85 53.67 3gg9 n ARG 133 Cb 0.20 -1.39 0.02 0.00 -1.16 0.00 0.00 32.46 30.13 3gg9 n ARG 133 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3gg9 n ARG 134 N 1.08 -4.30 0.06 5.56 3.00 -0.47 -4.66 116.66 116.93 3gg9 n ARG 134 Ca 0.15 0.72 -0.11 0.00 -0.01 0.00 0.00 57.85 58.59 3gg9 n ARG 134 Cb 0.49 -5.52 -0.05 0.00 0.00 0.00 0.00 32.46 27.39 3gg9 n ARG 134 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 3gg9 h ILE 135 N -1.23 0.68 -0.70 0.55 2.04 -1.37 -0.89 117.51 116.58 3gg9 h ILE 135 Ca -0.49 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.43 3gg9 h ILE 135 Cb 1.33 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 3gg9 h ILE 135 CO 0.55 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 178.45 3gg9 h PRO 136 N -0.23 0.71 -0.32 2.37 0.11 -1.92 -0.72 132.00 132.01 3gg9 h PRO 136 Ca 0.04 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3gg9 h PRO 136 Cb 0.28 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3gg9 h PRO 136 CO -0.12 0.47 0.16 1.96 -0.21 0.00 0.00 178.00 180.27 3gg9 h GLN 137 N 0.74 0.45 -0.47 1.05 7.50 -1.84 -1.35 115.11 121.20 3gg9 h GLN 137 Ca 0.31 -0.06 -0.14 0.00 0.50 0.00 0.00 58.65 59.26 3gg9 h GLN 137 Cb 0.18 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 3gg9 h GLN 137 CO -0.18 0.41 -0.24 1.88 -1.50 0.00 0.00 178.83 179.20 3gg9 h TYR 138 N 0.38 1.13 -0.27 2.96 0.05 -0.96 -2.41 116.97 117.86 3gg9 h TYR 138 Ca 0.11 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 3gg9 h TYR 138 Cb 0.10 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 3gg9 h TYR 138 CO -0.02 1.11 0.08 0.28 -1.05 0.00 0.00 178.16 178.55 3gg9 h VAL 139 N 0.84 1.21 -0.59 -2.88 2.07 -1.01 -2.16 116.25 113.72 3gg9 h VAL 139 Ca 0.10 -0.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 3gg9 h VAL 139 Cb 0.82 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3gg9 h VAL 139 CO 0.07 0.22 -0.02 0.00 0.02 0.00 0.00 177.57 177.85 3gg9 h ALA 140 N 0.90 0.83 -0.78 1.67 0.00 -1.26 -2.40 119.26 118.22 3gg9 h ALA 140 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gg9 h ALA 140 Cb 0.26 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3gg9 h ALA 140 CO -0.00 0.67 0.49 0.77 0.00 0.00 0.00 179.25 181.18 3gg9 h SER 141 N 0.96 0.92 -0.20 0.00 0.02 -1.40 -2.95 113.55 110.91 3gg9 h SER 141 Ca 0.17 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3gg9 h SER 141 Cb 0.58 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3gg9 h SER 141 CO 0.03 0.70 -0.12 0.25 -1.14 0.00 0.00 176.83 176.55 3gg9 h LEU 142 N 1.07 0.57 -1.25 5.07 5.85 -1.12 0.48 115.31 125.98 3gg9 h LEU 142 Ca 0.28 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gg9 h LEU 142 Cb -0.07 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 3gg9 h LEU 142 CO -0.06 0.73 -0.14 0.11 -0.34 0.00 0.00 178.44 178.74 3gg9 h LYS 143 N 0.54 0.00 -0.63 1.25 1.57 -1.32 -1.86 116.57 116.13 3gg9 h LYS 143 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3gg9 h LYS 143 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3gg9 h LYS 143 CO 0.03 0.14 0.00 0.72 -0.57 0.00 0.00 179.45 179.77 3gg9 n HIS 144 N -3.30 1.03 -0.47 -1.35 8.25 -0.87 -4.95 115.22 113.56 3gg9 n HIS 144 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 3gg9 n HIS 144 Cb 0.38 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3gg9 n HIS 144 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gg9 n GLY 145 N 1.26 0.74 3.59 -1.41 0.00 -0.70 -5.04 105.19 103.64 3gg9 n GLY 145 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3gg9 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gg9 s ALA 146 N -2.93 3.52 -0.12 4.61 0.00 0.10 -4.95 121.76 121.99 3gg9 s ALA 146 Ca 0.00 -0.80 -0.27 0.00 0.00 0.00 0.00 51.96 50.90 3gg9 s ALA 146 Cb 0.00 -2.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.11 3gg9 s ALA 146 CO 0.00 -1.03 0.88 -0.46 0.00 0.00 0.00 175.76 175.15 3gg9 s TRP 147 N 2.42 3.49 -1.24 0.00 -0.11 -1.26 -3.02 118.94 119.23 3gg9 s TRP 147 Ca 0.21 1.40 -0.06 0.00 1.22 0.00 0.00 56.10 58.87 3gg9 s TRP 147 Cb -0.15 -3.05 -0.01 0.00 -1.50 0.00 0.00 33.47 28.76 3gg9 s TRP 147 CO 0.12 -0.17 0.74 0.94 -4.62 0.00 0.00 176.95 173.96 3gg9 n GLN 148 N 4.83 -3.67 -4.04 5.86 7.27 -1.26 -5.01 117.38 121.36 3gg9 n GLN 148 Ca 0.05 0.61 -0.24 0.00 0.07 0.00 0.00 57.00 57.49 3gg9 n GLN 148 Cb 0.49 -5.00 -0.17 0.00 2.41 0.00 0.00 30.24 27.97 3gg9 n GLN 148 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3gg9 s GLN 149 N -5.78 1.17 0.00 3.69 -1.52 -1.26 -5.02 119.66 110.93 3gg9 s GLN 149 Ca 0.17 -0.16 0.05 0.00 -1.95 0.00 0.00 55.36 53.47 3gg9 s GLN 149 Cb -0.05 -1.23 0.10 0.00 -0.22 0.00 0.00 33.01 31.61 3gg9 s GLN 149 CO 0.82 -0.18 0.94 -1.13 -0.25 0.00 0.00 175.29 175.48 3gg9 n SER 150 N 4.60 2.04 0.00 5.90 3.41 -1.26 -4.26 113.62 124.05 3gg9 n SER 150 Ca -0.16 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3gg9 n SER 150 Cb 0.50 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3gg9 n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gg9 n GLY 151 N 0.10 1.80 2.41 5.00 0.00 -1.26 -4.76 105.19 108.48 3gg9 n GLY 151 Ca 0.04 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 3gg9 n GLY 151 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gg9 n LEU 152 N 0.00 -1.89 -1.17 0.99 4.77 -1.26 -4.39 117.00 114.05 3gg9 n LEU 152 Ca 0.00 0.03 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 3gg9 n LEU 152 Cb 0.00 -2.91 0.29 0.00 -2.33 0.00 0.00 43.42 38.47 3gg9 n LEU 152 CO 0.00 -0.27 0.75 2.29 -1.33 0.00 0.00 177.39 178.83 3gg9 n LYS 153 N -2.96 3.47 -1.81 3.23 2.85 -1.26 -3.87 118.16 117.80 3gg9 n LYS 153 Ca -0.24 -2.83 -0.37 0.00 -1.05 0.00 0.00 58.31 53.82 3gg9 n LYS 153 Cb 0.68 -1.88 0.06 0.00 -0.65 0.00 0.00 35.03 33.24 3gg9 n LYS 153 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3gg9 s SER 154 N -1.44 4.77 0.50 -5.58 0.15 -1.26 -4.93 113.70 105.91 3gg9 s SER 154 Ca 0.44 2.57 0.26 0.00 0.70 0.00 0.00 55.95 59.92 3gg9 s SER 154 Cb 0.33 -2.61 1.31 0.00 -1.71 0.00 0.00 66.02 63.34 3gg9 s SER 154 CO 0.13 -1.89 2.01 0.71 1.20 0.00 0.00 173.24 175.41 3gg9 h THR 155 N 0.67 0.61 0.00 6.45 1.35 -1.97 -2.06 112.91 117.96 3gg9 h THR 155 Ca -0.51 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3gg9 h THR 155 Cb 1.33 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3gg9 h THR 155 CO 0.54 0.15 0.00 0.71 -0.25 0.00 0.00 175.52 176.67 3gg9 h THR 156 N 0.00 0.00 -3.19 6.82 1.35 -2.00 -3.46 112.91 112.44 3gg9 h THR 156 Ca -0.00 -0.59 -0.52 0.00 -0.55 0.00 0.00 66.41 64.75 3gg9 h THR 156 Cb 0.42 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 3gg9 h THR 156 CO 0.02 0.00 -0.14 -0.04 -0.25 0.00 0.00 175.52 175.10 3gg9 s MET 157 N -3.38 3.63 0.76 4.72 1.00 -0.78 -4.96 119.30 120.29 3gg9 s MET 157 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 55.69 55.58 3gg9 s MET 157 Cb 0.08 -2.65 0.03 0.00 0.00 0.00 0.00 34.83 32.29 3gg9 s MET 157 CO 0.56 0.21 1.02 -2.30 0.00 0.00 0.00 175.02 174.51 3gg9 n PRO 158 N -0.96 0.40 -1.72 2.03 -0.02 -1.26 -4.89 135.00 128.57 3gg9 n PRO 158 Ca -0.02 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 3gg9 n PRO 158 Cb 0.54 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 3gg9 n PRO 158 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3gg9 n PRO 159 N -2.25 2.69 -2.31 0.52 -0.04 -1.26 -2.65 135.00 129.70 3gg9 n PRO 159 Ca 0.13 0.96 -0.19 0.00 -0.04 0.00 0.00 63.50 64.37 3gg9 n PRO 159 Cb 0.50 -2.77 -0.01 0.00 -0.04 0.00 0.00 33.50 31.17 3gg9 n PRO 159 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3gg9 n ASN 160 N 3.13 -5.38 0.28 3.54 3.02 -1.26 -4.88 115.26 113.70 3gg9 n ASN 160 Ca 0.13 0.01 0.17 0.00 -0.03 0.00 0.00 54.58 54.85 3gg9 n