#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 3.66 -0.19 2.46 1.43 -1.26 -4.79 118.68 119.99 3gg9 s LEU 12 Ca 0.00 2.11 -0.23 0.00 -1.03 0.00 0.00 54.13 54.98 3gg9 s LEU 12 Cb 0.00 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 3gg9 s LEU 12 CO 0.00 -1.29 0.71 -0.75 0.23 0.00 0.00 176.35 175.25 3gg9 s LYS 13 N -3.50 4.23 -0.06 1.70 2.20 -1.26 -2.26 119.74 120.79 3gg9 s LYS 13 Ca 0.71 0.77 0.05 0.00 -0.36 0.00 0.00 55.97 57.14 3gg9 s LYS 13 Cb -0.22 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.51 3gg9 s LYS 13 CO 0.30 -0.30 -0.23 0.42 -0.36 0.00 0.00 175.35 175.19 3gg9 s ILE 14 N 2.08 1.92 -0.13 5.43 1.01 0.99 -1.25 121.20 131.25 3gg9 s ILE 14 Ca 0.32 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 3gg9 s ILE 14 Cb -0.16 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 3gg9 s ILE 14 CO 0.11 0.53 -0.12 0.00 0.00 0.00 0.00 174.94 175.47 3gg9 s ALA 15 N -0.02 2.68 -0.24 9.38 0.00 -0.49 -0.39 121.76 132.69 3gg9 s ALA 15 Ca -0.07 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3gg9 s ALA 15 Cb -0.14 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 3gg9 s ALA 15 CO 0.04 0.25 0.08 0.08 0.00 0.00 0.00 175.76 176.22 3gg9 s VAL 16 N 0.33 4.57 0.31 0.00 1.01 0.41 -0.44 120.40 126.58 3gg9 s VAL 16 Ca -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 3gg9 s VAL 16 Cb -0.16 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3gg9 s VAL 16 CO 0.05 0.36 0.53 -0.76 0.00 0.00 0.00 175.10 175.28 3gg9 s LEU 17 N 1.31 4.05 -1.65 3.92 1.43 -1.01 -1.13 118.68 125.59 3gg9 s LEU 17 Ca 0.05 0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3gg9 s LEU 17 Cb -0.15 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.69 3gg9 s LEU 17 CO 0.04 -0.24 0.01 0.47 0.23 0.00 0.00 176.35 176.87 3gg9 n ASP 18 N -1.37 -5.56 -4.30 2.29 8.00 -1.23 -4.42 116.55 109.97 3gg9 n ASP 18 Ca -0.04 -0.02 -0.44 0.00 0.71 0.00 0.00 54.79 55.00 3gg9 n ASP 18 Cb 0.55 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 3gg9 n ASP 18 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gg9 n ASP 19 N -1.70 5.32 -0.31 -2.24 2.03 -0.28 -4.87 116.55 114.50 3gg9 n ASP 19 Ca -0.23 -3.04 0.15 0.00 0.52 0.00 0.00 54.79 52.20 3gg9 n ASP 19 Cb 0.67 -1.51 0.34 0.00 -0.72 0.00 0.00 41.12 39.91 3gg9 n ASP 19 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3gg9 h TYR 20 N 6.68 0.66 -0.28 -0.67 0.05 -1.81 -1.76 116.97 119.83 3gg9 h TYR 20 Ca 0.30 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.13 3gg9 h TYR 20 Cb 0.81 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3gg9 h TYR 20 CO 1.07 -0.10 0.00 1.04 -1.05 0.00 0.00 178.16 179.12 3gg9 n GLN 21 N -5.08 2.25 -3.57 4.88 6.02 -1.26 -4.84 117.38 115.78 3gg9 n GLN 21 Ca 0.24 -1.88 -0.22 0.00 -0.01 0.00 0.00 57.00 55.14 3gg9 n GLN 21 Cb 0.73 -1.47 0.08 0.00 1.02 0.00 0.00 30.24 30.59 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 1.11 -4.32 0.03 1.08 2.03 -0.66 -4.94 116.55 110.87 3gg9 n ASP 22 Ca 0.18 -0.61 -0.20 0.00 0.52 0.00 0.00 54.79 54.68 3gg9 n ASP 22 Cb 0.52 -4.91 -0.14 0.00 -0.72 0.00 0.00 41.12 35.86 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 0.96 -0.02 -0.80 -1.67 0.00 -1.92 -3.39 119.26 112.43 3gg9 h ALA 23 Ca -0.58 -0.79 0.16 0.00 0.00 0.00 0.00 54.91 53.70 3gg9 h ALA 23 Cb 1.36 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 3gg9 h ALA 23 CO 0.55 0.46 0.33 0.28 0.00 0.00 0.00 179.25 180.87 3gg9 h VAL 24 N -0.42 0.63 0.00 0.00 2.07 -1.93 -0.76 116.25 115.84 3gg9 h VAL 24 Ca -0.18 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3gg9 h VAL 24 Cb 1.62 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3gg9 h VAL 24 CO 0.11 0.08 0.00 -2.11 0.02 0.00 0.00 177.57 175.67 3gg9 n ARG 25 N -5.00 0.11 0.00 1.57 1.85 -1.26 -1.92 116.66 112.02 3gg9 n ARG 25 Ca 0.16 0.18 0.09 0.00 -1.00 0.00 0.00 57.85 57.29 3gg9 n ARG 25 Cb 0.46 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.40 3gg9 n ARG 25 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3gg9 n LYS 26 N -1.40 1.59 -1.76 2.89 4.01 -0.30 -4.99 118.16 118.20 3gg9 n LYS 26 Ca 0.06 -1.17 -0.32 0.00 -0.51 0.00 0.00 58.31 56.37 3gg9 n LYS 26 Cb 0.16 -1.36 0.04 0.00 -0.51 0.00 0.00 35.03 33.36 3gg9 n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3gg9 s LEU 27 N -2.01 3.34 0.09 -0.35 1.43 -0.81 -4.98 118.68 115.39 3gg9 s LEU 27 Ca 0.18 1.87 -0.10 0.00 -1.03 0.00 0.00 54.13 55.05 3gg9 s LEU 27 Cb 0.16 -4.53 -0.21 0.00 0.03 0.00 0.00 46.19 41.63 3gg9 s LEU 27 CO 0.39 -1.52 1.19 0.44 0.23 0.00 0.00 176.35 177.09 3gg9 h ASP 28 N -0.09 0.75 0.02 2.29 3.32 -1.94 -3.07 116.42 117.69 3gg9 h ASP 28 Ca -0.46 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 55.95 3gg9 h ASP 28 Cb 1.23 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3gg9 h ASP 28 CO 0.55 1.45 0.00 0.00 -1.72 0.00 0.00 179.24 179.52 3gg9 n PHE 30 N -1.04 0.92 0.23 0.00 7.35 -1.16 -2.75 117.46 121.01 3gg9 n PHE 30 Ca 0.05 0.28 0.08 0.00 -0.76 0.00 0.00 57.45 57.09 3gg9 n PHE 30 Cb 0.03 -0.95 0.57 0.00 0.35 0.00 0.00 39.48 39.47 3gg9 n PHE 30 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3gg9 h SER 31 N 0.00 0.00 0.00 -2.13 0.87 -1.72 -3.12 113.55 107.45 3gg9 h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3gg9 h SER 31 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3gg9 h SER 31 CO 0.00 0.19 0.25 -0.07 -0.53 0.00 0.00 176.83 176.67 3gg9 h LEU 32 N 0.00 0.00 -3.35 2.23 3.38 -1.77 -2.32 115.31 113.48 3gg9 h LEU 32 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 3gg9 h LEU 32 Cb 0.39 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.03 3gg9 h LEU 32 CO 0.02 0.00 -0.07 0.18 0.09 0.00 0.00 178.44 178.66 3gg9 n LEU 33 N -2.93 4.13 0.30 1.67 4.77 -1.18 -4.76 117.00 119.01 3gg9 n LEU 33 Ca -0.02 -3.74 0.19 0.00 -0.03 0.00 0.00 56.01 52.41 3gg9 n LEU 33 Cb 0.30 -0.63 0.89 0.00 -2.33 0.00 0.00 43.42 41.65 3gg9 n LEU 33 CO 0.15 1.23 1.07 0.06 -1.33 0.00 0.00 177.39 178.57 3gg9 h GLN 34 N 1.04 0.00 -0.00 3.23 3.07 -1.62 -2.51 115.11 118.32 3gg9 h GLN 34 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 3gg9 h GLN 34 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.22 3gg9 h GLN 34 CO 0.39 0.00 -0.17 -0.25 0.09 0.00 0.00 178.83 178.88 3gg9 n ASP 35 N -3.08 0.37 -4.71 0.06 8.00 -1.26 -4.94 116.55 110.98 3gg9 n ASP 35 Ca -0.01 -0.24 -0.27 0.00 0.71 0.00 0.00 54.79 54.98 3gg9 n ASP 35 Cb 0.21 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 3gg9 n ASP 35 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3gg9 s HIS 36 N -2.72 2.41 -0.33 1.24 3.76 -0.94 -4.47 115.29 114.23 3gg9 s HIS 36 Ca 0.21 -0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 54.29 3gg9 s HIS 36 Cb 0.19 -1.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 3gg9 s HIS 36 CO 0.54 0.24 0.32 -1.21 -0.85 0.00 0.00 174.74 173.78 3gg9 s GLU 37 N -3.86 3.59 -0.12 1.40 2.02 -0.96 -5.02 118.70 115.75 3gg9 s GLU 37 Ca 0.34 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.91 3gg9 s GLU 37 Cb 0.05 -3.79 -0.00 0.00 0.10 0.00 0.00 34.13 30.49 3gg9 s GLU 37 CO 0.18 -0.48 -0.20 0.08 0.02 0.00 0.00 175.26 174.87 3gg9 s VAL 38 N 1.94 2.38 -0.14 2.63 1.01 -1.26 -0.00 120.40 126.94 3gg9 s VAL 38 Ca 0.10 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 3gg9 s VAL 38 Cb -0.17 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 3gg9 s VAL 38 CO 0.11 0.54 -0.13 -0.75 0.00 0.00 0.00 175.10 174.88 3gg9 s LYS 39 N 0.47 3.35 -0.20 2.72 2.47 0.48 -4.97 119.74 124.05 3gg9 s LYS 39 Ca -0.14 -0.69 -0.04 0.00 -1.56 0.00 0.00 55.97 53.54 3gg9 s LYS 39 Cb -0.17 -2.66 -0.02 0.00 -1.46 0.00 0.00 37.83 33.52 3gg9 s LYS 39 CO 0.06 0.14 -0.03 0.08 0.16 0.00 0.00 175.35 175.75 3gg9 s VAL 40 N 0.54 3.63 0.10 4.02 1.01 -1.26 -0.45 120.40 127.99 3gg9 s VAL 40 Ca -0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 3gg9 s VAL 40 Cb -0.16 -2.63 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 3gg9 s VAL 40 CO 0.04 0.44 0.48 -0.36 0.00 0.00 0.00 175.10 175.70 3gg9 s PHE 41 N 1.12 3.63 -1.02 5.22 0.40 -0.29 -4.97 117.98 122.07 3gg9 s PHE 41 Ca 0.02 0.98 0.12 0.00 -0.60 0.00 0.00 56.93 57.44 3gg9 s PHE 41 Cb -0.15 -2.30 0.32 0.00 0.51 0.00 0.00 43.02 41.41 3gg9 s PHE 41 CO 0.00 0.50 1.26 0.09 0.70 0.00 0.00 175.22 177.77 3gg9 n ASN 42 N 1.02 2.97 -3.12 1.36 5.03 -1.26 -1.12 115.26 120.13 3gg9 n ASN 42 Ca -0.08 -1.98 -0.18 0.00 0.87 0.00 0.00 54.58 53.21 3gg9 n ASN 42 Cb 0.52 -0.24 -0.06 0.00 -1.02 0.00 0.00 39.78 38.97 3gg9 n ASN 42 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3gg9 n ASN 43 N 0.60 -0.91 -4.37 6.41 0.23 -1.26 -3.96 115.26 111.99 3gg9 n ASN 43 Ca 0.12 -3.07 -0.32 0.00 -0.53 0.00 0.00 54.58 50.78 3gg9 n ASN 43 Cb 0.44 1.93 -0.15 0.00 -2.08 0.00 0.00 39.78 39.92 3gg9 n ASN 43 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3gg9 s THR 44 N -3.16 2.71 -0.05 5.53 2.01 -1.26 -3.74 115.64 117.66 3gg9 s THR 44 Ca 0.36 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.60 3gg9 s THR 44 Cb 0.01 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 3gg9 s THR 44 CO 0.25 0.56 -0.25 0.68 -0.69 0.00 0.00 174.62 175.18 3gg9 s VAL 45 N -0.22 2.06 0.18 3.82 -7.23 -1.26 -5.08 120.40 112.66 3gg9 s VAL 45 Ca -0.00 -1.07 0.08 0.00 -1.81 0.00 0.00 61.98 59.18 3gg9 s VAL 45 Cb -0.13 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3gg9 s VAL 45 CO 0.03 0.57 -0.07 -0.54 -0.31 0.00 0.00 175.10 174.78 3gg9 s LYS 46 N -0.21 2.15 0.00 4.82 1.02 -1.26 -4.73 119.74 121.53 3gg9 s LYS 46 Ca -0.02 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.75 3gg9 s LYS 46 Cb -0.13 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3gg9 s LYS 46 CO 0.03 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 3gg9 n GLY 47 N 0.02 1.76 0.28 -3.33 0.00 -1.26 -4.56 105.19 98.10 3gg9 n GLY 47 Ca -0.11 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 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 0.43 -0.44 1.61 2.07 -1.98 -2.31 116.25 115.64 3gg9 h VAL 48 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3gg9 h VAL 48 Cb 0.00 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 3gg9 h VAL 48 CO 0.00 0.00 0.12 1.23 0.02 0.00 0.00 177.57 178.94 3gg9 h GLY 49 N -0.38 0.55 1.12 2.17 0.00 -1.98 0.14 103.07 104.68 3gg9 h GLY 49 Ca 0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3gg9 h GLY 49 CO -0.23 -0.01 -0.43 -1.61 0.00 0.00 0.00 176.54 174.27 3gg9 h GLN 50 N 0.27 0.90 -0.21 4.80 4.15 -1.78 -1.22 115.11 122.02 3gg9 h GLN 50 Ca 0.21 -0.51 -0.06 0.00 0.77 0.00 0.00 58.65 59.06 3gg9 h GLN 50 Cb 0.23 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3gg9 h GLN 50 CO -0.24 1.15 -0.11 1.25 -1.93 0.00 0.00 178.83 178.95 3gg9 h LEU 51 N 0.70 0.45 -0.59 -2.39 5.85 -1.23 -2.37 115.31 115.74 3gg9 h LEU 51 Ca 0.04 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3gg9 h LEU 51 Cb 1.