#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 -0.51 0.15 -5.13 -0.71 -1.26 -5.01 117.98 105.52 3gk0 s PHE 4 Ca 0.00 0.69 -0.12 0.00 -1.04 0.00 0.00 56.93 56.46 3gk0 s PHE 4 Cb 0.00 0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 42.12 3gk0 s PHE 4 CO 0.00 -0.63 0.51 -0.51 -1.34 0.00 0.00 175.22 173.25 3gk0 s LEU 5 N -1.71 4.30 -0.60 -1.99 1.02 -1.26 -5.02 118.68 113.41 3gk0 s LEU 5 Ca -0.07 0.96 -0.02 0.00 0.02 0.00 0.00 54.13 55.02 3gk0 s LEU 5 Cb -0.01 -3.30 0.31 0.00 0.02 0.00 0.00 46.19 43.22 3gk0 s LEU 5 CO 0.02 0.08 2.15 1.07 0.02 0.00 0.00 176.35 179.68 3gk0 n THR 6 N 0.59 3.40 -1.71 5.49 5.66 -1.26 -4.99 114.28 121.46 3gk0 n THR 6 Ca -0.04 -3.00 -0.43 0.00 -3.05 0.00 0.00 64.05 57.53 3gk0 n THR 6 Cb 0.52 -1.29 -0.03 0.00 -1.55 0.00 0.00 70.33 67.98 3gk0 n THR 6 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3gk0 n THR 7 N -0.28 0.11 0.68 1.09 -2.24 -1.26 -4.89 114.28 107.49 3gk0 n THR 7 Ca 0.52 -0.03 0.08 0.00 -2.27 0.00 0.00 64.05 62.35 3gk0 n THR 7 Cb 0.52 -1.85 0.38 0.00 -2.10 0.00 0.00 70.33 67.28 3gk0 n THR 7 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3gk0 n PRO 8 N 3.63 0.15 0.00 -0.78 -0.04 -1.26 -3.62 135.00 133.07 3gk0 n PRO 8 Ca 0.16 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.83 3gk0 n PRO 8 Cb 0.33 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.57 3gk0 n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gk0 n ALA 9 N -1.36 2.37 0.13 0.55 0.00 -1.26 -3.84 120.51 117.11 3gk0 n ALA 9 Ca 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3gk0 n ALA 9 Cb 0.15 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 2.99 0.69 -2.45 0.00 0.00 -1.97 -3.45 119.26 115.07 3gk0 h ALA 10 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3gk0 h ALA 10 Cb 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.48 3gk0 h ALA 10 CO 0.00 0.72 -0.10 -1.50 0.00 0.00 0.00 179.25 178.37 3gk0 s ILE 11 N -3.07 0.01 -0.00 0.00 2.07 -1.25 -5.02 121.20 113.93 3gk0 s ILE 11 Ca 0.02 -0.07 -0.01 0.00 -1.41 0.00 0.00 60.65 59.19 3gk0 s ILE 11 Cb 0.09 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 3gk0 s ILE 11 CO 0.75 -0.04 0.10 -1.81 -1.91 0.00 0.00 174.94 172.03 3gk0 s ASP 12 N -0.11 5.78 -0.16 4.50 1.01 -0.88 -4.91 116.67 121.90 3gk0 s ASP 12 Ca -0.03 0.18 -0.01 0.00 0.71 0.00 0.00 52.55 53.39 3gk0 s ASP 12 Cb -0.03 -1.69 -0.01 0.00 1.01 0.00 0.00 42.92 42.20 3gk0 s ASP 12 CO 0.02 0.27 -0.11 -0.22 0.21 0.00 0.00 175.17 175.34 3gk0 s LEU 13 N -1.78 2.73 -0.23 1.23 2.96 -1.26 -1.15 118.68 121.18 3gk0 s LEU 13 Ca 0.24 -0.37 -0.10 0.00 -0.22 0.00 0.00 54.13 53.68 3gk0 s LEU 13 Cb -0.12 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3gk0 s LEU 13 CO 0.15 0.10 0.13 -0.83 -1.32 0.00 0.00 176.35 174.58 3gk0 s GLY 14 N 0.76 1.94 -0.26 7.98 0.00 0.79 -1.39 107.32 117.13 3gk0 s GLY 14 Ca -0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 3gk0 s GLY 14 CO 0.01 0.36 0.41 0.14 0.00 0.00 0.00 173.10 174.02 3gk0 s VAL 15 N 1.02 5.15 -0.23 1.40 1.01 -0.82 0.14 120.40 128.07 3gk0 s VAL 15 Ca 0.06 0.66 -0.21 0.00 0.00 0.00 0.00 61.98 62.49 3gk0 s VAL 15 Cb -0.14 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3gk0 s VAL 15 CO 0.04 0.15 0.67 0.21 0.00 0.00 0.00 175.10 176.17 3gk0 s ASN 16 N 1.53 6.66 0.00 3.32 3.84 0.03 -0.26 114.94 130.07 3gk0 s ASN 16 Ca 0.17 0.81 0.22 0.00 0.21 0.00 0.00 52.86 54.27 3gk0 s ASN 16 Cb -0.16 -2.36 0.54 0.00 -0.55 0.00 0.00 41.25 38.72 3gk0 s ASN 16 CO 0.09 -0.36 1.46 2.30 -2.79 0.00 0.00 177.10 177.80 3gk0 n ILE 17 N 5.03 0.67 -0.27 -5.21 -5.35 -0.76 -4.42 119.36 109.05 3gk0 n ILE 17 Ca 0.00 -0.79 -0.00 0.00 -0.27 0.00 0.00 62.75 61.70 3gk0 n ILE 17 Cb 0.49 0.67 0.07 0.00 -1.74 0.00 0.00 39.64 39.12 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 4.01 -0.95 1.08 7.28 3.32 -1.93 -1.94 116.42 127.28 3gk0 h ASP 18 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gk0 h ASP 18 Cb 0.90 0.56 0.00 0.00 0.22 0.00 0.00 39.33 41.01 3gk0 h ASP 18 CO 0.00 -0.28 0.00 1.41 -1.72 0.00 0.00 179.24 178.65 3gk0 n HIS 19 N -5.49 0.35 -0.14 4.55 8.25 -1.26 -1.02 115.22 120.45 3gk0 n HIS 19 Ca 0.09 0.11 -0.09 0.00 -0.26 0.00 0.00 57.72 57.57 3gk0 n HIS 19 Cb 0.39 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 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 1.23 -0.75 1.59 2.07 -1.69 -2.46 116.25 116.23 3gk0 h VAL 20 Ca 0.00 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.79 3gk0 h VAL 20 Cb 0.54 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 3gk0 h VAL 20 CO 0.00 0.27 0.47 0.00 0.02 0.00 0.00 177.57 178.32 3gk0 h ALA 21 N 0.97 0.99 -0.89 1.67 0.00 -1.02 -1.98 119.26 119.01 3gk0 h ALA 21 Ca 0.13 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3gk0 h ALA 21 Cb 0.29 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3gk0 h ALA 21 CO -0.00 0.23 0.56 1.15 0.00 0.00 0.00 179.25 181.19 3gk0 h THR 22 N 0.89 1.06 -0.45 0.00 2.02 -1.22 0.08 112.91 115.28 3gk0 h THR 22 Ca 0.31 -0.35 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 3gk0 h THR 22 Cb 0.07 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3gk0 h THR 22 CO -0.13 0.19 -0.22 0.25 0.37 0.00 0.00 175.52 175.97 3gk0 h LEU 23 N 1.02 0.98 -0.43 2.58 5.85 -1.12 -2.97 115.31 121.21 3gk0 h LEU 23 Ca 0.38 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3gk0 h LEU 23 Cb 0.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 3gk0 h LEU 23 CO -0.17 1.17 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.00 3gk0 h ARG 24 N 0.80 0.77 0.00 1.25 2.43 -0.73 -3.07 114.38 115.83 3gk0 h ARG 24 Ca 0.10 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3gk0 h ARG 24 Cb 0.80 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3gk0 h ARG 24 CO 0.07 0.85 -0.09 -0.91 -1.51 0.00 0.00 179.97 178.37 3gk0 h ASN 25 N 0.61 0.00 0.40 -3.80 4.21 -0.98 -1.94 115.58 114.09 3gk0 h ASN 25 Ca 0.12 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.63 3gk0 h ASN 25 Cb 0.50 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3gk0 h ASN 25 CO 0.02 0.09 0.00 0.00 -1.29 0.00 0.00 177.43 176.26 3gk0 n ALA 26 N -2.27 1.49 -0.03 -0.83 0.00 -1.13 -3.62 120.51 114.13 3gk0 n ALA 26 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 3gk0 n ALA 26 Cb 0.21 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 3gk0 n ALA 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gk0 n ARG 27 N -1.62 1.24 0.00 0.00 3.00 -0.75 -5.05 116.66 113.48 3gk0 n ARG 27 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 3gk0 n ARG 27 Cb 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.48 3gk0 n ARG 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gk0 n GLY 28 N 3.06 3.30 1.60 5.14 0.00 -1.05 -5.08 105.19 112.16 3gk0 n GLY 28 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 0.00 1.66 2.61 -2.24 -1.26 -4.96 114.28 108.09 3gk0 n THR 29 Ca 0.00 -0.39 0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3gk0 n THR 29 Cb 0.00 -1.75 0.57 0.00 -2.10 0.00 0.00 70.33 67.06 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 -3.39 2.59 -2.42 6.98 0.00 -1.26 -4.79 120.51 118.22 3gk0 n ALA 30 Ca -0.09 -0.33 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 3gk0 n ALA 30 Cb 0.24 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.94 1.94 0.36 0.00 1.51 -1.26 -3.33 117.35 114.63 3gk0 s TYR 31 Ca 0.35 -0.37 -0.26 0.00 -1.01 0.00 0.00 57.07 55.78 3gk0 s TYR 31 Cb 0.18 -1.23 -0.09 0.00 -0.11 0.00 0.00 41.96 40.71 3gk0 s TYR 31 CO 0.29 0.01 1.09 -1.25 -1.11 0.00 0.00 175.55 174.57 3gk0 s PRO 32 N -0.70 4.31 -0.39 -1.71 0.04 -1.26 -4.32 135.00 130.96 3gk0 s PRO 32 Ca 0.08 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 3gk0 s PRO 32 Cb -0.09 -2.79 0.02 0.00 0.04 0.00 0.00 34.50 31.69 3gk0 s PRO 32 CO -0.00 -0.05 0.93 0.34 0.04 0.00 0.00 177.00 178.26 3gk0 s ASP 33 N -1.26 6.63 0.37 6.66 2.15 -1.21 -4.51 116.67 125.50 3gk0 s ASP 33 Ca 0.53 0.47 0.07 0.00 0.43 0.00 0.00 52.55 54.05 3gk0 s ASP 33 Cb -0.27 -2.46 0.78 0.00 -0.30 0.00 0.00 42.92 40.67 3gk0 s ASP 33 CO 0.34 -0.91 1.94 -0.65 -0.17 0.00 0.00 175.17 175.73 3gk0 h PRO 34 N 8.64 0.69 -0.57 4.34 0.11 -1.87 -1.58 132.00 141.76 3gk0 h PRO 34 Ca -0.23 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3gk0 h PRO 34 Cb 1.08 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 3gk0 h PRO 34 CO 0.99 0.46 0.24 0.28 -0.21 0.00 0.00 178.00 179.76 3gk0 h VAL 35 N 0.71 1.22 -0.50 3.15 2.07 -1.92 -0.90 116.25 120.08 3gk0 h VAL 35 Ca 0.33 