ASN 160 Cb 0.35 -4.44 0.72 0.00 -0.61 0.00 0.00 39.78 35.80 3gg9 n ASN 160 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gg9 h PHE 161 N 0.00 0.00 0.00 3.10 3.57 -1.72 -2.34 116.94 119.56 3gg9 h PHE 161 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3gg9 h PHE 161 Cb 1.32 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.06 3gg9 h PHE 161 CO 0.50 0.04 0.00 0.41 -2.23 0.00 0.00 178.31 177.03 3gg9 n GLY 162 N -0.13 -1.43 3.92 2.40 0.00 -1.25 -4.81 105.19 103.89 3gg9 n GLY 162 Ca -0.00 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 3gg9 n GLY 162 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gg9 s ILE 163 N -3.17 5.15 0.84 -0.61 -4.36 -0.88 -4.66 121.20 113.51 3gg9 s ILE 163 Ca 0.08 -0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 60.13 3gg9 s ILE 163 Cb 0.11 -3.72 0.09 0.00 1.25 0.00 0.00 42.46 40.20 3gg9 s ILE 163 CO 0.47 -0.19 1.13 0.61 0.24 0.00 0.00 174.94 177.21 3gg9 n GLY 164 N -0.65 -0.23 3.12 6.27 0.00 -1.26 -4.94 105.19 107.49 3gg9 n GLY 164 Ca -0.04 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 3gg9 n GLY 164 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 s ARG 165 N -4.18 1.58 0.37 1.61 0.52 -0.11 -5.01 118.95 113.73 3gg9 s ARG 165 Ca 0.71 -0.57 -0.23 0.00 -0.52 0.00 0.00 55.73 55.12 3gg9 s ARG 165 Cb -0.27 -1.42 -0.10 0.00 0.52 0.00 0.00 34.95 33.68 3gg9 s ARG 165 CO 0.53 0.26 0.94 0.54 0.02 0.00 0.00 175.30 177.59 3gg9 s VAL 166 N -0.04 4.31 -0.07 3.52 0.11 -1.26 -4.62 120.40 122.34 3gg9 s VAL 166 Ca -0.01 1.65 -0.13 0.00 -2.93 0.00 0.00 61.98 60.55 3gg9 s VAL 166 Cb -0.10 -3.82 -0.29 0.00 -1.53 0.00 0.00 36.38 30.64 3gg9 s VAL 166 CO 0.01 -0.06 0.63 -0.07 -3.33 0.00 0.00 175.10 172.28 3gg9 h LEU 167 N 2.62 0.52 -9.11 2.54 3.38 -1.98 -3.45 115.31 109.84 3gg9 h LEU 167 Ca -0.48 -0.91 -0.78 0.00 0.09 0.00 0.00 57.88 55.81 3gg9 h LEU 167 Cb 1.19 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.79 3gg9 h LEU 167 CO 0.63 1.71 0.65 1.17 0.09 0.00 0.00 178.44 182.69 3gg9 n LYS 168 N -3.74 0.66 -0.75 1.13 4.81 -1.24 -1.00 118.16 118.03 3gg9 n LYS 168 Ca -0.25 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3gg9 n LYS 168 Cb 1.00 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 34.21 3gg9 n LYS 168 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gg9 n GLY 169 N 3.48 0.91 3.95 3.14 0.00 0.70 -4.93 105.19 112.45 3gg9 n GLY 169 Ca 0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 3gg9 n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gg9 s GLN 170 N -0.24 2.86 -0.26 1.61 -1.52 -0.17 -4.69 119.66 117.25 3gg9 s GLN 170 Ca 0.00 -0.53 -0.14 0.00 -1.95 0.00 0.00 55.36 52.74 3gg9 s GLN 170 Cb 0.00 -2.50 -0.04 0.00 -0.22 0.00 0.00 33.01 30.25 3gg9 s GLN 170 CO 0.00 -0.48 0.32 0.99 -0.25 0.00 0.00 175.29 175.87 3gg9 s THR 171 N -2.68 5.22 -0.36 -0.19 2.01 -1.26 0.14 115.64 118.52 3gg9 s THR 171 Ca 0.52 0.48 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 3gg9 s THR 171 Cb -0.10 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3gg9 s THR 171 CO 0.39 0.21 0.26 -0.22 -0.69 0.00 0.00 174.62 174.57 3gg9 s LEU 172 N 1.79 4.70 -0.15 4.42 2.96 0.25 0.55 118.68 133.20 3gg9 s LEU 172 Ca 0.13 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 3gg9 s LEU 172 Cb -0.15 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3gg9 s LEU 172 CO 0.09 -0.31 0.63 -0.83 -1.32 0.00 0.00 176.35 174.62 3gg9 s GLY 173 N 1.71 2.25 -0.32 7.98 0.00 0.98 -0.82 107.32 119.10 3gg9 s GLY 173 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.59 3gg9 s GLY 173 CO 0.10 1.20 0.06 -0.42 0.00 0.00 0.00 173.10 174.05 3gg9 s ILE 174 N 1.44 3.38 -0.74 0.90 -1.09 0.88 -0.53 121.20 125.43 3gg9 s ILE 174 Ca 0.31 -1.30 -0.18 0.00 -2.23 0.00 0.00 60.65 57.24 3gg9 s ILE 174 Cb -0.16 -2.94 0.13 0.00 -1.58 0.00 0.00 42.46 37.90 3gg9 s ILE 174 CO 0.12 -0.17 0.87 0.12 -1.23 0.00 0.00 174.94 174.66 3gg9 s PHE 175 N 1.32 3.13 0.00 3.97 5.99 -0.62 -0.86 117.98 130.91 3gg9 s PHE 175 Ca -0.03 -1.23 0.00 0.00 0.00 0.00 0.00 56.93 55.67 3gg9 s PHE 175 Cb -0.20 -4.09 0.00 0.00 0.00 0.00 0.00 43.02 38.73 3gg9 s PHE 175 CO 0.01 -1.34 0.00 0.41 -0.00 0.00 0.00 175.22 174.30 3gg9 n GLY 176 N 5.12 2.58 2.65 13.12 0.00 0.02 -0.63 105.19 128.06 3gg9 n GLY 176 Ca 0.05 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 3gg9 n GLY 176 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3gg9 n TYR 177 N 1.51 3.11 -0.48 1.61 9.36 -1.26 -4.35 117.16 126.66 3gg9 n TYR 177 Ca 0.00 -3.49 0.00 0.00 3.32 0.00 0.00 57.90 57.73 3gg9 n TYR 177 Cb 0.00 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 3gg9 n TYR 177 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3gg9 n GLY 178 N -0.27 -0.32 0.32 2.98 0.00 -1.26 -4.68 105.19 101.96 3gg9 n GLY 178 Ca 0.31 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 3gg9 n GLY 178 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 h LYS 179 N 0.00 1.11 -0.16 1.61 1.57 -1.95 -1.93 116.57 116.82 3gg9 h LYS 179 Ca 0.00 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 3gg9 h LYS 179 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3gg9 h LYS 179 CO 0.00 0.77 -0.03 0.82 -0.57 0.00 0.00 179.45 180.44 3gg9 h ILE 180 N 1.12 1.28 -0.77 1.86 2.04 -1.94 -2.94 117.51 118.16 3gg9 h ILE 180 Ca 0.30 -0.96 0.07 0.00 1.00 0.00 0.00 64.86 65.27 3gg9 h ILE 180 Cb -0.06 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3gg9 h ILE 180 CO -0.06 0.29 0.50 1.23 0.00 0.00 0.00 178.15 180.11 3gg9 h GLY 181 N 0.02 1.03 0.96 5.37 0.00 -1.73 -1.98 103.07 106.74 3gg9 h GLY 181 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3gg9 h GLY 181 CO 0.01 0.22 -0.06 -1.61 0.00 0.00 0.00 176.54 175.10 3gg9 h GLN 182 N 0.78 0.74 -0.30 4.80 4.15 -1.33 0.52 115.11 124.47 3gg9 h GLN 182 Ca 0.34 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3gg9 h GLN 182 Cb 0.31 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3gg9 h GLN 182 CO -0.12 0.86 0.08 -0.07 -1.93 0.00 0.00 178.83 177.66 3gg9 h LEU 183 N 0.56 0.44 -0.76 -2.39 3.38 -1.27 -2.15 115.31 113.12 3gg9 h LEU 183 Ca 0.10 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 3gg9 h LEU 183 Cb 0.57 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3gg9 h LEU 183 CO 0.03 0.54 -0.20 0.58 0.09 0.00 0.00 178.44 179.49 3gg9 h VAL 184 N 0.32 1.27 -0.87 1.22 2.07 -1.28 -1.31 116.25 117.66 3gg9 h VAL 184 Ca 0.09 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.41 3gg9 h VAL 184 Cb 0.26 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3gg9 h VAL 184 CO -0.00 0.43 0.53 0.00 0.02 0.00 0.00 177.57 178.54 3gg9 h ALA 185 N 1.14 1.22 -0.60 1.67 0.00 -0.86 -2.12 119.26 119.71 3gg9 h ALA 185 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gg9 h ALA 185 Cb 0.69 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3gg9 h ALA 185 CO 0.05 0.22 0.34 0.78 0.00 0.00 0.00 179.25 180.63 3gg9 h GLY 186 N 0.92 0.89 0.89 0.00 0.00 -0.79 -1.93 103.07 103.05 3gg9 h GLY 186 Ca 0.40 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3gg9 h GLY 186 CO -0.21 0.38 0.38 -0.97 0.00 0.00 0.00 176.54 176.12 3gg9 h TYR 187 N 0.82 0.70 -0.20 5.60 0.99 -0.98 -1.25 116.97 122.65 3gg9 h TYR 187 Ca 0.21 0.02 0.04 0.00 2.00 0.00 0.00 58.73 61.00 3gg9 h TYR 187 Cb 0.03 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 37.49 3gg9 h TYR 187 CO -0.01 0.41 -0.04 0.78 -0.00 0.00 0.00 178.16 179.29 3gg9 h GLY 188 N 0.74 0.15 0.76 3.88 0.00 -1.16 -0.60 103.07 106.84 3gg9 h GLY 188 Ca 0.24 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.67 3gg9 h GLY 188 CO -0.10 -0.07 0.32 -0.09 0.00 0.00 0.00 176.54 176.61 3gg9 h ARG 189 N 0.01 0.60 0.00 4.80 2.43 -1.08 -1.28 114.38 119.86 3gg9 h ARG 189 