#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk0 s PHE 4 N 0.00 -0.56 -0.09 -5.13 -0.71 -1.26 -5.00 117.98 105.23 3gk0 s PHE 4 Ca 0.00 0.60 -0.16 0.00 -1.04 0.00 0.00 56.93 56.33 3gk0 s PHE 4 Cb 0.00 0.48 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 3gk0 s PHE 4 CO 0.00 -0.75 0.41 -0.51 -1.34 0.00 0.00 175.22 173.04 3gk0 s LEU 5 N -2.16 4.34 -0.03 -1.99 1.43 -1.26 -5.08 118.68 113.94 3gk0 s LEU 5 Ca -0.04 0.80 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 3gk0 s LEU 5 Cb -0.01 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 3gk0 s LEU 5 CO -0.04 0.13 0.98 0.28 0.23 0.00 0.00 176.35 177.93 3gk0 s THR 6 N 0.00 4.85 -0.08 5.49 -1.32 -1.26 -5.05 115.64 118.27 3gk0 s THR 6 Ca 0.23 2.04 -0.05 0.00 -1.21 0.00 0.00 61.69 62.71 3gk0 s THR 6 Cb -0.15 -4.31 0.04 0.00 -1.51 0.00 0.00 72.50 66.56 3gk0 s THR 6 CO 0.10 0.13 0.20 0.42 -2.21 0.00 0.00 174.62 173.26 3gk0 s THR 7 N 1.24 -0.03 -0.05 5.08 -4.23 -1.26 -5.06 115.64 111.33 3gk0 s THR 7 Ca 0.51 0.12 0.28 0.00 -1.18 0.00 0.00 61.69 61.42 3gk0 s THR 7 Cb -0.20 -0.31 0.29 0.00 1.34 0.00 0.00 72.50 73.62 3gk0 s THR 7 CO 0.25 0.05 1.86 1.55 -0.54 0.00 0.00 174.62 177.79 3gk0 h PRO 8 N 6.84 0.00 0.00 3.99 0.13 -1.96 -2.92 132.00 138.08 3gk0 h PRO 8 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3gk0 h PRO 8 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3gk0 h PRO 8 CO 0.39 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.16 3gk0 n ALA 9 N -1.87 2.01 0.20 -0.56 0.00 -1.26 -3.83 120.51 115.19 3gk0 n ALA 9 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.41 3gk0 n ALA 9 Cb 0.11 -1.36 0.49 0.00 0.00 0.00 0.00 19.45 18.70 3gk0 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gk0 h ALA 10 N 2.75 1.69 -2.13 0.00 0.00 -1.92 -3.43 119.26 116.21 3gk0 h ALA 10 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3gk0 h ALA 10 Cb 0.38 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 17.91 3gk0 h ALA 10 CO 0.00 0.23 -0.11 -1.50 0.00 0.00 0.00 179.25 177.88 3gk0 s ILE 11 N -4.73 -0.40 0.21 0.00 2.07 -1.25 -5.02 121.20 112.08 3gk0 s ILE 11 Ca -0.04 0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.03 3gk0 s ILE 11 Cb 0.16 -0.92 -0.08 0.00 0.13 0.00 0.00 42.46 41.75 3gk0 s ILE 11 CO 0.70 0.01 0.70 -1.81 -1.91 0.00 0.00 174.94 172.63 3gk0 s ASP 12 N 2.12 7.03 -0.18 4.50 1.01 -0.71 -4.87 116.67 125.58 3gk0 s ASP 12 Ca -0.08 1.37 -0.02 0.00 0.71 0.00 0.00 52.55 54.54 3gk0 s ASP 12 Cb -0.08 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 3gk0 s ASP 12 CO -0.18 0.05 -0.10 -0.22 0.21 0.00 0.00 175.17 174.93 3gk0 s LEU 13 N -1.92 2.70 -0.21 1.23 2.96 -1.26 -1.65 118.68 120.53 3gk0 s LEU 13 Ca 0.42 -0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 53.82 3gk0 s LEU 13 Cb -0.17 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 3gk0 s LEU 13 CO 0.21 0.06 0.13 -0.83 -1.32 0.00 0.00 176.35 174.60 3gk0 s GLY 14 N 0.98 1.99 -0.25 7.98 0.00 0.00 -0.10 107.32 117.93 3gk0 s GLY 14 Ca -0.01 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 3gk0 s GLY 14 CO -0.01 0.22 0.17 0.14 0.00 0.00 0.00 173.10 173.62 3gk0 s VAL 15 N 0.63 5.35 -0.22 1.40 1.01 -0.77 -0.19 120.40 127.60 3gk0 s VAL 15 Ca 0.07 0.18 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 3gk0 s VAL 15 Cb -0.12 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3gk0 s VAL 15 CO 0.01 0.33 0.45 0.21 0.00 0.00 0.00 175.10 176.09 3gk0 s ASN 16 N 1.19 6.44 -0.02 3.32 3.84 0.08 0.30 114.94 130.10 3gk0 s ASN 16 Ca 0.07 0.53 0.21 0.00 0.21 0.00 0.00 52.86 53.88 3gk0 s ASN 16 Cb -0.14 -2.25 0.62 0.00 -0.55 0.00 0.00 41.25 38.92 3gk0 s ASN 16 CO 0.06 -0.16 1.52 2.30 -2.79 0.00 0.00 177.10 178.02 3gk0 n ILE 17 N 4.68 1.11 -0.11 -5.21 -5.35 -0.52 -4.47 119.36 109.50 3gk0 n ILE 17 Ca -0.06 -1.03 -0.05 0.00 -0.27 0.00 0.00 62.75 61.33 3gk0 n ILE 17 Cb 0.51 0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.86 3gk0 n ILE 17 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3gk0 h ASP 18 N 3.98 -0.49 0.66 7.28 5.19 -1.94 -2.37 116.42 128.73 3gk0 h ASP 18 Ca 0.00 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3gk0 h ASP 18 Cb 1.02 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3gk0 h ASP 18 CO 0.03 -0.17 0.00 1.41 -3.12 0.00 0.00 179.24 177.39 3gk0 n HIS 19 N -5.33 0.00 -0.06 4.55 8.25 -1.26 -0.72 115.22 120.64 3gk0 n HIS 19 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 3gk0 n HIS 19 Cb 0.24 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 30.91 3gk0 n HIS 19 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gk0 h VAL 20 N 0.00 1.29 -0.62 1.59 2.07 -1.77 -2.66 116.25 116.15 3gk0 h VAL 20 Ca 0.00 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 3gk0 h VAL 20 Cb 0.33 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3gk0 h VAL 20 CO 0.00 0.54 0.34 0.00 0.02 0.00 0.00 177.57 178.47 3gk0 h ALA 21 N 0.83 0.79 -0.79 1.67 0.00 -0.93 -1.23 119.26 119.60 3gk0 h ALA 21 Ca 0.03 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3gk0 h ALA 21 Cb 1.06 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 3gk0 h ALA 21 CO 0.10 0.31 0.43 1.15 0.00 0.00 0.00 179.25 181.24 3gk0 h THR 22 N 0.84 0.84 -0.26 0.00 2.02 -1.25 0.15 112.91 115.25 3gk0 h THR 22 Ca 0.22 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 3gk0 h THR 22 Cb 0.04 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 3gk0 h THR 22 CO -0.03 0.13 -0.23 0.25 0.37 0.00 0.00 175.52 176.00 3gk0 h LEU 23 N 0.69 0.65 -0.35 2.58 5.85 -1.10 -2.65 115.31 120.98 3gk0 h LEU 23 Ca 0.40 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3gk0 h LEU 23 Cb 0.44 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3gk0 h LEU 23 CO -0.28 0.98 0.19 -0.09 -0.34 0.00 0.00 178.44 178.89 3gk0 h ARG 24 N 0.33 0.49 0.00 1.25 2.43 -0.79 -2.91 114.38 115.18 3gk0 h ARG 24 Ca 0.04 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 3gk0 h ARG 24 Cb 0.78 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3gk0 h ARG 24 CO 0.06 0.41 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.88 3gk0 h ASN 25 N 0.45 0.00 -0.89 -3.80 4.21 -0.94 -2.24 115.58 112.36 3gk0 h ASN 25 Ca 0.12 0.00 0.13 0.00 1.21 0.00 0.00 56.30 57.76 3gk0 h ASN 25 Cb 0.06 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.17 3gk0 h ASN 25 CO -0.02 0.14 0.51 0.00 -1.29 0.00 0.00 177.43 176.77 3gk0 h ALA 26 N 1.86 1.34 0.00 -0.83 0.00 -1.26 -3.24 119.26 117.13 3gk0 h ALA 26 Ca -0.00 0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.60 3gk0 h ALA 26 Cb 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3gk0 h ALA 26 CO 0.02 0.04 -2.37 -2.13 0.00 0.00 0.00 179.25 174.81 3gk0 n ARG 27 N -4.77 0.74 0.00 0.00 0.63 -1.02 -5.03 116.66 107.22 3gk0 n ARG 27 Ca 0.17 0.05 0.00 0.00 -0.92 0.00 0.00 57.85 57.15 3gk0 n ARG 27 Cb 0.39 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.80 3gk0 n ARG 27 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gk0 n GLY 28 N 1.99 0.51 0.00 5.14 0.00 -0.87 -5.10 105.19 106.86 3gk0 n GLY 28 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3gk0 n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gk0 n THR 29 N -1.38 0.00 1.20 2.61 -2.24 -1.26 -4.98 114.28 108.23 3gk0 n THR 29 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3gk0 n THR 29 Cb 0.00 -1.92 0.38 0.00 -2.10 0.00 0.00 70.33 66.70 3gk0 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gk0 n ALA 30 N -3.00 2.52 -2.49 6.98 0.00 -1.26 -4.77 120.51 118.49 3gk0 n ALA 30 Ca 0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 53.44 52.63 3gk0 n ALA 30 Cb 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 3gk0 n ALA 30 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3gk0 s TYR 31 N -1.82 1.80 0.18 0.00 1.51 -1.26 -3.35 117.35 114.40 3gk0 s TYR 31 Ca 0.34 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 3gk0 s TYR 31 Cb 0.19 -1.07 -0.08 0.00 -0.11 0.00 0.00 41.96 40.89 3gk0 s TYR 31 CO 0.28 0.09 1.12 -1.25 -1.11 0.00 0.00 175.55 174.68 3gk0 s PRO 32 N -1.19 4.57 -0.21 -1.71 0.04 -1.26 -4.27 135.00 130.97 3gk0 s PRO 32 Ca 0.07 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.57 3gk0 s PRO 32 Cb -0.09 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3gk0 s PRO 32 CO 0.02 0.04 1.29 0.34 0.04 0.00 0.00 177.00 178.72 3gk0 s ASP 33 N -0.04 6.84 0.40 6.66 2.15 -1.21 -4.48 116.67 126.98 3gk0 s ASP 33 Ca 0.50 1.54 0.07 0.00 0.43 0.00 0.00 52.55 55.09 3gk0 s ASP 33 Cb -0.30 -2.54 0.82 0.00 -0.30 0.00 0.00 42.92 40.60 3gk0 s ASP 33 CO 0.35 -0.88 2.01 -0.65 -0.17 0.00 0.00 175.17 175.84 3gk0 h PRO 34 N 8.63 0.48 -0.48 4.34 0.11 -1.86 -1.80 132.00 141.43 3gk0 h PRO 34 Ca -0.27 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 3gk0 h PRO 34 Cb 1.10 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3gk0 h PRO 34 CO 0.99 0.38 0.12 0.28 -0.21 0.00 0.00 178.00 179.56 3gk0 h VAL 35 N 0.49 1.24 -0.46 3.15 2.07 -1.91 -1.33 116.25 119.49 3gk0 h VAL 35 Ca 0.12 -0.82 -0.13 0.00 0.82 0.00 0.00 66.70 66.69 3gk0 h VAL 35 Cb 0.