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3gg9 h LEU 51 CO 0.10 0.77 0.32 0.00 -0.34 0.00 0.00 178.44 179.29 3gg9 h ALA 52 N 0.70 0.78 -0.78 1.25 0.00 -0.70 -2.08 119.26 118.42 3gg9 h ALA 52 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3gg9 h ALA 52 Cb 0.60 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3gg9 h ALA 52 CO 0.03 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.66 3gg9 h ALA 53 N 1.31 1.22 -0.43 0.00 0.00 -1.15 -1.22 119.26 118.99 3gg9 h ALA 53 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gg9 h ALA 53 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3gg9 h ALA 53 CO -0.16 0.61 0.03 -0.09 0.00 0.00 0.00 179.25 179.63 3gg9 h ARG 54 N 1.10 0.74 -0.31 0.00 2.43 -1.00 -3.28 114.38 114.06 3gg9 h ARG 54 Ca 0.27 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 59.10 3gg9 h ARG 54 Cb 0.08 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 3gg9 h ARG 54 CO -0.04 0.79 -0.04 1.33 -1.51 0.00 0.00 179.97 180.51 3gg9 n VAL 55 N -4.44 2.44 -0.09 0.20 0.24 -0.82 -4.83 118.33 111.03 3gg9 n VAL 55 Ca -0.00 -2.43 0.17 0.00 -2.04 0.00 0.00 64.34 60.04 3gg9 n VAL 55 Cb 0.27 -0.30 0.58 0.00 -1.47 0.00 0.00 33.84 32.93 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 2.27 -0.08 2.33 0.00 -1.29 -2.46 119.26 121.24 3gg9 h ALA 56 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gg9 h ALA 56 Cb 1.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3gg9 h ALA 56 CO 0.32 -0.44 0.00 -0.40 0.00 0.00 0.00 179.25 178.73 3gg9 n ASP 57 N -4.43 2.82 -4.82 0.00 3.85 -1.26 -4.83 116.55 107.88 3gg9 n ASP 57 Ca 0.12 -3.01 -0.36 0.00 -0.71 0.00 0.00 54.79 50.82 3gg9 n ASP 57 Cb 0.55 -0.45 -0.06 0.00 -1.35 0.00 0.00 41.12 39.81 3gg9 n ASP 57 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3gg9 s VAL 58 N -2.77 4.58 -0.12 2.12 -7.23 -0.93 -4.85 120.40 111.20 3gg9 s VAL 58 Ca 0.34 1.26 0.17 0.00 -1.81 0.00 0.00 61.98 61.95 3gg9 s VAL 58 Cb 0.29 -3.85 -0.22 0.00 0.56 0.00 0.00 36.38 33.16 3gg9 s VAL 58 CO 0.05 0.19 0.47 -0.62 -0.31 0.00 0.00 175.10 174.88 3gg9 n GLU 59 N 0.68 0.65 -4.09 4.82 1.02 -0.38 -3.53 120.64 119.81 3gg9 n GLU 59 Ca -0.02 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.04 3gg9 n GLU 59 Cb 0.51 -1.66 -0.15 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.79 0.44 -0.18 0.62 0.00 -0.66 -0.80 121.76 118.40 3gg9 s ALA 60 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.82 3gg9 s ALA 60 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3gg9 s ALA 60 CO 0.83 0.03 -0.11 -1.17 0.00 0.00 0.00 175.76 175.35 3gg9 s LEU 61 N 0.43 2.67 -0.29 0.00 2.96 0.01 -1.39 118.68 123.07 3gg9 s LEU 61 Ca -0.05 -0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 53.34 3gg9 s LEU 61 Cb -0.08 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3gg9 s LEU 61 CO -0.00 0.06 0.17 -0.69 -1.32 0.00 0.00 176.35 174.56 3gg9 s VAL 62 N 0.99 4.99 -0.01 1.68 1.01 0.41 -0.32 120.40 129.15 3gg9 s VAL 62 Ca -0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 3gg9 s VAL 62 Cb -0.15 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3gg9 s VAL 62 CO -0.01 0.19 0.30 -0.76 0.00 0.00 0.00 175.10 174.82 3gg9 s LEU 63 N 1.70 4.40 -0.51 3.92 1.43 -0.88 -2.40 118.68 126.35 3gg9 s LEU 63 Ca 0.06 0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 53.67 3gg9 s LEU 63 Cb -0.16 -2.58 0.07 0.00 0.03 0.00 0.00 46.19 43.55 3gg9 s LEU 63 CO 0.09 0.29 0.54 -0.63 0.23 0.00 0.00 176.35 176.87 3gg9 s ILE 64 N -1.20 5.03 0.00 -0.59 1.01 -1.26 -2.38 121.20 121.80 3gg9 s ILE 64 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3gg9 s ILE 64 Cb -0.14 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3gg9 s ILE 64 CO 0.13 -0.77 0.00 0.54 0.00 0.00 0.00 174.94 174.84 3gg9 n ARG 65 N 5.77 0.00 -1.03 2.79 1.74 -1.25 -1.84 116.66 122.83 3gg9 n ARG 65 Ca -0.10 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.86 3gg9 n ARG 65 Cb 0.44 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.12 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 3.02 0.21 5.56 1.02 -1.26 -4.62 120.64 138.57 3gg9 n GLU 66 Ca 0.00 -2.83 0.07 0.00 -0.02 0.00 0.00 57.16 54.38 3gg9 n GLU 66 Cb 0.00 -2.13 0.47 0.00 -0.02 0.00 0.00 31.44 29.76 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 1.90 0.00 -4.42 3.49 3.08 -1.78 -3.43 114.38 113.22 3gg9 h ARG 67 Ca 0.38 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 60.02 3gg9 h ARG 67 Cb 2.43 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 32.17 3gg9 h ARG 67 CO 0.83 0.29 -0.78 0.99 -1.07 0.00 0.00 179.97 180.22 3gg9 s THR 68 N -4.03 0.69 0.12 2.04 2.01 -1.26 -5.03 115.64 110.18 3gg9 s THR 68 Ca -0.02 -0.29 -0.21 0.00 0.31 0.00 0.00 61.69 61.47 3gg9 s THR 68 Cb 0.13 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 3gg9 s THR 68 CO 0.67 0.23 0.65 -0.60 -0.69 0.00 0.00 174.62 174.88 3gg9 s ARG 69 N 0.34 4.34 -0.35 4.92 3.52 -1.26 -4.85 118.95 125.61 3gg9 s ARG 69 Ca -0.05 0.90 -0.00 0.00 -0.13 0.00 0.00 55.73 56.44 3gg9 s ARG 69 Cb -0.10 -3.22 0.09 0.00 -1.56 0.00 0.00 34.95 30.16 3gg9 s ARG 69 CO 0.00 0.60 0.09 0.08 -0.81 0.00 0.00 175.30 175.26 3gg9 s VAL 70 N -1.15 2.88 0.38 7.11 1.01 0.11 -5.01 120.40 125.73 3gg9 s VAL 70 Ca 0.32 -1.90 0.07 0.00 0.00 0.00 0.00 61.98 60.48 3gg9 s VAL 70 Cb -0.21 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 3gg9 s VAL 70 CO 0.22 -0.45 0.49 0.42 0.00 0.00 0.00 175.10 175.77 3gg9 s THR 71 N 1.11 3.34 0.20 3.92 -4.23 -1.26 -1.64 115.64 117.08 3gg9 s THR 71 Ca 0.04 -1.08 -0.11 0.00 -1.18 0.00 0.00 61.69 59.36 3gg9 s THR 71 Cb -0.21 -3.15 0.12 0.00 1.34 0.00 0.00 72.50 70.60 3gg9 s THR 71 CO -0.04 -0.07 1.83 -0.09 -0.54 0.00 0.00 174.62 175.71 3gg9 h ARG 72 N 0.83 0.73 -0.85 3.99 2.43 -1.97 -1.56 114.38 117.97 3gg9 h ARG 72 Ca -0.42 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 58.75 3gg9 h ARG 72 Cb 1.27 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 3gg9 h ARG 72 CO 0.50 0.48 0.54 1.96 -1.51 0.00 0.00 179.97 181.94 3gg9 h GLN 73 N 0.75 0.98 -0.44 0.20 7.50 -1.99 0.17 115.11 122.27 3gg9 h GLN 73 Ca 0.26 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.30 3gg9 h GLN 73 Cb 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.33 3gg9 h GLN 73 CO -0.11 0.65 0.09 1.25 -1.50 0.00 0.00 178.83 179.20 3gg9 h LEU 74 N 1.01 0.69 -1.13 1.46 5.85 -1.83 -3.11 115.31 118.24 3gg9 h LEU 74 Ca 0.36 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3gg9 h LEU 74 Cb 0.10 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3gg9 h LEU 74 CO -0.15 0.76 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.55 3gg9 h LEU 75 N 0.59 0.48 -2.12 2.25 3.38 -0.36 -0.83 115.31 118.70 3gg9 h LEU 75 Ca 0.14 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.07 3gg9 h LEU 75 Cb 0.35 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3gg9 h LEU 75 CO 0.01 0.61 0.29 0.44 0.09 0.00 0.00 178.44 179.88 3gg9 h ASP 76 N 0.47 0.00 -0.30 -0.43 3.45 -0.64 -1.79 116.42 117.17 3gg9 h ASP 76 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3gg9 h ASP 76 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3gg9 h ASP 76 CO 0.02 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.23 3gg9 n ARG 77 N -3.81 2.31 -3.15 3.56 1.74 -0.33 -4.63 116.66 112.35 3gg9 n ARG 77 Ca 0.04 -2.11 -0.25 0.00 -0.77 0.00 0.00 57.85 54.76 3gg9 n ARG 77 Cb 0.44 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.31 3.16 0.29 0.55 4.77 -0.67 -4.93 117.00 121.48 3gg9 n LEU 78 Ca 0.17 -5.39 0.15 0.00 -0.03 0.00 0.00 56.01 50.91 3gg9 n LEU 78 Cb 0.56 -0.23 0.86 0.00 -2.33 0.00 0.00 43.42 42.28 3gg9 n LEU 78 CO 0.14 2.23 1.06 1.55 -1.33 0.00 0.00 177.39 181.04 3gg9 h PRO 79 N 3.44 0.00 0.00 3.23 0.13 -1.82 -1.95 132.00 135.03 3gg9 h PRO 79 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3gg9 h PRO 79 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3gg9 h PRO 79 CO 0.73 0.05 0.00 -0.22 -0.23 0.00 0.00 178.00 178.33 3gg9 h LYS 80 N 0.00 0.00 -6.41 0.86 3.64 -1.88 -3.46 116.57 109.32 3gg9 h LYS 80 Ca -0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 3gg9 h LYS 80 Cb 0.18 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3gg9 h LYS 80 CO 0.01 0.00 0.83 -1.17 -2.27 0.00 0.00 179.45 176.84 3gg9 s LEU 81 N -4.61 4.33 -0.08 5.20 2.96 -0.74 -4.39 118.68 121.36 3gg9 s LEU 81 Ca 0.10 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.23 3gg9 s LEU 81 Cb 0.12 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.17 3gg9 s LEU 81 CO 0.58 -0.72 -0.02 0.29 -1.32 0.00 0.00 176.35 175.16 3gg9 n LYS 82 N 5.12 1.72 -4.05 1.98 5.02 0.02 -4.75 118.16 123.23 3gg9 n LYS 82 Ca 0.13 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.26 3gg9 n LYS 82 Cb 0.43 -1.18 -0.16 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.17 0.33 -0.28 -0.18 1.01 -0.99 -2.17 121.20 116.74 3gg9 s ILE 83 Ca -0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 3gg9 s ILE 83 Cb 0.02 -0.38 0.05 0.00 0.01 0.00 0.00 42.46 42.17 3gg9 s ILE 83 CO 0.25 0.17 -0.04 -0.63 0.00 0.00 0.00 174.94 174.69 3gg9 s ILE 84 N 0.81 2.75 -0.43 2.92 1.01 -0.08 -0.81 121.20 127.37 3gg9 s ILE 84 Ca -0.09 -1.40 -0.17 0.00 0.00 0.00 0.00 60.65 58.99 3gg9 s ILE 84 Cb -0.12 -2.56 0.03 0.00 0.01 0.00 0.00 42.46 39.81 3gg9 s ILE 84 CO -0.01 -0.04 0.41 -0.55 0.00 0.00 0.00 174.94 174.75 3gg9 s SER 85 N 1.22 6.17 0.09 3.58 0.15 0.56 0.08 113.70 125.56 3gg9 s SER 85 Ca -0.06 -0.79 -0.25 0.00 0.70 0.00 0.00 55.95 55.55 3gg9 s SER 85 Cb -0.19 -2.21 -0.06 0.00 -1.71 0.00 0.00 66.02 61.85 3gg9 s SER 85 CO -0.03 -0.56 0.78 -1.58 1.20 0.00 0.00 173.24 173.05 3gg9 s GLN 86 N 2.00 4.53 0.03 5.44 2.00 -0.94 -2.06 119.66 130.66 3gg9 s GLN 86 Ca 0.10 1.12 -0.30 0.00 -2.00 0.00 0.00 55.36 54.28 3gg9 s GLN 86 Cb -0.18 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 30.26 3gg9 s GLN 86 CO 0.12 0.38 0.99 0.95 -0.50 0.00 0.00 175.29 177.23 3gg9 s THR 87 N -0.42 4.72 0.00 -0.34 -4.23 -1.00 -3.55 115.64 110.81 3gg9 s THR 87 Ca 0.38 2.02 0.00 0.00 -1.18 0.00 0.00 61.69 62.91 3gg9 s THR 87 Cb -0.22 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.33 3gg9 s THR 87 CO 0.25 0.19 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 3gg9 n GLY 88 N 2.76 0.36 3.79 3.99 0.00 -1.26 -3.97 105.19 110.86 3gg9 n GLY 88 Ca 0.05 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3gg9 n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gg9 s ARG 89 N 0.00 4.26 -0.18 1.61 3.52 -1.26 -0.98 118.95 125.93 3gg9 s ARG 89 Ca 0.00 1.40 -0.02 0.00 -0.13 0.00 0.00 55.73 56.98 3gg9 s ARG 89 Cb 0.00 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.85 3gg9 s ARG 89 CO 0.00 -0.03 -0.09 0.08 -0.81 0.00 0.00 175.30 174.45 3gg9 s VAL 90 N -1.74 3.21 0.17 7.11 1.01 -1.26 -4.93 120.40 123.96 3gg9 s VAL 90 Ca 0.57 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 3gg9 s VAL 90 Cb -0.19 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3gg9 s VAL 90 CO 0.24 0.48 0.34 -0.94 0.00 0.00 0.00 175.10 175.22 3gg9 s SER 91 N 0.94 6.38 -0.55 3.32 1.04 -1.26 -5.04 113.70 118.53 3gg9 s SER 91 Ca -0.01 0.36 0.02 0.00 0.48 0.00 0.00 55.95 56.80 3gg9 s SER 91 Cb -0.15 -1.99 0.42 0.00 0.10 0.00 0.00 66.02 64.40 3gg9 s SER 91 CO -0.00 0.01 1.53 0.54 0.98 0.00 0.00 173.24 176.30 3gg9 n ARG 92 N -0.43 3.17 0.00 4.02 5.12 -1.26 -4.40 116.66 122.88 3gg9 n ARG 92 Ca -0.05 -3.97 0.00 0.00 -1.93 0.00 0.00 57.85 51.91 3gg9 n ARG 92 Cb 0.53 -2.27 0.00 0.00 -1.16 0.00 0.00 32.46 29.56 3gg9 n ARG 92 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3gg9 n ASP 93 N -0.63 0.00 0.00 0.55 3.85 -1.26 -5.18 116.55 113.88 3gg9 n ASP 93 Ca 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.56 3gg9 n ASP 93 Cb 0.62 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.39 3gg9 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gg9 n GLY 96 N 0.02 2.64 0.05 6.12 0.00 -1.26 -5.12 105.19 107.63 3gg9 n GLY 96 Ca 0.00 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 0.34 -3.82 1.61 1.44 -1.26 -4.86 115.22 108.67 3gg9 n HIS 97 Ca 0.00 0.10 -0.36 0.00 -2.01 0.00 