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 3gk0 h VAL 35 Cb 0.36 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3gk0 h VAL 35 CO -0.12 0.26 -0.13 -0.09 0.02 0.00 0.00 177.57 177.51 3gk0 h ARG 36 N 0.78 0.96 -0.21 1.57 2.43 -1.87 -2.41 114.38 115.63 3gk0 h ARG 36 Ca 0.19 -0.36 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3gk0 h ARG 36 Cb 0.18 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3gk0 h ARG 36 CO -0.02 1.02 -0.02 0.00 -1.51 0.00 0.00 179.97 179.45 3gk0 h ALA 37 N 0.99 0.17 -0.35 2.80 0.00 -0.94 0.54 119.26 122.48 3gk0 h ALA 37 Ca 0.13 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3gk0 h ALA 37 Cb 0.68 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3gk0 h ALA 37 CO 0.05 -0.45 0.13 0.00 0.00 0.00 0.00 179.25 178.99 3gk0 h ALA 38 N 1.19 0.41 -0.36 0.00 0.00 -1.05 0.13 119.26 119.58 3gk0 h ALA 38 Ca 0.10 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 3gk0 h ALA 38 Cb 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gk0 h ALA 38 CO -0.19 -0.25 -0.35 -0.07 0.00 0.00 0.00 179.25 178.38 3gk0 h LEU 39 N 0.29 0.87 -0.89 0.00 3.38 -1.21 -2.34 115.31 115.40 3gk0 h LEU 39 Ca 0.15 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3gk0 h LEU 39 Cb 0.11 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3gk0 h LEU 39 CO -0.14 1.13 0.06 0.00 0.09 0.00 0.00 178.44 179.58 3gk0 h ALA 40 N 0.91 1.09 -0.76 1.53 0.00 -0.65 -2.49 119.26 118.89 3gk0 h ALA 40 Ca 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3gk0 h ALA 40 Cb 0.91 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3gk0 h ALA 40 CO 0.08 0.59 0.27 0.00 0.00 0.00 0.00 179.25 180.20 3gk0 h ALA 41 N 1.23 1.05 -0.63 0.00 0.00 -0.46 -0.33 119.26 120.12 3gk0 h ALA 41 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gk0 h ALA 41 Cb 0.41 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3gk0 h ALA 41 CO 0.01 0.66 0.29 0.93 0.00 0.00 0.00 179.25 181.14 3gk0 h GLU 42 N 1.11 0.92 0.00 0.00 5.08 -1.33 -0.70 114.58 119.67 3gk0 h GLU 42 Ca 0.25 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 3gk0 h GLU 42 Cb 0.25 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gk0 h GLU 42 CO -0.02 0.75 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.17 3gk0 h ASP 43 N 0.88 0.00 -0.05 1.42 3.32 -0.96 -2.14 116.42 118.88 3gk0 h ASP 43 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gk0 h ASP 43 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3gk0 h ASP 43 CO -0.03 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 3gk0 n ALA 44 N -2.42 2.59 0.00 3.45 0.00 -0.18 -4.92 120.51 119.02 3gk0 n ALA 44 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3gk0 n ALA 44 Cb 0.22 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.08 1.09 3.76 0.00 0.00 -0.80 -4.05 105.19 106.27 3gk0 n GLY 45 Ca 0.18 0.00 -0.41 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 3.55 -0.86 4.61 0.00 -0.34 -4.87 121.76 121.86 3gk0 s ALA 46 Ca 0.00 1.34 0.24 0.00 0.00 0.00 0.00 51.96 53.54 3gk0 s ALA 46 Cb 0.00 -3.53 0.37 0.00 0.00 0.00 0.00 23.12 19.96 3gk0 s ALA 46 CO 0.00 -0.74 1.31 -0.25 0.00 0.00 0.00 175.76 176.08 3gk0 n ASP 47 N 1.26 0.58 -3.51 0.00 8.00 -0.49 -4.54 116.55 117.85 3gk0 n ASP 47 Ca 0.02 -0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 3gk0 n ASP 47 Cb 0.41 0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.81 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 -3.07 -1.77 -0.15 2.24 0.00 -1.15 -3.74 121.76 114.11 3gk0 s ALA 48 Ca 0.09 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.18 3gk0 s ALA 48 Cb 0.16 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3gk0 s ALA 48 CO 0.73 -0.48 -0.04 0.42 0.00 0.00 0.00 175.76 176.39 3gk0 s ILE 49 N -1.93 3.83 -0.07 0.00 -1.09 0.86 -1.95 121.20 120.86 3gk0 s ILE 49 Ca -0.05 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 3gk0 s ILE 49 Cb -0.00 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3gk0 s ILE 49 CO 0.01 0.50 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.20 3gk0 s THR 50 N 0.36 3.12 -0.16 2.92 2.01 0.64 -0.23 115.64 124.30 3gk0 s THR 50 Ca -0.05 -0.68 -0.15 0.00 0.31 0.00 0.00 61.69 61.12 3gk0 s THR 50 Cb -0.14 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.16 3gk0 s THR 50 CO 0.03 0.58 0.44 -1.48 -0.69 0.00 0.00 174.62 173.49 3gk0 s LEU 51 N -0.47 0.30 -0.43 4.42 2.34 -0.90 -1.82 118.68 122.13 3gk0 s LEU 51 Ca 0.06 0.88 -0.09 0.00 0.06 0.00 0.00 54.13 55.04 3gk0 s LEU 51 Cb -0.12 1.50 0.08 0.00 -0.56 0.00 0.00 46.19 47.09 3gk0 s LEU 51 CO 0.02 -0.15 0.28 -2.28 -1.06 0.00 0.00 176.35 173.15 3gk0 s HIS 52 N 0.29 3.35 -0.94 3.48 5.65 -1.26 -1.23 115.29 124.63 3gk0 s HIS 52 Ca -0.00 -1.55 -0.24 0.00 0.25 0.00 0.00 55.06 53.52 3gk0 s HIS 52 Cb -0.03 -3.05 0.05 0.00 -1.18 0.00 0.00 32.58 28.37 3gk0 s HIS 52 CO -0.00 -0.87 1.38 -1.17 -0.65 0.00 0.00 174.74 173.43 3gk0 s LEU 53 N 1.43 3.52 0.55 8.88 0.20 -0.99 -4.40 118.68 127.87 3gk0 s LEU 53 Ca 0.03 -1.23 -0.19 0.00 0.69 0.00 0.00 54.13 53.43 3gk0 s LEU 53 Cb -0.24 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.92 3gk0 s LEU 53 CO 0.02 -1.56 1.12 -0.13 -0.29 0.00 0.00 176.35 175.51 3gk0 s ARG 54 N 5.02 3.31 0.29 1.98 0.52 -1.26 -4.71 118.95 124.10 3gk0 s ARG 54 Ca 0.42 1.57 0.01 0.00 -0.52 0.00 0.00 55.73 57.22 3gk0 s ARG 54 Cb -0.03 -2.00 0.56 0.00 0.52 0.00 0.00 34.95 34.00 3gk0 s ARG 54 CO -0.03 -0.87 1.86 1.49 0.02 0.00 0.00 175.30 177.77 3gk0 h GLU 55 N 1.08 0.97 -0.03 3.54 4.57 -1.97 -1.10 114.58 121.63 3gk0 h GLU 55 Ca -0.50 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3gk0 h GLU 55 Cb 1.26 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 3gk0 h GLU 55 CO 0.57 0.64 0.00 -0.40 -1.18 0.00 0.00 179.01 178.64 3gk0 n ASP 56 N -4.56 0.75 -3.80 1.04 5.68 -1.26 -4.93 116.55 109.46 3gk0 n ASP 56 Ca 0.17 -1.35 -0.30 0.00 -0.50 0.00 0.00 54.79 52.82 3gk0 n ASP 56 Cb 0.30 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 -0.37 -4.16 0.01 0.11 5.12 -0.42 -4.86 116.66 112.10 3gk0 n ARG 57 Ca 0.19 0.50 -0.01 0.00 -1.93 0.00 0.00 57.85 56.60 3gk0 n ARG 57 Cb 0.22 -5.29 0.26 0.00 -1.16 0.00 0.00 32.46 26.49 3gk0 n ARG 57 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gk0 h ARG 58 N -1.54 0.49 0.00 5.56 -0.00 -1.92 -3.43 114.38 113.54 3gk0 h ARG 58 Ca -0.53 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 58.81 3gk0 h ARG 58 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.26 3gk0 h ARG 58 CO 0.66 0.60 0.00 -2.39 0.00 0.00 0.00 179.97 178.84 3gk0 n HIS 59 N -4.22 0.00 -2.36 3.04 -0.00 -1.26 -4.91 115.22 105.51 3gk0 n HIS 59 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.35 3gk0 n HIS 59 Cb 0.31 0.07 -0.02 0.00 -0.00 0.00 0.00 29.99 30.34 3gk0 n HIS 59 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3gk0 s ILE 60 N -0.45 3.32 0.27 0.61 -1.09 -1.26 -4.70 121.20 117.90 3gk0 s ILE 60 Ca 0.00 1.07 0.04 0.00 -2.23 0.00 0.00 60.65 59.53 3gk0 s ILE 60 Cb 0.00 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.24 3gk0 s ILE 60 CO 0.00 0.07 -0.00 0.68 -1.23 0.00 0.00 174.94 174.45 3gk0 s VAL 61 N -1.49 1.26 0.29 2.92 -7.23 -1.26 -4.48 120.40 110.41 3gk0 s VAL 61 Ca 0.58 -2.05 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3gk0 s VAL 61 Cb -0.28 -2.51 0.26 0.00 0.56 0.00 0.00 36.38 34.41 3gk0 s VAL 61 CO 0.35 -0.22 1.96 0.44 -0.31 0.00 0.00 175.10 177.32 3gk0 h ASP 62 N 2.31 0.99 -0.77 4.85 5.19 -1.96 -1.73 116.42 125.29 3gk0 h ASP 62 Ca -0.39 -0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.03 3gk0 h ASP 62 Cb 1.23 -0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 3gk0 h ASP 62 CO 0.67 0.72 0.49 0.00 -3.12 0.00 0.00 179.24 177.99 3gk0 h ALA 63 N 1.46 1.03 0.13 3.45 0.00 -1.98 0.09 119.26 123.43 3gk0 h ALA 63 Ca 0.32 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3gk0 h ALA 63 Cb -0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.38 3gk0 h ALA 63 CO -0.07 0.27 -0.25 -0.44 0.00 0.00 0.00 179.25 178.76 3gk0 h ASP 64 N 0.93 -0.70 -0.76 0.00 3.45 -1.73 -1.25 116.42 116.36 3gk0 h ASP 64 Ca 0.32 0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.86 3gk0 h ASP 64 Cb 0.05 0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 3gk0 h ASP 64 CO -0.13 -0.34 0.47 0.58 -1.57 0.00 0.00 179.24 178.25 3gk0 h VAL 65 N -0.46 1.21 -0.11 -1.35 2.07 -1.17 -1.74 116.25 114.70 3gk0 h VAL 65 Ca 0.03 -0.45 -0.22 0.00 0.82 0.00 0.00 66.70 66.88 3gk0 h VAL 65 Cb 0.48 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3gk0 h VAL 65 