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3gk0 h VAL 35 CO -0.02 0.29 -0.21 -0.09 0.02 0.00 0.00 177.57 177.57 3gk0 h ARG 36 N 0.64 0.94 -0.46 1.57 2.43 -1.92 -2.69 114.38 114.89 3gk0 h ARG 36 Ca 0.15 -0.39 0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3gk0 h ARG 36 Cb 0.32 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.75 3gk0 h ARG 36 CO 0.00 1.06 -0.03 0.00 -1.51 0.00 0.00 179.97 179.49 3gk0 h ALA 37 N 0.93 0.41 -0.21 2.80 0.00 -1.11 -0.50 119.26 121.59 3gk0 h ALA 37 Ca 0.11 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gk0 h ALA 37 Cb 0.77 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gk0 h ALA 37 CO 0.06 -0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.03 3gk0 h ALA 38 N 1.42 0.27 -0.25 0.00 0.00 -1.11 -1.60 119.26 117.99 3gk0 h ALA 38 Ca 0.23 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3gk0 h ALA 38 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gk0 h ALA 38 CO -0.41 -0.20 -0.43 -0.07 0.00 0.00 0.00 179.25 178.14 3gk0 h LEU 39 N 0.23 0.67 -1.24 0.00 3.38 -1.27 -2.55 115.31 114.54 3gk0 h LEU 39 Ca 0.07 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3gk0 h LEU 39 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3gk0 h LEU 39 CO -0.01 1.01 -0.33 0.00 0.09 0.00 0.00 178.44 179.20 3gk0 h ALA 40 N 1.01 1.37 -0.32 1.53 0.00 -1.04 -2.40 119.26 119.40 3gk0 h ALA 40 Ca 0.04 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3gk0 h ALA 40 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3gk0 h ALA 40 CO 0.09 0.46 -0.38 0.00 0.00 0.00 0.00 179.25 179.41 3gk0 h ALA 41 N 1.59 0.71 -0.60 0.00 0.00 -1.01 -1.78 119.26 118.17 3gk0 h ALA 41 Ca 0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 3gk0 h ALA 41 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3gk0 h ALA 41 CO 0.05 0.66 0.31 0.93 0.00 0.00 0.00 179.25 181.20 3gk0 h GLU 42 N 0.63 0.85 0.00 0.00 5.08 -1.31 -0.18 114.58 119.65 3gk0 h GLU 42 Ca 0.05 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3gk0 h GLU 42 Cb 0.94 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3gk0 h GLU 42 CO 0.09 0.66 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.16 3gk0 h ASP 43 N 0.81 0.00 0.09 1.42 3.32 -1.25 -2.62 116.42 118.19 3gk0 h ASP 43 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3gk0 h ASP 43 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3gk0 h ASP 43 CO -0.03 0.16 -0.06 0.00 -1.72 0.00 0.00 179.24 177.59 3gk0 n ALA 44 N -2.46 2.70 0.00 3.45 0.00 -0.68 -4.91 120.51 118.60 3gk0 n ALA 44 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3gk0 n ALA 44 Cb 0.23 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3gk0 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 45 N 1.19 1.17 3.77 0.00 0.00 -0.90 -4.05 105.19 106.37 3gk0 n GLY 45 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3gk0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 s ALA 46 N -2.00 3.30 -0.22 4.61 0.00 -0.14 -4.83 121.76 122.49 3gk0 s ALA 46 Ca 0.00 1.38 0.22 0.00 0.00 0.00 0.00 51.96 53.56 3gk0 s ALA 46 Cb 0.00 -3.55 -0.20 0.00 0.00 0.00 0.00 23.12 19.37 3gk0 s ALA 46 CO 0.00 -1.01 0.71 -0.25 0.00 0.00 0.00 175.76 175.21 3gk0 n ASP 47 N 0.06 0.35 -3.69 0.00 8.00 0.85 -4.59 116.55 117.52 3gk0 n ASP 47 Ca 0.04 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 3gk0 n ASP 47 Cb 0.42 1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 42.87 3gk0 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk0 s ALA 48 N -3.41 -0.76 -0.15 2.24 0.00 -1.00 -3.82 121.76 114.86 3gk0 s ALA 48 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 3gk0 s ALA 48 Cb 0.13 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 3gk0 s ALA 48 CO 0.86 -0.58 -0.05 0.42 0.00 0.00 0.00 175.76 176.41 3gk0 s ILE 49 N -3.64 3.78 -0.06 0.00 -1.09 0.33 -1.85 121.20 118.66 3gk0 s ILE 49 Ca 0.02 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 3gk0 s ILE 49 Cb 0.02 -2.64 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3gk0 s ILE 49 CO -0.11 0.50 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.09 3gk0 s THR 50 N 0.28 3.12 -0.17 2.92 2.01 0.15 0.14 115.64 124.08 3gk0 s THR 50 Ca -0.04 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.16 3gk0 s THR 50 Cb -0.14 -2.24 0.06 0.00 0.01 0.00 0.00 72.50 70.18 3gk0 s THR 50 CO 0.03 0.58 0.43 -1.48 -0.69 0.00 0.00 174.62 173.50 3gk0 s LEU 51 N -0.57 -0.02 -0.44 4.42 2.34 -0.86 -1.44 118.68 122.11 3gk0 s LEU 51 Ca 0.08 0.92 -0.15 0.00 0.06 0.00 0.00 54.13 55.05 3gk0 s LEU 51 Cb -0.11 1.45 0.05 0.00 -0.56 0.00 0.00 46.19 47.01 3gk0 s LEU 51 CO 0.01 -0.18 0.34 -2.28 -1.06 0.00 0.00 176.35 173.18 3gk0 s HIS 52 N 1.09 3.25 -0.73 3.48 5.65 -1.26 -1.33 115.29 125.43 3gk0 s HIS 52 Ca -0.07 -0.83 -0.24 0.00 0.25 0.00 0.00 55.06 54.17 3gk0 s HIS 52 Cb -0.07 -2.88 0.06 0.00 -1.18 0.00 0.00 32.58 28.51 3gk0 s HIS 52 CO -0.09 -0.71 1.12 -1.17 -0.65 0.00 0.00 174.74 173.23 3gk0 s LEU 53 N 1.64 3.96 0.53 8.88 0.20 -0.92 -4.44 118.68 128.53 3gk0 s LEU 53 Ca 0.04 -0.92 -0.18 0.00 0.69 0.00 0.00 54.13 53.76 3gk0 s LEU 53 Cb -0.22 -2.48 -0.07 0.00 -0.43 0.00 0.00 46.19 43.00 3gk0 s LEU 53 CO 0.08 -1.55 1.04 -0.13 -0.29 0.00 0.00 176.35 175.50 3gk0 s ARG 54 N 4.60 3.61 0.20 1.98 0.52 -1.26 -4.65 118.95 123.94 3gk0 s ARG 54 Ca 0.29 1.29 -0.11 0.00 -0.52 0.00 0.00 55.73 56.68 3gk0 s ARG 54 Cb -0.12 -2.07 0.21 0.00 0.52 0.00 0.00 34.95 33.49 3gk0 s ARG 54 CO 0.09 -0.58 1.79 1.05 0.02 0.00 0.00 175.30 177.67 3gk0 h GLU 55 N 1.09 0.54 0.00 3.54 4.11 -1.97 -1.68 114.58 120.21 3gk0 h GLU 55 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3gk0 h GLU 55 Cb 1.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3gk0 h GLU 55 CO 0.58 0.36 0.00 -0.40 0.07 0.00 0.00 179.01 179.62 3gk0 n ASP 56 N -4.87 0.00 -4.22 3.06 5.68 -1.26 -4.92 116.55 110.01 3gk0 n ASP 56 Ca 0.07 -1.26 -0.30 0.00 -0.50 0.00 0.00 54.79 52.80 3gk0 n ASP 56 Cb 0.18 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.08 3gk0 n ASP 56 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gk0 n ARG 57 N -0.85 -1.53 0.08 0.11 3.00 -0.63 -4.87 116.66 111.96 3gk0 n ARG 57 Ca 0.16 0.17 -0.18 0.00 -0.01 0.00 0.00 57.85 57.99 3gk0 n ARG 57 Cb 0.07 -3.81 -0.10 0.00 0.00 0.00 0.00 32.46 28.62 3gk0 n ARG 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3gk0 h ARG 58 N -1.81 0.51 0.00 5.56 2.43 -1.91 -3.45 114.38 115.70 3gk0 h ARG 58 Ca -0.65 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 57.89 3gk0 h ARG 58 Cb 1.39 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 3gk0 h ARG 58 CO 0.69 1.25 0.00 -2.39 -1.51 0.00 0.00 179.97 178.01 3gk0 n HIS 59 N -3.74 0.00 -1.76 2.20 1.44 -1.26 -4.89 115.22 107.20 3gk0 n HIS 59 Ca -0.10 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.20 3gk0 n HIS 59 Cb 0.92 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.04 3gk0 n HIS 59 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 3gk0 n ILE 60 N -0.33 2.18 -4.60 0.61 2.08 -1.26 -4.72 119.36 113.33 3gk0 n ILE 60 Ca 0.00 -0.50 -0.27 0.00 0.56 0.00 0.00 62.75 62.54 3gk0 n ILE 60 Cb 0.00 -1.90 -0.10 0.00 -0.75 0.00 0.00 39.64 36.89 3gk0 n ILE 60 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3gk0 s VAL 61 N -1.13 1.53 0.15 1.39 -7.23 -1.26 -4.50 120.40 109.35 3gk0 s VAL 61 Ca 0.55 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.59 3gk0 s VAL 61 Cb -0.48 -2.74 0.03 0.00 0.56 0.00 0.00 36.38 33.75 3gk0 s VAL 61 CO 0.62 0.00 1.67 0.44 -0.31 0.00 0.00 175.10 177.53 3gk0 h ASP 62 N 1.78 0.75 -0.70 4.85 5.19 -1.97 -2.52 116.42 123.80 3gk0 h ASP 62 Ca -0.43 -0.21 0.09 0.00 -0.62 0.00 0.00 57.03 55.87 3gk0 h ASP 62 Cb 1.26 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 3gk0 h ASP 62 CO 0.75 0.76 0.46 0.00 -3.12 0.00 0.00 179.24 178.09 3gk0 h ALA 63 N 1.01 1.88 -0.20 3.45 0.00 -1.98 -0.10 119.26 123.33 3gk0 h ALA 63 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gk0 h ALA 63 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gk0 h ALA 63 CO -0.00 -0.02 0.13 -0.44 0.00 0.00 0.00 179.25 178.91 3gk0 h ASP 64 N 0.58 0.23 -0.21 0.00 3.45 -1.87 0.11 116.42 118.71 3gk0 h ASP 64 Ca 0.32 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.72 3gk0 h ASP 64 Cb 0.48 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3gk0 h ASP 64 CO -0.11 0.17 -0.05 0.58 -1.57 0.00 0.00 179.24 178.27 3gk0 h VAL 65 N 0.26 1.28 -0.39 -1.35 2.07 -1.18 -1.49 116.25 115.45 3gk0 h VAL 65 Ca 0.07 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.44 3gk0 h VAL 65 Cb -0.02 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3gk0 