0.00 57.72 55.45 3gg9 n HIS 97 Cb 0.00 -0.64 -0.08 0.00 0.12 0.00 0.00 29.99 29.39 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 -3.44 5.34 -0.72 0.61 1.01 -1.26 0.04 121.20 122.77 3gg9 s ILE 98 Ca -0.05 0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.52 3gg9 s ILE 98 Cb 0.13 -3.40 0.06 0.00 0.01 0.00 0.00 42.46 39.25 3gg9 s ILE 98 CO 0.86 0.50 1.12 -0.62 0.00 0.00 0.00 174.94 176.80 3gg9 s ASP 99 N -0.07 6.20 0.39 3.58 -1.08 -0.65 -4.88 116.67 120.16 3gg9 s ASP 99 Ca 0.10 -0.84 0.19 0.00 -0.52 0.00 0.00 52.55 51.48 3gg9 s ASP 99 Cb -0.11 -2.48 0.78 0.00 -1.46 0.00 0.00 42.92 39.64 3gg9 s ASP 99 CO 0.00 -1.59 1.78 -0.07 0.52 0.00 0.00 175.17 175.81 3gg9 h LEU 100 N 12.05 0.00 -0.31 -1.34 -0.00 -1.95 -2.14 115.31 121.62 3gg9 h LEU 100 Ca -0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.56 3gg9 h LEU 100 Cb 1.06 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 3gg9 h LEU 100 CO 1.23 0.34 -0.09 -0.08 -0.00 0.00 0.00 178.44 179.84 3gg9 h GLU 101 N 0.00 0.61 -0.23 1.13 4.57 -1.99 -0.02 114.58 118.64 3gg9 h GLU 101 Ca -0.00 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 57.79 3gg9 h GLU 101 Cb 0.81 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 3gg9 h GLU 101 CO 0.04 0.80 -0.47 0.00 -1.18 0.00 0.00 179.01 178.21 3gg9 h ALA 102 N 0.79 0.75 -0.73 2.92 0.00 -1.96 -1.35 119.26 119.68 3gg9 h ALA 102 Ca 0.08 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3gg9 h ALA 102 Cb 0.58 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3gg9 h ALA 102 CO 0.03 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.22 3gg9 h THR 104 N 1.07 1.03 -0.02 0.00 2.02 -0.71 0.41 112.91 116.72 3gg9 h THR 104 Ca 0.24 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 66.95 3gg9 h THR 104 Cb 0.23 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3gg9 h THR 104 CO -0.02 0.12 0.10 0.44 0.37 0.00 0.00 175.52 176.53 3gg9 h ASP 105 N -0.36 0.00 -0.08 4.18 3.32 -1.15 -2.29 116.42 120.04 3gg9 h ASP 105 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3gg9 h ASP 105 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3gg9 h ASP 105 CO 0.02 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 3gg9 n LYS 106 N -3.16 0.98 -1.00 3.56 5.02 -0.98 -4.97 118.16 117.61 3gg9 n LYS 106 Ca -0.02 -1.32 -0.00 0.00 -2.02 0.00 0.00 58.31 54.94 3gg9 n LYS 106 Cb 0.17 -1.22 -0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3gg9 n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gg9 n GLY 107 N 0.59 0.43 3.67 0.72 0.00 -0.86 -5.01 105.19 104.72 3gg9 n GLY 107 Ca 0.07 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.00 5.02 -0.29 1.61 1.01 0.14 -4.86 120.40 121.03 3gg9 s VAL 108 Ca 0.00 1.22 -0.20 0.00 0.00 0.00 0.00 61.98 63.00 3gg9 s VAL 108 Cb 0.00 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3gg9 s VAL 108 CO 0.00 0.13 0.62 -0.69 0.00 0.00 0.00 175.10 175.16 3gg9 s VAL 109 N 1.76 4.96 -0.41 2.92 1.01 -0.92 -4.23 120.40 125.50 3gg9 s VAL 109 Ca 0.30 0.92 -0.19 0.00 0.00 0.00 0.00 61.98 63.01 3gg9 s VAL 109 Cb -0.16 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.27 3gg9 s VAL 109 CO 0.11 -0.08 0.55 -0.69 0.00 0.00 0.00 175.10 174.99 3gg9 s VAL 110 N 2.55 4.96 0.33 2.92 1.01 -1.26 -0.90 120.40 130.00 3gg9 s VAL 110 Ca 0.25 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.13 3gg9 s VAL 110 Cb -0.15 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 3gg9 s VAL 110 CO 0.11 -0.43 0.76 -0.76 0.00 0.00 0.00 175.10 174.78 3gg9 s LEU 111 N 2.50 4.08 0.02 3.92 1.43 0.11 -1.10 118.68 129.64 3gg9 s LEU 111 Ca 0.19 1.35 0.08 0.00 -1.03 0.00 0.00 54.13 54.71 3gg9 s LEU 111 Cb -0.15 -4.09 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 3gg9 s LEU 111 CO 0.16 -0.20 -0.23 -0.70 0.23 0.00 0.00 176.35 175.61 3gg9 s GLU 112 N -2.90 1.67 0.06 1.70 2.12 -0.33 -2.22 118.70 118.80 3gg9 s GLU 112 Ca 0.54 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.93 3gg9 s GLU 112 Cb -0.11 -1.74 0.00 0.00 0.26 0.00 0.00 34.13 32.54 3gg9 s GLU 112 CO 0.17 0.46 0.03 0.41 -0.54 0.00 0.00 175.26 175.79 3gg9 n GLY 113 N 2.06 3.47 3.74 -1.50 0.00 -0.15 -4.84 105.19 107.97 3gg9 n GLY 113 Ca -0.16 -2.20 -0.35 0.00 0.00 0.00 0.00 46.02 43.30 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 -2.23 4.16 0.37 1.61 -0.14 -1.26 -4.03 119.74 118.23 3gg9 s LYS 114 Ca 0.02 -0.13 -0.14 0.00 -1.36 0.00 0.00 55.97 54.36 3gg9 s LYS 114 Cb -0.00 -3.41 -0.08 0.00 -1.68 0.00 0.00 37.83 32.66 3gg9 s LYS 114 CO 0.01 0.32 0.78 0.20 -0.76 0.00 0.00 175.35 175.90 3gg9 s GLY 115 N 0.29 2.17 -0.01 -3.33 0.00 -1.26 -4.28 107.32 100.91 3gg9 s GLY 115 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.82 3gg9 s GLY 115 CO -0.00 0.20 -0.02 -0.45 0.00 0.00 0.00 173.10 172.83 3gg9 s SER 116 N -2.65 0.38 0.00 1.64 0.15 -1.26 -5.06 113.70 106.90 3gg9 s SER 116 Ca 0.54 -0.05 0.24 0.00 0.70 0.00 0.00 55.95 57.38 3gg9 s SER 116 Cb -0.10 -0.09 0.17 0.00 -1.71 0.00 0.00 66.02 64.29 3gg9 s SER 116 CO 0.23 0.00 1.24 -0.81 1.20 0.00 0.00 173.24 175.10 3gg9 n PRO 117 N 3.28 2.20 -0.03 5.44 -0.04 -1.26 -4.71 135.00 139.87 3gg9 n PRO 117 Ca -0.16 -1.83 -0.08 0.00 -0.04 0.00 0.00 63.50 61.38 3gg9 n PRO 117 Cb 0.57 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 3gg9 n PRO 117 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3gg9 h VAL 118 N 4.46 0.92 -0.64 0.52 3.04 -1.97 -2.56 116.25 120.02 3gg9 h VAL 118 Ca 0.00 -1.57 0.12 0.00 -1.01 0.00 0.00 66.70 64.23 3gg9 h VAL 118 Cb 0.97 1.69 -0.09 0.00 -2.01 0.00 0.00 31.29 31.85 3gg9 h VAL 118 CO 0.00 0.30 0.19 0.00 -1.01 0.00 0.00 177.57 177.05 3gg9 h ALA 119 N -0.44 0.81 0.00 3.17 0.00 -1.84 0.20 119.26 121.16 3gg9 h ALA 119 Ca -0.01 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3gg9 h ALA 119 Cb 0.53 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gg9 h ALA 119 CO 0.01 -0.26 -0.27 -1.00 0.00 0.00 0.00 179.25 177.73 3gg9 h PRO 120 N 0.33 0.00 -0.17 0.00 0.13 -1.62 -0.89 132.00 129.79 3gg9 h PRO 120 Ca 0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.32 3gg9 h PRO 120 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3gg9 h PRO 120 CO -0.38 0.27 -0.47 0.00 -0.23 0.00 0.00 178.00 177.18 3gg9 h ALA 121 N 1.73 0.29 -0.10 -0.56 0.00 -0.80 -1.26 119.26 118.56 3gg9 h ALA 121 Ca -0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3gg9 h ALA 121 Cb 0.75 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3gg9 h ALA 121 CO 0.03 0.44 -0.52 0.93 0.00 0.00 0.00 179.25 180.14 3gg9 h GLU 122 N 0.29 0.27 -0.34 0.00 5.08 -0.62 -1.93 114.58 117.32 3gg9 h GLU 122 Ca -0.01 -0.16 -0.17 0.00 -1.00 0.00 0.00 59.36 58.03 3gg9 h GLU 122 Cb 1.09 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 3gg9 h GLU 122 CO 0.10 0.72 -0.45 1.25 -1.00 0.00 0.00 179.01 179.63 3gg9 h LEU 123 N 0.21 0.98 -0.67 1.33 7.12 -1.19 -0.41 115.31 122.69 3gg9 h LEU 123 Ca 0.01 -0.49 0.05 0.00 0.13 0.00 0.00 57.88 57.58 3gg9 h LEU 123 Cb 0.98 -0.28 -0.05 0.00 -0.53 0.00 0.00 40.66 40.78 3gg9 h LEU 123 CO 0.08 1.28 0.38 0.74 -0.13 0.00 0.00 178.44 180.79 3gg9 h THR 124 N 0.71 0.99 -0.17 1.05 2.02 -1.00 0.43 112.91 116.94 3gg9 h THR 124 Ca 0.04 -0.24 -0.12 0.00 0.77 0.00 0.00 66.41 66.85 3gg9 h THR 124 Cb 1.05 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3gg9 h THR 124 CO 0.11 0.13 -0.38 -0.25 0.37 0.00 0.00 175.52 175.49 3gg9 h TRP 125 N 0.71 0.70 -0.83 3.16 2.91 -1.27 0.39 115.95 121.72 3gg9 h TRP 125 Ca 0.29 -0.26 0.18 0.00 1.13 0.00 0.00 58.89 60.23 3gg9 h TRP 125 Cb 0.16 -0.13 -0.11 0.00 -0.51 0.00 0.00 29.16 28.57 3gg9 h TRP 125 CO -0.07 1.01 0.34 0.00 -1.03 0.00 0.00 178.44 178.69 3gg9 h ALA 126 N 0.56 1.24 -0.07 2.65 0.00 -0.75 0.21 119.26 123.11 3gg9 h ALA 126 Ca -0.00 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3gg9 h ALA 126 Cb 0.99 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3gg9 h ALA 126 CO 0.08 -0.26 -0.68 -0.07 0.00 0.00 0.00 179.25 178.32 3gg9 h LEU 127 N 0.43 0.36 -0.29 0.00 3.38 -0.69 -0.50 115.31 118.00 3gg9 h LEU 127 Ca 0.48 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3gg9 h LEU 127 Cb 0.83 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3gg9 h LEU 127 CO -0.47 0.94 0.15 0.58 0.09 0.00 0.00 178.44 179.73 3gg9 h VAL 128 N 0.22 1.13 -0.07 1.22 2.07 0.64 -1.50 116.25 119.96 3gg9 h VAL 128 Ca -0.02 -0.36 -0.21 0.00 0.82 0.00 0.00 66.70 66.94 3gg9 h VAL 128 Cb 1.23 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3gg9 h VAL 128 CO 0.11 0.13 -0.81 0.24 0.02 0.00 0.00 177.57 177.26 3gg9 h MET 129 N 0.34 0.53 -0.81 1.57 2.86 -1.00 -1.42 114.93 117.00 3gg9 h MET 129 Ca 0.10 -0.47 0.01 0.00 -2.06 0.00 0.00 59.70 57.28 3gg9 h MET 129 Cb 0.08 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3gg9 h MET 129 CO -0.02 1.10 0.54 0.00 1.06 0.00 0.00 176.91 179.59 3gg9 h ALA 130 N 0.76 1.03 -0.04 6.32 0.00 -1.08 -1.49 119.26 124.76 3gg9 h ALA 130 Ca -0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3gg9 h ALA 130 Cb 1.42 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3gg9 h ALA 130 CO 0.15 0.43 -0.48 0.00 0.00 0.00 0.00 179.25 179.34 3gg9 h ALA 131 N 1.30 0.11 0.00 0.00 0.00 -1.23 -0.29 119.26 119.15 3gg9 h ALA 131 Ca 0.30 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3gg9 h ALA 131 Cb -0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gg9 h ALA 131 CO -0.07 0.30 -0.25 1.96 0.00 0.00 0.00 179.25 181.19 3gg9 h GLN 132 N -0.10 0.00 -0.48 0.00 1.08 -1.20 -2.38 115.11 112.03 3gg9 h GLN 132 Ca -0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3gg9 h GLN 132 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 3gg9 h GLN 132 CO 0.10 0.25 0.00 0.54 -0.95 0.00 0.00 178.83 178.76 3gg9 n ARG 133 N -4.21 2.53 -3.61 1.46 5.12 -0.57 -0.47 116.66 116.92 3gg9 n ARG 133 Ca -0.02 -2.33 -0.27 0.00 -1.93 0.00 0.00 57.85 53.30 3gg9 n ARG 133 Cb 0.30 -1.48 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 1.37 -4.63 0.00 5.56 3.00 -0.67 -4.68 116.66 116.62 3gg9 n ARG 134 Ca 0.19 0.59 -0.10 0.00 -0.01 0.00 0.00 57.85 58.53 3gg9 n ARG 134 Cb 0.57 -5.42 -0.05 0.00 0.00 0.00 0.00 32.46 27.57 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 -1.59 0.92 -0.49 0.55 1.08 -1.37 -0.15 117.51 116.46 3gg9 h ILE 135 Ca -0.52 -0.01 -0.06 0.00 -0.39 0.00 0.00 64.86 63.88 3gg9 h ILE 135 Cb 1.35 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 3gg9 h ILE 135 CO 0.61 0.00 0.07 -0.65 -0.69 0.00 0.00 178.15 177.49 3gg9 h PRO 136 N 0.02 0.77 -0.20 2.37 0.11 -1.91 -0.02 132.00 133.14 3gg9 h PRO 136 Ca 0.05 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3gg9 h PRO 136 Cb 0.06 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3gg9 h PRO 136 CO -0.09 0.74 0.01 1.96 -0.21 0.00 0.00 178.00 180.40 3gg9 h GLN 137 N 0.74 0.34 -0.64 1.05 7.50 -1.83 -0.97 115.11 121.31 3gg9 h GLN 137 Ca 0.16 -0.11 -0.04 0.00 0.50 0.00 0.00 58.65 59.16 3gg9 h GLN 137 Cb 0.35 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.82 3gg9 h GLN 137 CO 0.01 0.53 0.26 1.88 -1.50 0.00 0.00 178.83 180.01 3gg9 h TYR 138 N 0.11 0.96 -0.29 2.96 0.05 -0.90 -2.22 116.97 117.64 3gg9 h TYR 138 Ca 0.06 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 3gg9 h TYR 138 Cb 0.38 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3gg9 h TYR 138 CO 0.03 0.76 0.11 0.28 -1.05 0.00 0.00 178.16 178.28 3gg9 h VAL 139 N 0.89 1.19 -0.66 -2.88 2.07 -0.95 -2.29 116.25 113.62 3gg9 h VAL 139 Ca 0.21 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3gg9 