CO -0.13 0.22 -0.80 0.03 0.02 0.00 0.00 177.57 176.91 3gk0 h ARG 66 N 1.04 0.66 0.00 1.57 3.08 -0.78 -2.10 114.38 117.85 3gk0 h ARG 66 Ca 0.28 -0.56 -0.17 0.00 0.07 0.00 0.00 59.98 59.60 3gk0 h ARG 66 Cb -0.06 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3gk0 h ARG 66 CO -0.05 1.17 -0.80 1.79 -1.07 0.00 0.00 179.97 181.01 3gk0 h THR 67 N 0.44 1.53 -0.22 2.04 1.35 -1.19 -3.32 112.91 113.54 3gk0 h THR 67 Ca -0.05 -2.77 -0.17 0.00 -0.55 0.00 0.00 66.41 62.87 3gk0 h THR 67 Cb 1.41 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3gk0 h THR 67 CO 0.15 0.78 -0.54 0.25 -0.25 0.00 0.00 175.52 175.92 3gk0 h LEU 68 N 0.00 0.73 -0.61 3.87 5.85 -1.20 -3.36 115.31 120.59 3gk0 h LEU 68 Ca -0.01 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3gk0 h LEU 68 Cb 1.44 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 3gk0 h LEU 68 CO 0.10 1.13 0.35 -0.09 -0.34 0.00 0.00 178.44 179.59 3gk0 h ARG 69 N 0.51 0.64 0.00 1.25 9.65 -1.48 -0.42 114.38 124.54 3gk0 h ARG 69 Ca 0.01 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3gk0 h ARG 69 Cb 1.10 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.54 3gk0 h ARG 69 CO 0.11 0.42 0.00 -0.35 2.80 0.00 0.00 179.97 182.95 3gk0 n PRO 70 N -4.79 0.38 -0.02 0.20 -0.04 -1.26 -3.78 135.00 125.69 3gk0 n PRO 70 Ca 0.06 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 3gk0 n PRO 70 Cb 0.13 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.93 3gk0 n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gk0 n ARG 71 N -1.28 0.67 -1.66 0.54 5.12 -0.25 -4.98 116.66 114.82 3gk0 n ARG 71 Ca 0.13 -0.16 -0.49 0.00 -1.93 0.00 0.00 57.85 55.39 3gk0 n ARG 71 Cb 0.21 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.96 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3gk0 n VAL 72 N -2.31 0.19 0.06 1.55 0.31 -0.72 -4.89 118.33 112.53 3gk0 n VAL 72 Ca -0.08 -0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.30 3gk0 n VAL 72 Cb 0.64 -1.43 -0.06 0.00 -0.91 0.00 0.00 33.84 32.08 3gk0 n VAL 72 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3gk0 n LYS 73 N 4.32 0.62 0.00 5.55 3.00 -1.26 -4.88 118.16 125.52 3gk0 n LYS 73 Ca 0.20 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 3gk0 n LYS 73 Cb 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 35.03 33.53 3gk0 n LYS 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3gk0 n THR 74 N -2.61 0.00 -4.27 3.15 -2.24 -1.26 -5.13 114.28 101.91 3gk0 n THR 74 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.57 3gk0 n THR 74 Cb 0.62 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.76 0.64 -0.20 -0.78 0.52 -1.25 -5.03 118.95 114.62 3gk0 s ARG 75 Ca 0.00 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.73 3gk0 s ARG 75 Cb 0.00 -0.60 -0.05 0.00 0.52 0.00 0.00 34.95 34.82 3gk0 s ARG 75 CO 0.00 0.16 0.14 1.41 0.02 0.00 0.00 175.30 177.03 3gk0 s MET 76 N -0.44 4.19 -0.38 3.54 -2.45 -1.26 -0.09 119.30 122.41 3gk0 s MET 76 Ca 0.01 -0.21 -0.02 0.00 -1.25 0.00 0.00 55.69 54.22 3gk0 s MET 76 Cb -0.04 -3.43 0.09 0.00 1.25 0.00 0.00 34.83 32.71 3gk0 s MET 76 CO -0.00 0.28 0.15 1.21 1.05 0.00 0.00 175.02 177.71 3gk0 s ASN 77 N 0.40 5.16 -0.26 1.11 2.47 0.69 -1.27 114.94 123.23 3gk0 s ASN 77 Ca 0.08 -1.85 -0.20 0.00 0.42 0.00 0.00 52.86 51.32 3gk0 s ASN 77 Cb -0.11 -1.80 -0.02 0.00 -1.45 0.00 0.00 41.25 37.87 3gk0 s ASN 77 CO -0.01 -0.47 0.62 -0.22 -3.72 0.00 0.00 177.10 173.29 3gk0 s LEU 78 N 1.16 4.07 -0.03 3.21 0.20 -0.75 -2.11 118.68 124.43 3gk0 s LEU 78 Ca 0.05 0.65 -0.19 0.00 0.69 0.00 0.00 54.13 55.33 3gk0 s LEU 78 Cb -0.22 -2.83 -0.05 0.00 -0.43 0.00 0.00 46.19 42.66 3gk0 s LEU 78 CO -0.03 -0.38 0.52 -1.61 -0.29 0.00 0.00 176.35 174.56 3gk0 s GLU 79 N 2.50 4.24 0.13 1.98 2.02 -0.36 -1.23 118.70 127.98 3gk0 s GLU 79 Ca 0.25 0.59 -0.22 0.00 0.02 0.00 0.00 54.97 55.61 3gk0 s GLU 79 Cb -0.15 -3.34 0.06 0.00 0.10 0.00 0.00 34.13 30.79 3gk0 s GLU 79 CO 0.09 0.38 0.56 0.00 0.02 0.00 0.00 175.26 176.30 3gk0 s ALA 81 N -3.53 1.81 -1.31 0.00 0.00 -1.26 -2.14 121.76 115.33 3gk0 s ALA 81 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 3gk0 s ALA 81 Cb -0.00 -3.17 0.15 0.00 0.00 0.00 0.00 23.12 20.10 3gk0 s ALA 81 CO -0.11 -2.12 2.02 0.28 0.00 0.00 0.00 175.76 175.83 3gk0 n VAL 82 N -3.72 4.46 -4.36 0.00 0.31 -1.26 -4.53 118.33 109.24 3gk0 n VAL 82 Ca 0.07 -4.26 -0.27 0.00 -0.01 0.00 0.00 64.34 59.87 3gk0 n VAL 82 Cb 0.55 -2.33 -0.13 0.00 -0.91 0.00 0.00 33.84 31.03 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 0.30 2.07 0.30 2.52 -4.23 -1.26 -5.03 115.64 110.31 3gk0 s THR 83 Ca 0.43 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.28 3gk0 s THR 83 Cb 0.12 -1.86 0.30 0.00 1.34 0.00 0.00 72.50 72.40 3gk0 s THR 83 CO -0.02 0.02 1.82 -0.65 -0.54 0.00 0.00 174.62 175.24 3gk0 h PRO 84 N 3.89 0.84 -0.01 3.99 0.11 -1.99 -2.02 132.00 136.80 3gk0 h PRO 84 Ca -0.49 -0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.32 3gk0 h PRO 84 Cb 1.18 -0.19 0.02 0.00 0.11 0.00 0.00 31.00 32.12 3gk0 h PRO 84 CO 0.40 0.56 -0.99 1.05 -0.21 0.00 0.00 178.00 178.81 3gk0 h GLU 85 N 0.86 0.69 -0.40 1.05 9.09 -1.96 -1.50 114.58 122.41 3gk0 h GLU 85 Ca 0.52 -0.73 -0.14 0.00 0.05 0.00 0.00 59.36 59.06 3gk0 h GLU 85 Cb 0.68 0.20 -0.01 0.00 -1.65 0.00 0.00 28.75 27.98 3gk0 h GLU 85 CO -0.30 1.31 -0.32 0.52 0.05 0.00 0.00 179.01 180.27 3gk0 h MET 86 N 0.37 0.90 -0.80 1.06 2.86 -1.86 -2.39 114.93 115.08 3gk0 h MET 86 Ca -0.12 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.10 3gk0 h MET 86 Cb 1.64 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.26 3gk0 h MET 86 CO 0.20 1.08 0.53 -0.07 1.06 0.00 0.00 176.91 179.71 3gk0 h LEU 87 N 0.75 0.92 -0.79 1.22 3.38 -1.34 -0.20 115.31 119.25 3gk0 h LEU 87 Ca 0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3gk0 h LEU 87 Cb 0.89 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3gk0 h LEU 87 CO 0.08 0.66 0.32 0.44 0.09 0.00 0.00 178.44 180.03 3gk0 h ASP 88 N 1.08 1.09 -0.16 -0.43 3.32 -0.99 -1.05 116.42 119.28 3gk0 h ASP 88 Ca 0.29 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3gk0 h ASP 88 Cb -0.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 3gk0 h ASP 88 CO -0.06 0.96 0.08 0.40 -1.72 0.00 0.00 179.24 178.90 3gk0 h ILE 89 N 1.15 1.11 -0.79 0.35 2.04 -0.89 -1.99 117.51 118.48 3gk0 h ILE 89 Ca 0.26 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3gk0 h ILE 89 Cb 0.21 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 3gk0 h ILE 89 CO -0.02 0.10 0.46 0.00 0.00 0.00 0.00 178.15 178.69 3gk0 h ALA 90 N 0.97 1.09 -0.12 1.87 0.00 -0.74 -0.46 119.26 121.87 3gk0 h ALA 90 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 90 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gk0 h ALA 90 CO -0.01 0.15 -0.38 0.00 0.00 0.00 0.00 179.25 179.02 3gk0 h GLU 92 N 0.22 0.17 -0.52 0.00 4.81 -0.72 -3.31 114.58 115.23 3gk0 h GLU 92 Ca 0.02 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3gk0 h GLU 92 Cb 0.77 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3gk0 h GLU 92 CO 0.06 0.87 0.12 0.82 -0.73 0.00 0.00 179.01 180.15 3gk0 h ILE 93 N -0.46 1.22 -5.51 2.32 2.04 -1.09 -3.48 117.51 112.56 3gk0 h ILE 93 Ca -0.02 -0.81 -0.27 0.00 1.00 0.00 0.00 64.86 64.76 3gk0 h ILE 93 Cb 0.93 0.69 0.19 0.00 -0.74 0.00 0.00 36.82 37.89 3gk0 h ILE 93 CO 0.04 0.30 -0.84 0.54 0.00 0.00 0.00 178.15 178.19 3gk0 n ARG 94 N -4.28 -3.39 -1.66 2.37 1.74 -0.08 -4.97 116.66 106.39 3gk0 n ARG 94 Ca 0.04 0.86 -0.33 0.00 -0.77 0.00 0.00 57.85 57.65 3gk0 n ARG 94 Cb 0.23 -5.83 0.06 0.00 -1.02 0.00 0.00 32.46 25.89 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 -4.66 2.63 0.26 5.56 0.04 -1.26 -4.91 135.00 132.66 3gk0 s PRO 95 Ca 0.34 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 3gk0 s PRO 95 Cb -0.04 -1.92 0.32 0.00 0.04 0.00 0.00 34.50 32.89 3gk0 s PRO 95 CO 0.74 -1.40 1.87 0.45 0.04 0.00 0.00 177.00 178.71 3gk0 h HIS 96 N -0.09 1.09 -3.47 0.56 3.86 -1.86 -3.42 115.15 111.82 3gk0 h HIS 96 Ca -0.47 -0.03 -0.44 0.00 -1.16 0.00 0.00 60.37 58.27 3gk0 h HIS 96 Cb 1.26 -0.35 -0.18 0.00 1.06 0.00 0.00 27.41 29.20 3gk0 h HIS 96 CO 0.53 0.77 -0.76 -0.51 0.86 0.00 0.00 177.93 178.82 3gk0 s ASP 97 N -6.35 2.19 -0.03 2.45 1.01 -0.40 -1.81 116.67 113.74 3gk0 s ASP 97 Ca -0.12 -0.84 -0.03 0.00 0.71 0.00 0.00 52.55 52.27 3gk0 s ASP 97 Cb 0.17 -0.09 0.01 0.00 1.01 0.00 0.00 42.92 44.01 3gk0 s ASP 97 CO 0.81 -0.12 0.08 0.00 0.21 0.00 0.00 175.17 176.15 3gk0 s ALA 98 N -2.19 -0.20 -0.20 5.23 0.00 -0.49 -1.81 121.76 122.10 3gk0 s ALA 98 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3gk0 s ALA 98 Cb -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.98 3gk0 s ALA 98 CO 0.04 -0.06 -0.15 0.00 0.00 0.00 0.00 175.76 175.59 3gk0 s LEU 100 N 1.30 4.23 0.12 0.00 1.43 0.35 -2.17 118.68 123.95 3gk0 s LEU 100 Ca 0.03 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.67 3gk0 s LEU 100 Cb -0.14 -3.51 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 3gk0 s LEU 100 CO -0.10 -0.45 -0.15 0.68 0.23 0.00 0.00 176.35 176.56 3gk0 s VAL 101 N 2.08 1.38 0.26 -1.59 -7.23 -0.91 -2.00 120.40 112.38 3gk0 s VAL 101 Ca 0.47 -1.71 -0.15 0.00 -1.81 0.00 0.00 61.98 58.77 3gk0 s VAL 101 Cb -0.18 -1.54 -0.08 0.00 0.56 0.00 0.00 36.38 35.14 3gk0 s VAL 101 CO 0.17 -0.39 0.68 -2.16 -0.31 0.00 0.00 175.10 173.08 3gk0 s PRO 102 N -2.62 4.03 0.09 4.82 0.04 -1.26 -4.01 135.00 136.09 3gk0 s PRO 102 Ca 0.09 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.76 3gk0 s PRO 102 Cb -0.05 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3gk0 s PRO 102 CO 0.03 0.29 0.00 0.39 0.04 0.00 0.00 177.00 177.75 3gk0 n GLU 103 N 0.13 0.00 -2.62 4.56 1.02 -1.26 -5.00 120.64 117.46 3gk0 n GLU 103 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3gk0 n GLU 103 Cb 0.52 -0.27 -0.05 0.00 -0.02 0.00 0.00 31.44 31.63 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 -2.00 4.28 0.43 3.49 1.02 -1.26 -4.97 119.74 120.73 3gk0 s LYS 104 Ca 0.00 1.44 0.10 0.00 0.02 0.00 0.00 55.97 57.53 3gk0 s LYS 104 Cb 0.00 -2.59 0.94 0.00 -0.52 0.00 0.00 37.83 35.66 3gk0 s LYS 104 CO 0.00 -0.02 2.03 -0.09 -0.92 0.00 0.00 175.35 176.35 3gk0 h ARG 105 N 2.64 0.31 0.00 1.68 9.65 -1.97 -0.69 114.38 126.00 3gk0 h ARG 105 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 3gk0 h ARG 105 Cb 1.21 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3gk0 h ARG 105 CO 0.63 0.28 0.00 -1.13 2.80 0.00 0.00 179.97 182.55 3gk0 n SER 106 N -4.43 0.33 -0.06 -3.80 3.41 -1.26 -2.85 113.62 104.96 3gk0 n SER 106 Ca 0.00 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 3gk0 n SER 106 Cb 0.13 -0.67 -0.02 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 -1.90 0.16 -4.49 4.33 1.02 -0.27 -4.99 120.64 114.51 3gk0 n GLU 107 Ca 0.01 -0.13 -0.24 0.00 -0.02 0.00 0.00 57.16 56.79 3gk0 n GLU 107 Cb 0.12 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.93 2.59 0.63 -4.62 0.05 -1.13 -1.67 118.68 111.60 3gk0 s LEU 108 Ca 0.10 -1.23 -0.03 0.00 0.05 0.00 0.00 54.13 53.03 3gk0 s LEU 108 Cb 0.17 -0.78 0.05 0.00 -2.05 0.00 0.00 46.19 43.57 3gk0 s LEU 108 CO 0.79 -0.32 0.89 0.42 -0.55 0.00 0.00 176.35 177.59 3gk0 s THR 109 N -2.85 2.51 0.57 5.48 -4.23 -0.90 -4.77 115.64 111.45 3gk0 s THR 109 Ca 0.32 -0.45 0.26 0.00 -1.18 0.00 0.00 61.69 60.63 3gk0 s THR 109 Cb 0.04 -3.02 0.34 0.00 1.34 0.00 0.00 72.50 71.21 3gk0 s THR 109 CO 0.15 -0.02 2.16 0.71 -0.54 0.00 0.00 174.62 177.08 3gk0 h THR 110 N -0.26 0.63 0.04 3.99 1.35 -1.96 -1.78 112.91 114.93 3gk0 h THR 110 Ca -0.43 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.18 3gk0 h THR 110 Cb 1.30 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 3gk0 h THR 110 CO 0.56 0.00 -1.23 -0.08 -0.25 0.00 0.00 175.52 174.52 3gk0 h GLU 111 N 0.00 0.09 0.00 4.72 4.81 -2.04 -3.49 114.58 118.67 3gk0 h GLU 111 Ca 0.05 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3gk0 h GLU 111 Cb 0.23 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3gk0 h GLU 111 CO -0.00 0.98 0.00 0.41 -0.73 0.00 0.00 179.01 179.67 3gk0 n GLY 112 N 1.46 1.11 3.83 1.92 0.00 -0.67 -4.97 105.19 107.86 3gk0 n GLY 112 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.24 1.60 0.25 -0.02 0.00 -1.26 -4.68 107.32 101.98 3gk0 s GLY 113 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 44.72 44.00 3gk0 s GLY 113 CO 0.00 0.06 1.47 1.04 0.00 0.00 0.00 173.10 175.67 3gk0 n LEU 114 N -3.47 3.44 -4.51 0.66 4.77 0.91 -2.12 117.00 116.67 3gk0 n LEU 114 Ca 0.07 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.75 3gk0 n LEU 114 Cb 0.58 -1.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.20 3gk0 n LEU 114 CO 0.57 -0.31 1.58 -0.62 -1.33 0.00 0.00 177.39 177.29 3gk0 s ASP 115 N 0.39 6.90 0.14 -1.43 3.68 -0.67 -4.66 116.67 121.01 3gk0 s ASP 115 Ca 0.68 -2.59 -0.11 0.00 2.13 0.00 0.00 52.55 52.65 3gk0 s ASP 115 Cb -0.61 -2.48 -0.04 0.00 -1.45 0.00 0.00 42.92 38.34 3gk0 s ASP 115 CO 0.48 -0.99 1.49 0.58 0.13 0.00 0.00 175.17 176.86 3gk0 h VAL 116 N 5.26 1.28 -0.59 1.11 2.07 -1.91 -2.31 116.25 121.16 3gk0 h VAL 116 Ca 0.34 -1.48 0.12 0.00 0.82 0.00 0.00 66.70 66.50 3gk0 h VAL 116 Cb 0.90 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.89 3gk0 h VAL 116 CO 1.33 0.50 -0.18 0.58 0.02 0.00 0.00 177.57 179.81 3gk0 h VAL 117 N 0.73 0.36 0.00 2.57 2.07 -1.88 -1.21 116.25 118.89 3gk0 h VAL 117 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 3gk0 h VAL 117 Cb 0.90 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3gk0 h VAL 117 CO 0.08 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.90 3gk0 h GLY 118 N -0.03 0.00 -2.91 2.17 0.00 -1.90 -3.28 103.07 97.12 3gk0 h GLY 118 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.41 3gk0 h GLY 118 CO -0.62 0.00 -0.83 1.42 0.00 0.00 0.00 176.54 176.50 3gk0 n HIS 119 N -2.62 0.75 -0.18 5.60 8.25 -0.90 -4.93 115.22 121.19 3gk0 n HIS 119 Ca 0.04 -1.45 -0.02 0.00 -0.26 0.00 0.00 57.72 56.03 3gk0 n HIS 119 Cb 0.42 -0.23 0.05 0.00 1.12 0.00 0.00 29.99 31.34 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 1.51 -0.32 -0.16 4.41 3.57 -1.29 -1.41 116.94 123.24 3gk0 h PHE 120 Ca -0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3gk0 h PHE 120 Cb 1.42 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 3gk0 h PHE 120 CO 0.56 -0.25 0.04 -0.44 -2.23 0.00 0.00 178.31 175.99 3gk0 h ASP 121 N -0.01 0.23 -0.12 0.41 3.32 -1.91 0.20 116.42 118.54 3gk0 h ASP 121 Ca 0.27 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.13 3gk0 h ASP 121 Cb 0.42 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3gk0 h ASP 121 CO -0.58 0.38 -0.03 0.00 -1.72 0.00 0.00 179.24 177.29 3gk0 h ALA 122 N 0.86 0.08 -0.79 3.45 0.00 -1.88 -1.34 119.26 119.64 3gk0 h ALA 122 Ca 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 122 Cb 0.24 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3gk0 h ALA 122 CO -0.00 -0.49 0.34 0.28 0.00 0.00 0.00 179.25 179.38 3gk0 h VAL 123 N -0.00 1.26 -0.70 0.00 2.07 -0.93 -1.79 116.25 116.14 3gk0 h VAL 123 Ca 0.06 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 3gk0 h VAL 123 Cb 0.09 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3gk0 h VAL 123 CO -0.12 0.32 0.22 -0.09 0.02 0.00 0.00 177.57 177.92 3gk0 h ARG 124 N 1.13 1.07 -0.60 1.57 2.43 -0.42 -1.49 114.38 118.07 3gk0 h ARG 124 Ca 0.26 -0.22 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 3gk0 h ARG 124 Cb 0.18 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3gk0 h ARG 124 CO -0.03 0.91 0.01 0.00 -1.51 0.00 0.00 179.97 179.35 3gk0 h ALA 125 N 1.20 0.81 -0.65 2.80 0.00 -0.88 -2.61 119.26 119.92 3gk0 h ALA 125 Ca 0.23 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3gk0 h ALA 125 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3gk0 h ALA 125 CO -0.01 0.64 0.18 0.00 0.00 0.00 0.00 179.25 180.06 3gk0 h ALA 126 N 0.99 0.85 -0.25 0.00 0.00 -1.12 -1.99 119.26 117.74 3gk0 h ALA 126 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 126 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gk0 h ALA 126 CO 0.03 0.55 0.17 0.00 0.00 0.00 0.00 179.25 180.00 3gk0 h LYS 128 N 0.31 0.36 -0.28 0.00 3.11 -1.02 -2.39 116.57 116.65 3gk0 h LYS 128 Ca 0.10 -0.35 -0.19 0.00 -2.81 0.00 0.00 60.65 57.40 3gk0 h LYS 128 Cb 0.02 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 3gk0 h LYS 128 CO -0.02 1.02 -0.56 -0.56 -2.81 0.00 0.00 179.45 176.52 3gk0 h GLN 129 N -0.17 0.88 0.10 1.90 3.07 -1.20 0.09 115.11 119.78 3gk0 h GLN 129 Ca -0.05 -0.57 -0.00 0.00 0.09 0.00 0.00 58.65 58.12 3gk0 h GLN 129 Cb 1.16 0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.79 3gk0 h GLN 129 CO 0.09 1.20 -0.05 -0.07 0.09 0.00 0.00 178.83 180.10 3gk0 h LEU 130 N 0.66 -0.11 -0.97 0.06 3.38 -1.43 -0.67 115.31 116.23 3gk0 h LEU 130 Ca 0.01 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3gk0 h LEU 130 Cb 1.18 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.88 3gk0 h LEU 130 CO 0.13 -0.07 0.61 0.00 0.09 0.00 0.00 178.44 179.19 3gk0 h ALA 131 N 0.76 1.41 