Ca 0.10 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3gg9 h ARG 189 Cb 0.14 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3gg9 h ARG 189 CO -0.20 0.40 -0.20 0.00 -1.51 0.00 0.00 179.97 178.46 3gg9 h ALA 190 N 1.29 1.13 -0.02 2.80 0.00 -0.85 -1.17 119.26 122.44 3gg9 h ALA 190 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gg9 h ALA 190 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gg9 h ALA 190 CO -0.15 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.55 3gg9 n PHE 191 N -3.52 0.02 -1.70 0.00 3.72 -0.27 -4.93 117.46 110.79 3gg9 n PHE 191 Ca -0.01 -0.01 -0.03 0.00 -0.05 0.00 0.00 57.45 57.35 3gg9 n PHE 191 Cb 0.36 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 3gg9 n PHE 191 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gg9 n GLY 192 N 1.03 0.38 3.86 1.37 0.00 -0.44 -3.60 105.19 107.79 3gg9 n GLY 192 Ca 0.20 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3gg9 n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gg9 s MET 193 N -3.46 3.77 -0.66 1.61 -1.94 -0.54 -0.22 119.30 117.86 3gg9 s MET 193 Ca 0.00 0.70 -0.25 0.00 -1.71 0.00 0.00 55.69 54.43 3gg9 s MET 193 Cb 0.00 -2.21 0.04 0.00 2.01 0.00 0.00 34.83 34.68 3gg9 s MET 193 CO 0.00 -0.29 1.12 1.21 -0.01 0.00 0.00 175.02 177.04 3gg9 s ASN 194 N -3.52 6.23 -0.23 3.03 2.47 0.37 -4.57 114.94 118.74 3gg9 s ASN 194 Ca 0.55 -0.52 -0.17 0.00 0.42 0.00 0.00 52.86 53.14 3gg9 s ASN 194 Cb -0.10 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 3gg9 s ASN 194 CO 0.39 -1.57 0.46 -0.69 -3.72 0.00 0.00 177.10 171.97 3gg9 s VAL 195 N 4.83 5.14 -0.08 -5.21 1.01 -1.26 -0.58 120.40 124.24 3gg9 s VAL 195 Ca 0.31 0.79 0.05 0.00 0.00 0.00 0.00 61.98 63.14 3gg9 s VAL 195 Cb -0.11 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3gg9 s VAL 195 CO 0.16 0.17 -0.23 -0.76 0.00 0.00 0.00 175.10 174.44 3gg9 s LEU 196 N 1.79 2.16 0.00 3.92 1.43 0.00 -3.78 118.68 124.20 3gg9 s LEU 196 Ca 0.20 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 3gg9 s LEU 196 Cb -0.15 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3gg9 s LEU 196 CO 0.09 0.21 -0.12 -0.69 0.23 0.00 0.00 176.35 176.07 3gg9 s VAL 197 N 0.03 3.26 0.05 -1.59 1.01 -0.26 -0.08 120.40 122.82 3gg9 s VAL 197 Ca -0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 3gg9 s VAL 197 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3gg9 s VAL 197 CO 0.06 0.43 -0.04 0.86 0.00 0.00 0.00 175.10 176.41 3gg9 s TRP 198 N -0.91 0.49 -3.54 5.22 -0.00 -0.04 -0.77 118.94 119.38 3gg9 s TRP 198 Ca 0.15 -0.88 0.00 0.00 -0.00 0.00 0.00 56.10 55.37 3gg9 s TRP 198 Cb -0.11 -0.35 0.00 0.00 -0.00 0.00 0.00 33.47 33.02 3gg9 s TRP 198 CO 0.05 -0.29 0.00 0.41 -0.00 0.00 0.00 176.95 177.12 3gg9 n GLY 199 N 0.58 -0.79 3.60 5.86 0.00 -1.26 -0.80 105.19 112.38 3gg9 n GLY 199 Ca -0.17 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3gg9 n GLY 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 s ARG 200 N -1.42 0.22 0.23 1.61 0.52 -1.26 -4.71 118.95 114.14 3gg9 s ARG 200 Ca 0.00 1.10 -0.08 0.00 -0.52 0.00 0.00 55.73 56.24 3gg9 s ARG 200 Cb 0.00 -1.67 0.37 0.00 0.52 0.00 0.00 34.95 34.17 3gg9 s ARG 200 CO 0.00 -3.03 1.69 1.49 0.02 0.00 0.00 175.30 175.47 3gg9 h GLU 201 N -2.14 0.25 -0.06 3.54 4.57 -2.00 -2.21 114.58 116.53 3gg9 h GLU 201 Ca -0.52 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 57.53 3gg9 h GLU 201 Cb 1.30 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 3gg9 h GLU 201 CO 0.48 0.17 -0.45 -0.91 -1.18 0.00 0.00 179.01 177.11 3gg9 h ASN 202 N 0.26 0.15 -0.43 1.04 -0.26 -1.99 -1.64 115.58 112.70 3gg9 h ASN 202 Ca 0.36 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 56.04 3gg9 h ASN 202 Cb 0.58 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.77 3gg9 h ASN 202 CO -0.46 0.58 0.28 0.28 -1.06 0.00 0.00 177.43 177.05 3gg9 h SER 203 N 0.11 0.49 -0.90 5.81 0.02 -1.74 -1.86 113.55 115.49 3gg9 h SER 203 Ca 0.01 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3gg9 h SER 203 Cb 0.85 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3gg9 h SER 203 CO 0.06 0.36 0.59 0.11 -1.14 0.00 0.00 176.83 176.82 3gg9 h LYS 204 N 0.58 1.13 -0.24 3.45 1.57 -1.03 -0.34 116.57 121.70 3gg9 h LYS 204 Ca 0.16 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 3gg9 h LYS 204 Cb -0.06 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 3gg9 h LYS 204 CO -0.03 0.75 -0.17 0.93 -0.57 0.00 0.00 179.45 180.36 3gg9 h GLU 205 N 1.17 0.53 -0.53 3.15 5.08 -1.00 -1.18 114.58 121.80 3gg9 h GLU 205 Ca 0.34 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 3gg9 h GLU 205 Cb -0.06 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3gg9 h GLU 205 CO -0.09 0.82 -0.03 0.00 -1.00 0.00 0.00 179.01 178.71 3gg9 h ARG 206 N 0.23 0.92 -0.06 2.33 3.08 -1.19 -1.70 114.38 118.00 3gg9 h ARG 206 Ca 0.05 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 3gg9 h ARG 206 Cb 0.69 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 3gg9 h ARG 206 CO 0.04 0.93 0.03 0.00 -1.07 0.00 0.00 179.97 179.90 3gg9 h ALA 207 N 1.11 0.07 -0.80 0.04 0.00 -0.87 -1.90 119.26 116.91 3gg9 h ALA 207 Ca 0.15 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gg9 h ALA 207 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 3gg9 h ALA 207 CO 0.03 -0.37 0.52 0.00 0.00 0.00 0.00 179.25 179.44 3gg9 h ARG 208 N -0.04 0.92 -0.02 0.00 3.08 -1.12 -0.35 114.38 116.86 3gg9 h ARG 208 Ca 0.02 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 3gg9 h ARG 208 Cb 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 3gg9 h ARG 208 CO -0.00 0.61 -0.45 0.00 -1.07 0.00 0.00 179.97 179.06 3gg9 h ALA 209 N 1.54 1.22 -0.03 0.04 0.00 -1.19 -2.70 119.26 118.15 3gg9 h ALA 209 Ca 0.32 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gg9 h ALA 209 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gg9 h ALA 209 CO -0.10 0.57 0.00 -0.25 0.00 0.00 0.00 179.25 179.47 3gg9 n ASP 210 N -4.01 0.87 0.00 0.00 8.00 -0.73 -4.92 116.55 115.77 3gg9 n ASP 210 Ca -0.02 -1.36 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3gg9 n ASP 210 Cb 0.48 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 3gg9 n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gg9 n GLY 211 N 1.07 0.64 3.84 0.44 0.00 -0.98 -5.05 105.19 105.15 3gg9 n GLY 211 Ca 0.20 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 3gg9 n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gg9 s PHE 212 N -2.00 3.70 0.39 1.61 0.40 -0.21 -5.00 117.98 116.87 3gg9 s PHE 212 Ca 0.00 0.93 -0.26 0.00 -0.60 0.00 0.00 56.93 57.00 3gg9 s PHE 212 Cb 0.00 -2.24 -0.09 0.00 0.51 0.00 0.00 43.02 41.20 3gg9 s PHE 212 CO 0.00 0.63 1.22 0.00 0.70 0.00 0.00 175.22 177.77 3gg9 s ALA 213 N -1.13 3.21 -0.14 5.36 0.00 -1.25 -3.68 121.76 124.13 3gg9 s ALA 213 Ca 0.25 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3gg9 s ALA 213 Cb -0.16 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 3gg9 s ALA 213 CO 0.13 -0.62 -0.02 0.08 0.00 0.00 0.00 175.76 175.34 3gg9 s VAL 214 N -1.34 4.09 0.59 0.00 1.01 -1.26 -1.10 120.40 122.39 3gg9 s VAL 214 Ca 0.56 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 3gg9 s VAL 214 Cb -0.34 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 3gg9 s VAL 214 CO 0.43 0.51 1.29 0.00 0.00 0.00 0.00 175.10 177.33 3gg9 s ALA 215 N 0.11 2.58 0.29 5.51 0.00 0.05 -4.84 121.76 125.46 3gg9 s ALA 215 Ca 0.00 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.17 3gg9 s ALA 215 Cb -0.13 -3.53 0.56 0.00 0.00 0.00 0.00 23.12 20.02 3gg9 s ALA 215 CO 0.02 -1.38 1.86 0.93 0.00 0.00 0.00 175.76 177.19 3gg9 h GLU 216 N 0.99 0.97 -3.05 0.00 5.08 -1.92 -3.45 114.58 113.18 3gg9 h GLU 216 Ca -0.51 