h VAL 139 Cb 0.19 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3gg9 h VAL 139 CO -0.02 0.20 0.30 0.00 0.02 0.00 0.00 177.57 178.07 3gg9 h ALA 140 N 0.95 0.85 -0.54 1.67 0.00 -1.14 -2.53 119.26 118.53 3gg9 h ALA 140 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3gg9 h ALA 140 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gg9 h ALA 140 CO -0.01 0.44 0.23 0.77 0.00 0.00 0.00 179.25 180.68 3gg9 h SER 141 N 0.92 0.73 -0.72 0.00 0.02 -1.41 -2.77 113.55 110.32 3gg9 h SER 141 Ca 0.22 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3gg9 h SER 141 Cb 0.15 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3gg9 h SER 141 CO -0.02 0.69 0.46 0.25 -1.14 0.00 0.00 176.83 177.06 3gg9 h LEU 142 N 0.72 0.84 -1.63 5.07 5.85 -1.17 0.82 115.31 125.81 3gg9 h LEU 142 Ca 0.18 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3gg9 h LEU 142 Cb 0.18 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3gg9 h LEU 142 CO -0.02 0.62 0.13 0.11 -0.34 0.00 0.00 178.44 178.95 3gg9 h LYS 143 N 0.98 0.38 -0.03 1.25 1.57 -1.41 0.13 116.57 119.44 3gg9 h LYS 143 Ca 0.26 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3gg9 h LYS 143 Cb -0.09 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.14 3gg9 h LYS 143 CO -0.05 0.30 0.00 0.72 -0.57 0.00 0.00 179.45 179.84 3gg9 n HIS 144 N -4.44 0.04 -0.84 -1.35 8.25 -0.73 -4.92 115.22 111.23 3gg9 n HIS 144 Ca 0.01 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3gg9 n HIS 144 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 0.92 0.56 3.46 -1.41 0.00 0.03 -5.04 105.19 103.72 3gg9 n GLY 145 Ca 0.16 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.47 -0.15 4.61 0.00 0.20 -4.97 121.76 122.92 3gg9 s ALA 146 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 51.96 49.99 3gg9 s ALA 146 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 3gg9 s ALA 146 CO 0.00 -1.39 1.19 -0.46 0.00 0.00 0.00 175.76 175.10 3gg9 s TRP 147 N 1.68 3.06 -1.20 0.00 -0.11 -1.26 -3.16 118.94 117.94 3gg9 s TRP 147 Ca 0.05 1.18 -0.01 0.00 1.22 0.00 0.00 56.10 58.54 3gg9 s TRP 147 Cb -0.19 -3.42 -0.01 0.00 -1.50 0.00 0.00 33.47 28.35 3gg9 s TRP 147 CO 0.10 -1.28 0.93 0.94 -4.62 0.00 0.00 176.95 173.01 3gg9 n GLN 148 N 6.15 -5.75 -4.60 5.86 7.27 -1.26 -5.03 117.38 120.02 3gg9 n GLN 148 Ca 0.13 0.80 -0.26 0.00 0.07 0.00 0.00 57.00 57.73 3gg9 n GLN 148 Cb 0.46 -5.71 -0.17 0.00 2.41 0.00 0.00 30.24 27.23 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 -5.38 1.97 0.00 3.69 -1.52 -1.26 -5.00 119.66 112.16 3gg9 s GLN 149 Ca 0.06 -0.49 0.12 0.00 -1.95 0.00 0.00 55.36 53.09 3gg9 s GLN 149 Cb -0.01 -1.63 0.01 0.00 -0.22 0.00 0.00 33.01 31.16 3gg9 s GLN 149 CO 0.75 0.01 0.71 -1.13 -0.25 0.00 0.00 175.29 175.38 3gg9 n SER 150 N 3.92 1.39 0.00 5.90 3.41 -1.26 -4.07 113.62 122.92 3gg9 n SER 150 Ca -0.21 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 3gg9 n SER 150 Cb 0.52 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.94 0.96 2.81 5.00 0.00 -1.26 -4.75 105.19 108.90 3gg9 n GLY 151 Ca 0.05 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.48 -0.81 0.99 4.77 -1.26 -4.33 117.00 113.88 3gg9 n LEU 152 Ca 0.00 -0.22 0.07 0.00 -0.03 0.00 0.00 56.01 55.83 3gg9 n LEU 152 Cb 0.00 -2.74 0.22 0.00 -2.33 0.00 0.00 43.42 38.57 3gg9 n LEU 152 CO 0.00 0.15 0.68 2.29 -1.33 0.00 0.00 177.39 179.18 3gg9 n LYS 153 N -3.58 2.95 -2.25 3.23 2.85 -1.26 -3.96 118.16 116.13 3gg9 n LYS 153 Ca -0.12 -2.52 -0.35 0.00 -1.05 0.00 0.00 58.31 54.26 3gg9 n LYS 153 Cb 0.62 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 3gg9 n LYS 153 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3gg9 s SER 154 N -1.52 5.79 0.58 -5.58 1.04 -1.26 -4.93 113.70 107.81 3gg9 s SER 154 Ca 0.35 2.20 0.33 0.00 0.48 0.00 0.00 55.95 59.31 3gg9 s SER 154 Cb 0.25 -2.59 1.76 0.00 0.10 0.00 0.00 66.02 65.55 3gg9 s SER 154 CO 0.12 -1.17 2.17 0.71 0.98 0.00 0.00 173.24 176.05 3gg9 h THR 155 N 1.31 0.34 0.00 2.02 1.35 -1.98 -1.32 112.91 114.63 3gg9 h THR 155 Ca -0.50 -0.30 -0.06 0.00 -0.55 0.00 0.00 66.41 65.01 3gg9 h THR 155 Cb 1.26 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 3gg9 h THR 155 CO 0.57 0.05 -0.27 0.74 -0.25 0.00 0.00 175.52 176.37 3gg9 h THR 156 N 0.00 0.61 -4.24 6.82 2.02 -1.99 -3.45 112.91 112.67 3gg9 h THR 156 Ca -0.00 -1.31 -0.48 0.00 0.77 0.00 0.00 66.41 65.39 3gg9 h THR 156 Cb 0.21 1.88 0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3gg9 h THR 156 CO 0.01 0.26 0.39 -0.04 0.37 0.00 0.00 175.52 176.51 3gg9 s MET 157 N -3.53 3.83 0.79 6.66 1.00 -0.50 -4.91 119.30 122.63 3gg9 s MET 157 Ca 0.01 0.90 -0.11 0.00 0.00 0.00 0.00 55.69 56.49 3gg9 s MET 157 Cb 0.10 -2.12 0.07 0.00 0.00 0.00 0.00 34.83 32.88 3gg9 s MET 157 CO 0.66 -0.37 1.12 -2.14 0.00 0.00 0.00 175.02 174.28 3gg9 s PRO 158 N -4.41 2.03 0.39 2.03 0.02 -1.26 -4.91 135.00 128.89 3gg9 s PRO 158 Ca 0.58 1.34 -0.27 0.00 0.02 0.00 0.00 61.00 62.66 3gg9 s PRO 158 Cb -0.10 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.46 3gg9 s PRO 158 CO 0.38 -1.84 1.39 -2.14 -0.33 0.00 0.00 177.00 174.47 3gg9 s PRO 159 N -4.65 4.04 -1.28 5.54 0.02 -1.26 -2.65 135.00 134.77 3gg9 s PRO 159 Ca 0.64 2.37 -0.02 0.00 0.02 0.00 0.00 61.00 64.01 3gg9 s PRO 159 Cb -0.20 -2.88 0.01 0.00 0.02 0.00 0.00 34.50 31.46 3gg9 s PRO 159 CO 0.53 -0.51 0.17 0.09 -0.33 0.00 0.00 177.00 176.96 3gg9 n ASN 160 N 0.33 -4.47 0.21 2.53 3.02 -1.26 -4.89 115.26 110.73 3gg9 n ASN 160 Ca 0.02 -0.01 0.08 0.00 -0.03 0.00 0.00 54.58 54.64 3gg9 n ASN 160 Cb 0.41 -3.74 0.43 0.00 -0.61 0.00 0.00 39.78 36.27 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 -0.36 0.00 0.00 3.10 3.57 -1.74 -2.63 116.94 118.88 3gg9 h PHE 161 Ca -0.38 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.12 3gg9 h PHE 161 Cb 1.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 3gg9 h PHE 161 CO 0.65 0.28 -0.01 0.78 -2.23 0.00 0.00 178.31 177.79 3gg9 h GLY 162 N 1.91 0.00 -3.27 2.40 0.00 -1.75 -3.44 103.07 98.92 3gg9 h GLY 162 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 3gg9 h GLY 162 CO 0.04 0.00 -0.12 -0.26 0.00 0.00 0.00 176.54 176.20 3gg9 s ILE 163 N -3.92 4.98 0.82 2.60 -4.36 -0.99 -4.65 121.20 115.69 3gg9 s ILE 163 Ca -0.02 0.22 -0.11 0.00 -0.26 0.00 0.00 60.65 60.47 3gg9 s ILE 163 Cb 0.11 -3.70 0.09 0.00 1.25 0.00 0.00 42.46 40.21 3gg9 s ILE 163 CO 0.49 -0.26 1.13 -0.83 0.24 0.00 0.00 174.94 175.71 3gg9 s GLY 164 N -2.92 1.81 -0.06 6.27 0.00 -1.26 -4.96 107.32 106.20 3gg9 s GLY 164 Ca 0.45 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.73 3gg9 s GLY 164 CO 0.28 0.90 -0.19 0.50 0.00 0.00 0.00 173.10 174.58 3gg9 s ARG 165 N -4.60 2.10 0.51 2.90 0.52 0.38 -4.99 118.95 115.77 3gg9 s ARG 165 Ca 0.66 -0.69 -0.21 0.00 -0.52 0.00 0.00 55.73 54.97 3gg9 s ARG 165 Cb -0.21 -1.76 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 3gg9 s ARG 165 CO 0.54 0.24 1.14 0.54 0.02 0.00 0.00 175.30 177.79 3gg9 s VAL 166 N 0.09 3.15 -0.12 3.52 0.11 -1.26 -4.61 120.40 121.29 3gg9 s VAL 166 Ca -0.07 0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 3gg9 s VAL 166 Cb -0.13 -3.35 -0.26 0.00 -1.53 0.00 0.00 36.38 31.11 3gg9 s VAL 166 CO 0.03 -0.10 0.42 -0.07 -3.33 0.00 0.00 175.10 172.06 3gg9 h LEU 167 N 1.54 0.39 -9.07 2.54 3.38 -1.99 -3.45 115.31 108.65 3gg9 h LEU 167 Ca -0.50 -0.88 -0.79 0.00 0.09 0.00 0.00 57.88 55.80 3gg9 h LEU 167 Cb 1.26 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.91 3gg9 h LEU 167 CO 0.58 1.77 0.47 1.17 0.09 0.00 0.00 178.44 182.52 3gg9 n LYS 168 N -3.69 0.38 -0.67 1.13 4.81 -1.22 -1.87 118.16 117.03 3gg9 n LYS 168 Ca -0.30 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 3gg9 n LYS 168 Cb 0.98 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 34.34 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 2.94 1.42 3.95 3.14 0.00 0.53 -4.93 105.19 112.25 3gg9 n GLY 169 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.09 3.31 -0.46 1.61 -1.52 -0.78 -4.65 119.66 117.09 3gg9 s GLN 170 Ca 0.00 -0.49 -0.22 0.00 -1.95 0.00 0.00 55.36 52.70 3gg9 s GLN 170 Cb 0.00 -2.67 0.03 0.00 -0.22 0.00 0.00 33.01 30.15 3gg9 s GLN 170 CO 0.00 0.03 0.71 0.99 -0.25 0.00 0.00 175.29 176.78 3gg9 s THR 171 N -2.35 4.74 -0.64 -0.19 2.01 -1.26 0.02 115.64 117.97 3gg9 s THR 171 Ca 0.43 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.38 3gg9 s THR 171 Cb -0.10 -4.28 0.06 0.00 0.01 0.00 0.00 72.50 68.19 3gg9 s THR 171 CO 0.36 -0.69 0.99 -0.22 -0.69 0.00 0.00 174.62 174.36 3gg9 s LEU 172 N 3.05 4.18 -0.14 4.42 2.96 -0.25 1.00 118.68 133.90 3gg9 s LEU 172 Ca 0.25 -0.77 -0.28 0.00 -0.22 0.00 0.00 54.13 53.11 3gg9 s LEU 172 Cb -0.14 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 3gg9 s LEU 172 CO 0.20 -1.43 0.97 -0.83 -1.32 0.00 0.00 176.35 173.94 3gg9 s GLY 173 N 3.47 2.19 -0.20 7.98 0.00 0.17 -1.56 107.32 119.37 3gg9 s GLY 173 Ca 0.26 0.27 -0.05 0.00 0.00 0.00 0.00 44.72 45.19 3gg9 s GLY 173 CO 0.13 1.90 -0.01 -0.42 0.00 0.00 0.00 173.10 174.70 3gg9 s ILE 174 N 2.22 3.82 -0.44 0.90 -1.09 0.29 -0.98 121.20 125.93 3gg9 s ILE 174 Ca 0.45 -0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 58.43 3gg9 s ILE 174 Cb -0.17 -2.73 0.10 0.00 -1.58 0.00 0.00 42.46 38.08 3gg9 s ILE 174 CO 0.15 0.43 0.29 0.12 -1.23 0.00 0.00 174.94 174.70 3gg9 s PHE 175 N 1.07 3.40 0.00 3.97 5.99 -1.09 -1.16 117.98 130.17 3gg9 s PHE 175 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 56.93 55.16 3gg9 s PHE 175 Cb -0.14 -3.24 0.00 0.00 0.00 0.00 0.00 43.02 39.64 3gg9 s PHE 175 CO 0.01 -0.93 0.00 0.41 -0.00 0.00 0.00 175.22 174.71 3gg9 n GLY 176 N 4.88 1.60 2.56 13.12 0.00 -0.53 0.34 105.19 127.15 3gg9 n GLY 176 Ca -0.08 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 2.50 3.60 -0.54 1.61 9.36 -1.26 -4.23 117.16 128.20 3gg9 n TYR 177 Ca 0.00 -4.09 0.00 0.00 3.32 0.00 0.00 57.90 57.13 3gg9 n TYR 177 Cb 0.00 -0.53 0.00 0.00 -0.63 0.00 0.00 39.34 38.18 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 0.54 1.55 0.22 2.98 0.00 -1.26 -4.77 105.19 104.46 3gg9 n GLY 178 Ca 0.30 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.54 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 0.47 0.00 1.61 1.57 -1.95 -2.61 116.57 115.66 3gg9 h LYS 179 Ca 0.00 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3gg9 h LYS 179 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gg9 h LYS 179 CO 0.00 0.77 -0.02 0.82 -0.57 0.00 0.00 179.45 180.45 3gg9 h ILE 180 N 0.39 1.73 -1.03 1.86 2.04 -1.92 -3.17 117.51 117.41 3gg9 h ILE 180 Ca 0.04 -2.18 0.29 0.00 1.00 0.00 0.00 64.86 64.00 3gg9 h ILE 180 Cb 0.83 3.22 -0.13 0.00 -0.74 0.00 0.00 36.82 40.00 3gg9 h ILE 180 CO 0.07 0.57 0.62 1.23 0.00 0.00 0.00 178.15 180.64 3gg9 h GLY 181 N -0.91 1.77 1.15 5.37 0.00 -1.73 -2.23 103.07 106.49 3gg9 h GLY 181 Ca -0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 3gg9 h GLY 181 CO 0.00 -0.31 -0.49 0.06 0.00 0.00 0.00 176.54 175.81 3gg9 h GLN 182 N 0.43 0.91 -0.21 4.80 3.07 -1.53 -1.24 115.11 121.34 3gg9 h GLN 182 Ca 0.68 -0.54 -0.16 0.00 0.09 0.00 0.00 58.65 58.72 3gg9 h GLN 182 Cb 1.52 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 29.12 3gg9 h GLN 182 CO -0.47 1.18 -0.51 -0.07 0.09 0.00 0.00 178.83 179.05 3gg9 h LEU 183 N 0.71 0.65 -0.17 0.06 3.38 -1.40 -1.21 115.31 117.34 3gg9 h LEU 183 Ca 0.03 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 3gg9 h LEU 183 Cb 1.