0.00 1.53 0.00 -1.36 0.24 119.26 121.84 3gk0 h ALA 131 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3gk0 h ALA 131 Cb 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gk0 h ALA 131 CO 0.02 0.28 -0.11 -0.44 0.00 0.00 0.00 179.25 179.00 3gk0 h ASP 132 N 1.02 0.00 -0.28 0.00 3.32 -0.46 -0.54 116.42 119.48 3gk0 h ASP 132 Ca 0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 3gk0 h ASP 132 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3gk0 h ASP 132 CO -0.23 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.40 3gk0 n ALA 133 N -2.45 2.94 -1.04 3.45 0.00 0.73 -4.91 120.51 119.23 3gk0 n ALA 133 Ca -0.03 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 52.61 3gk0 n ALA 133 Cb 0.19 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 0.48 0.42 3.70 0.00 0.00 -0.21 -4.88 105.19 104.70 3gk0 n GLY 134 Ca 0.12 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.70 5.16 -0.26 1.61 1.01 -0.43 -4.92 120.40 120.88 3gk0 s VAL 135 Ca 0.00 0.97 -0.29 0.00 0.00 0.00 0.00 61.98 62.66 3gk0 s VAL 135 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3gk0 s VAL 135 CO 0.00 0.28 1.19 -0.60 0.00 0.00 0.00 175.10 175.97 3gk0 s ARG 136 N 0.92 4.09 -0.18 2.72 3.52 -0.75 -3.66 118.95 125.61 3gk0 s ARG 136 Ca 0.26 1.33 -0.09 0.00 -0.13 0.00 0.00 55.73 57.10 3gk0 s ARG 136 Cb -0.15 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 3gk0 s ARG 136 CO 0.10 -0.88 0.11 0.08 -0.81 0.00 0.00 175.30 173.91 3gk0 s VAL 137 N 3.77 5.24 0.04 7.11 1.01 -1.26 -1.40 120.40 134.91 3gk0 s VAL 137 Ca 0.51 0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.70 3gk0 s VAL 137 Cb -0.17 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3gk0 s VAL 137 CO 0.16 0.47 -0.22 -0.55 0.00 0.00 0.00 175.10 174.96 3gk0 s SER 138 N 0.16 3.48 -0.14 3.32 0.15 0.38 -2.71 113.70 118.34 3gk0 s SER 138 Ca 0.08 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.19 3gk0 s SER 138 Cb -0.11 -0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 63.72 3gk0 s SER 138 CO -0.01 0.26 -0.05 -0.76 1.20 0.00 0.00 173.24 173.88 3gk0 s LEU 139 N -1.32 3.20 -0.46 3.45 1.43 -0.89 -0.49 118.68 123.60 3gk0 s LEU 139 Ca 0.13 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 52.85 3gk0 s LEU 139 Cb -0.10 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3gk0 s LEU 139 CO 0.03 0.20 0.91 0.12 0.23 0.00 0.00 176.35 177.84 3gk0 s PHE 140 N 0.19 2.93 0.14 0.29 2.19 -0.85 -0.17 117.98 122.70 3gk0 s PHE 140 Ca -0.03 0.38 0.01 0.00 0.33 0.00 0.00 56.93 57.62 3gk0 s PHE 140 Cb -0.14 -3.93 -0.04 0.00 -1.31 0.00 0.00 43.02 37.60 3gk0 s PHE 140 CO 0.03 -1.08 0.00 0.96 1.83 0.00 0.00 175.22 176.96 3gk0 s ILE 141 N 3.70 0.53 0.64 3.12 -4.36 -0.50 -0.06 121.20 124.26 3gk0 s ILE 141 Ca 0.36 -1.95 -0.14 0.00 -0.26 0.00 0.00 60.65 58.66 3gk0 s ILE 141 Cb -0.10 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 3gk0 s ILE 141 CO 0.26 -0.57 1.07 -1.81 0.24 0.00 0.00 174.94 174.13 3gk0 s ASP 142 N -3.11 5.48 -1.16 4.36 1.01 -1.26 -0.86 116.67 121.12 3gk0 s ASP 142 Ca 0.21 1.83 -0.09 0.00 0.71 0.00 0.00 52.55 55.21 3gk0 s ASP 142 Cb 0.06 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.40 3gk0 s ASP 142 CO 0.01 -1.37 2.37 -0.81 0.21 0.00 0.00 175.17 175.58 3gk0 n PRO 143 N -2.38 2.59 -4.90 8.23 -0.04 -1.26 -4.70 135.00 132.55 3gk0 n PRO 143 Ca 0.09 -1.81 -0.30 0.00 -0.04 0.00 0.00 63.50 61.44 3gk0 n PRO 143 Cb 0.53 -2.67 -0.17 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.16 2.78 0.25 3.54 2.15 -1.26 -4.83 116.67 122.46 3gk0 s ASP 144 Ca 0.51 -0.51 -0.01 0.00 0.43 0.00 0.00 52.55 52.97 3gk0 s ASP 144 Cb 0.13 -1.27 0.32 0.00 -0.30 0.00 0.00 42.92 41.80 3gk0 s ASP 144 CO -0.03 0.10 1.72 -0.08 -0.17 0.00 0.00 175.17 176.71 3gk0 h GLU 145 N 6.98 0.70 -0.26 4.34 4.81 -1.99 -0.91 114.58 128.25 3gk0 h GLU 145 Ca -0.25 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 3gk0 h GLU 145 Cb 1.21 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3gk0 h GLU 145 CO 0.49 0.80 0.10 0.00 -0.73 0.00 0.00 179.01 179.67 3gk0 h ALA 146 N 1.23 0.34 -0.73 2.92 0.00 -1.97 0.06 119.26 121.11 3gk0 h ALA 146 Ca 0.11 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3gk0 h ALA 146 Cb 0.58 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3gk0 h ALA 146 CO 0.04 -0.06 0.45 1.96 0.00 0.00 0.00 179.25 181.64 3gk0 h GLN 147 N 0.27 0.84 -0.45 0.00 1.08 -1.83 0.14 115.11 115.16 3gk0 h GLN 147 Ca 0.09 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 3gk0 h GLN 147 Cb 0.19 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 3gk0 h GLN 147 CO -0.01 0.55 0.30 0.82 -0.95 0.00 0.00 178.83 179.54 3gk0 h ILE 148 N 0.86 1.12 -0.75 2.54 2.04 -0.89 0.20 117.51 122.63 3gk0 h ILE 148 Ca 0.30 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 3gk0 h ILE 148 Cb 0.06 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3gk0 h ILE 148 CO -0.13 0.11 0.34 0.03 0.00 0.00 0.00 178.15 178.51 3gk0 h ARG 149 N 0.61 1.10 -0.57 2.37 3.08 -0.62 -1.93 114.38 118.41 3gk0 h ARG 149 Ca 0.16 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 3gk0 h ARG 149 Cb -0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 3gk0 h ARG 149 CO -0.04 0.88 -0.04 0.00 -1.07 0.00 0.00 179.97 179.70 3gk0 h ALA 150 N 1.17 0.83 -0.60 0.04 0.00 -0.43 -1.58 119.26 118.70 3gk0 h ALA 150 Ca 0.26 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 150 Cb 0.16 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 3gk0 h ALA 150 CO -0.03 0.67 0.16 0.00 0.00 0.00 0.00 179.25 180.05 3gk0 h ALA 151 N 1.00 0.73 -0.53 0.00 0.00 -0.32 -1.70 119.26 118.43 3gk0 h ALA 151 Ca 0.16 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3gk0 h ALA 151 Cb 0.60 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3gk0 h ALA 151 CO 0.04 -0.28 0.10 1.25 0.00 0.00 0.00 179.25 180.36 3gk0 h HIS 152 N 0.30 0.92 -0.01 0.00 6.17 -0.63 -2.52 115.15 119.37 3gk0 h HIS 152 Ca 0.31 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 61.25 3gk0 h HIS 152 Cb 0.44 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 30.11 3gk0 h HIS 152 CO -0.22 0.81 -0.10 0.93 0.71 0.00 0.00 177.93 180.06 3gk0 h GLU 153 N 0.75 0.01 0.00 5.26 5.08 -0.84 -2.77 114.58 122.08 3gk0 h GLU 153 Ca 0.16 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3gk0 h GLU 153 Cb 0.38 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3gk0 h GLU 153 CO 0.01 0.11 -0.12 1.79 -1.00 0.00 0.00 179.01 179.80 3gk0 h THR 154 N 0.01 0.65 0.00 1.13 1.35 -0.86 -3.46 112.91 111.73 3gk0 h THR 154 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3gk0 h THR 154 Cb 0.18 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3gk0 h THR 154 CO 0.01 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3gk0 n GLY 155 N -0.79 0.55 3.72 5.82 0.00 -1.04 -4.66 105.19 108.78 3gk0 n GLY 155 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.57 -1.16 4.61 0.00 -1.24 -4.93 121.76 120.61 3gk0 s ALA 156 Ca 0.00 1.11 0.27 0.00 0.00 0.00 0.00 51.96 53.34 3gk0 s ALA 156 Cb 0.00 -3.52 0.85 0.00 0.00 0.00 0.00 23.12 20.45 3gk0 s ALA 156 CO 0.00 -0.59 1.65 -0.35 0.00 0.00 0.00 175.76 176.47 3gk0 n PRO 157 N 3.58 0.17 -4.30 0.00 -0.04 -1.22 -4.70 135.00 128.50 3gk0 n PRO 157 Ca 0.10 -0.07 -0.18 0.00 -0.04 0.00 0.00 63.50 63.30 3gk0 n PRO 157 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.25 3gk0 n PRO 157 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3gk0 s VAL 158 N -2.88 0.89 0.09 0.52 1.01 -1.10 -1.26 120.40 117.68 3gk0 s VAL 158 Ca 0.16 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3gk0 s VAL 158 Cb 0.18 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3gk0 s VAL 158 CO 0.60 -0.00 -0.20 0.27 0.00 0.00 0.00 175.10 175.77 3gk0 s ILE 159 N -0.75 1.61 -0.20 2.22 -4.36 -0.30 -2.09 121.20 117.33 3gk0 s ILE 159 Ca 0.00 -1.49 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 3gk0 s ILE 159 Cb -0.07 -1.47 0.03 0.00 1.25 0.00 0.00 42.46 42.20 3gk0 s ILE 159 CO 0.01 -0.08 -0.17 -0.70 0.24 0.00 0.00 174.94 174.24 3gk0 s GLU 160 N -1.85 2.73 0.18 0.37 2.12 0.76 -0.45 118.70 122.56 3gk0 s GLU 160 Ca 0.05 -0.95 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 3gk0 s GLU 160 Cb -0.10 -2.62 -0.08 0.00 0.26 0.00 0.00 34.13 31.59 3gk0 s GLU 160 CO 0.04 -0.31 0.94 -0.51 -0.54 0.00 0.00 175.26 174.87 3gk0 s LEU 161 N 1.26 4.59 -0.80 2.70 1.43 0.16 -1.41 118.68 126.60 3gk0 s LEU 161 Ca 0.01 1.87 -0.26 0.00 -1.03 0.00 0.00 54.13 54.72 3gk0 s LEU 161 Cb -0.15 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.51 