h VAL 65 CO -0.02 0.31 -0.23 0.03 0.02 0.00 0.00 177.57 177.68 3gk0 h ARG 66 N 0.12 0.78 -0.28 1.57 3.08 -1.03 -1.65 114.38 116.97 3gk0 h ARG 66 Ca 0.05 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 3gk0 h ARG 66 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3gk0 h ARG 66 CO 0.02 0.94 -0.18 1.15 -1.07 0.00 0.00 179.97 180.83 3gk0 h THR 67 N 0.68 1.30 -0.07 2.04 2.02 -0.75 -3.31 112.91 114.82 3gk0 h THR 67 Ca 0.09 -1.30 -0.17 0.00 0.77 0.00 0.00 66.41 65.80 3gk0 h THR 67 Cb 0.75 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 3gk0 h THR 67 CO 0.06 0.41 -0.68 0.25 0.37 0.00 0.00 175.52 175.94 3gk0 h LEU 68 N 0.36 0.36 -0.36 2.58 5.85 -1.17 -3.36 115.31 119.57 3gk0 h LEU 68 Ca 0.06 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.63 3gk0 h LEU 68 Cb 0.71 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 3gk0 h LEU 68 CO 0.05 0.93 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.86 3gk0 h ARG 69 N 0.22 -0.05 0.00 1.25 9.65 -1.39 -0.46 114.38 123.60 3gk0 h ARG 69 Ca -0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3gk0 h ARG 69 Cb 1.22 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.81 3gk0 h ARG 69 CO 0.11 -0.03 0.00 -1.00 2.80 0.00 0.00 179.97 181.85 3gk0 h PRO 70 N -0.05 0.00 0.00 0.20 0.13 -1.76 -3.20 132.00 127.31 3gk0 h PRO 70 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3gk0 h PRO 70 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3gk0 h PRO 70 CO -0.40 0.00 -0.68 0.00 -0.23 0.00 0.00 178.00 176.69 3gk0 h ARG 71 N 0.00 0.00 -6.33 0.86 2.47 -1.27 -3.47 114.38 106.63 3gk0 h ARG 71 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 3gk0 h ARG 71 Cb 0.53 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.88 3gk0 h ARG 71 CO 0.00 0.00 1.16 0.28 0.56 0.00 0.00 179.97 181.97 3gk0 n VAL 72 N -2.67 0.65 0.07 2.04 0.31 -0.64 -4.90 118.33 113.18 3gk0 n VAL 72 Ca 0.02 -0.12 -0.09 0.00 -0.01 0.00 0.00 64.34 64.14 3gk0 n VAL 72 Cb 0.52 -2.10 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 3gk0 n VAL 72 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3gk0 h LYS 73 N 9.76 0.06 0.00 5.55 1.57 -1.92 -3.46 116.57 128.13 3gk0 h LYS 73 Ca -0.49 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3gk0 h LYS 73 Cb 1.25 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.60 3gk0 h LYS 73 CO 0.94 1.03 0.00 0.25 -0.57 0.00 0.00 179.45 181.10 3gk0 n THR 74 N -3.38 0.00 -4.20 -0.16 -2.24 -1.26 -5.12 114.28 97.91 3gk0 n THR 74 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 3gk0 n THR 74 Cb 0.96 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.06 3gk0 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gk0 s ARG 75 N 1.33 0.58 -0.18 -0.78 0.52 -1.25 -5.04 118.95 114.13 3gk0 s ARG 75 Ca 0.00 -0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 54.66 3gk0 s ARG 75 Cb 0.00 -0.51 -0.05 0.00 0.52 0.00 0.00 34.95 34.91 3gk0 s ARG 75 CO 0.00 0.13 0.20 1.41 0.02 0.00 0.00 175.30 177.06 3gk0 s MET 76 N -0.64 4.21 -0.35 3.54 -2.45 -1.26 -0.52 119.30 121.83 3gk0 s MET 76 Ca -0.01 -0.09 -0.01 0.00 -1.25 0.00 0.00 55.69 54.34 3gk0 s MET 76 Cb -0.05 -3.42 0.09 0.00 1.25 0.00 0.00 34.83 32.70 3gk0 s MET 76 CO 0.00 0.28 0.08 1.21 1.05 0.00 0.00 175.02 177.65 3gk0 s ASN 77 N 0.38 4.98 -0.33 1.11 2.47 0.12 -1.85 114.94 121.82 3gk0 s ASN 77 Ca 0.12 -1.79 -0.18 0.00 0.42 0.00 0.00 52.86 51.42 3gk0 s ASN 77 Cb -0.12 -1.73 -0.01 0.00 -1.45 0.00 0.00 41.25 37.95 3gk0 s ASN 77 CO 0.00 -0.40 0.53 -0.22 -3.72 0.00 0.00 177.10 173.30 3gk0 s LEU 78 N 1.12 4.26 0.06 3.21 0.20 -0.85 -2.02 118.68 124.65 3gk0 s LEU 78 Ca 0.04 0.12 -0.23 0.00 0.69 0.00 0.00 54.13 54.75 3gk0 s LEU 78 Cb -0.21 -2.64 -0.06 0.00 -0.43 0.00 0.00 46.19 42.86 3gk0 s LEU 78 CO -0.04 -0.46 0.70 -1.61 -0.29 0.00 0.00 176.35 174.65 3gk0 s GLU 79 N 2.43 4.43 0.16 1.98 2.02 -0.44 -1.22 118.70 128.05 3gk0 s GLU 79 Ca 0.20 0.96 -0.24 0.00 0.02 0.00 0.00 54.97 55.91 3gk0 s GLU 79 Cb -0.15 -3.33 0.06 0.00 0.10 0.00 0.00 34.13 30.81 3gk0 s GLU 79 CO 0.13 0.39 0.75 0.00 0.02 0.00 0.00 175.26 176.55 3gk0 s ALA 81 N -3.59 3.13 -1.35 0.00 0.00 -1.26 -1.91 121.76 116.79 3gk0 s ALA 81 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.80 3gk0 s ALA 81 Cb -0.02 -3.03 0.11 0.00 0.00 0.00 0.00 23.12 20.18 3gk0 s ALA 81 CO -0.05 -0.65 2.19 0.28 0.00 0.00 0.00 175.76 177.53 3gk0 n VAL 82 N -2.68 4.52 -4.35 0.00 0.31 -1.26 -4.43 118.33 110.44 3gk0 n VAL 82 Ca 0.05 -4.03 -0.26 0.00 -0.01 0.00 0.00 64.34 60.09 3gk0 n VAL 82 Cb 0.54 -2.32 -0.13 0.00 -0.91 0.00 0.00 33.84 31.02 3gk0 n VAL 82 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gk0 s THR 83 N 0.40 2.02 0.42 2.52 -4.23 -1.26 -5.03 115.64 110.48 3gk0 s THR 83 Ca 0.48 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.40 3gk0 s THR 83 Cb 0.14 -1.82 0.30 0.00 1.34 0.00 0.00 72.50 72.46 3gk0 s THR 83 CO -0.04 0.00 2.01 -0.65 -0.54 0.00 0.00 174.62 175.40 3gk0 h PRO 84 N 3.90 0.48 0.11 3.99 0.11 -1.99 -1.95 132.00 136.65 3gk0 h PRO 84 Ca -0.48 -0.03 -0.29 0.00 0.11 0.00 0.00 66.00 65.31 3gk0 h PRO 84 Cb 1.18 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 32.20 3gk0 h PRO 84 CO 0.40 0.32 -1.21 0.93 -0.21 0.00 0.00 178.00 178.23 3gk0 h GLU 85 N 0.50 0.57 -0.18 1.05 4.39 -1.96 -1.99 114.58 116.96 3gk0 h GLU 85 Ca 0.23 -0.75 -0.14 0.00 0.34 0.00 0.00 59.36 59.04 3gk0 h GLU 85 Cb 0.28 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3gk0 h GLU 85 CO -0.06 1.33 -0.47 0.52 -1.16 0.00 0.00 179.01 179.17 3gk0 h MET 86 N 0.26 0.46 -0.39 2.33 2.86 -1.83 -2.70 114.93 115.92 3gk0 h MET 86 Ca -0.17 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.13 3gk0 h MET 86 Cb 1.88 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.54 3gk0 h MET 86 CO 0.23 0.84 -0.08 -0.07 1.06 0.00 0.00 176.91 178.88 3gk0 h LEU 87 N 0.37 0.64 -0.59 1.22 3.38 -1.33 -0.87 115.31 118.13 3gk0 h LEU 87 Ca 0.02 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3gk0 h LEU 87 Cb 0.97 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3gk0 h LEU 87 CO 0.09 0.76 0.25 0.44 0.09 0.00 0.00 178.44 180.07 3gk0 h ASP 88 N 0.61 0.80 -0.39 -0.43 3.32 -1.22 -0.19 116.42 118.91 3gk0 h ASP 88 Ca 0.11 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3gk0 h ASP 88 Cb 0.51 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3gk0 h ASP 88 CO 0.03 0.74 0.23 0.40 -1.72 0.00 0.00 179.24 178.92 3gk0 h ILE 89 N 0.81 1.04 -0.87 0.35 2.04 -1.12 -1.27 117.51 118.49 3gk0 h ILE 89 Ca 0.20 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3gk0 h ILE 89 Cb 0.18 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3gk0 h ILE 89 CO -0.02 0.09 0.54 0.00 0.00 0.00 0.00 178.15 178.76 3gk0 h ALA 90 N 1.17 1.11 0.00 1.87 0.00 -0.79 -0.87 119.26 121.76 3gk0 h ALA 90 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gk0 h ALA 90 Cb 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3gk0 h ALA 90 CO -0.07 0.55 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 3gk0 h GLU 92 N 0.00 0.20 0.00 0.00 4.81 -0.69 -3.35 114.58 115.55 3gk0 h GLU 92 Ca -0.00 -0.33 -0.08 0.00 -0.13 0.00 0.00 59.36 58.82 3gk0 h GLU 92 Cb 0.75 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 3gk0 h GLU 92 CO 0.01 1.14 -0.39 0.82 -0.73 0.00 0.00 179.01 179.87 3gk0 h ILE 93 N -0.57 0.98 -6.20 2.32 2.04 -1.17 -3.48 117.51 111.43 3gk0 h ILE 93 Ca -0.09 -1.50 -0.43 0.00 1.00 0.00 0.00 64.86 63.85 3gk0 h ILE 93 Cb 1.39 1.88 0.08 0.00 -0.74 0.00 0.00 36.82 39.44 3gk0 h ILE 93 CO 0.10 0.38 -0.93 0.54 0.00 0.00 0.00 178.15 178.24 3gk0 n ARG 94 N -3.64 -1.51 -1.33 2.37 1.74 -0.67 -4.95 116.66 108.67 3gk0 n ARG 94 Ca -0.01 0.48 -0.32 0.00 -0.77 0.00 0.00 57.85 57.23 3gk0 n ARG 94 Cb 0.49 -4.26 0.09 0.00 -1.02 0.00 0.00 32.46 27.76 3gk0 n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gk0 s PRO 95 N -5.94 2.25 0.18 5.56 0.04 -1.26 -4.94 135.00 130.89 3gk0 s PRO 95 Ca 0.43 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.66 3gk0 s PRO 95 Cb -0.15 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.58 3gk0 s PRO 95 CO 0.86 -1.66 1.70 0.45 0.04 0.00 0.00 177.00 178.38 3gk0 h HIS 96 N -0.88 1.00 -3.04 0.56 3.86 -1.86 -3.41 115.15 111.38 3gk0 h HIS 96 Ca -0.44 -0.11 -0.43 0.00 -1.16 0.00 0.00 60.37 58.23 3gk0 h HIS 96 Cb 1.24 -0.29 -0.15 0.00 1.06 0.00 0.00 27.41 29.28 3gk0 h HIS 96 CO 0.56 0.83 -0.73 -0.51 0.86 0.00 0.00 177.93 178.93 3gk0 s ASP 97 N -6.25 2.40 -0.05 2.45 1.01 -0.77 -1.77 116.67 113.69 3gk0 s ASP 97 Ca -0.13 -1.00 -0.06 0.00 0.71 0.00 0.00 52.55 52.08 3gk0 s ASP 97 Cb 0.13 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.96 3gk0 s ASP 97 CO 0.82 -0.19 0.16 0.00 0.21 0.00 0.00 175.17 176.17 3gk0 s ALA 98 N -2.93 -0.40 -0.21 5.23 0.00 -0.76 -2.01 121.76 120.68 3gk0 s ALA 98 