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3gg9 h LEU 183 CO 0.11 1.04 -0.29 0.58 0.09 0.00 0.00 178.44 179.97 3gg9 h VAL 184 N 0.47 1.35 -0.38 1.22 2.07 -1.42 -2.21 116.25 117.35 3gg9 h VAL 184 Ca 0.02 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.04 3gg9 h VAL 184 Cb 1.05 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 3gg9 h VAL 184 CO 0.10 0.46 0.26 0.00 0.02 0.00 0.00 177.57 178.41 3gg9 h ALA 185 N 0.58 1.88 -0.23 1.67 0.00 -1.15 -1.61 119.26 120.40 3gg9 h ALA 185 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gg9 h ALA 185 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3gg9 h ALA 185 CO 0.07 0.06 0.12 0.78 0.00 0.00 0.00 179.25 180.28 3gg9 h GLY 186 N 0.38 0.36 0.60 0.00 0.00 -1.03 -2.29 103.07 101.08 3gg9 h GLY 186 Ca 0.16 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.38 3gg9 h GLY 186 CO -0.04 0.17 0.28 -0.97 0.00 0.00 0.00 176.54 175.98 3gg9 h TYR 187 N 0.25 0.50 -0.25 5.60 0.99 -0.68 0.79 116.97 124.19 3gg9 h TYR 187 Ca 0.08 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.88 3gg9 h TYR 187 Cb 0.10 -0.14 -0.04 0.00 1.00 0.00 0.00 36.73 37.65 3gg9 h TYR 187 CO -0.03 0.21 -0.04 0.78 -0.00 0.00 0.00 178.16 179.08 3gg9 h GLY 188 N 0.52 0.20 1.02 3.88 0.00 -1.37 0.07 103.07 107.38 3gg9 h GLY 188 Ca 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 3gg9 h GLY 188 CO -0.21 -0.08 0.49 -0.09 0.00 0.00 0.00 176.54 176.64 3gg9 h ARG 189 N 0.02 1.15 0.00 4.80 9.65 -0.78 0.35 114.38 129.57 3gg9 h ARG 189 Ca 0.12 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3gg9 h ARG 189 Cb 0.17 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3gg9 h ARG 189 CO -0.24 0.82 0.00 0.00 2.80 0.00 0.00 179.97 183.35 3gg9 n ALA 190 N -2.37 2.09 0.88 2.80 0.00 0.21 -1.96 120.51 122.16 3gg9 n ALA 190 Ca 0.08 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gg9 n ALA 190 Cb 0.07 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 18.25 3gg9 n ALA 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3gg9 n PHE 191 N -1.48 0.06 -1.07 0.00 3.72 -0.03 -4.97 117.46 113.70 3gg9 n PHE 191 Ca 0.06 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3gg9 n PHE 191 Cb 0.27 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.32 0.75 3.88 1.37 0.00 -0.77 -3.40 105.19 108.34 3gg9 n GLY 192 Ca 0.14 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.32 3.75 -0.62 1.61 -1.94 0.12 -0.35 119.30 119.55 3gg9 s MET 193 Ca 0.00 0.48 -0.23 0.00 -1.71 0.00 0.00 55.69 54.23 3gg9 s MET 193 Cb 0.00 -2.35 0.06 0.00 2.01 0.00 0.00 34.83 34.54 3gg9 s MET 193 CO 0.00 -0.10 0.97 1.21 -0.01 0.00 0.00 175.02 177.08 3gg9 s ASN 194 N -3.33 6.24 -0.19 3.03 2.47 0.10 -4.45 114.94 118.81 3gg9 s ASN 194 Ca 0.51 -0.69 -0.23 0.00 0.42 0.00 0.00 52.86 52.87 3gg9 s ASN 194 Cb -0.10 -2.43 -0.02 0.00 -1.45 0.00 0.00 41.25 37.25 3gg9 s ASN 194 CO 0.34 -1.37 0.74 -0.69 -3.72 0.00 0.00 177.10 172.40 3gg9 s VAL 195 N 4.09 4.94 -0.01 -5.21 1.01 -1.26 -1.09 120.40 122.87 3gg9 s VAL 195 Ca 0.26 1.42 0.04 0.00 0.00 0.00 0.00 61.98 63.70 3gg9 s VAL 195 Cb -0.15 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 3gg9 s VAL 195 CO 0.14 0.05 -0.12 -0.76 0.00 0.00 0.00 175.10 174.42 3gg9 s LEU 196 N 2.13 2.90 0.13 3.92 1.43 -0.60 -3.98 118.68 124.61 3gg9 s LEU 196 Ca 0.33 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 3gg9 s LEU 196 Cb -0.16 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3gg9 s LEU 196 CO 0.11 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.11 3gg9 s VAL 197 N -0.88 2.72 0.20 -1.59 1.01 -0.15 -0.54 120.40 121.17 3gg9 s VAL 197 Ca 0.14 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 3gg9 s VAL 197 Cb -0.11 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3gg9 s VAL 197 CO 0.04 0.06 0.29 0.86 0.00 0.00 0.00 175.10 176.35 3gg9 s TRP 198 N -1.22 0.63 -5.00 5.22 -0.11 -0.31 -0.01 118.94 118.14 3gg9 s TRP 198 Ca 0.18 -0.96 0.00 0.00 1.22 0.00 0.00 56.10 56.54 3gg9 s TRP 198 Cb -0.10 -0.15 0.00 0.00 -1.50 0.00 0.00 33.47 31.72 3gg9 s TRP 198 CO 0.10 -0.78 0.00 0.41 -4.62 0.00 0.00 176.95 172.06 3gg9 n GLY 199 N -0.28 0.00 3.59 5.86 0.00 -1.26 -1.46 105.19 111.65 3gg9 n GLY 199 Ca -0.03 -1.55 -0.36 0.00 0.00 0.00 0.00 46.02 44.09 3gg9 n GLY 199 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3gg9 n ARG 200 N 0.00 0.50 -0.33 1.61 0.63 -1.26 -4.70 116.66 113.12 3gg9 n ARG 200 Ca 0.00 0.22 0.21 0.00 -0.92 0.00 0.00 57.85 57.36 3gg9 n ARG 200 Cb 0.00 -2.16 0.40 0.00 0.45 0.00 0.00 32.46 31.16 3gg9 n ARG 200 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3gg9 h GLU 201 N -0.21 0.07 -0.03 -0.14 4.57 -2.00 0.24 114.58 117.09 3gg9 h GLU 201 Ca -0.47 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.59 3gg9 h GLU 201 Cb 1.34 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 3gg9 h GLU 201 CO 0.47 0.05 -0.54 -0.91 -1.18 0.00 0.00 179.01 176.89 3gg9 h ASN 202 N 0.07 0.08 0.10 1.04 4.21 -2.00 -2.47 115.58 116.61 3gg9 h ASN 202 Ca 0.68 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 58.15 3gg9 h ASN 202 Cb 1.57 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 38.75 3gg9 h ASN 202 CO -0.79 0.60 -0.05 0.28 -1.29 0.00 0.00 177.43 176.18 3gg9 h SER 203 N 0.06 -0.11 -0.51 5.81 0.02 -1.26 -2.64 113.55 114.92 3gg9 h SER 203 Ca -0.00 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3gg9 h SER 203 Cb 0.97 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.45 3gg9 h SER 203 CO 0.07 -0.01 -0.01 0.11 -1.14 0.00 0.00 176.83 175.85 3gg9 h LYS 204 N -0.20 0.10 -0.20 3.45 1.79 -1.36 -1.42 116.57 118.72 3gg9 h LYS 204 Ca -0.01 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 3gg9 h LYS 204 Cb 0.16 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 3gg9 h LYS 204 CO 0.02 0.07 0.07 0.93 -1.08 0.00 0.00 179.45 179.46 3gg9 h GLU 205 N 0.10 0.17 -0.33 3.15 5.08 -1.39 -0.02 114.58 121.34 3gg9 h GLU 205 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3gg9 h GLU 205 Cb 0.40 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3gg9 h GLU 205 CO -0.44 0.11 0.12 0.00 -1.00 0.00 0.00 179.01 177.80 3gg9 h ARG 206 N 0.17 0.46 -0.01 2.33 3.08 -1.18 -0.79 114.38 118.44 3gg9 h ARG 206 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3gg9 h ARG 206 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3gg9 h ARG 206 CO -0.08 0.39 -0.07 0.00 -1.07 0.00 0.00 179.97 179.14 3gg9 h ALA 207 N 1.68 0.02 -0.97 0.04 0.00 -0.65 -2.30 119.26 117.08 3gg9 h ALA 207 Ca 0.11 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3gg9 h ALA 207 Cb 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3gg9 h ALA 207 CO -0.01 -0.08 0.62 0.00 0.00 0.00 0.00 179.25 179.78 3gg9 h ARG 208 N -0.61 1.00 -0.07 0.00 3.08 -0.95 0.76 114.38 117.59 3gg9 h ARG 208 Ca -0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3gg9 h ARG 208 Cb 0.77 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3gg9 h ARG 208 CO 0.01 0.66 -0.07 0.00 -1.07 0.00 0.00 179.97 179.51 3gg9 h ALA 209 N 1.51 1.75 -0.01 0.04 0.00 -1.13 -1.28 119.26 120.14 3gg9 h ALA 209 Ca 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3gg9 h ALA 209 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gg9 h ALA 209 CO -0.20 0.19 -0.16 -0.25 0.00 0.00 0.00 179.25 178.83 3gg9 n ASP 210 N -4.39 1.63 0.00 0.00 8.00 -0.68 -4.96 116.55 116.15 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 0.18 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.29 0.55 3.71 0.44 0.00 0.05 -5.02 105.19 106.21 3gg9 n GLY 211 Ca 0.15 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 3.65 0.25 1.61 0.40 0.01 -4.95 117.98 116.95 3gg9 s PHE 212 Ca 0.00 1.61 -0.31 0.00 -0.60 0.00 0.00 56.93 57.63 3gg9 s PHE 212 Cb 0.00 -3.05 -0.11 0.00 0.51 0.00 0.00 43.02 40.37 3gg9 s PHE 212 CO 0.00 0.02 1.63 0.00 0.70 0.00 0.00 175.22 177.58 3gg9 s ALA 213 N 0.91 3.82 -0.05 5.36 0.00 -1.26 -3.79 121.76 126.75 3gg9 s ALA 213 Ca 0.49 1.55 -0.05 0.00 0.00 0.00 0.00 51.96 53.94 3gg9 s ALA 213 Cb -0.20 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.22 3gg9 s ALA 213 CO 0.26 -0.93 0.18 0.14 0.00 0.00 0.00 175.76 175.40 3gg9 s VAL 214 N 0.54 5.45 0.87 0.00 -7.23 -1.26 -0.97 120.40 117.80 3gg9 s VAL 214 Ca 0.68 0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.77 3gg9 s VAL 214 Cb -0.48 -3.49 0.11 0.00 0.56 0.00 0.00 36.38 33.08 3gg9 s VAL 214 CO 0.40 0.45 1.09 0.00 -0.31 0.00 0.00 175.10 176.73 3gg9 n ALA 215 N 1.40 -0.66 -0.14 1.32 0.00 0.98 -4.83 120.51 118.57 3gg9 n ALA 215 Ca -0.15 -0.46 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 3gg9 n ALA 215 Cb 0.54 -2.17 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 3gg9 n ALA 215 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3gg9 h GLU 216 N -1.41 0.79 -4.13 0.00 4.81 -1.94 -3.46 114.58 109.24 3gg9 h GLU 216 Ca -0.44 -0.30 -0.22 0.00 -0.13 0.00 0.00 59.36 58.26 3gg9 h GLU 216 Cb 1.29 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.52 3gg9 h GLU 216 CO 0.42 0.92 -0.27 -1.54 -0.73 0.00 0.00 179.01 177.81 3gg9 s SER 217 N -6.40 0.54 0.19 1.04 1.04 -1.26 -5.00 113.70 103.85 3gg9 s SER 217 Ca -0.12 -1.33 -0.10 0.00 0.48 0.00 0.00 55.95 54.87 3gg9 s SER 217 Cb 0.10 0.58 0.10 0.00 0.10 0.00 0.00 66.02 66.91 3gg9 s SER 217 CO 0.82 -1.15 1.73 0.50 0.98 0.00 0.00 173.24 176.11 3gg9 h LYS 218 N 2.25 1.02 -0.78 4.02 3.64 -1.99 -2.51 116.57 122.22 3gg9 h LYS 218 Ca -0.29 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 58.92 3gg9 h LYS 218 Cb 1.24 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 3gg9 h LYS 218 CO 0.40 0.88 0.49 -0.44 -2.27 0.00 0.00 179.45 178.51 3gg9 h ASP 219 N 0.96 0.81 -0.76 4.20 3.32 -1.97 -2.66 116.42 120.31 3gg9 h ASP 219 Ca 0.22 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3gg9 h ASP 219 Cb 0.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3gg9 h ASP 219 CO -0.01 0.56 0.35 0.00 -1.72 0.00 0.00 179.24 178.41 3gg9 h ALA 220 N 1.33 0.98 -0.89 3.45 0.00 -1.90 -0.30 119.26 121.92 3gg9 h ALA 220 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gg9 h ALA 220 Cb 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3gg9 h ALA 220 CO -0.12 0.56 0.56 1.25 0.00 0.00 0.00 179.25 181.50 3gg9 h LEU 221 N 1.07 1.05 -0.13 0.00 5.85 -1.17 0.11 115.31 122.10 3gg9 h LEU 221 Ca 0.26 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.70 3gg9 h LEU 221 Cb 0.14 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3gg9 h LEU 221 CO -0.03 0.78 -0.99 -0.26 -0.34 0.00 0.00 178.44 177.60 3gg9 h PHE 222 N 1.22 0.59 -0.09 1.25 -1.00 -1.16 -2.79 116.94 114.95 3gg9 h PHE 222 Ca 0.32 -0.33 -0.10 0.00 2.81 0.00 0.00 57.97 60.66 3gg9 h PHE 222 Cb -0.09 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 3gg9 h PHE 222 CO 0.00 1.17 -0.41 0.93 -1.61 0.00 0.00 178.31 178.39 3gg9 h GLU 223 N 0.20 0.21 0.00 1.51 5.08 -0.78 -3.27 114.58 117.52 3gg9 h GLU 223 Ca -0.09 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3gg9 h GLU 223 Cb 1.64 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3gg9 h GLU 223 CO 0.17 0.59 -1.65 1.04 -1.00 0.00 0.00 179.01 178.16 3gg9 n GLN 224 N -4.03 0.66 -2.69 2.33 6.02 0.00 -4.51 117.38 115.17 3gg9 n GLN 224 Ca -0.02 -0.14 -0.34 0.00 -0.01 0.00 0.00 57.00 56.50 3gg9 n GLN 224 Cb 0.47 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 3gg9 n GLN 224 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3gg9 s SER 225 N -3.85 6.70 -0.25 1.08 0.01 -1.05 -4.77 113.70 111.56 3gg9 s SER 225 Ca -0.04 1.82 0.01 0.00 1.31 0.00 0.00 55.95 