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 57.85 3gg9 h GLU 216 Cb 1.31 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 3gg9 h GLU 216 CO 0.55 0.64 0.20 -1.54 -1.00 0.00 0.00 179.01 177.86 3gg9 s SER 217 N -5.77 -0.26 0.20 1.42 1.04 -1.26 -4.99 113.70 104.08 3gg9 s SER 217 Ca -0.12 -0.61 -0.11 0.00 0.48 0.00 0.00 55.95 55.60 3gg9 s SER 217 Cb 0.22 0.71 0.25 0.00 0.10 0.00 0.00 66.02 67.30 3gg9 s SER 217 CO 0.81 -1.31 1.73 0.50 0.98 0.00 0.00 173.24 175.94 3gg9 h LYS 218 N 2.02 0.31 -0.85 4.02 3.64 -1.99 -2.03 116.57 121.69 3gg9 h LYS 218 Ca -0.20 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.25 3gg9 h LYS 218 Cb 1.25 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 3gg9 h LYS 218 CO 0.25 0.20 0.50 0.22 -2.27 0.00 0.00 179.45 178.35 3gg9 h ASP 219 N 0.32 0.72 -0.23 4.20 3.58 -1.99 -2.26 116.42 120.76 3gg9 h ASP 219 Ca 0.29 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.73 3gg9 h ASP 219 Cb 0.38 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 3gg9 h ASP 219 CO -0.33 0.41 -0.02 0.00 -2.88 0.00 0.00 179.24 176.42 3gg9 h ALA 220 N 1.46 1.33 -0.44 -0.78 0.00 -1.77 -2.26 119.26 116.81 3gg9 h ALA 220 Ca 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3gg9 h ALA 220 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gg9 h ALA 220 CO -0.25 0.46 0.18 1.25 0.00 0.00 0.00 179.25 180.89 3gg9 h LEU 221 N 0.52 0.60 -0.46 0.00 5.85 -0.82 -1.97 115.31 119.03 3gg9 h LEU 221 Ca 0.11 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.49 3gg9 h LEU 221 Cb 0.36 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3gg9 h LEU 221 CO 0.01 0.60 -0.67 -0.26 -0.34 0.00 0.00 178.44 177.79 3gg9 h PHE 222 N 0.56 0.56 -0.34 1.25 -1.00 -1.35 -2.77 116.94 113.85 3gg9 h PHE 222 Ca 0.15 -0.23 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 3gg9 h PHE 222 Cb 0.19 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 3gg9 h PHE 222 CO 0.00 0.97 -0.08 0.93 -1.61 0.00 0.00 178.31 178.52 3gg9 h GLU 223 N 0.30 0.65 0.00 1.51 5.08 -1.37 -3.29 114.58 117.47 3gg9 h GLU 223 Ca -0.02 -0.25 -0.17 0.00 -1.00 0.00 0.00 59.36 57.92 3gg9 h GLU 223 Cb 1.23 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 3gg9 h GLU 223 CO 0.12 0.82 -1.33 1.96 -1.00 0.00 0.00 179.01 179.58 3gg9 h GLN 224 N 0.44 0.00 -6.64 2.33 4.20 -1.40 -3.39 115.11 110.64 3gg9 h GLN 224 Ca 0.09 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.28 3gg9 h GLN 224 Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.37 3gg9 h GLN 224 CO 0.03 0.34 0.54 -1.12 -0.67 0.00 0.00 178.83 177.96 3gg9 s SER 225 N -5.90 7.12 0.05 1.46 0.01 -1.05 -4.72 113.70 110.68 3gg9 s SER 225 Ca -0.02 2.18 0.06 0.00 1.31 0.00 0.00 55.95 59.49 3gg9 s SER 225 Cb 0.09 -2.60 -0.23 0.00 0.21 0.00 0.00 66.02 63.48 3gg9 s SER 225 CO 0.81 -0.35 1.04 0.44 0.41 0.00 0.00 173.24 175.58 3gg9 h ASP 226 N 5.38 0.08 -3.40 2.44 3.32 -0.26 -3.43 116.42 120.55 3gg9 h ASP 226 Ca -0.44 -0.11 -0.46 0.00 0.02 0.00 0.00 57.03 56.05 3gg9 h ASP 226 Cb 1.21 -0.03 -0.34 0.00 0.22 0.00 0.00 39.33 40.39 3gg9 h ASP 226 CO 0.75 1.09 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.88 3gg9 s VAL 227 N -2.66 0.76 -0.15 -1.35 1.01 -0.73 -1.00 120.40 116.28 3gg9 s VAL 227 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3gg9 s VAL 227 Cb 0.09 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3gg9 s VAL 227 CO 0.83 0.28 -0.17 -0.22 0.00 0.00 0.00 175.10 175.82 3gg9 s LEU 228 N 0.99 1.87 -0.07 3.92 0.20 0.28 -0.01 118.68 125.86 3gg9 s LEU 228 Ca -0.09 -0.54 0.05 0.00 0.69 0.00 0.00 54.13 54.24 3gg9 s LEU 228 Cb -0.14 -1.29 -0.01 0.00 -0.43 0.00 0.00 46.19 44.32 3gg9 s LEU 228 CO 0.00 -0.01 -0.24 -0.55 -0.29 0.00 0.00 176.35 175.26 3gg9 s SER 229 N 1.27 3.02 -0.26 3.68 0.15 0.31 -0.06 113.70 121.81 3gg9 s SER 229 Ca 0.02 -0.52 -0.14 0.00 0.70 0.00 0.00 55.95 56.01 3gg9 s SER 229 Cb -0.13 -1.06 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 3gg9 s SER 229 CO -0.09 0.20 0.33 -0.69 1.20 0.00 0.00 173.24 174.19 3gg9 s VAL 230 N 0.06 5.21 -0.53 4.45 1.01 -0.63 -1.59 120.40 128.39 3gg9 s VAL 230 Ca -0.10 0.48 0.07 0.00 0.00 0.00 0.00 61.98 62.43 3gg9 s VAL 230 Cb -0.15 -3.66 0.24 0.00 0.00 0.00 0.00 36.38 32.81 3gg9 s VAL 230 CO 0.06 0.19 0.62 1.41 0.00 0.00 0.00 175.10 177.38 3gg9 n HIS 231 N 5.16 1.73 -4.48 5.22 8.25 0.20 -4.17 115.22 127.13 3gg9 n HIS 231 Ca -0.10 -3.88 -0.24 0.00 -0.26 0.00 0.00 57.72 53.25 3gg9 n HIS 231 Cb 0.51 -0.43 -0.13 0.00 1.12 0.00 0.00 29.99 31.05 3gg9 n HIS 231 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3gg9 s LEU 232 N -1.74 2.20 0.37 2.41 1.43 -1.26 -4.39 118.68 117.70 3gg9 s LEU 232 Ca 0.37 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.69 3gg9 s LEU 232 Cb 0.14 -0.86 -0.10 0.00 0.03 0.00 0.00 46.19 45.40 3gg9 s LEU 232 CO -0.07 0.10 0.93 -0.13 0.23 0.00 0.00 176.35 177.41 3gg9 s ARG 233 N -1.35 4.39 -0.17 1.70 1.81 -1.26 -4.58 118.95 119.48 3gg9 s ARG 233 Ca 0.06 1.19 -0.24 0.00 -1.72 0.00 0.00 55.73 55.02 3gg9 s ARG 233 Cb -0.09 -2.50 -0.02 0.00 -0.45 0.00 0.00 34.95 31.89 3gg9 s ARG 233 CO 0.02 0.13 0.79 -1.17 -0.68 0.00 0.00 175.30 174.40 3gg9 s LEU 234 N -2.61 4.17 0.00 2.53 2.96 -1.26 -4.77 118.68 119.71 3gg9 s LEU 234 Ca 0.56 1.11 -0.09 0.00 -0.22 0.00 0.00 54.13 55.49 3gg9 s LEU 234 Cb -0.14 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.42 3gg9 s LEU 234 CO 0.18 -0.37 0.59 -0.46 -1.32 0.00 0.00 176.35 174.97 3gg9 n ASN 235 N 5.17 -1.69 0.26 3.68 0.23 -1.26 -5.01 115.26 116.65 3gg9 n ASN 235 Ca 0.03 -2.45 0.10 0.00 -0.53 0.00 0.00 54.58 51.72 3gg9 n ASN 235 Cb 0.49 2.89 0.68 0.00 -2.08 0.00 0.00 39.78 41.76 3gg9 n ASN 235 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3gg9 h ASP 236 N 1.69 0.00 0.21 0.53 3.45 -1.95 -0.00 116.42 120.35 3gg9 h ASP 236 Ca -0.27 0.00 -0.18 0.00 0.43 0.00 0.00 57.03 57.02 3gg9 h ASP 236 Cb 1.04 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 3gg9 h ASP 236 CO 0.35 0.05 -0.68 -0.33 -1.57 0.00 0.00 179.24 177.06 3gg9 h GLU 237 N 0.00 0.43 -0.00 3.56 3.07 -1.96 -3.36 114.58 116.32 3gg9 h GLU 237 Ca -0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 3gg9 h GLU 237 Cb 0.11 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 3gg9 h GLU 237 CO 0.01 0.96 -0.77 0.25 -1.40 0.00 0.00 179.01 178.05 3gg9 n THR 238 N -3.87 0.00 -1.74 1.13 -2.24 -0.63 -4.79 114.28 102.15 3gg9 n THR 238 Ca -0.04 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3gg9 n THR 238 Cb 0.68 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.88 3gg9 n THR 238 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gg9 s ARG 239 N -2.55 4.14 -1.80 -0.78 3.52 -0.11 -2.12 118.95 119.25 3gg9 s ARG 239 Ca 0.06 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 3gg9 s ARG 239 Cb 0.13 -3.