Ca 0.20 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3gk0 s ALA 98 Cb -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.97 3gk0 s ALA 98 CO 0.05 -0.12 -0.16 0.00 0.00 0.00 0.00 175.76 175.54 3gk0 s LEU 100 N 1.24 4.16 0.10 0.00 1.43 -0.15 -1.96 118.68 123.50 3gk0 s LEU 100 Ca 0.01 1.51 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 3gk0 s LEU 100 Cb -0.15 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 3gk0 s LEU 100 CO -0.10 -0.63 -0.21 0.68 0.23 0.00 0.00 176.35 176.32 3gk0 s VAL 101 N 2.93 1.69 0.35 -1.59 -7.23 -0.80 -2.14 120.40 113.60 3gk0 s VAL 101 Ca 0.48 -1.51 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 3gk0 s VAL 101 Cb -0.18 -1.53 -0.10 0.00 0.56 0.00 0.00 36.38 35.13 3gk0 s VAL 101 CO 0.11 -0.04 0.97 -2.16 -0.31 0.00 0.00 175.10 173.67 3gk0 s PRO 102 N -1.84 4.47 0.00 4.82 0.04 -1.26 -4.07 135.00 137.16 3gk0 s PRO 102 Ca 0.06 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3gk0 s PRO 102 Cb -0.10 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.75 3gk0 s PRO 102 CO 0.04 0.17 0.00 0.39 0.04 0.00 0.00 177.00 177.64 3gk0 n GLU 103 N 0.32 0.00 -3.05 4.56 1.02 -1.26 -4.99 120.64 117.24 3gk0 n GLU 103 Ca 0.03 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.83 3gk0 n GLU 103 Cb 0.50 -0.56 -0.06 0.00 -0.02 0.00 0.00 31.44 31.30 3gk0 n GLU 103 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gk0 s LYS 104 N -1.96 4.18 0.40 3.49 1.02 -1.26 -4.99 119.74 120.62 3gk0 s LYS 104 Ca 0.00 0.86 0.10 0.00 0.02 0.00 0.00 55.97 56.96 3gk0 s LYS 104 Cb 0.00 -2.61 0.83 0.00 -0.52 0.00 0.00 37.83 35.53 3gk0 s LYS 104 CO 0.00 0.24 1.94 -0.09 -0.92 0.00 0.00 175.35 176.52 3gk0 h ARG 105 N 2.74 0.23 0.00 1.68 9.65 -1.97 -0.09 114.38 126.62 3gk0 h ARG 105 Ca -0.48 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3gk0 h ARG 105 Cb 1.18 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 3gk0 h ARG 105 CO 0.65 0.34 0.00 -1.13 2.80 0.00 0.00 179.97 182.63 3gk0 n SER 106 N -4.30 0.41 0.01 -3.80 3.41 -1.26 -2.68 113.62 105.41 3gk0 n SER 106 Ca -0.01 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 3gk0 n SER 106 Cb 0.25 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.40 3gk0 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gk0 n GLU 107 N -2.00 0.32 -4.14 4.33 1.02 -0.05 -4.99 120.64 115.13 3gk0 n GLU 107 Ca 0.01 -0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.85 3gk0 n GLU 107 Cb 0.11 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 3gk0 n GLU 107 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3gk0 s LEU 108 N -3.84 3.20 0.72 -4.62 2.34 -1.09 -1.75 118.68 113.64 3gk0 s LEU 108 Ca 0.01 -0.84 -0.02 0.00 0.06 0.00 0.00 54.13 53.34 3gk0 s LEU 108 Cb 0.15 -1.64 0.12 0.00 -0.56 0.00 0.00 46.19 44.26 3gk0 s LEU 108 CO 0.86 -0.31 1.00 0.42 -1.06 0.00 0.00 176.35 177.25 3gk0 s THR 109 N -2.46 2.19 0.23 5.48 -4.23 -1.00 -4.79 115.64 111.06 3gk0 s THR 109 Ca 0.38 -0.53 0.36 0.00 -1.18 0.00 0.00 61.69 60.71 3gk0 s THR 109 Cb -0.01 -2.66 0.40 0.00 1.34 0.00 0.00 72.50 71.57 3gk0 s THR 109 CO 0.22 0.00 2.07 0.71 -0.54 0.00 0.00 174.62 177.08 3gk0 h THR 110 N -0.56 0.02 0.05 3.99 1.35 -1.97 -2.63 112.91 113.16 3gk0 h THR 110 Ca -0.38 -0.41 -0.30 0.00 -0.55 0.00 0.00 66.41 64.77 3gk0 h THR 110 Cb 1.27 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 69.06 3gk0 h THR 110 CO 0.43 0.00 -1.62 -0.08 -0.25 0.00 0.00 175.52 174.01 3gk0 h GLU 111 N 0.00 0.11 0.00 4.72 4.81 -2.03 -3.49 114.58 118.69 3gk0 h GLU 111 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3gk0 h GLU 111 Cb 0.40 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gk0 h GLU 111 CO 0.00 0.83 0.00 0.41 -0.73 0.00 0.00 179.01 179.52 3gk0 n GLY 112 N 1.62 1.00 3.81 1.92 0.00 -0.99 -4.95 105.19 107.60 3gk0 n GLY 112 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3gk0 n GLY 112 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gk0 s GLY 113 N -1.07 1.61 0.29 -0.02 0.00 -1.26 -4.66 107.32 102.20 3gk0 s GLY 113 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.08 3gk0 s GLY 113 CO 0.00 0.13 1.33 1.04 0.00 0.00 0.00 173.10 175.59 3gk0 n LEU 114 N -3.52 3.23 -4.46 0.66 4.77 0.71 -2.38 117.00 116.02 3gk0 n LEU 114 Ca 0.07 1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 56.79 3gk0 n LEU 114 Cb 0.58 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 3gk0 n LEU 114 CO 0.57 -0.54 1.50 -0.67 -1.33 0.00 0.00 177.39 176.91 3gk0 n ASP 115 N 1.46 5.18 -0.26 -1.43 4.64 -0.72 -4.65 116.55 120.79 3gk0 n ASP 115 Ca 0.08 -2.97 -0.07 0.00 -1.38 0.00 0.00 54.79 50.45 3gk0 n ASP 115 Cb 0.34 -1.59 0.05 0.00 -1.04 0.00 0.00 41.12 38.88 3gk0 n ASP 115 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3gk0 h VAL 116 N 4.73 1.26 -0.21 5.18 2.07 -1.90 -2.28 116.25 125.09 3gk0 h VAL 116 Ca 0.34 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 66.95 3gk0 h VAL 116 Cb 0.86 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3gk0 h VAL 116 CO 1.29 0.37 -0.25 0.58 0.02 0.00 0.00 177.57 179.58 3gk0 h VAL 117 N 1.08 0.39 0.00 2.57 2.07 -1.90 -1.03 116.25 119.43 3gk0 h VAL 117 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 3gk0 h VAL 117 Cb 0.37 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3gk0 h VAL 117 CO 0.00 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.82 3gk0 h GLY 118 N -0.27 0.00 -2.49 2.17 0.00 -1.93 -3.26 103.07 97.29 3gk0 h GLY 118 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.25 3gk0 h GLY 118 CO -0.37 0.00 -0.73 1.42 0.00 0.00 0.00 176.54 176.86 3gk0 n HIS 119 N -2.85 0.91 -0.06 5.60 8.25 -0.87 -4.92 115.22 121.28 3gk0 n HIS 119 Ca 0.03 -1.62 -0.07 0.00 -0.26 0.00 0.00 57.72 55.80 3gk0 n HIS 119 Cb 0.40 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 3gk0 n HIS 119 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3gk0 h PHE 120 N 1.49 -0.55 -0.54 4.41 3.57 -1.24 -2.10 116.94 121.98 3gk0 h PHE 120 Ca 0.06 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3gk0 h PHE 120 Cb 1.31 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 40.31 3gk0 h PHE 120 CO 0.68 -0.29 0.30 -0.44 -2.23 0.00 0.00 178.31 176.33 3gk0 h ASP 121 N -0.20 0.67 -0.59 0.41 3.32 -1.91 -0.43 116.42 117.69 3gk0 h ASP 121 Ca 0.15 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3gk0 h ASP 121 Cb 0.42 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3gk0 h ASP 121 CO -0.39 0.56 0.26 0.00 -1.72 0.00 0.00 179.24 177.95 3gk0 h ALA 122 N 1.13 0.77 -0.31 3.45 0.00 -1.87 -2.06 119.26 120.37 3gk0 h ALA 122 Ca 0.19 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3gk0 h ALA 122 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3gk0 h ALA 122 CO -0.03 0.36 -0.07 0.28 0.00 0.00 0.00 179.25 179.78 3gk0 h VAL 123 N 0.81 1.28 -0.56 0.00 2.07 -1.05 -1.60 116.25 117.20 3gk0 h VAL 123 Ca 0.20 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.63 3gk0 h VAL 123 Cb 0.16 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3gk0 h VAL 123 CO -0.02 0.36 0.37 -0.09 0.02 0.00 0.00 177.57 178.21 3gk0 h ARG 124 N 0.37 0.66 -0.12 1.57 2.43 -0.95 0.82 114.38 119.16 3gk0 h ARG 124 Ca 0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3gk0 h ARG 124 Cb 0.56 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3gk0 h ARG 124 CO 0.03 0.44 -0.09 0.00 -1.51 0.00 0.00 179.97 178.84 3gk0 h ALA 125 N 1.67 0.18 -0.38 2.80 0.00 -1.12 -2.36 119.26 120.03 3gk0 h ALA 125 Ca 0.22 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 125 Cb 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3gk0 h ALA 125 CO -0.06 -0.00 0.05 0.00 0.00 0.00 0.00 179.25 179.24 3gk0 h ALA 126 N 0.62 0.39 -0.83 0.00 0.00 -0.75 -1.19 119.26 117.51 3gk0 h ALA 126 Ca 0.02 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.15 3gk0 h ALA 126 Cb 0.58 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3gk0 h ALA 126 CO 0.02 -0.35 0.54 0.00 0.00 0.00 0.00 179.25 179.46 3gk0 h LYS 128 N 0.65 0.09 -0.35 0.00 3.11 -0.70 -2.16 116.57 117.21 3gk0 h LYS 128 Ca 0.40 -0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 58.03 3gk0 h LYS 128 Cb 0.65 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.88 3gk0 h LYS 128 CO -0.16 0.60 -0.40 -0.56 -2.81 0.00 0.00 179.45 176.12 3gk0 h GLN 129 N -0.41 0.84 -0.45 1.90 3.07 -0.93 0.07 115.11 119.20 3gk0 h GLN 129 Ca 0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 58.65 58.29 3gk0 h GLN 129 Cb 0.60 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.15 3gk0 h GLN 129 CO 0.01 1.08 0.26 -0.07 0.09 0.00 0.00 178.83 180.20 3gk0 h LEU 130 N 0.69 0.56 -0.97 0.06 3.38 -1.31 -1.92 115.31 115.80 3gk0 h LEU 130 Ca 0.05 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3gk0 h LEU 130 Cb 0.97 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3gk0 h LEU 130 