59.05 3gg9 s SER 225 Cb 0.12 -2.55 -0.16 0.00 0.21 0.00 0.00 66.02 63.64 3gg9 s SER 225 CO 0.77 -0.53 -0.23 0.47 0.41 0.00 0.00 173.24 174.13 3gg9 n ASP 226 N -0.68 2.04 -4.04 2.44 8.00 0.28 -4.63 116.55 119.95 3gg9 n ASP 226 Ca 0.08 -0.10 -0.31 0.00 0.71 0.00 0.00 54.79 55.16 3gg9 n ASP 226 Cb 0.53 -0.42 -0.16 0.00 -0.02 0.00 0.00 41.12 41.05 3gg9 n ASP 226 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gg9 s VAL 227 N -2.50 1.90 -0.28 2.53 1.01 -0.79 -0.26 120.40 122.00 3gg9 s VAL 227 Ca -0.34 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 60.36 3gg9 s VAL 227 Cb 0.09 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3gg9 s VAL 227 CO 0.57 0.18 0.10 -0.22 0.00 0.00 0.00 175.10 175.73 3gg9 s LEU 228 N 1.28 3.79 -0.29 3.92 0.20 0.39 -0.65 118.68 127.31 3gg9 s LEU 228 Ca -0.02 -0.48 -0.03 0.00 0.69 0.00 0.00 54.13 54.29 3gg9 s LEU 228 Cb -0.17 -1.93 0.04 0.00 -0.43 0.00 0.00 46.19 43.70 3gg9 s LEU 228 CO -0.08 -0.14 -0.00 -0.55 -0.29 0.00 0.00 176.35 175.29 3gg9 s SER 229 N 1.57 4.78 -0.07 3.68 0.15 -0.15 -0.38 113.70 123.27 3gg9 s SER 229 Ca 0.05 -1.06 -0.28 0.00 0.70 0.00 0.00 55.95 55.36 3gg9 s SER 229 Cb -0.16 -1.73 -0.02 0.00 -1.71 0.00 0.00 66.02 62.39 3gg9 s SER 229 CO 0.04 -0.22 0.90 0.54 1.20 0.00 0.00 173.24 175.70 3gg9 s VAL 230 N 1.32 4.89 -0.45 4.45 0.11 -0.36 -2.68 120.40 127.69 3gg9 s VAL 230 Ca -0.02 1.84 0.08 0.00 -2.93 0.00 0.00 61.98 60.95 3gg9 s VAL 230 Cb -0.18 -4.22 0.26 0.00 -1.53 0.00 0.00 36.38 30.70 3gg9 s VAL 230 CO -0.01 0.11 0.59 1.41 -3.33 0.00 0.00 175.10 173.87 3gg9 n HIS 231 N 4.42 0.64 -4.31 1.54 8.25 0.15 -4.35 115.22 121.58 3gg9 n HIS 231 Ca 0.05 -3.72 -0.25 0.00 -0.26 0.00 0.00 57.72 53.54 3gg9 n HIS 231 Cb 0.50 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.59 3.00 0.07 2.41 1.43 -1.25 -4.22 118.68 118.53 3gg9 s LEU 232 Ca 0.37 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.75 3gg9 s LEU 232 Cb 0.18 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 3gg9 s LEU 232 CO -0.09 0.07 0.36 -0.13 0.23 0.00 0.00 176.35 176.80 3gg9 s ARG 233 N -3.12 3.69 0.08 1.70 1.81 -1.26 -4.67 118.95 117.18 3gg9 s ARG 233 Ca 0.27 0.06 -0.30 0.00 -1.72 0.00 0.00 55.73 54.04 3gg9 s ARG 233 Cb -0.08 -2.99 -0.05 0.00 -0.45 0.00 0.00 34.95 31.38 3gg9 s ARG 233 CO 0.16 0.56 1.06 -1.17 -0.68 0.00 0.00 175.30 175.24 3gg9 s LEU 234 N -2.02 4.42 0.00 2.53 2.96 -1.26 -4.70 118.68 120.61 3gg9 s LEU 234 Ca 0.33 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3gg9 s LEU 234 Cb -0.13 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3gg9 s LEU 234 CO 0.19 -0.27 0.00 -0.46 -1.32 0.00 0.00 176.35 174.48 3gg9 n ASN 235 N 3.36 0.00 0.21 3.68 0.23 -1.26 -5.00 115.26 116.49 3gg9 n ASN 235 Ca 0.05 -0.38 0.09 0.00 -0.53 0.00 0.00 54.58 53.82 3gg9 n ASN 235 Cb 0.48 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.58 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 0.00 0.00 0.58 0.53 5.19 -1.96 -2.46 116.42 118.30 3gg9 h ASP 236 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 3gg9 h ASP 236 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 3gg9 h ASP 236 CO 0.00 0.24 -1.29 -0.08 -3.12 0.00 0.00 179.24 174.99 3gg9 h GLU 237 N 0.00 0.31 0.00 3.56 4.57 -1.96 -3.38 114.58 117.68 3gg9 h GLU 237 Ca -0.00 -0.53 0.00 0.00 -1.18 0.00 0.00 59.36 57.65 3gg9 h GLU 237 Cb 0.84 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 3gg9 h GLU 237 CO 0.03 1.25 -0.95 0.25 -1.18 0.00 0.00 179.01 178.41 3gg9 n THR 238 N -3.55 0.00 -1.95 0.32 -2.24 -1.20 -4.72 114.28 100.94 3gg9 n THR 238 Ca -0.10 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3gg9 n THR 238 Cb 1.04 0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 70.22 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 -2.87 4.10 -1.45 -0.78 3.52 -0.93 -1.99 118.95 118.56 3gg9 s ARG 239 Ca 0.07 2.20 -0.05 0.00 -0.13 0.00 0.00 55.73 57.82 3gg9 s ARG 239 Cb 0.15 -4.03 0.02 0.00 -1.56 0.00 0.00 34.95 29.53 3gg9 s ARG 239 CO 0.81 -0.95 0.46 0.43 -0.81 0.00 0.00 175.30 175.24 3gg9 n SER 240 N 7.47 -5.16 -0.35 -2.12 7.64 -0.44 -4.91 113.62 115.75 3gg9 n SER 240 Ca 0.18 -0.24 -0.03 0.00 1.01 0.00 0.00 58.87 59.79 3gg9 n SER 240 Cb 0.43 -4.22 0.10 0.00 -1.01 0.00 0.00 64.21 59.50 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 -1.00 1.25 -3.59 0.44 2.10 -0.74 -3.41 117.51 112.57 3gg9 h ILE 241 Ca -0.47 -0.50 -0.63 0.00 1.08 0.00 0.00 64.86 64.34 3gg9 h ILE 241 Cb 1.33 -0.12 -0.14 0.00 -1.09 0.00 0.00 36.82 36.80 3gg9 h ILE 241 CO 0.54 0.25 0.01 -0.63 -1.08 0.00 0.00 178.15 177.24 3gg9 s ILE 242 N -6.05 5.01 0.48 2.19 1.01 0.19 -5.03 121.20 118.99 3gg9 s ILE 242 Ca -0.13 0.59 0.08 0.00 0.00 0.00 0.00 60.65 61.19 3gg9 s ILE 242 Cb 0.17 -3.94 0.03 0.00 0.01 0.00 0.00 42.46 38.73 3gg9 s ILE 242 CO 0.82 -0.13 0.56 0.28 0.00 0.00 0.00 174.94 176.47 3gg9 s THR 243 N 2.44 2.49 0.32 2.92 -1.32 -1.26 -2.14 115.64 119.08 3gg9 s THR 243 Ca 0.21 -1.15 0.18 0.00 -1.21 0.00 0.00 61.69 59.72 3gg9 s THR 243 Cb -0.15 -2.64 0.15 0.00 -1.51 0.00 0.00 72.50 68.35 3gg9 s THR 243 CO 0.12 0.00 1.86 1.62 -2.21 0.00 0.00 174.62 176.01 3gg9 h VAL 244 N 0.62 0.97 -0.16 5.08 3.04 -1.93 -2.21 116.25 121.66 3gg9 h VAL 244 Ca -0.37 -1.17 -0.11 0.00 -1.01 0.00 0.00 66.70 64.04 3gg9 h VAL 244 Cb 1.28 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 3gg9 h VAL 244 CO 0.49 0.31 -0.37 0.00 -1.01 0.00 0.00 177.57 176.98 3gg9 h ALA 245 N 1.69 1.06 -0.21 3.17 0.00 -1.97 0.06 119.26 123.06 3gg9 h ALA 245 Ca -0.00 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 3gg9 h ALA 245 Cb 0.66 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gg9 h ALA 245 CO 0.04 0.59 -0.12 -0.44 0.00 0.00 0.00 179.25 179.32 3gg9 h ASP 246 N 0.30 0.46 -0.00 0.00 3.45 -1.89 -3.16 116.42 115.57 3gg9 h ASP 246 Ca 0.03 -0.43 -0.15 0.00 0.43 0.00 0.00 57.03 56.91 3gg9 h ASP 246 Cb 0.80 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 3gg9 h ASP 246 CO 0.06 0.79 -0.50 -0.07 -1.57 0.00 0.00 179.24 177.95 3gg9 h LEU 247 N 0.14 0.62 0.00 1.55 3.38 -1.20 -2.25 115.31 117.54 3gg9 h LEU 247 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3gg9 h LEU 247 Cb 0.62 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3gg9 h LEU 247 CO 0.03 1.01 0.00 0.35 0.09 0.00 0.00 178.44 179.93 3gg9 n THR 248 N -3.98 0.21 0.29 0.22 -2.24 -0.01 -2.07 114.28 106.69 3gg9 n THR 248 Ca -0.03 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 3gg9 n THR 248 Cb 0.58 -0.67 0.21 0.00 -2.10 0.00 0.00 70.33 68.35 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 -7.31 -0.78 3.08 -1.36 -3.47 114.38 104.53 3gg9 h ARG 249 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3gg9 h ARG 249 Cb 0.17 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.35 3gg9 h ARG 249 CO 0.00 0.00 0.33 -1.64 -1.07 0.00 0.00 179.97 177.59 3gg9 s MET 250 N -3.19 2.36 0.45 0.04 -1.94 -0.88 -4.07 119.30 112.07 3gg9 s MET 250 Ca 0.08 1.15 -0.25 0.00 -1.71 0.00 0.00 55.69 54.96 3gg9 s MET 250 Cb 0.06 -1.91 -0.08 0.00 2.01 0.00 0.00 34.83 34.92 3gg9 s MET 250 CO 0.66 -1.56 1.33 0.15 -0.01 0.00 0.00 175.02 175.59 3gg9 s LYS 251 N -4.88 3.72 0.64 2.03 1.02 -1.26 -4.67 119.74 116.35 3gg9 s LYS 251 Ca 0.61 2.20 0.26 0.00 0.02 0.00 0.00 55.97 59.06 3gg9 s LYS 251 Cb -0.17 -2.61 1.42 0.00 -0.52 0.00 0.00 37.83 35.95 3gg9 s LYS 251 CO 0.55 -0.71 1.79 -1.35 -0.92 0.00 0.00 175.35 174.71 3gg9 h PRO 252 N 2.30 0.00 -0.02 -1.68 0.11 -1.93 -1.91 132.00 128.88 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3gg9 h PRO 252 CO 0.61 0.00 -0.02 0.25 -0.21 0.00 0.00 178.00 178.63 3gg9 n THR 253 N -2.79 0.00 -2.36 -1.15 -2.24 -1.26 -3.13 114.28 101.35 3gg9 n THR 253 Ca -0.02 -0.49 -0.32 0.00 -2.27 0.00 0.00 64.05 60.95 3gg9 n THR 253 Cb 0.43 1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.37 3.10 -0.23 6.98 0.00 -0.72 -4.69 121.76 124.83 3gg9 s ALA 254 Ca 0.18 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 3gg9 s ALA 254 Cb 0.13 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 3gg9 s ALA 254 CO 0.21 -0.29 -0.01 -1.17 0.00 0.00 0.00 175.76 174.50 3gg9 s LEU 255 N -4.23 3.09 -0.23 0.00 2.96 0.64 -1.66 118.68 119.26 3gg9 s LEU 255 Ca 0.58 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.91 3gg9 s LEU 255 Cb -0.10 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 3gg9 s LEU 255 CO 0.35 -0.04 0.47 0.12 -1.32 0.00 0.00 176.35 175.93 3gg9 s PHE 256 N 1.50 3.33 -0.18 5.38 5.36 -0.35 -0.46 117.98 132.56 3gg9 s PHE 256 Ca 0.05 0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 56.67 3gg9 s PHE 256 Cb -0.15 -2.64 -0.00 0.00 -0.34 0.00 0.00 43.02 39.89 3gg9 s PHE 256 CO -0.02 -0.14 -0.12 0.08 -1.46 0.00 0.00 175.22 173.56 3gg9 s VAL 257 N 1.79 2.88 -0.31 3.12 1.01 0.49 -0.49 120.40 128.89 3gg9 s VAL 257 Ca 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3gg9 s VAL 257 Cb -0.15 -2.25 0.10 0.00 0.00 0.00 0.00 36.38 34.07 3gg9 s VAL 257 CO 0.09 0.49 0.08 0.21 0.00 0.00 0.00 175.10 175.97 3gg9 s ASN 258 N 1.08 4.16 -0.21 3.32 2.47 -0.65 -1.22 114.94 123.89 3gg9 s ASN 258 Ca 0.00 -1.72 0.15 0.00 0.42 0.00 0.00 52.86 51.72 3gg9 s ASN 258 Cb -0.15 -1.04 0.65 0.00 -1.45 0.00 0.00 41.25 39.26 3gg9 s ASN 258 CO -0.03 -0.40 1.56 0.35 -3.72 0.00 0.00 177.10 174.87 3gg9 n THR 259 N 4.71 2.51 0.00 -5.21 -2.24 -1.26 -2.24 114.28 110.56 3gg9 n THR 259 Ca -0.01 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.03 3gg9 n THR 259 Cb 0.42 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.13 0.00 -3.69 3.42 7.64 -1.26 -4.89 113.62 114.71 3gg9 n SER 260 Ca 0.25 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.00 3gg9 n SER 260 Cb 1.04 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.64 0.51 1.43 1.81 -1.26 -4.95 118.95 117.13 3gg9 s ARG 261 Ca 0.00 0.63 0.33 0.00 -1.72 0.00 0.00 55.73 54.97 3gg9 s ARG 261 Cb 0.00 0.31 1.40 0.00 -0.45 0.00 0.00 34.95 36.21 3gg9 s ARG 261 CO 0.00 -0.10 1.97 0.00 -0.68 0.00 0.00 175.30 176.50 3gg9 h ALA 262 N 5.06 1.00 -0.00 2.13 0.00 -1.83 -3.29 119.26 122.33 3gg9 h ALA 262 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gg9 h ALA 262 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gg9 h ALA 262 CO 0.21 0.00 -0.19 0.39 0.00 0.00 0.00 179.25 179.66 3gg9 n GLU 263 N -2.94 0.05 0.29 0.00 4.71 -1.26 -3.11 120.64 118.37 3gg9 n GLU 263 Ca 0.00 -0.01 0.16 0.00 -0.01 0.00 0.00 57.16 57.30 3gg9 n GLU 263 Cb 0.27 -1.50 0.89 0.00 -1.01 0.00 0.00 31.44 30.09 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 0.03 0.00 -9.50 -4.62 3.38 -1.76 -1.16 115.31 101.67 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 0.49 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.15 3gg9 h LEU 264 CO 0.00 0.05 -0.46 -0.69 0.09 0.00 0.00 178.44 177.43 3gg9 s VAL 265 N -4.21 5.44 0.56 1.22 1.01 -1.18 -0.64 120.40 122.61 3gg9 s VAL 265 Ca -0.03 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.99 3gg9 s VAL 265 Cb 0.13 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3gg9 s VAL 265 CO 0.53 0.55 1.32 -1.83 0.00 0.00 0.00 175.10 175.67 3gg9 s GLU 266 N -0.50 3.05 0.31 2.72 -1.05 -0.91 -4.64 118.70 117.68 3gg9 s GLU 266 Ca 0.13 2.14 -0.30 0.00 -0.15 0.00 0.00 54.97 56.79 3gg9 s GLU 266 Cb -0.12 -2.16 -0.12 0.00 -0.44 0.00 0.00 34.13 31.30 3gg9 s GLU 266 CO 0.02 -1.23 1.52 -1.91 0.95 0.00 0.00 175.26 174.61 3gg9 n GLU 267 N -1.22 2.56 -1.42 -4.83 2.13 -1.26 -1.29 120.64 115.32 3gg9 n GLU 267 Ca 0.12 0.91 -0.15 0.00 