3gk0 s LEU 161 CO -0.11 0.07 1.45 -2.28 0.23 0.00 0.00 176.35 175.72 3gk0 s HIS 162 N -0.71 2.21 -2.01 0.29 5.65 -0.04 -4.22 115.29 116.45 3gk0 s HIS 162 Ca 0.43 -0.06 0.22 0.00 0.25 0.00 0.00 55.06 55.90 3gk0 s HIS 162 Cb -0.25 -4.52 1.31 0.00 -1.18 0.00 0.00 32.58 27.94 3gk0 s HIS 162 CO 0.31 -2.06 1.85 0.25 -0.65 0.00 0.00 174.74 174.43 3gk0 n THR 163 N 6.73 0.01 -0.34 0.89 -2.24 -1.26 -4.35 114.28 113.72 3gk0 n THR 163 Ca 0.15 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.04 3gk0 n THR 163 Cb 0.50 -0.32 0.30 0.00 -2.10 0.00 0.00 70.33 68.71 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 5.29 1.68 1.18 3.38 0.00 -1.87 -0.18 103.07 112.55 3gk0 h GLY 164 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 47.33 46.80 3gk0 h GLY 164 CO 0.00 -0.08 -0.70 3.21 0.00 0.00 0.00 176.54 178.97 3gk0 h ARG 165 N 0.70 0.82 -0.31 4.80 3.08 -1.91 0.05 114.38 121.62 3gk0 h ARG 165 Ca 0.55 -0.62 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3gk0 h ARG 165 Cb 0.86 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 3gk0 h ARG 165 CO -0.39 1.24 0.01 -0.92 -1.07 0.00 0.00 179.97 178.84 3gk0 h TYR 166 N 0.59 0.01 -0.41 3.04 5.03 -1.74 -2.18 116.97 121.31 3gk0 h TYR 166 Ca -0.03 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 3gk0 h TYR 166 Cb 1.32 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.63 3gk0 h TYR 166 CO 0.08 -0.04 0.19 0.00 -1.32 0.00 0.00 178.16 177.08 3gk0 h ALA 167 N 1.26 0.53 -0.20 1.82 0.00 -0.86 -3.00 119.26 118.81 3gk0 h ALA 167 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 167 Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gk0 h ALA 167 CO -0.23 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 3gk0 n ASP 168 N -4.68 1.13 -4.70 0.00 8.00 -0.01 -4.97 116.55 111.32 3gk0 n ASP 168 Ca 0.00 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.14 3gk0 n ASP 168 Cb 0.11 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.09 1.34 0.06 2.24 0.00 -0.83 -4.91 120.51 118.51 3gk0 n ALA 169 Ca 0.09 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.82 3gk0 n ALA 169 Cb 0.19 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.25 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 2.95 0.05 -4.46 0.00 3.86 -1.93 -3.46 115.15 112.16 3gk0 h HIS 170 Ca -0.46 -0.04 -0.29 0.00 -1.16 0.00 0.00 60.37 58.42 3gk0 h HIS 170 Cb 1.28 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.63 3gk0 h HIS 170 CO 0.52 1.03 -0.42 0.16 0.86 0.00 0.00 177.93 180.08 3gk0 s ASP 171 N -6.75 0.74 0.37 2.45 -4.77 -1.26 -5.06 116.67 102.39 3gk0 s ASP 171 Ca 0.00 -1.46 0.17 0.00 -3.30 0.00 0.00 52.55 47.97 3gk0 s ASP 171 Cb 0.10 0.52 0.71 0.00 -1.09 0.00 0.00 42.92 43.16 3gk0 s ASP 171 CO 0.83 -1.05 1.76 0.00 0.70 0.00 0.00 175.17 177.41 3gk0 h ALA 172 N 2.32 1.08 -0.42 2.11 0.00 -1.98 -0.83 119.26 121.52 3gk0 h ALA 172 Ca -0.30 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 3gk0 h ALA 172 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3gk0 h ALA 172 CO 0.43 0.49 -0.20 0.00 0.00 0.00 0.00 179.25 179.96 3gk0 h ALA 173 N 1.61 0.60 -0.12 0.00 0.00 -1.99 -1.62 119.26 117.73 3gk0 h ALA 173 Ca -0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3gk0 h ALA 173 Cb 0.84 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gk0 h ALA 173 CO 0.05 0.56 -0.02 1.49 0.00 0.00 0.00 179.25 181.34 3gk0 h GLU 174 N 0.71 0.23 -0.91 0.00 4.81 -1.90 -2.56 114.58 114.96 3gk0 h GLU 174 Ca 0.09 -0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.36 3gk0 h GLU 174 Cb 0.77 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.06 3gk0 h GLU 174 CO 0.06 0.50 0.59 0.37 -0.73 0.00 0.00 179.01 179.80 3gk0 h GLN 175 N -0.06 0.81 -0.42 1.92 4.15 -1.12 0.63 115.11 121.02 3gk0 h GLN 175 Ca 0.03 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 3gk0 h GLN 175 Cb 0.41 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3gk0 h GLN 175 CO 0.01 0.54 -0.24 0.37 -1.93 0.00 0.00 178.83 177.58 3gk0 h GLN 176 N 0.84 0.90 -0.04 1.69 4.15 -1.25 0.37 115.11 121.77 3gk0 h GLN 176 Ca 0.44 -0.41 0.03 0.00 0.77 0.00 0.00 58.65 59.48 3gk0 h GLN 176 Cb 0.53 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 3gk0 h GLN 176 CO -0.21 1.06 -0.12 -0.09 -1.93 0.00 0.00 178.83 177.54 3gk0 h ARG 177 N 0.73 -0.18 -0.20 1.69 2.43 -0.86 0.75 114.38 118.74 3gk0 h ARG 177 Ca 0.09 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 3gk0 h ARG 177 Cb 0.81 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3gk0 h ARG 177 CO 0.07 -0.12 -0.18 0.93 -1.51 0.00 0.00 179.97 179.16 3gk0 h GLU 178 N -0.19 0.34 -0.61 0.20 4.39 -0.83 -2.35 114.58 115.53 3gk0 h GLU 178 Ca 0.06 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 3gk0 h GLU 178 Cb 0.27 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3gk0 h GLU 178 CO -0.15 0.51 0.31 0.35 -1.16 0.00 0.00 179.01 178.87 3gk0 h PHE 179 N 0.31 0.85 -0.37 4.33 3.57 0.22 -2.79 116.94 123.06 3gk0 h PHE 179 Ca 0.06 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.47 3gk0 h PHE 179 Cb 0.50 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3gk0 h PHE 179 CO 0.01 0.63 -0.01 0.93 -2.23 0.00 0.00 178.31 177.65 3gk0 h GLU 180 N 0.82 0.59 -0.65 1.11 5.08 -0.43 -0.96 114.58 120.14 3gk0 h GLU 180 Ca 0.21 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3gk0 h GLU 180 Cb 0.08 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3gk0 h GLU 180 CO -0.03 0.62 0.42 0.00 -1.00 0.00 0.00 179.01 179.02 3gk0 h ARG 181 N 0.56 0.82 -0.10 2.33 3.08 -1.24 -1.43 114.38 118.40 3gk0 h ARG 181 Ca 0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3gk0 h ARG 181 Cb 0.37 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3gk0 h ARG 181 CO 0.01 0.54 0.04 0.82 -1.07 0.00 0.00 179.97 180.31 3gk0 h ILE 182 N 0.84 1.16 -0.67 2.04 2.04 -1.17 -0.57 117.51 121.18 3gk0 h ILE 182 Ca 0.25 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.70 3gk0 h ILE 182 Cb -0.05 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3gk0 h ILE 182 CO -0.07 0.14 0.37 0.00 0.00 0.00 0.00 178.15 178.58 3gk0 h ALA 183 N 0.87 0.89 0.00 1.87 0.00 -0.90 0.21 119.26 122.20 3gk0 h ALA 183 Ca 0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3gk0 h ALA 183 Cb 0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3gk0 h ALA 183 CO -0.00 0.04 -0.50 1.79 0.00 0.00 0.00 179.25 180.57 3gk0 h THR 184 N 0.67 0.93 -0.66 0.00 1.35 -1.24 -1.84 112.91 112.12 3gk0 h THR 184 Ca 0.30 -2.11 -0.07 0.00 -0.55 0.00 0.00 66.41 63.98 3gk0 h THR 184 Cb 0.20 2.32 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 3gk0 h THR 184 CO -0.19 0.49 0.15 1.23 -0.25 0.00 0.00 175.52 176.95 3gk0 h GLY 185 N 3.06 1.16 0.96 5.82 0.00 -0.19 -0.37 103.07 113.50 3gk0 h GLY 185 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 3gk0 h GLY 185 CO 0.07 0.69 0.11 -2.08 0.00 0.00 0.00 176.54 175.32 3gk0 h VAL 186 N 1.00 1.23 -0.27 4.60 2.07 -0.28 -1.04 116.25 123.56 3gk0 h VAL 186 Ca 0.21 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.92 3gk0 h VAL 186 Cb 0.38 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3gk0 h VAL 186 CO 0.00 0.29 0.16 0.44 0.02 0.00 0.00 177.57 178.49 3gk0 h ASP 187 N 0.59 0.27 -0.24 0.57 3.32 -1.17 0.18 116.42 119.94 3gk0 h ASP 187 Ca 0.14 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3gk0 h ASP 187 Cb 0.32 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3gk0 h ASP 187 CO 0.00 0.20 0.13 0.00 -1.72 0.00 0.00 179.24 177.86 3gk0 h ALA 188 N 1.11 0.31 -0.15 3.45 0.00 -0.92 -0.14 119.26 122.92 3gk0 h ALA 188 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gk0 h ALA 188 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gk0 h ALA 188 CO -0.04 -0.16 0.08 0.78 0.00 0.00 0.00 179.25 179.91 3gk0 h GLY 189 N 0.28 0.20 0.78 0.00 0.00 -1.04 -2.73 103.07 100.56 3gk0 h GLY 189 Ca 0.09 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.43 3gk0 h GLY 189 CO -0.01 0.05 0.62 -2.22 0.00 0.00 0.00 176.54 174.97 3gk0 h ILE 190 N 0.17 1.06 0.00 2.60 5.03 -0.73 -1.96 117.51 123.67 3gk0 h ILE 190 Ca 0.06 -0.37 -0.02 0.00 -0.12 0.00 0.00 64.86 64.41 3gk0 h ILE 190 Cb 0.01 -0.11 -0.00 0.00 -3.03 0.00 0.00 36.82 33.68 3gk0 h ILE 190 CO -0.04 0.20 -0.10 0.00 -0.68 0.00 0.00 178.15 177.53 3gk0 h ALA 191 N 1.49 1.07 -0.49 1.87 0.00 -0.72 -2.04 119.26 120.44 3gk0 h ALA 191 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3gk0 h ALA 191 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gk0 h ALA 191 CO -0.17 