CO 0.09 0.48 0.43 0.00 0.09 0.00 0.00 178.44 179.53 3gk0 h ALA 131 N 1.10 1.20 -0.02 1.53 0.00 -1.14 -1.01 119.26 120.93 3gk0 h ALA 131 Ca 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 131 Cb 0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3gk0 h ALA 131 CO -0.03 0.63 -0.07 -0.44 0.00 0.00 0.00 179.25 179.34 3gk0 h ASP 132 N 1.16 0.02 -0.39 0.00 3.32 -0.54 0.27 116.42 120.27 3gk0 h ASP 132 Ca 0.29 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3gk0 h ASP 132 Cb 0.06 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gk0 h ASP 132 CO -0.04 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 3gk0 n ALA 133 N -2.52 3.06 -1.44 3.45 0.00 -0.63 -4.93 120.51 117.50 3gk0 n ALA 133 Ca -0.02 -1.06 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 3gk0 n ALA 133 Cb 0.16 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 3gk0 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 134 N 0.66 0.73 3.75 0.00 0.00 0.09 -4.88 105.19 105.54 3gk0 n GLY 134 Ca 0.17 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3gk0 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gk0 s VAL 135 N -2.30 5.32 -0.43 1.61 1.01 -0.48 -4.88 120.40 120.24 3gk0 s VAL 135 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 3gk0 s VAL 135 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.81 3gk0 s VAL 135 CO 0.00 0.44 1.11 -0.60 0.00 0.00 0.00 175.10 176.05 3gk0 s ARG 136 N 0.15 3.81 -0.05 2.72 3.52 -0.73 -3.89 118.95 124.47 3gk0 s ARG 136 Ca 0.16 0.68 -0.17 0.00 -0.13 0.00 0.00 55.73 56.26 3gk0 s ARG 136 Cb -0.13 -3.86 -0.05 0.00 -1.56 0.00 0.00 34.95 29.35 3gk0 s ARG 136 CO 0.04 -1.24 0.47 0.08 -0.81 0.00 0.00 175.30 173.84 3gk0 s VAL 137 N 4.20 5.06 0.06 7.11 1.01 -1.26 -1.82 120.40 134.76 3gk0 s VAL 137 Ca 0.47 0.97 0.09 0.00 0.00 0.00 0.00 61.98 63.51 3gk0 s VAL 137 Cb -0.09 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3gk0 s VAL 137 CO 0.27 0.44 -0.25 -0.55 0.00 0.00 0.00 175.10 175.01 3gk0 s SER 138 N -0.17 3.29 -0.19 3.32 0.15 0.90 -2.35 113.70 118.66 3gk0 s SER 138 Ca 0.26 -0.60 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 3gk0 s SER 138 Cb -0.16 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.82 3gk0 s SER 138 CO 0.13 0.24 -0.08 -0.76 1.20 0.00 0.00 173.24 173.97 3gk0 s LEU 139 N -1.45 2.83 -0.55 3.45 1.43 -0.92 -0.98 118.68 122.50 3gk0 s LEU 139 Ca 0.13 -0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 52.58 3gk0 s LEU 139 Cb -0.10 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.46 3gk0 s LEU 139 CO 0.03 0.05 1.17 0.12 0.23 0.00 0.00 176.35 177.96 3gk0 s PHE 140 N 1.05 2.67 0.17 0.29 2.19 -0.91 -0.82 117.98 122.62 3gk0 s PHE 140 Ca 0.00 0.50 0.03 0.00 0.33 0.00 0.00 56.93 57.79 3gk0 s PHE 140 Cb -0.15 -4.49 -0.05 0.00 -1.31 0.00 0.00 43.02 37.03 3gk0 s PHE 140 CO -0.01 -1.49 -0.05 0.96 1.83 0.00 0.00 175.22 176.46 3gk0 s ILE 141 N 4.80 0.99 0.63 3.12 -4.36 -0.53 -0.21 121.20 125.63 3gk0 s ILE 141 Ca 0.44 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.65 3gk0 s ILE 141 Cb -0.07 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 3gk0 s ILE 141 CO 0.27 -0.60 1.08 -1.81 0.24 0.00 0.00 174.94 174.12 3gk0 s ASP 142 N -3.19 5.45 -1.38 4.36 1.01 -1.26 -1.16 116.67 120.50 3gk0 s ASP 142 Ca 0.20 1.90 -0.11 0.00 0.71 0.00 0.00 52.55 55.26 3gk0 s ASP 142 Cb 0.04 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 3gk0 s ASP 142 CO 0.03 -1.39 2.57 -0.81 0.21 0.00 0.00 175.17 175.78 3gk0 n PRO 143 N -2.24 3.04 -4.88 8.23 -0.04 -1.26 -4.72 135.00 133.14 3gk0 n PRO 143 Ca 0.09 -2.08 -0.31 0.00 -0.04 0.00 0.00 63.50 61.17 3gk0 n PRO 143 Cb 0.52 -2.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.00 3gk0 n PRO 143 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gk0 s ASP 144 N 2.82 2.87 0.32 3.54 2.15 -1.26 -4.78 116.67 122.34 3gk0 s ASP 144 Ca 0.58 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.04 3gk0 s ASP 144 Cb 0.15 -1.32 0.53 0.00 -0.30 0.00 0.00 42.92 41.98 3gk0 s ASP 144 CO -0.05 0.10 1.95 -0.08 -0.17 0.00 0.00 175.17 176.92 3gk0 h GLU 145 N 7.03 0.88 -0.64 4.34 4.81 -1.98 -1.25 114.58 127.77 3gk0 h GLU 145 Ca -0.26 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 3gk0 h GLU 145 Cb 1.21 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3gk0 h GLU 145 CO 0.50 0.64 0.27 0.00 -0.73 0.00 0.00 179.01 179.69 3gk0 h ALA 146 N 1.50 0.83 -0.27 2.92 0.00 -1.97 -0.17 119.26 122.11 3gk0 h ALA 146 Ca 0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3gk0 h ALA 146 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gk0 h ALA 146 CO -0.04 0.44 -0.30 1.96 0.00 0.00 0.00 179.25 181.31 3gk0 h GLN 147 N 0.90 0.55 -0.13 0.00 1.08 -1.71 0.09 115.11 115.89 3gk0 h GLN 147 Ca 0.22 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3gk0 h GLN 147 Cb 0.19 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3gk0 h GLN 147 CO -0.02 0.79 0.00 0.82 -0.95 0.00 0.00 178.83 179.47 3gk0 h ILE 148 N 0.47 1.25 -0.61 2.54 2.04 -0.92 0.34 117.51 122.62 3gk0 h ILE 148 Ca 0.06 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.15 3gk0 h ILE 148 Cb 0.76 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.33 3gk0 h ILE 148 CO 0.06 0.24 0.34 0.03 0.00 0.00 0.00 178.15 178.82 3gk0 h ARG 149 N -0.03 0.63 -0.59 2.37 3.08 -0.95 -1.39 114.38 117.50 3gk0 h ARG 149 Ca 0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3gk0 h ARG 149 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3gk0 h ARG 149 CO 0.01 0.42 0.13 0.00 -1.07 0.00 0.00 179.97 179.45 3gk0 h ALA 150 N 1.31 1.11 -0.80 0.04 0.00 -0.55 -1.72 119.26 118.65 3gk0 h ALA 150 Ca 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 150 Cb 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3gk0 h ALA 150 CO -0.16 0.59 0.48 0.00 0.00 0.00 0.00 179.25 180.17 3gk0 h ALA 151 N 1.25 1.02 -0.60 0.00 0.00 0.16 -2.09 119.26 119.00 3gk0 h ALA 151 Ca 0.19 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gk0 h ALA 151 Cb 0.34 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3gk0 h ALA 151 CO 0.00 0.48 0.08 1.25 0.00 0.00 0.00 179.25 181.06 3gk0 h HIS 152 N 1.09 1.04 0.00 0.00 6.17 -0.76 -2.44 115.15 120.25 3gk0 h HIS 152 Ca 0.29 -0.14 -0.05 0.00 0.71 0.00 0.00 60.37 61.18 3gk0 h HIS 152 Cb -0.05 -0.29 -0.01 0.00 2.52 0.00 0.00 27.41 29.59 3gk0 h HIS 152 CO -0.01 0.89 -0.23 0.93 0.71 0.00 0.00 177.93 180.22 3gk0 h GLU 153 N 0.92 0.00 0.00 5.26 5.08 -0.96 -2.96 114.58 121.91 3gk0 h GLU 153 Ca 0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3gk0 h GLU 153 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3gk0 h GLU 153 CO 0.01 0.23 -0.06 1.79 -1.00 0.00 0.00 179.01 179.99 3gk0 h THR 154 N 0.00 0.26 0.00 1.13 1.35 -0.87 -3.46 112.91 111.31 3gk0 h THR 154 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3gk0 h THR 154 Cb 0.49 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3gk0 h THR 154 CO 0.03 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3gk0 n GLY 155 N -0.50 0.11 3.71 5.82 0.00 -1.12 -4.63 105.19 108.59 3gk0 n GLY 155 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3gk0 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 s ALA 156 N -2.00 3.75 -0.01 4.61 0.00 -1.24 -4.90 121.76 121.97 3gk0 s ALA 156 Ca 0.00 1.33 0.32 0.00 0.00 0.00 0.00 51.96 53.61 3gk0 s ALA 156 Cb 0.00 -3.62 1.20 0.00 0.00 0.00 0.00 23.12 20.70 3gk0 s ALA 156 CO 0.00 -0.80 1.92 -1.00 0.00 0.00 0.00 175.76 175.88 3gk0 h PRO 157 N 6.97 0.00 -4.90 0.00 0.13 -1.91 -3.44 132.00 128.85 3gk0 h PRO 157 Ca -0.43 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 3gk0 h PRO 157 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 3gk0 h PRO 157 CO 0.91 0.00 -0.76 0.08 -0.23 0.00 0.00 178.00 178.00 3gk0 s VAL 158 N -3.58 0.80 0.06 1.56 1.01 -0.99 -1.95 120.40 117.30 3gk0 s VAL 158 Ca 0.02 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.05 3gk0 s VAL 158 Cb 0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3gk0 s VAL 158 CO 0.55 -0.20 -0.19 0.27 0.00 0.00 0.00 175.10 175.53 3gk0 s ILE 159 N -1.09 1.55 -0.23 2.22 -4.36 -0.48 -2.16 121.20 116.66 3gk0 s ILE 159 Ca -0.04 -1.27 -0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3gk0 s ILE 159 Cb -0.09 -1.38 0.03 0.00 1.25 0.00 0.00 42.46 42.27 3gk0 s ILE 159 CO 0.01 0.06 -0.11 -0.70 0.24 0.00 0.00 174.94 174.44 3gk0 s GLU 160 N -1.42 2.80 0.28 0.37 2.12 0.00 -0.23 118.70 122.62 3gk0 s GLU 160 Ca 0.05 -0.98 -0.27 0.00 0.36 0.00 0.00 54.97 54.13 3gk0 s GLU 160 Cb -0.09 -2.84 -0.09 0.00 0.26 0.00 0.00 34.13 31.37 3gk0 s GLU 160 CO 0.02 -0.36 0.92 -0.51 -0.54 0.00 0.00 175.26 174.79 3gk0 s LEU 161 N 1.28 4.48 -0.70 2.70 1.43 0.21 -1.45 118.68 126.63 3gk0 s LEU 161 Ca 0.00 1.