0.66 0.00 0.00 57.16 58.70 3gg9 n GLU 267 Cb 0.46 -2.65 -0.06 0.00 0.27 0.00 0.00 31.44 29.46 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 1.66 -4.07 -0.05 4.31 3.02 -1.26 -4.86 115.26 114.01 3gg9 n ASN 268 Ca 0.07 0.36 -0.11 0.00 -0.03 0.00 0.00 54.58 54.87 3gg9 n ASN 268 Cb 0.36 -3.67 -0.10 0.00 -0.61 0.00 0.00 39.78 35.77 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 -0.03 0.21 7.41 0.00 -1.54 -2.51 103.07 106.60 3gg9 h GLY 269 Ca -0.30 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.14 3gg9 h GLY 269 CO 0.44 -0.01 0.07 1.98 0.00 0.00 0.00 176.54 179.02 3gg9 h MET 270 N -0.93 0.19 -0.35 4.80 1.85 -1.89 0.17 114.93 118.77 3gg9 h MET 270 Ca -0.00 -0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.13 3gg9 h MET 270 Cb 0.74 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.68 3gg9 h MET 270 CO 0.00 0.13 0.06 0.28 -0.40 0.00 0.00 176.91 176.98 3gg9 h VAL 271 N 0.20 0.81 -0.20 -5.77 2.07 -1.94 0.22 116.25 111.63 3gg9 h VAL 271 Ca 0.28 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 3gg9 h VAL 271 Cb 0.41 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3gg9 h VAL 271 CO -0.40 0.03 -0.03 0.74 0.02 0.00 0.00 177.57 177.94 3gg9 h THR 272 N 0.18 1.27 -0.22 2.57 2.02 -0.93 -1.29 112.91 116.51 3gg9 h THR 272 Ca 0.17 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.43 3gg9 h THR 272 Cb 0.20 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3gg9 h THR 272 CO -0.23 0.30 -0.23 0.00 0.37 0.00 0.00 175.52 175.73 3gg9 h ALA 273 N 0.76 -0.12 -0.18 6.16 0.00 -0.51 -2.15 119.26 123.21 3gg9 h ALA 273 Ca 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3gg9 h ALA 273 Cb 0.46 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3gg9 h ALA 273 CO 0.02 -0.66 -0.31 -0.07 0.00 0.00 0.00 179.25 178.23 3gg9 h LEU 274 N -0.24 0.37 -1.55 0.00 3.38 -0.92 -2.13 115.31 114.21 3gg9 h LEU 274 Ca 0.13 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gg9 h LEU 274 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3gg9 h LEU 274 CO -0.36 0.66 -0.22 0.78 0.09 0.00 0.00 178.44 179.39 3gg9 h ASN 275 N 0.31 0.00 1.27 -0.43 2.35 -0.98 -3.01 115.58 115.09 3gg9 h ASN 275 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3gg9 h ASN 275 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 3gg9 h ASN 275 CO 0.05 0.22 -0.74 0.03 -1.65 0.00 0.00 177.43 175.34 3gg9 h ARG 276 N 0.00 0.00 0.00 0.81 -0.00 -0.82 -3.49 114.38 110.89 3gg9 h ARG 276 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3gg9 h ARG 276 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.48 3gg9 h ARG 276 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 179.97 180.47 3gg9 n GLY 277 N 1.18 1.25 2.70 0.04 0.00 -0.86 -5.08 105.19 104.43 3gg9 n GLY 277 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.50 0.03 1.25 1.61 0.52 -1.12 -4.15 118.95 116.60 3gg9 s ARG 278 Ca 0.00 0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 55.27 3gg9 s ARG 278 Cb 0.00 -1.01 0.31 0.00 0.52 0.00 0.00 34.95 34.77 3gg9 s ARG 278 CO 0.00 -0.49 1.03 -1.25 0.02 0.00 0.00 175.30 174.61 3gg9 s PRO 279 N 2.21 -1.61 0.11 3.54 0.04 -1.18 -3.80 135.00 134.30 3gg9 s PRO 279 Ca 0.04 0.25 0.09 0.00 0.04 0.00 0.00 61.00 61.41 3gg9 s PRO 279 Cb -0.14 -1.52 -0.19 0.00 0.04 0.00 0.00 34.50 32.69 3gg9 s PRO 279 CO -0.07 -4.04 1.20 0.78 0.04 0.00 0.00 177.00 174.92 3gg9 h GLY 280 N -2.82 0.00 -4.30 0.56 0.00 -1.26 -3.42 103.07 91.83 3gg9 h GLY 280 Ca -0.49 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 3gg9 h GLY 280 CO 0.38 0.00 -0.16 -0.29 0.00 0.00 0.00 176.54 176.47 3gg9 s MET 281 N -2.72 0.78 0.14 4.80 -2.45 -0.96 -4.85 119.30 114.03 3gg9 s MET 281 Ca 0.00 -0.14 0.06 0.00 -1.25 0.00 0.00 55.69 54.37 3gg9 s MET 281 Cb 0.09 0.35 -0.04 0.00 1.25 0.00 0.00 34.83 36.49 3gg9 s MET 281 CO 0.81 -0.23 -0.14 0.00 1.05 0.00 0.00 175.02 176.51 3gg9 s ALA 282 N -1.48 1.59 -0.17 4.11 0.00 -0.25 -1.21 121.76 124.35 3gg9 s ALA 282 Ca -0.12 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 3gg9 s ALA 282 Cb -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.05 3gg9 s ALA 282 CO 0.04 0.10 -0.03 0.00 0.00 0.00 0.00 175.76 175.87 3gg9 s ALA 283 N -2.31 1.33 -0.08 0.00 0.00 0.35 -0.98 121.76 120.07 3gg9 s ALA 283 Ca 0.12 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3gg9 s ALA 283 Cb -0.04 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3gg9 s ALA 283 CO 0.03 -0.88 -0.14 0.42 0.00 0.00 0.00 175.76 175.20 3gg9 s ILE 284 N 1.70 1.31 -0.41 0.00 -1.09 -0.25 -1.64 121.20 120.83 3gg9 s ILE 284 Ca 0.00 -0.57 0.09 0.00 -2.23 0.00 0.00 60.65 57.94 3gg9 s ILE 284 Cb -0.16 -1.19 -0.10 0.00 -1.58 0.00 0.00 42.46 39.44 3gg9 s ILE 284 CO -0.07 0.40 0.37 -0.67 -1.23 0.00 0.00 174.94 173.73 3gg9 n ASP 285 N 3.90 0.51 -4.00 3.58 2.03 -0.95 -1.08 116.55 120.54 3gg9 n ASP 285 Ca -0.21 -0.68 -0.20 0.00 0.52 0.00 0.00 54.79 54.22 3gg9 n ASP 285 Cb 0.52 1.01 -0.15 0.00 -0.72 0.00 0.00 41.12 41.78 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 -1.87 0.74 0.08 5.18 -7.23 -1.25 -1.63 120.40 114.42 3gg9 s VAL 286 Ca 0.03 -0.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.88 3gg9 s VAL 286 Cb 0.07 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 3gg9 s VAL 286 CO 0.37 0.23 -0.09 -0.36 -0.31 0.00 0.00 175.10 174.93 3gg9 s PHE 287 N 0.12 0.93 0.19 2.82 0.08 -1.26 -4.45 117.98 116.40 3gg9 s PHE 287 Ca -0.02 -0.62 -0.13 0.00 0.12 0.00 0.00 56.93 56.28 3gg9 s PHE 287 Cb -0.07 -0.52 0.19 0.00 -0.57 0.00 0.00 43.02 42.04 3gg9 s PHE 287 CO 0.00 -0.04 1.70 0.93 -0.10 0.00 0.00 175.22 177.71 3gg9 h GLU 288 N 3.88 0.16 -4.78 0.44 3.07 -1.99 -3.40 114.58 111.95 3gg9 h GLU 288 Ca -0.37 -0.01 -0.63 0.00 -0.50 0.00 0.00 59.36 57.85 3gg9 h GLU 288 Cb 1.19 -0.04 -0.36 0.00 -0.84 0.00 0.00 28.75 28.71 3gg9 h GLU 288 CO 0.49 0.10 -0.84 0.99 -1.40 0.00 0.00 179.01 178.36 3gg9 s THR 289 N -6.16 1.77 -0.04 1.13 2.01 -1.26 -5.06 115.64 108.04 3gg9 s THR 289 Ca -0.13 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.07 3gg9 s THR 289 Cb 0.16 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 3gg9 s THR 289 CO 0.72 0.40 -0.22 -1.61 -0.69 0.00 0.00 174.62 173.22 3gg9 s GLU 290 N 1.39 2.11 0.81 4.92 2.02 -1.26 -3.82 118.70 124.87 3gg9 s GLU 290 Ca 0.03 -0.81 -0.13 0.00 0.02 0.00 0.00 54.97 54.09 3gg9 s GLU 290 Cb -0.14 -1.88 0.08 0.00 0.10 0.00 0.00 34.13 32.29 3gg9 s GLU 290 CO -0.11 0.39 1.18 -2.14 0.02 0.00 0.00 175.26 174.61 3gg9 s PRO 291 N -0.26 1.66 0.22 0.39 0.02 -1.26 -5.08 135.00 130.69 3gg9 s PRO 291 Ca 0.01 1.67 0.04 0.00 0.02 0.00 0.00 61.00 62.74 3gg9 s PRO 291 Cb -0.11 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3gg9 s PRO 291 CO 0.02 -2.18 0.35 0.96 -0.33 0.00 0.00 177.00 175.82 3gg9 s ILE 292 N -2.27 5.27 0.48 2.83 -4.36 -1.25 -5.13 121.20 116.77 3gg9 s ILE 292 Ca 0.71 -0.88 -0.06 0.00 -0.26 0.00 0.00 60.65 60.17 3gg9 s ILE 292 Cb -0.27 -3.83 -0.04 0.00 1.25 0.00 0.00 42.46 39.58 3gg9 s ILE 292 CO 0.51 -0.28 0.79 -0.76 0.24 0.00 0.00 174.94 175.44 3gg9 s LEU 293 N -3.81 3.62 0.66 0.37 1.02 -1.26 -4.98 118.68 114.31 3gg9 s LEU 293 Ca 0.35 0.95 0.38 0.00 0.02 0.00 0.00 54.13 55.83 3gg9 s LEU 293 Cb -0.10 -3.91 2.09 0.00 0.02 0.00 0.00 46.19 44.30 3gg9 s LEU 293 CO 0.29 -0.58 2.20 0.06 0.02 0.00 0.00 176.35 178.34 3gg9 h GLN 294 N 0.25 0.00 -0.64 1.70 -0.00 -2.02 -1.60 115.11 112.80 3gg9 h GLN 294 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 3gg9 h GLN 294 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 3gg9 h GLN 294 CO 0.62 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.86 3gg9 n GLY 295 N -1.16 2.55 3.72 0.06 0.00 -1.26 -4.67 105.19 104.43 3gg9 n GLY 295 Ca -0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.10 2.88 0.18 1.61 2.46 -0.60 -4.87 115.29 114.84 3gg9 s HIS 296 Ca 0.46 0.42 -0.14 0.00 0.47 0.00 0.00 55.06 56.27 3gg9 s HIS 296 Cb 0.32 -4.05 0.17 0.00 -0.13 0.00 0.00 32.58 28.89 3gg9 s HIS 296 CO 0.19 -4.00 1.71 1.15 -2.47 0.00 0.00 174.74 171.32 3gg9 h THR 297 N 4.01 0.73 -0.13 0.89 2.02 -1.92 -0.64 112.91 117.87 3gg9 h THR 297 Ca -0.43 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3gg9 h THR 297 Cb 1.20 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3gg9 h THR 297 CO 0.94 0.04 0.02 -0.07 0.37 0.00 0.00 175.52 176.81 3gg9 h LEU 298 N 0.21 -0.01 -1.91 2.58 3.38 -1.96 -2.60 115.31 115.00 3gg9 h LEU 298 Ca 0.23 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.30 3gg9 h LEU 298 Cb 0.31 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3gg9 h LEU 298 CO -0.32 0.01 0.23 0.25 0.09 0.00 0.00 178.44 178.71 3gg9 h LEU 299 N 0.07 0.10 -0.84 1.67 5.85 -1.71 -1.39 115.31 119.05 3gg9 h LEU 299 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3gg9 h LEU 299 Cb 0.06 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3gg9 h LEU 299 CO -0.09 0.06 0.00 0.03 -0.34 0.00 0.00 178.44 178.11 3gg9 h ARG 300 N 0.11 0.00 -5.76 1.25 2.47 -0.74 -3.45 114.38 108.27 3gg9 h ARG 300 Ca 0.15 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.29 3gg9 h ARG 300 Cb 0.47 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.71 3gg9 h ARG 300 CO -0.02 0.00 0.15 -1.64 0.56 0.00 0.00 179.97 179.02 3gg9 s MET 301 N -3.40 4.26 0.31 0.04 -1.94 -0.53 -4.97 119.30 113.08 3gg9 s MET 301 Ca 0.04 0.71 0.07 0.00 -1.71 0.00 0.00 55.69 54.80 3gg9 s MET 301 Cb 0.09 -3.55 0.79 0.00 2.01 0.00 0.00 34.83 34.17 3gg9 s MET 301 CO 0.46 -0.20 1.76 1.49 -0.01 0.00 0.00 175.02 178.52 3gg9 h GLU 302 N 7.32 0.68 -0.96 2.03 4.81 -1.87 -2.45 114.58 124.15 3gg9 h GLU 302 Ca -0.33 -0.04 -0.48 0.00 -0.13 0.00 0.00 59.36 58.38 3gg9 h GLU 302 Cb 1.15 -0.15 -0.29 0.00 0.63 0.00 0.00 28.75 30.09 3gg9 h GLU 302 CO 0.78 0.45 0.60 0.27 -0.73 0.00 0.00 179.01 180.38 3gg9 n ASN 303 N -4.81 3.82 -3.80 1.04 6.94 -1.26 -4.71 115.26 112.47 3gg9 n ASN 303 Ca 0.25 -3.58 -0.26 0.00 -0.02 0.00 0.00 54.58 50.96 3gg9 n ASN 303 Cb 0.64 -0.82 -0.17 0.00 -2.36 0.00 0.00 39.78 37.06 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 1.81 4.75 -0.19 0.00 1.01 -0.16 -4.81 121.20 123.62 3gg9 s ILE 305 Ca 0.01 0.72 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 3gg9 s ILE 305 Cb -0.15 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3gg9 s ILE 305 CO -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 174.94 174.40 3gg9 s THR 307 N 0.82 3.14 -1.33 0.00 -4.23 -0.24 -5.00 115.64 108.80 3gg9 s THR 307 Ca 0.00 -1.35 -0.10 0.00 -1.18 0.00 0.00 61.69 59.07 3gg9 s THR 307 Cb -0.14 -2.45 0.13 0.00 1.34 0.00 0.00 72.50 71.37 3gg9 s THR 307 CO 0.02 0.12 2.05 -0.81 -0.54 0.00 0.00 174.62 175.46 3gg9 n PRO 308 N 0.80 3.62 -3.91 3.99 -0.04 -1.26 -4.31 135.00 133.88 3gg9 n PRO 308 Ca -0.14 -3.30 -0.41 0.00 -0.04 0.00 0.00 63.50 59.61 3gg9 n PRO 308 Cb 0.52 -2.94 0.03 0.00 -0.04 0.00 0.00 33.50 31.07 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 3.95 -1.61 0.53 0.54 -0.00 -0.64 -4.90 115.22 113.10 3gg9 n HIS 309 Ca 0.46 0.23 0.11 0.00 0.46 0.00 0.00 57.72 58.99 3gg9 n HIS 309 Cb 0.35 -3.05 0.16 0.00 -0.12 0.00 0.00 29.99 27.33 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 -4.68 0.32 -0.32 3.57 -5.35 -1.26 -4.59 119.36 107.04 3gg9 n ILE 310 Ca -0.10 -0.66 0.16 0.00 -0.27 0.00 0.00 62.75 61.88 3gg9 n ILE 310 Cb 0.57 1.17 0.32 0.00 -1.74 0.00 0.00 39.64 39.96 3gg9 n ILE 310 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3gg9 h GLY 311 N 4.35 1.39 -1.36 3.28 0.00 -1.90 -0.01 103.07 