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3gg9 s ARG 239 CO 0.67 -0.81 0.00 0.43 -0.81 0.00 0.00 175.30 174.78 3gg9 n SER 240 N 5.28 -5.54 0.29 -2.12 7.64 -0.23 -4.88 113.62 114.05 3gg9 n SER 240 Ca 0.17 0.14 0.18 0.00 1.01 0.00 0.00 58.87 60.37 3gg9 n SER 240 Cb 0.38 -4.63 0.76 0.00 -1.01 0.00 0.00 64.21 59.70 3gg9 n SER 240 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3gg9 h ILE 241 N 0.00 0.03 -3.51 0.44 2.10 -0.74 -3.39 117.51 112.44 3gg9 h ILE 241 Ca -0.45 -0.46 -0.65 0.00 1.08 0.00 0.00 64.86 64.38 3gg9 h ILE 241 Cb 1.32 1.44 -0.25 0.00 -1.09 0.00 0.00 36.82 38.25 3gg9 h ILE 241 CO 0.56 0.01 -0.67 -0.63 -1.08 0.00 0.00 178.15 176.34 3gg9 s ILE 242 N -3.75 3.85 0.44 2.19 1.01 -0.68 -5.03 121.20 119.24 3gg9 s ILE 242 Ca 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.40 3gg9 s ILE 242 Cb 0.10 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.79 3gg9 s ILE 242 CO 0.53 0.39 0.42 0.42 0.00 0.00 0.00 174.94 176.69 3gg9 s THR 243 N 1.47 2.50 0.41 2.92 -4.23 -1.26 -0.92 115.64 116.53 3gg9 s THR 243 Ca 0.05 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3gg9 s THR 243 Cb -0.15 -2.83 0.25 0.00 1.34 0.00 0.00 72.50 71.12 3gg9 s THR 243 CO 0.00 0.00 2.05 0.58 -0.54 0.00 0.00 174.62 176.71 3gg9 h VAL 244 N 0.92 1.10 -0.57 2.29 2.07 -1.92 -2.24 116.25 117.90 3gg9 h VAL 244 Ca -0.40 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 3gg9 h VAL 244 Cb 1.27 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3gg9 h VAL 244 CO 0.56 0.11 0.24 0.00 0.02 0.00 0.00 177.57 178.50 3gg9 h ALA 245 N 1.75 0.73 0.20 1.67 0.00 -1.96 0.12 119.26 121.77 3gg9 h ALA 245 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gg9 h ALA 245 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gg9 h ALA 245 CO -0.02 0.33 -0.10 -0.44 0.00 0.00 0.00 179.25 179.01 3gg9 h ASP 246 N 0.77 -0.23 -0.90 0.00 3.45 -1.87 -2.73 116.42 114.91 3gg9 h ASP 246 Ca 0.19 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 3gg9 h ASP 246 Cb 0.17 0.06 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 3gg9 h ASP 246 CO -0.02 -0.15 0.48 -0.07 -1.57 0.00 0.00 179.24 177.92 3gg9 h LEU 247 N -0.29 1.13 0.00 1.55 3.38 -1.29 -2.66 115.31 117.13 3gg9 h LEU 247 Ca -0.03 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3gg9 h LEU 247 Cb 0.22 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3gg9 h LEU 247 CO 0.05 0.91 0.00 0.35 0.09 0.00 0.00 178.44 179.83 3gg9 n THR 248 N -4.32 0.16 0.39 0.22 -2.24 0.02 -1.66 114.28 106.85 3gg9 n THR 248 Ca 0.09 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 3gg9 n THR 248 Cb 0.10 -0.65 0.26 0.00 -2.10 0.00 0.00 70.33 67.94 3gg9 n THR 248 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3gg9 h ARG 249 N 0.00 0.00 -7.17 -0.78 3.08 -1.15 -3.47 114.38 104.89 3gg9 h ARG 249 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3gg9 h ARG 249 Cb 0.14 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.32 3gg9 h ARG 249 CO 0.00 0.00 0.40 -1.64 -1.07 0.00 0.00 179.97 177.66 3gg9 s MET 250 N -3.17 2.44 0.67 0.04 -1.94 -0.67 -4.21 119.30 112.46 3gg9 s MET 250 Ca 0.08 1.67 -0.17 0.00 -1.71 0.00 0.00 55.69 55.56 3gg9 s MET 250 Cb 0.08 -1.88 -0.00 0.00 2.01 0.00 0.00 34.83 35.04 3gg9 s MET 250 CO 0.65 -1.58 1.26 1.63 -0.01 0.00 0.00 175.02 176.96 3gg9 n LYS 251 N -2.47 0.97 0.30 2.03 5.02 -1.26 -4.64 118.16 118.13 3gg9 n LYS 251 Ca 0.13 0.39 0.20 0.00 -2.02 0.00 0.00 58.31 57.01 3gg9 n LYS 251 Cb 0.51 -2.49 1.06 0.00 -0.02 0.00 0.00 35.03 34.08 3gg9 n LYS 251 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3gg9 h PRO 252 N 0.33 0.00 -0.17 1.97 0.11 -1.93 -2.54 132.00 129.77 3gg9 h PRO 252 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gg9 h PRO 252 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3gg9 h PRO 252 CO 0.52 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 3gg9 n THR 253 N -2.96 0.23 -2.64 -1.15 -2.24 -1.26 -3.10 114.28 101.16 3gg9 n THR 253 Ca -0.02 -0.61 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 3gg9 n THR 253 Cb 0.10 1.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.51 3gg9 n THR 253 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gg9 s ALA 254 N -1.61 3.06 -0.21 6.98 0.00 -0.96 -4.74 121.76 124.27 3gg9 s ALA 254 Ca 0.30 0.59 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 3gg9 s ALA 254 Cb 0.19 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 20.05 3gg9 s ALA 254 CO 0.28 -0.10 0.03 -1.17 0.00 0.00 0.00 175.76 174.80 3gg9 s LEU 255 N -2.81 3.40 -0.26 0.00 2.96 -0.17 -1.26 118.68 120.55 3gg9 s LEU 255 Ca 0.59 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 3gg9 s LEU 255 Cb -0.18 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3gg9 s LEU 255 CO 0.23 0.05 0.20 0.12 -1.32 0.00 0.00 176.35 175.63 3gg9 s PHE 256 N 1.07 3.27 -0.12 5.38 5.36 0.13 -0.55 117.98 132.52 3gg9 s PHE 256 Ca 0.03 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 3gg9 s PHE 256 Cb -0.14 -2.35 -0.01 0.00 -0.34 0.00 0.00 43.02 40.18 3gg9 s PHE 256 CO 0.02 -0.05 -0.14 0.08 -1.46 0.00 0.00 175.22 173.68 3gg9 s VAL 257 N 1.42 3.00 -0.28 3.12 1.01 0.91 -0.96 120.40 128.62 3gg9 s VAL 257 Ca 0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3gg9 s VAL 257 Cb -0.15 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.08 3gg9 s VAL 257 CO 0.08 0.53 0.12 0.21 0.00 0.00 0.00 175.10 176.03 3gg9 s ASN 258 N 0.28 3.57 -0.18 3.32 2.47 -0.59 -1.60 114.94 122.21 3gg9 s ASN 258 Ca -0.10 -1.32 0.16 0.00 0.42 0.00 0.00 52.86 52.02 3gg9 s ASN 258 Cb -0.16 -0.49 0.63 0.00 -1.45 0.00 0.00 41.25 39.78 3gg9 s ASN 258 CO 0.06 -0.42 1.53 0.35 -3.72 0.00 0.00 177.10 174.90 3gg9 n THR 259 N 5.14 2.31 0.00 -5.21 -2.24 -1.26 -1.94 114.28 111.08 3gg9 n THR 259 Ca -0.05 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.12 3gg9 n THR 259 Cb 0.43 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3gg9 n THR 259 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gg9 n SER 260 N 0.06 0.00 -3.85 3.42 7.64 -1.26 -4.89 113.62 114.75 3gg9 n SER 260 Ca 0.23 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.99 3gg9 n SER 260 Cb 0.96 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.03 3gg9 n SER 260 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3gg9 s ARG 261 N 0.00 0.14 0.40 1.43 1.81 -1.26 -4.93 118.95 116.54 3gg9 s ARG 261 Ca 0.00 0.05 0.08 0.00 -1.72 0.00 0.00 55.73 54.14 3gg9 s ARG 261 Cb 0.00 0.06 0.82 0.00 -0.45 0.00 0.00 34.95 35.39 3gg9 s ARG 261 CO 0.00 -0.02 1.98 0.00 -0.68 0.00 0.00 175.30 176.58 3gg9 h ALA 262 N 5.82 1.60 0.00 2.13 0.00 -1.83 -3.01 119.26 123.97 3gg9 h ALA 262 Ca -0.25 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gg9 h ALA 262 Cb 1.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gg9 h ALA 262 CO 0.45 0.30 0.00 0.39 0.00 0.00 0.00 179.25 180.39 3gg9 n GLU 263 N -4.38 0.54 0.26 0.00 4.71 -1.26 -2.23 120.64 118.29 3gg9 n GLU 263 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.26 3gg9 n GLU 263 Cb 0.17 -1.50 0.70 0.00 -1.01 0.00 0.00 31.44 29.79 3gg9 n GLU 263 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3gg9 h LEU 264 N 0.00 0.00 -9.50 -4.62 3.38 -1.75 -0.59 115.31 102.22 3gg9 h LEU 264 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 3gg9 h LEU 264 Cb 0.23 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 3gg9 h LEU 264 CO 0.00 0.04 -0.48 -0.69 0.09 0.00 0.00 178.44 177.39 3gg9 s VAL 265 N -4.84 5.47 0.45 1.22 1.01 -0.95 -1.57 120.40 121.19 3gg9 s VAL 265 Ca -0.05 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 3gg9 s VAL 265 Cb 0.16 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 3gg9 s VAL 265 CO 0.64 0.55 0.98 -1.84 0.00 0.00 0.00 175.10 175.43 3gg9 n GLU 266 N 2.55 1.26 -1.63 2.72 0.28 -0.10 -4.61 120.64 121.11 3gg9 n GLU 266 Ca -0.18 0.46 -0.50 0.00 -0.16 0.00 0.00 57.16 56.77 3gg9 n GLU 266 Cb 0.54 -2.04 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 3gg9 n GLU 266 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3gg9 n GLU 267 N 0.01 1.57 -0.75 3.44 2.13 -1.26 -0.30 120.64 125.48 3gg9 n GLU 267 Ca 0.10 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.49 3gg9 n GLU 267 Cb 0.40 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.85 3gg9 n GLU 267 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gg9 n ASN 268 N 3.11 -3.10 -0.24 4.31 3.02 -1.26 -4.86 115.26 116.24 3gg9 n ASN 268 Ca 0.18 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.68 3gg9 n ASN 268 Cb 0.23 -2.99 0.05 0.00 -0.61 0.00 0.00 39.78 36.46 3gg9 n ASN 268 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3gg9 h GLY 269 N 