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.70 3gk0 s LEU 161 Cb -0.16 -3.79 0.05 0.00 0.03 0.00 0.00 46.19 42.32 3gk0 s LEU 161 CO -0.07 0.04 1.12 -2.28 0.23 0.00 0.00 176.35 175.39 3gk0 s HIS 162 N -1.41 2.48 -1.94 0.29 5.65 -0.31 -4.23 115.29 115.82 3gk0 s HIS 162 Ca 0.45 -0.30 0.05 0.00 0.25 0.00 0.00 55.06 55.51 3gk0 s HIS 162 Cb -0.22 -4.45 0.14 0.00 -1.18 0.00 0.00 32.58 26.87 3gk0 s HIS 162 CO 0.27 -1.85 1.09 0.25 -0.65 0.00 0.00 174.74 173.85 3gk0 n THR 163 N 6.15 0.22 -0.02 0.89 -2.24 -1.26 -4.45 114.28 113.58 3gk0 n THR 163 Ca -0.00 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3gk0 n THR 163 Cb 0.47 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3gk0 n THR 163 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gk0 h GLY 164 N 5.62 0.05 1.10 3.38 0.00 -1.89 0.12 103.07 111.45 3gk0 h GLY 164 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3gk0 h GLY 164 CO 0.01 -0.10 0.24 3.21 0.00 0.00 0.00 176.54 179.89 3gk0 h ARG 165 N -0.07 1.13 -0.05 4.80 3.08 -1.91 0.32 114.38 121.67 3gk0 h ARG 165 Ca 0.09 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3gk0 h ARG 165 Cb 0.20 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 3gk0 h ARG 165 CO -0.20 0.96 -0.16 -0.92 -1.07 0.00 0.00 179.97 178.57 3gk0 h TYR 166 N 1.09 -0.42 -0.20 3.04 5.03 -1.77 -2.27 116.97 121.47 3gk0 h TYR 166 Ca 0.24 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.57 3gk0 h TYR 166 Cb 0.29 0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 3gk0 h TYR 166 CO 0.02 -0.24 0.13 0.00 -1.32 0.00 0.00 178.16 176.76 3gk0 h ALA 167 N 0.74 0.25 -0.17 1.82 0.00 -0.07 -2.93 119.26 118.90 3gk0 h ALA 167 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 167 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gk0 h ALA 167 CO -0.20 -0.27 0.00 -0.25 0.00 0.00 0.00 179.25 178.53 3gk0 n ASP 168 N -4.95 1.35 -4.68 0.00 8.00 0.11 -4.95 116.55 111.43 3gk0 n ASP 168 Ca -0.03 -2.07 -0.44 0.00 0.71 0.00 0.00 54.79 52.96 3gk0 n ASP 168 Cb 0.03 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 3gk0 n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk0 n ALA 169 N 0.08 1.28 0.08 2.24 0.00 -0.86 -4.90 120.51 118.43 3gk0 n ALA 169 Ca 0.06 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.79 3gk0 n ALA 169 Cb 0.26 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 3gk0 n ALA 169 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gk0 h HIS 170 N 3.99 0.41 -4.43 0.00 3.86 -1.92 -3.46 115.15 113.59 3gk0 h HIS 170 Ca -0.45 -0.24 -0.32 0.00 -1.16 0.00 0.00 60.37 58.20 3gk0 h HIS 170 Cb 1.27 -0.04 -0.11 0.00 1.06 0.00 0.00 27.41 29.59 3gk0 h HIS 170 CO 0.56 1.07 -0.36 0.16 0.86 0.00 0.00 177.93 180.22 3gk0 s ASP 171 N -7.00 0.99 0.25 2.45 3.84 -1.26 -5.06 116.67 110.88 3gk0 s ASP 171 Ca -0.04 -1.53 -0.01 0.00 -0.00 0.00 0.00 52.55 50.97 3gk0 s ASP 171 Cb 0.09 0.58 0.31 0.00 -1.38 0.00 0.00 42.92 42.52 3gk0 s ASP 171 CO 0.85 -1.13 1.71 0.00 -0.00 0.00 0.00 175.17 176.59 3gk0 h ALA 172 N 2.21 1.03 -0.60 2.11 0.00 -1.98 0.46 119.26 122.49 3gk0 h ALA 172 Ca -0.28 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 3gk0 h ALA 172 Cb 1.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3gk0 h ALA 172 CO 0.40 0.58 0.25 0.00 0.00 0.00 0.00 179.25 180.48 3gk0 h ALA 173 N 1.22 0.78 -0.28 0.00 0.00 -1.99 -0.37 119.26 118.61 3gk0 h ALA 173 Ca 0.10 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3gk0 h ALA 173 Cb 0.60 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gk0 h ALA 173 CO 0.04 0.38 -0.52 1.49 0.00 0.00 0.00 179.25 180.64 3gk0 h GLU 174 N 0.83 0.79 -0.58 0.00 4.81 -1.90 -2.62 114.58 115.91 3gk0 h GLU 174 Ca 0.20 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3gk0 h GLU 174 Cb 0.19 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3gk0 h GLU 174 CO -0.02 1.11 0.28 0.37 -0.73 0.00 0.00 179.01 180.03 3gk0 h GLN 175 N 0.62 0.83 -0.37 1.92 4.15 -0.72 -1.60 115.11 119.93 3gk0 h GLN 175 Ca 0.02 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.33 3gk0 h GLN 175 Cb 1.10 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 3gk0 h GLN 175 CO 0.11 0.67 0.24 0.37 -1.93 0.00 0.00 178.83 178.29 3gk0 h GLN 176 N 0.79 0.48 -0.22 1.69 4.15 -1.02 0.13 115.11 121.10 3gk0 h GLN 176 Ca 0.20 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.64 3gk0 h GLN 176 Cb 0.11 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.64 3gk0 h GLN 176 CO -0.03 0.31 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.00 3gk0 h ARG 177 N 0.49 -0.07 -0.46 1.69 2.43 -1.30 0.15 114.38 117.31 3gk0 h ARG 177 Ca 0.14 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3gk0 h ARG 177 Cb -0.04 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3gk0 h ARG 177 CO -0.04 -0.04 0.06 0.93 -1.51 0.00 0.00 179.97 179.37 3gk0 h GLU 178 N -0.07 0.72 -0.96 0.20 4.39 -1.06 -1.89 114.58 115.91 3gk0 h GLU 178 Ca 0.12 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3gk0 h GLU 178 Cb 0.25 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 3gk0 h GLU 178 CO -0.27 0.70 0.63 0.35 -1.16 0.00 0.00 179.01 179.26 3gk0 h PHE 179 N 0.69 1.19 -0.56 4.33 3.57 -0.16 -2.11 116.94 123.89 3gk0 h PHE 179 Ca 0.15 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.57 3gk0 h PHE 179 Cb 0.34 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3gk0 h PHE 179 CO 0.02 0.72 -0.06 0.93 -2.23 0.00 0.00 178.31 177.69 3gk0 h GLU 180 N 1.26 1.03 -0.83 1.11 5.08 -0.25 0.78 114.58 122.75 3gk0 h GLU 180 Ca 0.36 -0.36 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 3gk0 h GLU 180 Cb -0.08 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.01 3gk0 h GLU 180 CO -0.10 1.05 0.47 0.00 -1.00 0.00 0.00 179.01 179.43 3gk0 h ARG 181 N 0.91 0.74 -0.05 2.33 3.08 -1.13 0.55 114.38 120.82 3gk0 h ARG 181 Ca 0.15 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3gk0 h ARG 181 Cb 0.63 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 3gk0 h ARG 181 CO 0.04 0.49 -0.02 0.82 -1.07 0.00 0.00 179.97 180.23 3gk0 h ILE 182 N 0.76 1.32 -0.46 2.04 1.08 -0.79 0.21 117.51 121.68 3gk0 h ILE 182 Ca 0.41 -1.00 0.07 0.00 -0.39 0.00 0.00 64.86 63.96 3gk0 h ILE 182 Cb 0.41 1.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.99 3gk0 h ILE 182 CO -0.27 0.27 0.10 0.00 -0.69 0.00 0.00 178.15 177.56 3gk0 h ALA 183 N 0.62 0.51 0.00 1.87 0.00 -0.51 0.30 119.26 122.05 3gk0 h ALA 183 Ca 0.01 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3gk0 h ALA 183 Cb 0.44 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3gk0 h ALA 183 CO 0.01 -0.30 -0.72 1.79 0.00 0.00 0.00 179.25 180.03 3gk0 h THR 184 N 0.24 1.50 -0.69 0.00 1.35 -0.88 -2.18 112.91 112.24 3gk0 h THR 184 Ca 0.22 -2.47 0.03 0.00 -0.55 0.00 0.00 66.41 63.65 3gk0 h THR 184 Cb 0.28 2.34 -0.05 0.00 -1.73 0.00 0.00 68.15 68.99 3gk0 h THR 184 CO -0.28 0.70 0.43 1.23 -0.25 0.00 0.00 175.52 177.35 3gk0 h GLY 185 N 2.20 1.00 0.91 5.82 0.00 -0.35 -1.47 103.07 111.19 3gk0 h GLY 185 Ca -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3gk0 h GLY 185 CO 0.09 0.26 0.01 -2.08 0.00 0.00 0.00 176.54 174.83 3gk0 h VAL 186 N 0.83 1.08 -0.32 4.60 2.07 -0.53 -1.47 116.25 122.53 3gk0 h VAL 186 Ca 0.28 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3gk0 h VAL 186 Cb 0.04 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3gk0 h VAL 186 CO -0.12 0.07 0.02 0.44 0.02 0.00 0.00 177.57 178.00 3gk0 h ASP 187 N -0.05 -0.08 -0.84 0.57 3.32 -1.31 0.79 116.42 118.82 3gk0 h ASP 187 Ca 0.01 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3gk0 h ASP 187 Cb 0.09 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3gk0 h ASP 187 CO -0.00 -0.01 0.42 0.00 -1.72 0.00 0.00 179.24 177.93 3gk0 h ALA 188 N 1.26 1.08 -0.25 3.45 0.00 -1.17 -0.63 119.26 123.00 3gk0 h ALA 188 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3gk0 h ALA 188 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gk0 h ALA 188 CO -0.24 0.63 0.08 0.78 0.00 0.00 0.00 179.25 180.50 3gk0 h GLY 189 N 1.19 0.43 1.10 0.00 0.00 -0.71 -2.95 103.07 102.13 3gk0 h GLY 189 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3gk0 h GLY 189 CO -0.04 0.24 0.53 -2.22 0.00 0.00 0.00 176.54 175.05 3gk0 h ILE 190 N 0.24 1.24 0.00 2.60 1.08 -0.65 -1.66 117.51 120.37 3gk0 h ILE 190 Ca 0.08 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 3gk0 h ILE 190 Cb 0.25 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 3gk0 h ILE 190 CO -0.00 0.26 -0.03 0.00 -0.69 0.00 0.00 178.15 177.69 3gk0 h ALA 191 N 1.37 1.70 -0.45 1.87 0.00 -0.95 0.06 119.26 122.85 3gk0 h ALA 191 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gk0 h ALA 191 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gk0 h ALA 191 CO -0.06 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3gk0 n LEU 192 N -4.13 2.63 -0.30 0.00 4.32 -1.00 -4.93 117.00 113.59 3gk0 n LEU 192 Ca -0.03 -1.27 -0.04 0.00 -0.02 0.00 0.00 56.01 54.65 3gk0 n LEU 192 Cb 0.11 -0.30 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 3gk0 n LEU 192 CO 0.31 0.64 -0.04 0.61 -1.22 0.00 0.00 177.39 177.69 3gk0 n GLY 193 N 1.30 0.67 3.77 -0.72 0.00 0.01 -5.03 105.19 105.18 3gk0 n GLY 193 Ca 0.17 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 3gk0 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gk0 s LEU 194 N -0.88 4.50 0.17 0.99 1.43 -0.66 -5.00 118.68 119.22 3gk0 s LEU 194 Ca 0.00 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.58 3gk0 s LEU 194 Cb 0.00 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 3gk0 s LEU 194 CO 0.00 0.08 0.94 -0.75 0.23 0.00 0.00 176.35 176.85 3gk0 s LYS 195 N -1.57 4.77 -0.08 1.70 2.20 -0.82 -3.97 119.74 121.98 3gk0 s LYS 195 Ca 0.43 1.46 0.03 0.00 -0.36 0.00 0.00 55.97 57.53 3gk0 s LYS 195 Cb -0.22 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.78 3gk0 s LYS 195 CO 0.27 0.37 -0.17 0.54 -0.36 0.00 0.00 175.35 176.00 3gk0 s VAL 196 N -0.61 1.52 0.45 4.02 0.11 -1.26 -1.38 120.40 123.25 3gk0 s VAL 196 Ca 0.44 -0.70 0.07 0.00 -2.93 0.00 0.00 61.98 58.85 3gk0 s VAL 196 Cb -0.25 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.24 3gk0 s VAL 196 CO 0.31 0.44 0.32 0.20 -3.33 0.00 0.00 175.10 173.04 3gk0 s ASN 197 N 0.54 4.74 0.00 3.54 0.01 0.68 -1.23 114.94 123.21 3gk0 s ASN 197 Ca -0.16 -0.98 0.00 0.00 -0.71 0.00 0.00 52.86 51.00 3gk0 s ASN 197 Cb -0.17 -0.28 0.00 0.00 0.41 0.00 0.00 41.25 41.21 3gk0 s ASN 197 CO 0.06 -0.74 0.00 0.00 -1.51 0.00 0.00 177.10 174.91 3gk0 n ALA 198 N -1.51 0.00 0.00 0.60 0.00 -0.76 -0.62 120.51 118.23 3gk0 n ALA 198 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gk0 n ALA 198 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 3gk0 n ALA 198 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gk0 n GLY 199 N 0.00 1.71 3.67 0.00 0.00 -1.26 -0.03 105.19 109.28 3gk0 n GLY 199 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 3gk0 n GLY 199 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gk0 n HIS 200 N 0.00 2.51 -0.95 1.61 -0.00 -1.26 -1.90 115.22 115.24 3gk0 n HIS 200 Ca 0.00 -0.23 0.00 0.00 0.46 0.00 0.00 57.72 57.95 3gk0 n HIS 200 Cb 0.00 -2.75 0.00 0.00 -0.12 0.00 0.00 29.99 27.12 3gk0 n HIS 200 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3gk0 n GLY 201 N 4.40 1.06 3.75 1.57 0.00 -1.26 -3.19 105.19 111.52 3gk0 n GLY 201 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3gk0 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gk0 s LEU 202 N 0.00 4.59 0.00 0.99 1.43 -0.80 -4.78 118.68 120.11 3gk0 s LEU 202 Ca 0.00 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 3gk0 s LEU 202 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3gk0 s LEU 202 CO 0.00 -0.02 0.00 0.00 0.23 0.00 0.00 176.35 176.56 3gk0 n HIS 203 N 1.42 -0.07 1.24 0.29 1.44 -1.26 -4.50 115.22 113.77 3gk0 n HIS 203 Ca -0.01 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.84 3gk0 n HIS 203 Cb 0.46 0.00 0.69 0.00 0.12 0.00 0.00 29.99 31.26 3gk0 n HIS 203 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3gk0 n TYR 204 N 0.00 0.00 0.15 -1.40 4.02 -1.26 -2.50 117.16 116.18 3gk0 n TYR 204 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 3gk0 n TYR 204 Cb 0.00 -0.38 -0.01 0.00 -0.02 0.00 0.00 39.34 38.93 3gk0 n TYR 204 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3gk0 n THR 205 N -1.38 0.00 0.27 -0.72 -2.24 -1.26 -4.75 114.28 104.20 3gk0 n THR 205 Ca 0.11 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 3gk0 n THR 205 Cb 0.29 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 3gk0 n THR 205 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3gk0 n ASN 206 N -0.68 1.19 0.09 3.42 0.23 -1.18 -4.67 115.26 113.65 3gk0 n ASN 206 Ca 0.01 -1.09 -0.04 0.00 -0.53 0.00 0.00 54.58 52.92 3gk0 n ASN 206 Cb 0.06 0.27 -0.05 0.00 -2.08 0.00 0.00 39.78 37.99 3gk0 n ASN 206 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3gk0 h VAL 207 N 0.91 1.52 0.02 3.53 3.04 -1.78 -3.36 116.25 120.13 3gk0 h VAL 207 Ca 0.00 -3.03 0.02 0.00 -1.01 0.00 0.00 66.70 62.69 3gk0 h VAL 207 Cb 0.23 2.68 -0.03 0.00 -2.01 0.00 0.00 31.29 32.15 3gk0 h VAL 207 CO 0.00 0.84 -0.19 1.56 -1.01 0.00 0.00 177.57 178.77 3gk0 h GLN 208 N 0.00 -0.31 -0.26 4.17 7.50 -1.85 0.21 115.11 124.58 3gk0 h GLN 208 Ca -0.01 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.23 3gk0 h GLN 208 Cb 1.61 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 29.20 3gk0 h GLN 208 CO 0.11 -0.20 0.18 0.00 -1.50 0.00 0.00 178.83 177.42 3gk0 h ALA 209 N 0.57 2.21 0.24 3.87 0.00 -1.91 -0.03 119.26 124.21 3gk0 h ALA 209 Ca 0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 3gk0 h ALA 209 Cb 0.38 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.21 3gk0 h ALA 209 CO -0.16 -0.28 -1.56 0.82 0.00 0.00 0.00 179.25 178.07 3gk0 h ILE 210 N 0.03 1.19 0.00 0.00 1.08 -1.42 -3.31 117.51 115.08 3gk0 h ILE 210 Ca 0.12 -2.65 -0.05 0.00 -0.39 0.00 0.00 64.86 61.88 3gk0 h ILE 210 Cb 0.45 2.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.16 3gk0 h ILE 210 CO -0.01 0.82 -0.26 0.00 -0.69 0.00 0.00 178.15 178.02 3gk0 h ALA 211 N 0.15 1.08 0.00 1.87 0.00 0.08 -2.51 119.26 119.93 3gk0 h ALA 211 Ca -0.28 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3gk0 h ALA 211 Cb 2.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3gk0 h ALA 211 CO 0.25 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3gk0 n ALA 212 N -2.27 1.65 -2.39 0.00 0.00 -0.09 -3.88 120.51 113.53 3gk0 n ALA 212 Ca -0.00 0.05 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 3gk0 n ALA 212 Cb 0.41 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 3gk0 n ALA 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gk0 s LEU 213 N -4.11 3.91 0.53 0.00 1.43 -0.95 -4.83 118.68 114.65 3gk0 s LEU 213 Ca 0.05 1.29 0.27 0.00 -1.03 0.00 0.00 54.13 54.70 3gk0 s LEU 213 Cb 0.09 -3.54 1.47 0.00 0.03 0.00 0.00 46.19 44.24 3gk0 s LEU 213 CO 0.36 -1.07 2.09 -0.65 0.23 0.00 0.00 176.35 177.30 3gk0 h PRO 214 N 9.34 0.00 0.00 1.29 0.11 -1.89 -2.95 132.00 137.91 3gk0 h PRO 214 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3gk0 h PRO 214 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gk0 h PRO 214 CO 1.02 0.11 0.00 0.78 -0.21 0.00 0.00 178.00 179.70 3gk0 h GLY 215 N 0.74 0.00 -4.48 -0.55 0.00 -1.95 -3.45 103.07 93.39 3gk0 h GLY 215 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 3gk0 h GLY 215 CO 0.01 0.00 0.51 -0.42 0.00 0.00 0.00 176.54 176.64 3gk0 s ILE 216 N -3.28 4.34 -0.15 2.60 1.01 -1.12 -4.43 121.20 120.17 3gk0 s ILE 216 Ca 0.07 1.67 -0.15 0.00 0.00 0.00 0.00 60.65 62.24 3gk0 s ILE 216 Cb 0.09 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 3gk0 s ILE 216 CO 0.55 0.12 0.15 0.00 0.00 0.00 0.00 174.94 175.76 3gk0 h ALA 217 N 6.84 0.08 -3.71 9.38 0.00 -1.48 -3.47 119.26 126.90 3gk0 h ALA 217 Ca -0.41 -0.62 -0.33 0.00 0.00 0.00 0.00 54.91 53.56 3gk0 h ALA 217 Cb 1.21 0.38 -0.31 0.00 0.00 0.00 0.00 17.79 19.08 3gk0 h ALA 217 CO 0.80 0.37 -0.75 -2.00 0.00 0.00 0.00 179.25 177.67 3gk0 s GLU 218 N -2.13 0.40 -0.25 0.00 2.12 -1.26 -1.73 118.70 115.84 3gk0 s GLU 218 Ca -0.17 -0.08 -0.11 0.00 0.36 0.00 0.00 54.97 54.97 3gk0 s GLU 218 Cb 0.02 -0.44 -0.05 0.00 0.26 0.00 0.00 34.13 33.92 3gk0 s GLU 218 CO 0.37 0.00 0.20 -0.51 -0.54 0.00 0.00 175.26 174.79 3gk0 s LEU 219 N 0.36 4.08 -0.48 2.70 1.43 -0.66 -1.82 118.68 124.29 3gk0 s LEU 219 Ca -0.04 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.02 3gk0 s LEU 219 Cb -0.07 -2.16 0.08 0.00 0.03 0.00 0.00 46.19 44.07 3gk0 s LEU 219 CO -0.01 0.00 0.41 0.20 0.23 0.00 0.00 176.35 177.19 3gk0 s ASN 220 N 1.32 6.15 -0.07 2.29 0.01 0.95 -0.82 114.94 124.77 3gk0 s ASN 220 Ca 0.09 -1.34 0.05 0.00 -0.71 0.00 0.00 52.86 50.95 3gk0 s ASN 220 Cb -0.15 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3gk0 s ASN 220 CO 0.07 -0.67 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.12 3gk0 s ILE 221 N 1.69 2.14 0.00 0.60 1.01 0.73 -4.09 121.20 123.28 3gk0 s ILE 221 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3gk0 s ILE 221 Cb -0.24 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.43 3gk0 s ILE 221 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.18 3gk0 n GLY 222 N 3.13 0.41 0.26 6.18 0.00 -1.26 -0.74 105.19 113.18 3gk0 n GLY 222 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 3gk0 n GLY 222 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3gk0 h HIS 223 N 0.00 0.40 -0.55 1.61 -0.00 -1.91 -1.84 115.15 112.86 3gk0 h HIS 223 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 3gk0 h HIS 223 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.31 3gk0 h HIS 223 CO 0.00 0.03 0.15 0.00 -0.00 0.00 0.00 177.93 178.11 3gk0 h ALA 