108.83 3gg9 h GLY 311 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3gg9 h GLY 311 CO 0.00 -0.49 0.00 -1.72 0.00 0.00 0.00 176.54 174.33 3gg9 n TYR 312 N -5.36 0.15 -2.85 5.60 4.01 -1.26 -2.62 117.16 114.82 3gg9 n TYR 312 Ca 0.24 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.90 57.43 3gg9 n TYR 312 Cb 0.78 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.79 3gg9 n TYR 312 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3gg9 s VAL 313 N -1.22 4.63 -0.09 -0.72 1.01 -0.02 -4.47 120.40 119.52 3gg9 s VAL 313 Ca 0.21 -1.72 -0.13 0.00 0.00 0.00 0.00 61.98 60.34 3gg9 s VAL 313 Cb 0.14 -4.88 0.03 0.00 0.00 0.00 0.00 36.38 31.67 3gg9 s VAL 313 CO 0.20 -1.64 0.34 -0.70 0.00 0.00 0.00 175.10 173.30 3gg9 s GLU 314 N 2.89 0.51 0.49 2.72 -6.30 -1.26 -4.97 118.70 112.77 3gg9 s GLU 314 Ca 0.38 0.24 0.25 0.00 -2.50 0.00 0.00 54.97 53.34 3gg9 s GLU 314 Cb -0.03 0.24 1.31 0.00 0.00 0.00 0.00 34.13 35.64 3gg9 s GLU 314 CO -0.06 -0.10 1.90 -0.09 0.02 0.00 0.00 175.26 176.93 3gg9 h ARG 315 N 4.94 0.16 0.02 4.30 2.43 -1.99 0.67 114.38 124.91 3gg9 h ARG 315 Ca -0.28 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 58.55 3gg9 h ARG 315 Cb 1.18 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.65 3gg9 h ARG 315 CO 0.33 0.10 -1.98 0.39 -1.51 0.00 0.00 179.97 177.31 3gg9 n GLU 316 N -4.38 0.67 0.05 0.20 1.02 -1.26 -2.20 120.64 114.74 3gg9 n GLU 316 Ca 0.17 0.21 -0.11 0.00 -0.02 0.00 0.00 57.16 57.40 3gg9 n GLU 316 Cb 0.78 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 3gg9 n GLU 316 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 3gg9 h SER 317 N 0.01 -0.15 -0.57 1.62 0.02 -1.75 -2.91 113.55 109.82 3gg9 h SER 317 Ca -0.39 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3gg9 h SER 317 Cb 2.06 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 64.63 3gg9 h SER 317 CO 0.06 -0.08 0.36 1.88 -1.14 0.00 0.00 176.83 177.91 3gg9 h TYR 318 N -0.09 0.69 -0.83 3.45 -1.99 -0.97 0.50 116.97 117.73 3gg9 h TYR 318 Ca 0.02 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 3gg9 h TYR 318 Cb 0.12 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.58 3gg9 h TYR 318 CO -0.12 0.41 0.49 0.93 -0.00 0.00 0.00 178.16 179.87 3gg9 h GLU 319 N 0.73 1.13 0.01 4.88 4.39 -1.50 -2.39 114.58 121.84 3gg9 h GLU 319 Ca 0.22 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3gg9 h GLU 319 Cb -0.04 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 3gg9 h GLU 319 CO -0.07 0.80 -0.01 1.98 -1.16 0.00 0.00 179.01 180.56 3gg9 h MET 320 N 1.14 -0.02 -0.88 2.33 4.05 -1.26 -2.17 114.93 118.12 3gg9 h MET 320 Ca 0.30 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.86 3gg9 h MET 320 Cb -0.03 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.68 3gg9 h MET 320 CO -0.05 0.46 0.48 1.88 0.23 0.00 0.00 176.91 179.91 3gg9 h TYR 321 N -0.99 0.85 0.00 1.39 0.05 -0.06 -0.47 116.97 117.74 3gg9 h TYR 321 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3gg9 h TYR 321 Cb 0.48 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3gg9 h TYR 321 CO 0.13 0.23 -0.71 0.74 -1.05 0.00 0.00 178.16 177.49 3gg9 h PHE 322 N 0.69 0.00 -0.27 4.88 0.04 -1.59 -2.88 116.94 117.81 3gg9 h PHE 322 Ca 0.48 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.19 3gg9 h PHE 322 Cb 0.66 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 3gg9 h PHE 322 CO -0.07 0.00 -0.08 0.78 -0.60 0.00 0.00 178.31 178.34 3gg9 h GLY 323 N 4.12 0.57 0.84 -1.45 0.00 -0.53 -2.21 103.07 104.41 3gg9 h GLY 323 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3gg9 h GLY 323 CO 0.00 0.44 0.01 -2.22 0.00 0.00 0.00 176.54 174.76 3gg9 h ILE 324 N 0.27 1.25 -0.17 2.60 2.04 -1.23 -2.28 117.51 119.99 3gg9 h ILE 324 Ca 0.07 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 65.00 3gg9 h ILE 324 Cb 0.56 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3gg9 h ILE 324 CO 0.03 0.27 -0.13 0.00 0.00 0.00 0.00 178.15 178.32 3gg9 h ALA 325 N 0.81 1.46 0.18 1.87 0.00 -1.52 0.17 119.26 122.24 3gg9 h ALA 325 Ca 0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 3gg9 h ALA 325 Cb 0.39 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.12 3gg9 h ALA 325 CO 0.01 0.38 -1.35 0.74 0.00 0.00 0.00 179.25 179.02 3gg9 h PHE 326 N 0.26 0.95 -0.18 0.00 0.04 -1.43 -3.14 116.94 113.45 3gg9 h PHE 326 Ca 0.05 -0.65 -0.12 0.00 2.80 0.00 0.00 57.97 60.05 3gg9 h PHE 326 Cb 0.39 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 3gg9 h PHE 326 CO 0.01 1.50 -0.42 0.37 -0.60 0.00 0.00 178.31 179.17 3gg9 h GLN 327 N 0.20 0.41 -0.91 1.51 5.75 -1.12 -1.90 115.11 119.05 3gg9 h GLN 327 Ca -0.21 -0.21 0.04 0.00 -0.15 0.00 0.00 58.65 58.12 3gg9 h GLN 327 Cb 2.04 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 30.54 3gg9 h GLN 327 CO 0.25 0.76 0.60 -0.91 -2.65 0.00 0.00 178.83 176.88 3gg9 h ASN 328 N 0.34 0.96 -0.45 -0.69 4.21 -0.74 0.39 115.58 119.60 3gg9 h ASN 328 Ca 0.03 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.48 3gg9 h ASN 328 Cb 0.88 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.84 3gg9 h ASN 328 CO 0.07 0.65 0.08 0.40 -1.29 0.00 0.00 177.43 177.34 3gg9 h ILE 329 N 1.11 1.25 -0.47 2.81 2.04 -1.44 -1.99 117.51 120.82 3gg9 h ILE 329 Ca 0.37 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.23 3gg9 h ILE 329 Cb 0.07 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3gg9 h ILE 329 CO -0.12 0.32 -0.11 -0.07 0.00 0.00 0.00 178.15 178.16 3gg9 h LEU 330 N 0.62 0.84 -0.79 1.44 3.38 -0.53 -2.65 115.31 117.61 3gg9 h LEU 330 Ca 0.14 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3gg9 h LEU 330 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3gg9 h LEU 330 CO 0.01 0.97 -0.42 0.44 0.09 0.00 0.00 178.44 179.52 3gg9 h ASP 331 N 0.76 0.41 0.38 -0.43 3.32 -0.22 -3.17 116.42 117.48 3gg9 h ASP 331 Ca 0.13 -0.18 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 3gg9 h ASP 331 Cb 0.62 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3gg9 h ASP 331 CO 0.04 0.79 -0.51 -0.29 -1.72 0.00 0.00 179.24 177.55 3gg9 h ILE 332 N 0.32 1.36 -0.08 0.35 6.09 -1.20 -2.13 117.51 122.22 3gg9 h ILE 332 Ca 0.03 -1.77 -0.02 0.00 -1.37 0.00 0.00 64.86 61.72 3gg9 h ILE 332 Cb 0.88 1.89 -0.01 0.00 0.47 0.00 0.00 36.82 40.05 3gg9 h ILE 332 CO 0.07 0.52 0.03 0.18 -3.07 0.00 0.00 178.15 175.88 3gg9 n LEU 333 N -3.93 2.25 -0.11 2.19 4.77 -1.01 -2.54 117.00 118.62 3gg9 n LEU 333 Ca -0.02 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 3gg9 n LEU 333 Cb 0.54 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3gg9 n LEU 333 CO 0.42 0.40 0.29 0.00 -1.33 0.00 0.00 177.39 177.16 3gg9 n GLN 334 N 0.17 0.34 -0.03 3.23 1.13 -0.84 -5.01 117.38 116.37 3gg9 n GLN 334 Ca 0.04 -0.78 0.00 0.00 -1.94 0.00 0.00 57.00 54.33 3gg9 n GLN 334 Cb 0.46 -0.58 0.00 0.00 0.11 0.00 0.00 30.24 30.23 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 -0.10 2.46 3.60 1.08 0.00 -1.05 -4.96 105.19 106.22 3gg9 n GLY 335 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.65 6.18 -0.16 1.61 3.84 -0.98 -4.90 114.94 116.88 3gg9 s ASN 336 Ca 0.00 1.11 0.14 0.00 0.21 0.00 0.00 52.86 54.32 3gg9 s ASN 336 Cb 0.00 -2.53 0.36 0.00 -0.55 0.00 0.00 41.25 38.53 3gg9 s ASN 336 CO 0.00 -1.51 1.19 1.33 -2.79 0.00 0.00 177.10 175.32 3gg9 n VAL 337 N 7.11 1.89 -0.24 -5.21 0.24 -1.26 -3.30 118.33 117.56 3gg9 n VAL 337 Ca 0.19 -2.68 0.04 0.00 -2.04 0.00 0.00 64.34 59.85 3gg9 n VAL 337 Cb 0.47 -0.14 0.28 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.65 0.82 -0.03 -1.34 5.19 -1.95 -2.81 116.42 116.94 3gg9 h ASP 338 Ca -0.01 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3gg9 h ASP 338 Cb 1.07 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.40 3gg9 h ASP 338 CO 0.01 0.55 0.00 -1.54 -3.12 0.00 0.00 179.24 175.14 3gg9 n SER 339 N -4.47 0.66 -4.59 6.45 3.41 -1.26 -4.83 113.62 108.99 3gg9 n SER 339 Ca 0.11 -1.35 -0.43 0.00 -0.26 0.00 0.00 58.87 56.94 3gg9 n SER 339 Cb 0.16 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.96 3.97 0.27 -3.33 1.01 -1.06 -1.19 120.40 118.10 3gg9 s VAL 340 Ca 0.38 0.94 0.28 0.00 0.00 0.00 0.00 61.98 63.58 3gg9 s VAL 340 Cb 0.19 -4.42 0.29 0.00 0.00 0.00 0.00 36.38 32.44 3gg9 s VAL 340 CO 0.30 -0.99 1.98 0.00 0.00 0.00 0.00 175.10 176.39 3gg9 h ALA 341 N 10.28 1.11 -3.18 5.51 0.00 -1.44 -3.35 119.26 128.20 3gg9 h ALA 341 Ca -0.26 -0.12 -0.63 0.00 0.00 0.00 0.00 54.91 53.90 3gg9 h ALA 341 Cb 1.08 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 3gg9 h ALA 341 CO 1.13 0.17 -0.61 0.54 0.00 0.00 0.00 179.25 180.48 3gg9 s ASN 342 N -6.03 4.51 0.39 0.00 4.22 -1.26 -4.97 114.94 111.79 3gg9 s ASN 342 Ca -0.01 -3.47 0.12 0.00 -2.14 0.00 0.00 52.86 47.37 3gg9 s ASN 342 Cb 0.11 -1.59 0.79 0.00 1.28 0.00 0.00 41.25 41.84 3gg9 s ASN 342 CO 0.59 -0.15 1.87 -0.65 -2.04 0.00 0.00 177.10 176.72 3gg9 h PRO 343 N 5.88 0.04 -0.13 3.55 0.11 -1.97 -2.61 132.00 136.88 3gg9 h PRO 343 Ca 0.05 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.19 3gg9 h PRO 343 Cb 0.82 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3gg9 h PRO 343 CO 0.69 0.34 0.15 1.15 -0.21 0.00 0.00 178.00 180.11 3gg9 h THR 344 N 0.04 0.48 0.00 -1.15 2.02 -1.95 -1.54 112.91 110.81 3gg9 h THR 344 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gg9 h THR 344 Cb 0.54 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3gg9 h THR 344 CO 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.92 3gg9 h ALA 345 N 1.83 1.02 0.00 6.16 0.00 -1.69 -2.29 119.26 124.28 3gg9 h ALA 345 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gg9 h ALA 345 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gg9 h ALA 345 CO -0.00 0.01 -0.07 -0.07 0.00 0.00 0.00 179.25 179.13 3gg9 h LEU 346 N 0.00 0.00-10.11 0.00 3.38 -1.46 -3.41 115.31 103.70 3gg9 h LEU 346 Ca -0.00 -0.02 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 3gg9 h LEU 346 Cb 0.33 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.19 3gg9 h LEU 346 CO 0.00 0.01 0.45 0.00 0.09 0.00 0.00 178.44 178.99 3gg9 s ALA 347 N -3.12 2.51 0.51 1.53 0.00 -0.86 -4.97 121.76 117.35 3gg9 s ALA 347 Ca 0.10 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 3gg9 s ALA 347 Cb 0.12 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 3gg9 s ALA 347 CO 0.62 -1.19 1.29 -0.35 0.00 0.00 0.00 175.76 176.12 3gg9 n PRO 348 N -1.74 1.71 -0.24 0.00 -0.04 -1.26 -4.74 135.00 128.69 3gg9 n PRO 348 Ca 0.13 0.62 0.20 0.00 -0.04 0.00 0.00 63.50 64.41 3gg9 n PRO 348 Cb 0.50 -2.47 0.53 0.00 -0.04 0.00 0.00 33.50 32.02 3gg9 n PRO 348 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gg9 h ALA 349 N 1.59 2.26 -0.79 0.55 0.00 -1.93 -1.40 119.26 119.54 3gg9 h ALA 349 Ca -0.50 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3gg9 h ALA 349 Cb 1.31 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3gg9 h ALA 349 CO 0.57 -0.55 0.52 -0.07 0.00 0.00 0.00 179.25 179.73 3gg9 h LEU 350 N 0.37 0.77 0.00 0.00 3.38 -2.03 -3.29 115.31 114.51 3gg9 h LEU 350 Ca 0.47 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.08 3gg9 h LEU 350 Cb 1.23 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 3gg9 h LEU 350 CO -0.17 0.50 -2.40 -0.38 0.09 0.00 0.00 178.44 176.08 3gg9 n ILE 351 N -4.48 1.40 1.41 1.22 2.08 -0.59 -5.28 119.36 115.12 3gg9 n ILE 351 Ca 0.12 -0.65 0.11 0.00 0.56 0.00 0.00 62.75 62.89 3gg9 n ILE 351 Cb 0.20 -1.06 0.67 0.00 -0.75 0.00 0.00 39.64 38.70 3gg9 n ILE 351 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00