0.00 0.95 0.82 7.41 0.00 -0.98 -1.28 103.07 109.98 3gg9 h GLY 269 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3gg9 h GLY 269 CO 0.00 0.35 -0.06 1.98 0.00 0.00 0.00 176.54 178.80 3gg9 h MET 270 N 0.91 -0.17 -0.48 4.80 1.85 -1.89 0.44 114.93 120.39 3gg9 h MET 270 Ca 0.25 0.01 0.08 0.00 -0.61 0.00 0.00 59.70 59.43 3gg9 h MET 270 Cb -0.11 0.04 -0.06 0.00 0.43 0.00 0.00 31.60 31.90 3gg9 h MET 270 CO -0.05 0.05 0.12 0.28 -0.40 0.00 0.00 176.91 176.90 3gg9 h VAL 271 N -0.36 0.76 -0.13 -5.77 2.07 -1.94 0.38 116.25 111.27 3gg9 h VAL 271 Ca -0.02 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3gg9 h VAL 271 Cb 0.29 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3gg9 h VAL 271 CO 0.03 0.05 -0.03 0.74 0.02 0.00 0.00 177.57 178.37 3gg9 h THR 272 N 0.26 0.86 -0.56 2.57 2.02 -1.09 -0.68 112.91 116.29 3gg9 h THR 272 Ca 0.24 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.34 3gg9 h THR 272 Cb 0.30 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3gg9 h THR 272 CO -0.29 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.63 3gg9 h ALA 273 N 1.13 0.76 -0.83 6.16 0.00 -0.50 -2.25 119.26 123.73 3gg9 h ALA 273 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3gg9 h ALA 273 Cb 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3gg9 h ALA 273 CO -0.14 0.55 0.49 -0.07 0.00 0.00 0.00 179.25 180.09 3gg9 h LEU 274 N 0.86 1.00 -2.15 0.00 3.38 -0.65 -1.35 115.31 116.39 3gg9 h LEU 274 Ca 0.16 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3gg9 h LEU 274 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gg9 h LEU 274 CO 0.02 0.77 -0.02 0.78 0.09 0.00 0.00 178.44 180.08 3gg9 h ASN 275 N 1.14 0.00 0.13 -0.43 2.35 -0.84 -1.93 115.58 115.99 3gg9 h ASN 275 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3gg9 h ASN 275 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3gg9 h ASN 275 CO -0.05 0.02 -0.35 0.54 -1.65 0.00 0.00 177.43 175.94 3gg9 n ARG 276 N -3.18 0.99 -0.28 0.81 1.74 -0.59 -4.97 116.66 111.17 3gg9 n ARG 276 Ca -0.01 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 3gg9 n ARG 276 Cb 0.20 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3gg9 n ARG 276 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gg9 n GLY 277 N 1.37 0.66 2.76 -0.13 0.00 -0.73 -5.04 105.19 104.09 3gg9 n GLY 277 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3gg9 n GLY 277 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gg9 s ARG 278 N -0.72 0.61 1.05 1.61 0.52 -1.12 -3.93 118.95 116.97 3gg9 s ARG 278 Ca 0.00 -0.05 -0.14 0.00 -0.52 0.00 0.00 55.73 55.02 3gg9 s ARG 278 Cb 0.00 -1.33 0.21 0.00 0.52 0.00 0.00 34.95 34.36 3gg9 s ARG 278 CO 0.00 -0.41 1.10 -1.25 0.02 0.00 0.00 175.30 174.76 3gg9 s PRO 279 N 1.95 0.01 0.23 3.54 0.04 -1.20 -3.75 135.00 135.81 3gg9 s PRO 279 Ca 0.03 0.33 0.12 0.00 0.04 0.00 0.00 61.00 61.53 3gg9 s PRO 279 Cb -0.14 -1.70 0.02 0.00 0.04 0.00 0.00 34.50 32.72 3gg9 s PRO 279 CO -0.06 -2.98 1.41 0.78 0.04 0.00 0.00 177.00 176.19 3gg9 h GLY 280 N -2.06 0.00 -4.26 0.56 0.00 -1.11 -3.42 103.07 92.78 3gg9 h GLY 280 Ca -0.52 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3gg9 h GLY 280 CO 0.52 0.00 -0.22 -0.29 0.00 0.00 0.00 176.54 176.56 3gg9 s MET 281 N -2.93 0.75 0.11 4.80 -2.45 -0.64 -4.87 119.30 114.07 3gg9 s MET 281 Ca 0.03 -0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.28 3gg9 s MET 281 Cb 0.09 0.33 -0.04 0.00 1.25 0.00 0.00 34.83 36.46 3gg9 s MET 281 CO 0.77 -0.22 -0.14 0.00 1.05 0.00 0.00 175.02 176.47 3gg9 s ALA 282 N -1.68 1.41 -0.08 4.11 0.00 -0.59 -0.69 121.76 124.23 3gg9 s ALA 282 Ca -0.11 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 3gg9 s ALA 282 Cb -0.03 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.03 3gg9 s ALA 282 CO 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 175.76 175.87 3gg9 s ALA 283 N -1.94 0.94 0.07 0.00 0.00 -0.13 -1.19 121.76 119.52 3gg9 s ALA 283 Ca 0.06 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.79 3gg9 s ALA 283 Cb -0.06 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.26 3gg9 s ALA 283 CO 0.03 -0.39 -0.13 0.96 0.00 0.00 0.00 175.76 176.23 3gg9 s ILE 284 N 1.75 1.03 0.00 0.00 -5.25 -0.15 -1.54 121.20 117.03 3gg9 s ILE 284 Ca 0.03 -1.33 0.00 0.00 -0.99 0.00 0.00 60.65 58.36 3gg9 s ILE 284 Cb -0.13 -1.06 0.00 0.00 2.95 0.00 0.00 42.46 44.22 3gg9 s ILE 284 CO -0.06 -0.29 0.38 -0.67 -1.79 0.00 0.00 174.94 172.52 3gg9 n ASP 285 N 1.20 0.77 -3.92 4.36 2.03 -0.82 -1.57 116.55 118.59 3gg9 n ASP 285 Ca -0.21 -0.95 -0.13 0.00 0.52 0.00 0.00 54.79 54.02 3gg9 n ASP 285 Cb 0.55 0.08 -0.14 0.00 -0.72 0.00 0.00 41.12 40.89 3gg9 n ASP 285 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gg9 s VAL 286 N -0.08 0.20 0.17 5.18 -7.23 -1.26 -0.87 120.40 116.52 3gg9 s VAL 286 Ca 0.00 -0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.02 3gg9 s VAL 286 Cb 0.00 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.70 3gg9 s VAL 286 CO 0.00 -0.01 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.28 3gg9 s PHE 287 N -0.23 1.58 0.27 2.82 0.08 -1.26 -4.48 117.98 116.75 3gg9 s PHE 287 Ca -0.01 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.44 3gg9 s PHE 287 Cb -0.02 -0.77 0.38 0.00 -0.57 0.00 0.00 43.02 42.04 3gg9 s PHE 287 CO -0.00 0.26 1.83 0.93 -0.10 0.00 0.00 175.22 178.14 3gg9 h GLU 288 N 2.91 0.88 -5.33 0.44 3.07 -1.99 -3.41 114.58 111.16 3gg9 h GLU 288 Ca -0.39 -0.17 -0.65 0.00 -0.50 0.00 0.00 59.36 57.65 3gg9 h GLU 288 Cb 1.21 -0.14 -0.33 0.00 -0.84 0.00 0.00 28.75 28.65 3gg9 h GLU 288 CO 0.58 0.77 -0.87 0.99 -1.40 0.00 0.00 179.01 179.08 3gg9 s THR 289 N -5.28 1.87 0.01 1.13 2.01 -1.26 -5.07 115.64 109.04 3gg9 s THR 289 Ca -0.10 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 60.98 3gg9 s THR 289 Cb 0.16 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3gg9 s THR 289 CO 0.80 0.52 -0.02 -1.61 -0.69 0.00 0.00 174.62 173.62 3gg9 s GLU 290 N 0.28 0.17 0.61 4.92 2.02 -1.26 -4.43 118.70 121.01 3gg9 s GLU 290 Ca -0.15 -0.20 -0.15 0.00 0.02 0.00 0.00 54.97 54.50 3gg9 s GLU 290 Cb -0.16 -0.07 -0.03 0.00 0.10 0.00 0.00 34.13 33.97 3gg9 s GLU 290 CO 0.07 0.01 1.05 -1.25 0.02 0.00 0.00 175.26 175.16 3gg9 s PRO 291 N -0.41 3.29 -0.50 0.39 0.04 -1.26 -5.07 135.00 131.48 3gg9 s PRO 291 Ca -0.03 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 61.97 3gg9 s PRO 291 Cb -0.03 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.56 3gg9 s PRO 291 CO -0.00 -0.83 0.48 0.42 0.04 0.00 0.00 177.00 177.11 3gg9 s ILE 292 N -2.59 5.13 -0.26 0.56 -1.09 -1.26 -4.88 121.20 116.82 3gg9 s ILE 292 Ca 0.62 -1.05 0.09 0.00 -2.23 0.00 0.00 60.65 58.07 3gg9 s ILE 292 Cb -0.15 -4.23 -0.11 0.00 -1.58 0.00 0.00 42.46 36.39 3gg9 s ILE 292 CO 0.40 -0.72 0.30 0.18 -1.23 0.00 0.00 174.94 173.87 3gg9 n LEU 293 N 5.47 0.25 -0.12 2.97 4.77 -1.26 -4.63 117.00 124.46 3gg9 n LEU 293 Ca -0.12 -0.32 0.07 0.00 -0.03 0.00 0.00 56.01 55.62 3gg9 n LEU 293 Cb 0.43 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.62 3gg9 n LEU 293 CO 0.51 0.06 0.50 0.00 -1.33 0.00 0.00 177.39 177.13 3gg9 n GLN 294 N -1.42 1.28 0.00 3.23 3.00 -1.26 -5.11 117.38 117.09 3gg9 n GLN 294 Ca 0.00 -2.14 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 3gg9 n GLN 294 Cb 0.17 -1.26 0.00 0.00 0.00 0.00 0.00 30.24 29.15 3gg9 n GLN 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3gg9 n GLY 295 N -1.06 -0.37 3.60 1.08 0.00 -1.26 -5.08 105.19 102.11 3gg9 n GLY 295 Ca 0.11 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 3gg9 n GLY 295 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gg9 s HIS 296 N -1.04 -0.42 0.25 1.61 2.46 -1.26 -4.99 115.29 111.90 3gg9 s HIS 296 Ca 0.00 0.88 -0.04 