224 N 1.52 1.22 -0.32 5.26 0.00 -1.92 0.12 119.26 125.13 3gk0 h ALA 224 Ca 0.38 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3gk0 h ALA 224 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gk0 h ALA 224 CO -0.40 0.54 0.10 0.82 0.00 0.00 0.00 179.25 180.31 3gk0 h ILE 225 N 0.81 1.21 -0.60 0.00 2.04 -1.66 -0.74 117.51 118.56 3gk0 h ILE 225 Ca 0.18 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 3gk0 h ILE 225 Cb 0.28 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3gk0 h ILE 225 CO -0.00 0.23 0.15 0.58 0.00 0.00 0.00 178.15 179.11 3gk0 h VAL 226 N 0.37 1.25 -0.91 1.67 2.07 -1.15 0.42 116.25 119.96 3gk0 h VAL 226 Ca 0.10 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3gk0 h VAL 226 Cb 0.26 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3gk0 h VAL 226 CO -0.00 0.34 0.51 0.00 0.02 0.00 0.00 177.57 178.43 3gk0 h ALA 227 N 1.04 1.17 -0.15 1.67 0.00 -0.60 -2.53 119.26 119.85 3gk0 h ALA 227 Ca 0.19 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 3gk0 h ALA 227 Cb 0.35 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gk0 h ALA 227 CO 0.00 0.67 -0.74 1.25 0.00 0.00 0.00 179.25 180.42 3gk0 h HIS 228 N 1.27 0.97 -0.95 0.00 6.17 -0.83 -3.25 115.15 118.54 3gk0 h HIS 228 Ca 0.32 -0.42 0.10 0.00 0.71 0.00 0.00 60.37 61.08 3gk0 h HIS 228 Cb 0.02 -0.15 -0.08 0.00 2.52 0.00 0.00 27.41 29.71 3gk0 h HIS 228 CO 0.01 1.24 0.59 0.00 0.71 0.00 0.00 177.93 180.48 3gk0 h ALA 229 N 0.65 1.39 -0.99 5.26 0.00 -0.59 -1.74 119.26 123.25 3gk0 h ALA 229 Ca -0.04 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.04 3gk0 h ALA 229 Cb 1.36 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 3gk0 h ALA 229 CO 0.15 0.24 0.62 -0.39 0.00 0.00 0.00 179.25 179.87 3gk0 h VAL 230 N 0.98 0.81 0.02 0.00 -1.51 -1.49 0.53 116.25 115.59 3gk0 h VAL 230 Ca 0.45 -0.29 -0.29 0.00 -1.23 0.00 0.00 66.70 65.35 3gk0 h VAL 230 Cb 0.38 -0.10 -0.04 0.00 -2.13 0.00 0.00 31.29 29.40 3gk0 h VAL 230 CO -0.24 0.15 -1.61 -0.26 -1.23 0.00 0.00 177.57 174.39 3gk0 h PHE 231 N 0.84 0.06 0.00 5.19 0.04 -1.66 -3.42 116.94 117.99 3gk0 h PHE 231 Ca 0.52 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.25 3gk0 h PHE 231 Cb 0.72 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 3gk0 h PHE 231 CO -0.00 1.08 -0.99 0.28 -0.60 0.00 0.00 178.31 178.07 3gk0 n VAL 232 N -3.15 0.00 0.00 -0.55 0.31 -0.69 -5.11 118.33 109.14 3gk0 n VAL 232 Ca -0.15 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3gk0 n VAL 232 Cb 1.03 0.53 0.00 0.00 -0.91 0.00 0.00 33.84 34.49 3gk0 n VAL 232 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gk0 n GLY 233 N 1.98 0.86 0.12 2.92 0.00 0.18 -4.65 105.19 106.59 3gk0 n GLY 233 Ca -0.00 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 3gk0 n GLY 233 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3gk0 h TRP 234 N 0.00 -0.18 -0.91 1.61 2.91 -1.94 -1.37 115.95 116.07 3gk0 h TRP 234 Ca 0.00 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.16 3gk0 h TRP 234 Cb 0.00 0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 28.62 3gk0 h TRP 234 CO 0.00 0.04 0.52 0.22 -1.03 0.00 0.00 178.44 178.19 3gk0 h ASP 235 N -0.37 0.69 0.20 2.65 3.58 -1.91 -1.53 116.42 119.72 3gk0 h ASP 235 Ca -0.02 0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.29 3gk0 h ASP 235 Cb 0.30 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.30 3gk0 h ASP 235 CO 0.03 0.32 -0.86 0.78 -2.88 0.00 0.00 179.24 176.62 3gk0 h ASN 236 N 0.76 0.63 -0.55 2.28 2.35 -1.77 -1.72 115.58 117.56 3gk0 h ASN 236 Ca 0.49 -0.46 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 3gk0 h ASN 236 Cb 0.63 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3gk0 h ASN 236 CO -0.33 1.24 0.02 0.00 -1.65 0.00 0.00 177.43 176.71 3gk0 h ALA 237 N 0.73 0.74 0.25 -0.83 0.00 -0.72 -0.69 119.26 118.74 3gk0 h ALA 237 Ca -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3gk0 h ALA 237 Cb 1.48 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gk0 h ALA 237 CO 0.16 0.55 -0.12 0.28 0.00 0.00 0.00 179.25 180.11 3gk0 h VAL 238 N 0.84 0.79 -0.79 0.00 2.07 -1.31 -2.32 116.25 115.53 3gk0 h VAL 238 Ca 0.16 -0.66 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3gk0 h VAL 238 Cb 0.52 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3gk0 h VAL 238 CO 0.03 0.13 0.46 -0.09 0.02 0.00 0.00 177.57 178.12 3gk0 h ARG 239 N -0.70 0.78 -0.31 1.57 2.43 -1.27 -1.40 114.38 115.49 3gk0 h ARG 239 Ca -0.03 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 3gk0 h ARG 239 Cb 0.48 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3gk0 h ARG 239 CO 0.06 0.52 0.03 1.49 -1.51 0.00 0.00 179.97 180.56 3gk0 h GLU 240 N 0.81 0.52 -0.84 0.20 4.81 -1.12 -1.01 114.58 117.95 3gk0 h GLU 240 Ca 0.36 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3gk0 h GLU 240 Cb 0.26 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 3gk0 h GLU 240 CO -0.21 0.63 0.41 1.98 -0.73 0.00 0.00 179.01 181.09 3gk0 h MET 241 N 0.34 1.20 -0.53 1.92 4.05 -1.02 -1.49 114.93 119.40 3gk0 h MET 241 Ca 0.09 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.32 3gk0 h MET 241 Cb 0.37 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.93 3gk0 h MET 241 CO 0.01 0.91 0.24 -0.22 0.23 0.00 0.00 176.91 178.08 3gk0 h LYS 242 N 1.18 0.77 -0.73 0.39 1.63 -1.08 -1.98 116.57 116.75 3gk0 h LYS 242 Ca 0.29 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.91 3gk0 h LYS 242 Cb 0.10 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3gk0 h LYS 242 CO -0.04 0.65 0.23 0.00 -3.45 0.00 0.00 179.45 176.84 3gk0 h ALA 243 N 1.08 0.95 -0.45 5.00 0.00 -0.91 -1.49 119.26 123.45 3gk0 h ALA 243 Ca 0.18 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3gk0 h ALA 243 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3gk0 h ALA 243 CO -0.02 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.76 3gk0 h ILE 244 N 1.08 1.24 -0.06 0.00 2.04 -1.15 -1.55 117.51 119.11 3gk0 h ILE 244 Ca 0.23 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3gk0 h ILE 244 Cb 0.31 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3gk0 h ILE 244 CO -0.01 0.31 0.04 0.24 0.00 0.00 0.00 178.15 178.73 3gk0 h MET 245 N 0.60 0.07 -0.69 2.37 2.86 -1.18 -1.57 114.93 117.40 3gk0 h MET 245 Ca 0.14 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3gk0 h MET 245 Cb 0.38 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3gk0 h MET 245 CO 0.01 0.07 0.33 0.28 1.06 0.00 0.00 176.91 178.66 3gk0 h VAL 246 N 0.06 1.22 -0.26 -2.22 2.07 -1.21 0.14 116.25 116.04 3gk0 h VAL 246 Ca 0.02 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 3gk0 h VAL 246 Cb 0.01 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3gk0 h VAL 246 CO -0.00 0.26 -0.26 0.00 0.02 0.00 0.00 177.57 177.59 3gk0 h ALA 247 N 1.38 0.39 -0.06 1.67 0.00 -1.10 -1.41 119.26 120.14 3gk0 h ALA 247 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3gk0 h ALA 247 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gk0 h ALA 247 CO -0.03 0.38 0.03 0.00 0.00 0.00 0.00 179.25 179.63 3gk0 h ALA 248 N 0.69 0.08 0.13 0.00 0.00 -1.12 -1.92 119.26 117.12 3gk0 h ALA 248 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 248 Cb 0.82 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3gk0 h ALA 248 CO 0.06 -0.36 -0.30 -0.09 0.00 0.00 0.00 179.25 178.56 3gk0 h ARG 249 N -0.01 -0.51 -0.22 0.00 9.65 -0.88 -1.91 114.38 120.50 3gk0 h ARG 249 Ca 0.02 0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.89 3gk0 h ARG 249 Cb 0.11 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 3gk0 h ARG 249 CO -0.00 -0.34 -0.06 0.28 2.80 0.00 0.00 179.97 182.64 3gk0 h VAL 250 N -0.53 1.29 -0.32 0.20 2.07 -1.28 -2.23 116.25 115.45 3gk0 h VAL 250 Ca 0.03 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 3gk0 h VAL 250 Cb 0.56 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3gk0 h VAL 250 CO -0.17 0.33 0.06 0.00 0.02 0.00 0.00 177.57 177.81 3gk0 h ALA 251 N 0.74 1.51 -0.12 1.67 0.00 -1.33 -1.33 119.26 120.40 3gk0 h ALA 251 Ca 0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3gk0 h ALA 251 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gk0 h ALA 251 CO 0.02 0.36 -0.48 0.00 0.00 0.00 0.00 179.25 179.15 3gk0 h ALA 252 N 1.61 0.96 -0.24 0.00 0.00 -1.15 -3.15 119.26 117.29 3gk0 h ALA 252 Ca 0.11 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 3gk0 h ALA 252 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gk0 h ALA 252 CO -0.00 0.65 -0.56 -0.07 0.00 0.00 0.00 179.25 179.27 3gk0 h LEU 253 N 0.24 0.91 0.00 0.00 3.38 -0.80 -3.51 115.31 115.53 3gk0 h LEU 253 Ca 0.01 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3gk0 h LEU 253 Cb 0.94 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3gk0 h LEU 253 CO 0.08 1.31 0.00 0.00 0.09 0.00 0.00 178.44 179.91