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3gk0 n LEU 192 N -3.31 3.20 0.00 0.00 4.77 -0.89 -4.93 117.00 115.84 3gk0 n LEU 192 Ca -0.00 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 3gk0 n LEU 192 Cb 0.30 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3gk0 n LEU 192 CO 0.29 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3gk0 n GLY 193 N 1.10 0.49 3.80 -0.72 0.00 -0.77 -5.03 105.19 104.07 3gk0 n GLY 193 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 3.82 0.04 0.99 1.43 -0.79 -5.01 118.68 119.16 3gk0 s LEU 194 Ca 0.00 1.90 -0.20 0.00 -1.03 0.00 0.00 54.13 54.80 3gk0 s LEU 194 Cb 0.00 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 3gk0 s LEU 194 CO 0.00 -0.79 0.60 -0.75 0.23 0.00 0.00 176.35 175.64 3gk0 s LYS 195 N -3.32 4.29 -0.05 1.70 2.20 -0.39 -4.17 119.74 120.00 3gk0 s LYS 195 Ca 0.67 0.77 0.05 0.00 -0.36 0.00 0.00 55.97 57.09 3gk0 s LYS 195 Cb -0.16 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3gk0 s LYS 195 CO 0.21 0.49 -0.21 0.54 -0.36 0.00 0.00 175.35 176.02 3gk0 s VAL 196 N -0.61 1.69 0.45 4.02 0.11 -1.26 -1.16 120.40 123.66 3gk0 s VAL 196 Ca 0.31 -0.87 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 3gk0 s VAL 196 Cb -0.19 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.18 3gk0 s VAL 196 CO 0.19 0.48 0.02 0.20 -3.33 0.00 0.00 175.10 172.66 3gk0 s ASN 197 N -0.10 3.79 0.00 3.54 0.01 0.40 -0.93 114.94 121.65 3gk0 s ASN 197 Ca -0.02 -1.55 0.00 0.00 -0.71 0.00 0.00 52.86 50.58 3gk0 s ASN 197 Cb -0.12 0.18 0.00 0.00 0.41 0.00 0.00 41.25 41.72 3gk0 s ASN 197 CO 0.02 -0.71 0.00 0.00 -1.51 0.00 0.00 177.10 174.90 3gk0 n ALA 198 N -1.09 0.00 0.00 0.60 0.00 -0.92 -0.67 120.51 118.43 3gk0 n ALA 198 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3gk0 n ALA 198 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 0.81 3.69 0.00 0.00 -1.26 -0.51 105.19 107.92 3gk0 n GLY 199 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gk0 n GLY 199 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gk0 s HIS 200 N 0.00 2.52 0.00 1.61 2.46 -1.26 -2.35 115.29 118.27 3gk0 s HIS 200 Ca 0.00 0.42 0.00 0.00 0.47 0.00 0.00 55.06 55.95 3gk0 s HIS 200 Cb 0.00 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 3gk0 s HIS 200 CO 0.00 -3.60 0.00 0.41 -2.47 0.00 0.00 174.74 169.08 3gk0 n GLY 201 N 3.92 0.75 3.74 1.59 0.00 -1.26 -3.06 105.19 110.87 3gk0 n GLY 201 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.55 0.00 0.99 1.43 -0.99 -4.77 118.68 119.88 3gk0 s LEU 202 Ca 0.00 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 3gk0 s LEU 202 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 3gk0 s LEU 202 CO 0.00 -0.06 0.00 0.00 0.23 0.00 0.00 176.35 176.52 3gk0 n HIS 203 N 2.08 0.00 0.95 0.29 1.44 -1.26 -4.50 115.22 114.22 3gk0 n HIS 203 Ca 0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.84 3gk0 n HIS 203 Cb 0.47 0.00 0.56 0.00 0.12 0.00 0.00 29.99 31.14 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 0.19 -1.40 4.02 -1.26 -2.12 117.16 116.59 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 -0.45 -0.01 0.00 -0.02 0.00 0.00 39.34 38.86 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 -1.45 0.00 0.13 -0.72 -2.24 -1.26 -4.74 114.28 104.00 3gk0 n THR 205 Ca 0.08 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.43 3gk0 n THR 205 Cb 0.27 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.56 0.58 0.17 3.42 0.23 -1.18 -4.70 115.26 113.22 3gk0 n ASN 206 Ca 0.02 -0.79 0.03 0.00 -0.53 0.00 0.00 54.58 53.30 3gk0 n ASN 206 Cb 0.08 0.61 0.28 0.00 -2.08 0.00 0.00 39.78 38.67 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 0.25 1.14 -0.17 3.53 3.04 -1.72 -3.34 116.25 118.98 3gk0 h VAL 207 Ca 0.00 -1.71 -0.01 0.00 -1.01 0.00 0.00 66.70 63.97 3gk0 h VAL 207 Cb 0.09 1.98 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 3gk0 h VAL 207 CO 0.00 0.46 0.06 1.56 -1.01 0.00 0.00 177.57 178.64 3gk0 h GLN 208 N 0.00 0.25 -0.43 4.17 7.50 -1.85 0.10 115.11 124.86 3gk0 h GLN 208 Ca -0.00 -0.05 0.03 0.00 0.50 0.00 0.00 58.65 59.13 3gk0 h GLN 208 Cb 0.94 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.41 3gk0 h GLN 208 CO 0.06 0.34 0.28 0.00 -1.50 0.00 0.00 178.83 178.02 3gk0 h ALA 209 N 0.90 1.82 0.11 3.87 0.00 -1.92 -0.15 119.26 123.89 3gk0 h ALA 209 Ca 0.06 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3gk0 h ALA 209 Cb 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.87 3gk0 h ALA 209 CO -0.00 0.13 -0.90 0.82 0.00 0.00 0.00 179.25 179.29 3gk0 h ILE 210 N 0.46 1.42 0.00 0.00 1.08 -1.60 -3.23 117.51 115.65 3gk0 h ILE 210 Ca 0.17 -2.41 -0.03 0.00 -0.39 0.00 0.00 64.86 62.20 3gk0 h ILE 210 Cb 0.11 2.93 -0.00 0.00 -3.07 0.00 0.00 36.82 36.79 3gk0 h ILE 210 CO -0.04 0.70 -0.15 0.00 -0.69 0.00 0.00 178.15 177.97 3gk0 h ALA 211 N 0.19 1.32 0.00 1.87 0.00 -0.43 -2.11 119.26 120.10 3gk0 h ALA 211 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gk0 h ALA 211 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3gk0 h ALA 211 CO 0.17 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.61 3gk0 h ALA 212 N 1.85 1.00 -2.06 0.00 0.00 -1.05 -3.35 119.26 115.66 3gk0 h ALA 212 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 3gk0 h ALA 212 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3gk0 h ALA 212 CO 0.02 0.00 1.11 -0.51 0.00 0.00 0.00 179.25 179.87 3gk0 s LEU 213 N -5.17 3.94 0.57 0.00 1.43 -0.80 -4.83 118.68 113.82 3gk0 s LEU 213 Ca 0.03 1.67 0.34 0.00 -1.03 0.00 0.00 54.13 55.14 3gk0 s LEU 213 Cb 0.09 -3.53 1.66 0.00 0.03 0.00 0.00 46.19 44.43 3gk0 s LEU 213 CO 0.46 -1.20 2.11 -0.65 0.23 0.00 0.00 176.35 177.30 3gk0 h PRO 214 N 10.49 0.00 0.00 1.29 0.11 -1.88 -2.98 132.00 139.04 3gk0 h PRO 214 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3gk0 h PRO 214 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gk0 h PRO 214 CO 1.00 0.05 0.00 0.78 -0.21 0.00 0.00 178.00 179.62 3gk0 h GLY 215 N 1.09 0.00 -4.77 -0.55 0.00 -1.95 -3.44 103.07 93.45 3gk0 h GLY 215 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3gk0 h GLY 215 CO 0.01 0.00 0.66 -0.42 0.00 0.00 0.00 176.54 176.78 3gk0 s ILE 216 N -3.15 4.44 -0.13 2.60 1.01 -1.13 -4.42 121.20 120.43 3gk0 s ILE 216 Ca 0.09 1.75 -0.17 0.00 0.00 0.00 0.00 60.65 62.32 3gk0 s ILE 216 Cb 0.11 -4.12 -0.15 0.00 0.01 0.00 0.00 42.46 38.31 3gk0 s ILE 216 CO 0.58 -0.00 0.37 0.00 0.00 0.00 0.00 174.94 175.89 3gk0 h ALA 217 N 7.34 0.03 -3.69 9.38 0.00 -1.34 -3.47 119.26 127.50 3gk0 h ALA 217 Ca -0.33 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 53.91 3gk0 h ALA 217 Cb 1.15 0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.77 3gk0 h ALA 217 CO 0.87 0.12 -0.73 -2.00 0.00 0.00 0.00 179.25 177.52 3gk0 s GLU 218 N -2.01 0.06 -0.23 0.00 2.12 -1.26 -2.07 118.70 115.31 3gk0 s GLU 218 Ca -0.13 0.02 -0.06 0.00 0.36 0.00 0.00 54.97 55.16 3gk0 s GLU 218 Cb -0.01 -0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.24 3gk0 s GLU 218 CO 0.41 -0.03 0.02 -0.51 -0.54 0.00 0.00 175.26 174.61 3gk0 s LEU 219 N 0.26 3.25 -0.47 2.70 1.43 -0.30 -2.17 118.68 123.38 3gk0 s LEU 219 Ca -0.02 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.68 3gk0 s LEU 219 Cb -0.04 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.42 3gk0 s LEU 219 CO -0.01 -0.00 0.39 0.20 0.23 0.00 0.00 176.35 177.16 3gk0 s ASN 220 N 1.40 6.07 -0.08 2.29 0.01 0.33 -0.15 114.94 124.81 3gk0 s ASN 220 Ca 0.05 -1.42 0.04 0.00 -0.71 0.00 0.00 52.86 50.83 3gk0 s ASN 220 Cb -0.15 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.35 3gk0 s ASN 220 CO 0.01 -0.66 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.09 3gk0 s ILE 221 N 1.60 2.18 0.00 0.60 1.01 0.12 -4.13 121.20 122.59 3gk0 s ILE 221 Ca 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3gk0 s ILE 221 Cb -0.25 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3gk0 s ILE 221 CO 0.05 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3gk0 n GLY 222 N 3.24 0.38 0.23 6.18 0.00 -1.26 -0.79 105.19 113.17 3gk0 n GLY 222 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.30 -0.95 1.61 -0.00 -1.91 -1.55 115.15 112.65 3gk0 h HIS 223 Ca 0.00 0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.54 3gk0 h HIS 223 Cb 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 27.28 3gk0 h HIS 223 CO 0.00 0.03 0.56 0.00 -0.00 0.00 0.00 177.93 178.52 3gk0 h ALA 224 N 1.45 1.46 -0.30 5.26 0.00 -1.92 0.21 119.26 125.41 3gk0 h ALA 224 Ca 0.31 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.11 