0.00 0.47 0.00 0.00 55.06 56.36 3gg9 s HIS 296 Cb 0.00 0.41 0.50 0.00 -0.13 0.00 0.00 32.58 33.36 3gg9 s HIS 296 CO 0.00 -0.29 1.67 1.15 -2.47 0.00 0.00 174.74 174.79 3gg9 h THR 297 N 3.05 0.44 0.00 0.89 2.02 -1.99 -1.30 112.91 116.02 3gg9 h THR 297 Ca -0.23 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3gg9 h THR 297 Cb 1.17 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3gg9 h THR 297 CO 0.22 0.04 -0.17 -0.07 0.37 0.00 0.00 175.52 175.91 3gg9 h LEU 298 N 0.22 0.00 -1.15 2.58 3.38 -1.97 -2.00 115.31 116.37 3gg9 h LEU 298 Ca 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.38 3gg9 h LEU 298 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 3gg9 h LEU 298 CO -0.57 0.17 -0.14 -0.07 0.09 0.00 0.00 178.44 177.92 3gg9 h LEU 299 N 0.00 0.00 -2.19 1.67 3.38 -1.59 -2.77 115.31 113.81 3gg9 h LEU 299 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gg9 h LEU 299 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gg9 h LEU 299 CO 0.02 0.14 0.00 0.54 0.09 0.00 0.00 178.44 179.24 3gg9 n ARG 300 N -3.28 2.42 -3.73 1.13 1.74 -0.76 -4.85 116.66 109.33 3gg9 n ARG 300 Ca 0.00 -2.13 -0.37 0.00 -0.77 0.00 0.00 57.85 54.59 3gg9 n ARG 300 Cb 0.40 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 3gg9 n ARG 300 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3gg9 s MET 301 N -1.25 3.64 0.53 5.56 -1.94 -1.05 -4.99 119.30 119.80 3gg9 s MET 301 Ca 0.40 -0.50 0.24 0.00 -1.71 0.00 0.00 55.69 54.12 3gg9 s MET 301 Cb 0.21 -3.38 1.47 0.00 2.01 0.00 0.00 34.83 35.13 3gg9 s MET 301 CO 0.26 -0.22 2.13 1.05 -0.01 0.00 0.00 175.02 178.24 3gg9 h GLU 302 N 8.26 0.00 -0.71 2.03 4.11 -1.88 -1.87 114.58 124.51 3gg9 h GLU 302 Ca -0.37 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.02 3gg9 h GLU 302 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3gg9 h GLU 302 CO 0.58 0.07 0.05 0.27 0.07 0.00 0.00 179.01 180.06 3gg9 n ASN 303 N -3.98 4.56 -4.14 3.06 6.94 -1.26 -4.78 115.26 115.65 3gg9 n ASN 303 Ca -0.03 -2.78 -0.28 0.00 -0.02 0.00 0.00 54.58 51.48 3gg9 n ASN 303 Cb 0.16 -0.66 -0.17 0.00 -2.36 0.00 0.00 39.78 36.76 3gg9 n ASN 303 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gg9 s ILE 305 N 0.28 4.36 -0.13 0.00 1.01 -0.33 -4.83 121.20 121.56 3gg9 s ILE 305 Ca -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.41 3gg9 s ILE 305 Cb -0.15 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3gg9 s ILE 305 CO 0.05 0.35 -0.22 0.00 0.00 0.00 0.00 174.94 175.12 3gg9 s THR 307 N 0.73 3.67 -1.34 0.00 -4.23 -0.61 -5.00 115.64 108.86 3gg9 s THR 307 Ca -0.09 -1.39 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 3gg9 s THR 307 Cb -0.16 -2.83 0.12 0.00 1.34 0.00 0.00 72.50 70.97 3gg9 s THR 307 CO 0.00 -0.07 2.10 -0.81 -0.54 0.00 0.00 174.62 175.31 3gg9 n PRO 308 N 0.02 3.65 -3.76 3.99 -0.04 -1.26 -4.29 135.00 133.31 3gg9 n PRO 308 Ca -0.10 -3.25 -0.28 0.00 -0.04 0.00 0.00 63.50 59.83 3gg9 n PRO 308 Cb 0.55 -2.93 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 3gg9 n PRO 308 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3gg9 n HIS 309 N 3.89 -1.83 0.44 0.54 -0.00 -0.05 -4.90 115.22 113.32 3gg9 n HIS 309 Ca 0.48 0.60 0.11 0.00 0.46 0.00 0.00 57.72 59.38 3gg9 n HIS 309 Cb 0.34 -3.67 0.18 0.00 -0.12 0.00 0.00 29.99 26.71 3gg9 n HIS 309 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 3gg9 n ILE 310 N -4.26 0.38 -0.34 3.57 -5.35 -1.26 -4.63 119.36 107.47 3gg9 n ILE 310 Ca -0.19 -0.69 0.06 0.00 -0.27 0.00 0.00 62.75 61.66 3gg9 n ILE 310 Cb 0.63 1.10 0.13 0.00 -1.74 0.00 0.00 39.64 39.76 3gg9 n ILE 310 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gg9 n GLY 311 N 1.38 -1.61 0.66 3.28 0.00 -1.26 -1.57 105.19 106.06 3gg9 n GLY 311 Ca 0.17 1.02 0.10 0.00 0.00 0.00 0.00 46.02 47.32 3gg9 n GLY 311 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gg9 n TYR 312 N -5.56 0.00 -2.56 1.61 0.18 -1.26 -2.28 117.16 107.29 3gg9 n TYR 312 Ca 0.15 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.52 3gg9 n TYR 312 Cb 0.48 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.41 3gg9 n TYR 312 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3gg9 s VAL 313 N -2.01 3.92 -0.14 -3.48 1.01 -0.61 -4.49 120.40 114.60 3gg9 s VAL 313 Ca 0.21 -0.70 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 3gg9 s VAL 313 Cb 0.17 -5.05 0.06 0.00 0.00 0.00 0.00 36.38 31.56 3gg9 s VAL 313 CO 0.38 -1.93 0.63 -0.70 0.00 0.00 0.00 175.10 173.48 3gg9 s GLU 314 N 5.00 0.88 0.15 2.72 -6.30 -1.26 -4.98 118.70 114.91 3gg9 s GLU 314 Ca 0.45 0.52 -0.14 0.00 -2.50 0.00 0.00 54.97 53.30 3gg9 s GLU 314 Cb -0.01 0.42 0.03 0.00 0.00 0.00 0.00 34.13 34.58 3gg9 s GLU 314 CO -0.08 -0.20 1.72 0.07 0.02 0.00 0.00 175.26 176.78 3gg9 h ARG 315 N 4.07 0.72 -0.35 4.30 -0.00 -1.99 0.76 114.38 121.89 3gg9 h ARG 315 Ca -0.28 -0.12 -0.12 0.00 -0.00 0.00 0.00 59.98 59.46 3gg9 h ARG 315 Cb 1.16 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.97 30.99 3gg9 h ARG 315 CO 0.25 0.62 -0.25 0.93 -0.00 0.00 0.00 179.97 181.53 3gg9 h GLU 316 N 0.65 0.78 -0.25 0.08 5.08 -1.98 -1.23 114.58 117.71 3gg9 h GLU 316 Ca 0.17 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 3gg9 h GLU 316 Cb 0.16 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3gg9 h GLU 316 CO -0.02 1.00 -0.01 1.03 -1.00 0.00 0.00 179.01 180.01 3gg9 h SER 317 N 0.56 -0.12 -0.42 1.42 0.87 -1.78 -1.31 113.55 112.76 3gg9 h SER 317 Ca 0.07 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 3gg9 h SER 317 Cb 0.81 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 3gg9 h SER 317 CO 0.07 -0.03 0.22 1.88 -0.53 0.00 0.00 176.83 178.44 3gg9 h TYR 318 N 0.06 0.58 -0.33 2.24 -1.99 -0.75 0.14 116.97 116.92 3gg9 h TYR 318 Ca 0.12 -0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.90 3gg9 h TYR 318 Cb 0.16 -0.19 -0.07 0.00 2.00 0.00 0.00 36.73 38.64 3gg9 h TYR 318 CO -0.21 0.45 -0.10 0.93 -0.00 0.00 0.00 178.16 179.24 3gg9 h GLU 319 N 0.54 -0.02 0.19 4.88 4.39 -0.89 -0.48 114.58 123.19 3gg9 h GLU 319 Ca 0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3gg9 h GLU 319 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3gg9 h GLU 319 CO -0.02 -0.01 -0.09 1.98 -1.16 0.00 0.00 179.01 179.71 3gg9 h MET 320 N -0.02 -0.24 0.39 2.33 4.05 -1.04 0.04 114.93 120.43 3gg9 h MET 320 Ca 0.16 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3gg9 h MET 320 Cb 0.26 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 3gg9 h MET 320 CO -0.35 0.05 -0.29 1.88 0.23 0.00 0.00 176.91 178.43 3gg9 h TYR 321 N -0.53 -0.75 -0.31 1.39 0.05 -0.55 -1.97 116.97 114.29 3gg9 h TYR 321 Ca -0.03 -0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.59 3gg9 h TYR 321 Cb 0.40 0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 3gg9 h TYR 321 CO 0.02 -0.43 -0.44 0.74 -1.05 0.00 0.00 178.16 177.00 3gg9 h PHE 322 N -0.66 0.96 -0.56 4.88 0.04 -1.20 -1.93 116.94 118.46 3gg9 h PHE 322 Ca -0.03 -0.30 0.11 0.00 2.80 0.00 0.00 57.97 60.55 3gg9 h PHE 322 Cb 0.57 -0.20 -0.10 0.00 2.20 0.00 0.00 35.95 38.42 3gg9 h PHE 322 CO -0.13 1.09 -0.11 0.78 -0.60 0.00 0.00 178.31 179.33 3gg9 h GLY 323 N 0.87 0.44 0.81 -1.45 0.00 -0.90 0.19 103.07 103.03 3gg9 h GLY 323 Ca 0.04 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 3gg9 h GLY 323 CO 0.10 -0.21 -0.05 -2.22 0.00 0.00 0.00 176.54 174.16 3gg9 h ILE 324 N 0.02 1.28 -0.65 2.60 2.04 -1.27 -0.46 117.51 121.06 3gg9 h ILE 324 Ca 0.27 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3gg9 h ILE 324 Cb 0.42 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3gg9 h ILE 324 CO -0.56 0.31 0.36 0.00 0.00 0.00 0.00 178.15 178.26 3gg9 h ALA 325 N 0.74 1.40 -0.08 1.87 0.00 -0.89 0.35 119.26 122.65 3gg9 h ALA 325 