3gk0 h ALA 224 Cb 0.43 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gk0 h ALA 224 CO -0.36 0.06 -0.45 0.82 0.00 0.00 0.00 179.25 179.32 3gk0 h ILE 225 N 0.82 1.28 -0.18 0.00 2.04 -1.61 -0.29 117.51 119.57 3gk0 h ILE 225 Ca 0.50 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 3gk0 h ILE 225 Cb 0.62 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3gk0 h ILE 225 CO -0.32 0.53 -0.04 0.58 0.00 0.00 0.00 178.15 178.91 3gk0 h VAL 226 N 0.61 1.28 -0.91 1.67 2.07 -1.17 0.08 116.25 119.89 3gk0 h VAL 226 Ca 0.03 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.64 3gk0 h VAL 226 Cb 1.06 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 32.32 3gk0 h VAL 226 CO 0.10 0.30 0.56 0.00 0.02 0.00 0.00 177.57 178.55 3gk0 h ALA 227 N 0.74 1.29 -0.08 1.67 0.00 -0.52 -2.15 119.26 120.21 3gk0 h ALA 227 Ca 0.05 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.75 3gk0 h ALA 227 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gk0 h ALA 227 CO 0.02 0.25 -0.82 1.25 0.00 0.00 0.00 179.25 179.94 3gk0 h HIS 228 N 0.97 0.78 -0.87 0.00 6.17 -0.86 -3.24 115.15 118.09 3gk0 h HIS 228 Ca 0.42 -0.37 0.01 0.00 0.71 0.00 0.00 60.37 61.14 3gk0 h HIS 228 Cb 0.29 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.07 3gk0 h HIS 228 CO -0.03 1.17 0.58 0.00 0.71 0.00 0.00 177.93 180.36 3gk0 h ALA 229 N 0.72 1.11 -0.90 5.26 0.00 -0.54 -1.97 119.26 122.94 3gk0 h ALA 229 Ca -0.06 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.03 3gk0 h ALA 229 Cb 1.44 -0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.74 3gk0 h ALA 229 CO 0.15 0.51 0.34 0.28 0.00 0.00 0.00 179.25 180.54 3gk0 h VAL 230 N 1.18 0.39 0.01 0.00 2.07 -1.43 0.57 116.25 119.05 3gk0 h VAL 230 Ca 0.32 -0.11 -0.27 0.00 0.82 0.00 0.00 66.70 67.47 3gk0 h VAL 230 Cb -0.14 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.65 3gk0 h VAL 230 CO -0.07 0.06 -1.46 -0.26 0.02 0.00 0.00 177.57 175.86 3gk0 h PHE 231 N 0.31 0.04 0.00 1.57 0.04 -1.58 -3.41 116.94 113.91 3gk0 h PHE 231 Ca 0.57 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.31 3gk0 h PHE 231 Cb 1.15 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 3gk0 h PHE 231 CO -0.18 1.04 -0.45 0.28 -0.60 0.00 0.00 178.31 178.41 3gk0 n VAL 232 N -3.19 0.00 0.00 -0.55 0.31 -0.69 -5.12 118.33 109.10 3gk0 n VAL 232 Ca -0.11 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 3gk0 n VAL 232 Cb 1.01 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 34.73 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 1.62 0.24 0.35 2.92 0.00 0.19 -4.57 105.19 105.95 3gk0 n GLY 233 Ca 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.85 -0.49 1.61 2.91 -1.93 -0.96 115.95 116.24 3gk0 h TRP 234 Ca 0.00 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.12 3gk0 h TRP 234 Cb 0.00 0.32 -0.09 0.00 -0.51 0.00 0.00 29.16 28.88 3gk0 h TRP 234 CO 0.00 -0.46 -0.09 0.22 -1.03 0.00 0.00 178.44 177.08 3gk0 h ASP 235 N -0.70 -0.40 -0.69 2.65 1.82 -1.91 -1.49 116.42 115.70 3gk0 h ASP 235 Ca -0.03 0.14 -0.06 0.00 -0.39 0.00 0.00 57.03 56.70 3gk0 h ASP 235 Cb 0.62 0.28 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 3gk0 h ASP 235 CO -0.03 -0.14 0.21 0.78 -1.61 0.00 0.00 179.24 178.45 3gk0 h ASN 236 N 0.02 1.01 -0.45 2.28 2.35 -1.74 -1.93 115.58 117.12 3gk0 h ASN 236 Ca 0.24 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 3gk0 h ASN 236 Cb 0.36 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3gk0 h ASN 236 CO -0.48 0.95 -0.09 0.00 -1.65 0.00 0.00 177.43 176.16 3gk0 h ALA 237 N 1.10 0.89 0.21 -0.83 0.00 -0.51 -0.82 119.26 119.30 3gk0 h ALA 237 Ca 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gk0 h ALA 237 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gk0 h ALA 237 CO -0.01 0.64 -0.10 0.28 0.00 0.00 0.00 179.25 180.06 3gk0 h VAL 238 N 0.82 0.83 -1.01 0.00 2.07 -1.22 -2.30 116.25 115.45 3gk0 h VAL 238 Ca 0.14 -0.87 0.11 0.00 0.82 0.00 0.00 66.70 66.89 3gk0 h VAL 238 Cb 0.61 1.30 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3gk0 h VAL 238 CO 0.04 0.18 0.64 -0.09 0.02 0.00 0.00 177.57 178.35 3gk0 h ARG 239 N -0.76 1.01 -0.24 1.57 2.43 -1.29 -1.43 114.38 115.66 3gk0 h ARG 239 Ca -0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3gk0 h ARG 239 Cb 0.51 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3gk0 h ARG 239 CO 0.05 0.67 -0.02 1.49 -1.51 0.00 0.00 179.97 180.65 3gk0 h GLU 240 N 1.04 0.44 -0.76 0.20 4.81 -1.16 -0.29 114.58 118.85 3gk0 h GLU 240 Ca 0.48 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 3gk0 h GLU 240 Cb 0.42 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3gk0 h GLU 240 CO -0.25 0.63 0.40 1.98 -0.73 0.00 0.00 179.01 181.05 3gk0 h MET 241 N 0.20 1.07 -0.46 1.92 4.05 -0.88 -1.38 114.93 119.45 3gk0 h MET 241 Ca 0.07 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 3gk0 h MET 241 Cb 0.44 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3gk0 h MET 241 CO 0.02 0.81 0.07 -0.22 0.23 0.00 0.00 176.91 177.82 3gk0 h LYS 242 N 1.06 0.76 -0.66 0.39 1.63 -1.18 -1.95 116.57 116.64 3gk0 h LYS 242 Ca 0.27 -0.21 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3gk0 h LYS 242 Cb 0.06 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3gk0 h LYS 242 CO -0.04 0.78 0.32 0.00 -3.45 0.00 0.00 179.45 177.06 3gk0 h ALA 243 N 0.95 0.85 -0.71 5.00 0.00 -0.70 -0.80 119.26 123.84 3gk0 h ALA 243 Ca 0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gk0 h ALA 243 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 243 CO 0.01 0.41 0.22 0.82 0.00 0.00 0.00 179.25 180.70 3gk0 h ILE 244 N 0.91 1.26 -0.32 0.00 2.04 -1.20 -0.95 117.51 119.24 3gk0 h ILE 244 Ca 0.23 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 3gk0 h ILE 244 Cb 0.12 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 3gk0 h ILE 244 CO -0.03 0.35 0.07 0.24 0.00 0.00 0.00 178.15 178.78 3gk0 h MET 245 N 1.06 0.51 -0.49 2.37 2.86 -0.93 -2.21 114.93 118.10 3gk0 h MET 245 Ca 0.23 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3gk0 h MET 245 Cb 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3gk0 h MET 245 CO -0.01 0.59 0.19 0.28 1.06 0.00 0.00 176.91 179.02 3gk0 h VAL 246 N 0.35 1.21 -0.55 -2.22 2.07 -1.06 -2.00 116.25 114.05 3gk0 h VAL 246 Ca 0.10 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3gk0 h VAL 246 Cb 0.31 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3gk0 h VAL 246 CO 0.00 0.25 0.35 0.00 0.02 0.00 0.00 177.57 178.20 3gk0 h ALA 247 N 1.04 0.70 -0.36 1.67 0.00 -1.05 -0.84 119.26 120.41 3gk0 h ALA 247 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 247 Cb 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3gk0 h ALA 247 CO -0.01 0.10 -0.14 0.00 0.00 0.00 0.00 179.25 179.19 3gk0 h ALA 248 N 1.22 0.51 -0.07 0.00 0.00 -1.37 -2.23 119.26 117.32 3gk0 h ALA 248 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3gk0 h ALA 248 Cb -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gk0 h ALA 248 CO -0.07 0.41 0.02 -0.09 0.00 0.00 0.00 179.25 179.52 3gk0 h ARG 249 N 0.53 0.11 -0.15 0.00 9.65 -1.10 -1.80 114.38 121.62 3gk0 h ARG 249 Ca 0.09 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.89 3gk0 h ARG 249 Cb 0.68 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3gk0 h ARG 249 CO 0.05 0.31 -0.08 0.28 2.80 0.00 0.00 179.97 183.33 3gk0 h VAL 250 N -0.11 1.31 -0.67 0.20 2.07 -1.21 -2.43 116.25 115.42 3gk0 h VAL 250 Ca 0.02 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 3gk0 h VAL 250 Cb 0.25 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3gk0 h VAL 250 CO 0.00 0.33 0.37 0.00 0.02 0.00 0.00 177.57 178.29 3gk0 h ALA 251 N 0.67 0.86 -0.29 1.67 0.00 -1.45 -2.30 119.26 118.42 3gk0 h ALA 251 Ca 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3gk0 h ALA 251 Cb 0.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3gk0 h ALA 251 CO 0.02 0.38 0.06 0.00 0.00 0.00 0.00 179.25 179.72 3gk0 h ALA 252 N 1.18 1.57 -0.14 0.00 0.00 -1.26 -3.05 119.26 117.56 3gk0 h ALA 252 Ca 0.24 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 252 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gk0 h ALA 252 CO -0.04 0.32 -0.35 -0.07 0.00 0.00 0.00 179.25 179.12 3gk0 h LEU 253 N 0.42 0.54 -1.85 0.00 3.38 -0.99 -3.51 115.31 113.31 3gk0 h LEU 253 Ca 0.10 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3gk0 h LEU 253 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gk0 h LEU 253 CO -0.00 1.03 0.00 1.41 0.09 0.00 0.00 178.44 180.97