Ca 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3gg9 h ALA 325 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gg9 h ALA 325 CO 0.02 0.50 -0.16 0.74 0.00 0.00 0.00 179.25 180.34 3gg9 h PHE 326 N 0.91 0.32 -0.43 0.00 0.04 -0.59 -2.91 116.94 114.27 3gg9 h PHE 326 Ca 0.23 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.90 3gg9 h PHE 326 Cb 0.03 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3gg9 h PHE 326 CO 0.01 0.76 0.28 0.37 -0.60 0.00 0.00 178.31 179.13 3gg9 h GLN 327 N -0.22 0.54 -0.63 1.51 5.75 -0.96 -2.38 115.11 118.72 3gg9 h GLN 327 Ca 0.00 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3gg9 h GLN 327 Cb 0.75 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 3gg9 h GLN 327 CO 0.04 0.36 0.42 -0.91 -2.65 0.00 0.00 178.83 176.08 3gg9 h ASN 328 N 0.56 0.72 -0.19 -0.69 2.35 -0.84 0.16 115.58 117.66 3gg9 h ASN 328 Ca 0.16 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3gg9 h ASN 328 Cb -0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3gg9 h ASN 328 CO -0.04 0.52 0.12 0.40 -1.65 0.00 0.00 177.43 176.79 3gg9 h ILE 329 N 0.85 1.06 -0.90 2.81 2.04 -1.26 -1.46 117.51 120.65 3gg9 h ILE 329 Ca 0.23 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 66.00 3gg9 h ILE 329 Cb -0.10 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3gg9 h ILE 329 CO -0.05 0.05 0.59 -0.07 0.00 0.00 0.00 178.15 178.67 3gg9 h LEU 330 N 0.25 1.00 -0.70 1.44 3.38 -0.98 -2.28 115.31 117.41 3gg9 h LEU 330 Ca 0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3gg9 h LEU 330 Cb -0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3gg9 h LEU 330 CO -0.01 0.70 -0.16 0.44 0.09 0.00 0.00 178.44 179.50 3gg9 h ASP 331 N 1.17 0.84 -0.54 -0.43 3.32 -0.49 -3.00 116.42 117.29 3gg9 h ASP 331 Ca 0.34 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3gg9 h ASP 331 Cb -0.06 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3gg9 h ASP 331 CO -0.10 1.00 -0.04 0.40 -1.72 0.00 0.00 179.24 178.78 3gg9 h ILE 332 N 0.75 1.27 0.00 0.35 5.03 -0.98 -0.31 117.51 123.61 3gg9 h ILE 332 Ca 0.11 -1.17 0.00 0.00 -0.12 0.00 0.00 64.86 63.69 3gg9 h ILE 332 Cb 0.67 0.94 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3gg9 h ILE 332 CO 0.05 0.41 0.00 -0.07 -0.68 0.00 0.00 178.15 177.86 3gg9 h LEU 333 N 0.85 0.00 -2.66 1.44 3.38 -1.33 -0.64 115.31 116.35 3gg9 h LEU 333 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gg9 h LEU 333 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3gg9 h LEU 333 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3gg9 n GLN 334 N -2.30 2.63 -0.68 1.13 1.13 -0.99 -4.97 117.38 113.33 3gg9 n GLN 334 Ca 0.00 -2.36 0.00 0.00 -1.94 0.00 0.00 57.00 52.70 3gg9 n GLN 334 Cb 0.14 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3gg9 n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gg9 n GLY 335 N 1.26 0.84 3.55 1.08 0.00 -0.25 -5.01 105.19 106.66 3gg9 n GLY 335 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3gg9 n GLY 335 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gg9 s ASN 336 N -2.98 6.42 -0.23 1.61 3.84 -0.16 -4.90 114.94 118.54 3gg9 s ASN 336 Ca 0.00 -0.07 0.14 0.00 0.21 0.00 0.00 52.86 53.14 3gg9 s ASN 336 Cb 0.00 -2.49 0.56 0.00 -0.55 0.00 0.00 41.25 38.77 3gg9 s ASN 336 CO 0.00 -1.30 1.50 1.33 -2.79 0.00 0.00 177.10 175.84 3gg9 n VAL 337 N 6.45 2.47 0.03 -5.21 0.24 -1.26 -2.91 118.33 118.14 3gg9 n VAL 337 Ca 0.05 -2.06 0.13 0.00 -2.04 0.00 0.00 64.34 60.43 3gg9 n VAL 337 Cb 0.48 -0.29 0.58 0.00 -1.47 0.00 0.00 33.84 33.15 3gg9 n VAL 337 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gg9 h ASP 338 N 1.74 0.18 -0.01 -1.34 3.32 -1.95 -2.39 116.42 115.97 3gg9 h ASP 338 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gg9 h ASP 338 Cb 1.66 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3gg9 h ASP 338 CO 0.36 0.11 0.00 -1.54 -1.72 0.00 0.00 179.24 176.45 3gg9 n SER 339 N -4.46 0.70 -4.67 6.45 3.41 -1.26 -4.86 113.62 108.93 3gg9 n SER 339 Ca 0.06 -1.27 -0.42 0.00 -0.26 0.00 0.00 58.87 56.98 3gg9 n SER 339 Cb 0.35 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 3gg9 n SER 339 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gg9 s VAL 340 N -1.99 3.82 0.11 -3.33 1.01 -0.90 -0.21 120.40 118.92 3gg9 s VAL 340 Ca 0.42 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 63.36 3gg9 s VAL 340 Cb 0.21 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 32.75 3gg9 s VAL 340 CO 0.34 -0.06 1.32 0.00 0.00 0.00 0.00 175.10 176.70 3gg9 h ALA 341 N 8.58 0.35 -2.26 5.51 0.00 -0.52 -3.39 119.26 127.53 3gg9 h ALA 341 Ca -0.35 -0.60 -0.64 0.00 0.00 0.00 0.00 54.91 53.31 3gg9 h ALA 341 Cb 1.16 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.54 3gg9 h ALA 341 CO 0.94 0.70 -0.32 0.27 0.00 0.00 0.00 179.25 180.84 3gg9 n ASN 342 N -3.92 4.21 0.25 0.00 6.94 -1.26 -4.96 115.26 116.52 3gg9 n ASN 342 Ca -0.07 -3.41 0.17 0.00 -0.02 0.00 0.00 54.58 51.25 3gg9 n ASN 342 Cb 0.75 -0.81 0.81 0.00 -2.36 0.00 0.00 39.78 38.17 3gg9 n ASN 342 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 3gg9 h PRO 343 N 4.60 0.00 0.00 -0.53 0.11 -1.95 -1.03 132.00 133.20 3gg9 h PRO 343 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3gg9 h PRO 343 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3gg9 h PRO 343 CO 0.92 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.96 3gg9 n THR 344 N -2.74 0.05 0.96 -1.15 -2.24 -1.26 -1.59 114.28 106.31 3gg9 n THR 344 Ca -0.01 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 3gg9 n THR 344 Cb 0.15 -0.69 0.53 0.00 -2.10 0.00 0.00 70.33 68.22 3gg9 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gg9 n ALA 345 N -1.03 2.54 0.23 6.98 0.00 -0.39 -3.60 120.51 125.24 3gg9 n ALA 345 Ca 0.15 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.57 3gg9 n ALA 345 Cb 0.08 -1.41 0.14 0.00 0.00 0.00 0.00 19.45 18.27 3gg9 n ALA 345 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gg9 h LEU 346 N 0.00 0.00-10.13 0.00 3.38 -1.50 -3.42 115.31 103.63 3gg9 h LEU 346 Ca 0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.43 3gg9 h LEU 346 Cb 0.53 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.40 3gg9 h LEU 346 CO 0.00 0.00 0.44 0.00 0.09 0.00 0.00 178.44 178.97 3gg9 s ALA 347 N -3.24 2.42 0.57 1.53 0.00 -1.24 -5.00 121.76 116.80 3gg9 s ALA 347 Ca 0.05 0.91 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 3gg9 s ALA 347 Cb 0.07 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 3gg9 s ALA 347 CO 0.70 -1.37 1.22 -1.25 0.00 0.00 0.00 175.76 175.06 3gg9 s PRO 348 N -3.59 3.11 0.61 0.00 0.04 -1.26 -4.79 135.00 129.12 3gg9 s PRO 348 Ca 0.75 1.86 0.28 0.00 0.04 0.00 0.00 61.00 63.93 3gg9 s PRO 348 Cb -0.29 -2.03 1.40 0.00 0.04 0.00 0.00 34.50 33.62 3gg9 s PRO 348 CO 0.37 -1.10 1.81 0.00 0.04 0.00 0.00 177.00 178.12 3gg9 h ALA 349 N 1.12 2.03 -0.36 8.56 0.00 -1.94 0.22 119.26 128.88 3gg9 h ALA 349 Ca -0.50 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 3gg9 h ALA 349 Cb 1.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3gg9 h ALA 349 CO 0.56 -0.72 -0.33 -0.07 0.00 0.00 0.00 179.25 178.69 3gg9 h LEU 350 N 0.00 0.85 0.00 0.00 3.38 -2.03 -3.03 115.31 114.47 3gg9 h LEU 350 Ca 0.18 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3gg9 h LEU 350 Cb 1.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3gg9 h LEU 350 CO -0.00 1.10 -0.52 -0.38 0.09 0.00 0.00 178.44 178.73 3gg9 n ILE 351 N -4.07 0.00 1.55 1.22 5.41 -0.01 -5.26 119.36 118.20 3gg9 n ILE 351 Ca -0.01 -0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.88 3gg9 n ILE 351 Cb 0.50 0.28 0.57 0.00 -0.71 0.00 0.00 39.64 40.28 3gg9 n ILE 351 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09