#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk0 s ILE 11 N 0.00 5.25 -0.05 0.00 2.07 -1.26 -4.91 121.20 122.30 3gk0 s ILE 11 Ca 0.00 0.64 -0.03 0.00 -1.41 0.00 0.00 60.65 59.85 3gk0 s ILE 11 Cb 0.00 -3.65 -0.04 0.00 0.13 0.00 0.00 42.46 38.90 3gk0 s ILE 11 CO 0.00 0.44 0.11 -1.81 -1.91 0.00 0.00 174.94 171.77 3gk0 s ASP 12 N 0.04 5.97 -0.20 4.50 1.01 -0.30 -4.92 116.67 122.76 3gk0 s ASP 12 Ca 0.19 0.28 -0.07 0.00 0.71 0.00 0.00 52.55 53.67 3gk0 s ASP 12 Cb -0.14 -1.81 -0.03 0.00 1.01 0.00 0.00 42.92 41.94 3gk0 s ASP 12 CO 0.07 0.32 0.04 -0.22 0.21 0.00 0.00 175.17 175.60 3gk0 s LEU 13 N -1.46 3.56 -0.21 1.23 2.96 -1.26 -0.60 118.68 122.90 3gk0 s LEU 13 Ca 0.20 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3gk0 s LEU 13 Cb -0.12 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3gk0 s LEU 13 CO 0.11 0.10 0.02 -0.83 -1.32 0.00 0.00 176.35 174.42 3gk0 s GLY 14 N 0.83 1.74 -0.24 7.98 0.00 -0.31 -0.60 107.32 116.72 3gk0 s GLY 14 Ca 0.03 -1.01 -0.13 0.00 0.00 0.00 0.00 44.72 43.61 3gk0 s GLY 14 CO 0.02 0.30 0.28 0.14 0.00 0.00 0.00 173.10 173.84 3gk0 s VAL 15 N 1.11 5.26 -0.26 1.40 1.01 -0.42 -0.71 120.40 127.78 3gk0 s VAL 15 Ca 0.03 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 3gk0 s VAL 15 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 3gk0 s VAL 15 CO 0.02 0.26 0.42 0.21 0.00 0.00 0.00 175.10 176.01 3gk0 s ASN 16 N 1.31 6.32 0.00 3.32 3.84 0.20 -0.63 114.94 129.29 3gk0 s ASN 16 Ca 0.13 0.38 0.19 0.00 0.21 0.00 0.00 52.86 53.76 3gk0 s ASN 16 Cb -0.15 -2.24 0.53 0.00 -0.55 0.00 0.00 41.25 38.85 3gk0 s ASN 16 CO 0.08 -0.22 1.43 2.30 -2.79 0.00 0.00 177.10 177.91 3gk0 n ILE 17 N 5.11 0.50 -0.25 -5.21 -5.35 -0.91 -4.43 119.36 108.82 3gk0 n ILE 17 Ca -0.07 -0.61 0.04 0.00 -0.27 0.00 0.00 62.75 61.84 3gk0 n ILE 17 Cb 0.50 0.52 0.17 0.00 -1.74 0.00 0.00 39.64 39.09 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 3.18 0.32 0.49 7.28 3.32 -1.93 -2.28 116.42 126.79 3gk0 h ASP 18 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3gk0 h ASP 18 Cb 0.71 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3gk0 h ASP 18 CO 0.00 0.14 -0.05 1.41 -1.72 0.00 0.00 179.24 179.02 3gk0 n HIS 19 N -4.97 0.00 -0.04 4.55 8.25 -1.26 -1.95 115.22 119.80 3gk0 n HIS 19 Ca 0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.45 3gk0 n HIS 19 Cb 0.38 -0.24 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 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 0.19 1.40 -0.51 1.59 2.07 -1.75 -3.01 116.25 116.23 3gk0 h VAL 20 Ca 0.00 -1.55 0.04 0.00 0.82 0.00 0.00 66.70 66.02 3gk0 h VAL 20 Cb 0.31 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3gk0 h VAL 20 CO 0.00 0.45 0.34 0.00 0.02 0.00 0.00 177.57 178.38 3gk0 h ALA 21 N 0.50 1.80 -0.54 1.67 0.00 -1.46 -1.93 119.26 119.30 3gk0 h ALA 21 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 21 Cb 0.84 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3gk0 h ALA 21 CO 0.05 0.13 0.32 1.15 0.00 0.00 0.00 179.25 180.90 3gk0 h THR 22 N 0.54 1.06 -0.37 0.00 2.02 -1.36 -0.07 112.91 114.73 3gk0 h THR 22 Ca 0.21 -0.22 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 3gk0 h THR 22 Cb 0.17 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 3gk0 h THR 22 CO -0.06 0.12 -0.17 0.25 0.37 0.00 0.00 175.52 176.03 3gk0 h LEU 23 N 0.64 0.78 0.23 2.58 5.85 -1.33 -2.87 115.31 121.20 3gk0 h LEU 23 Ca 0.22 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 3gk0 h LEU 23 Cb 0.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.84 3gk0 h LEU 23 CO -0.10 1.01 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.80 3gk0 h ARG 24 N 0.55 -0.32 -0.01 1.25 2.43 -1.09 -3.04 114.38 114.15 3gk0 h ARG 24 Ca 0.08 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3gk0 h ARG 24 Cb 0.71 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 3gk0 h ARG 24 CO 0.05 -0.21 0.01 -0.91 -1.51 0.00 0.00 179.97 177.40 3gk0 h ASN 25 N -0.33 0.00 0.30 -3.80 4.21 -1.01 -1.41 115.58 113.53 3gk0 h ASN 25 Ca -0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3gk0 h ASN 25 Cb 0.26 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 3gk0 h ASN 25 CO 0.05 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.19 3gk0 h ALA 26 N 1.99 1.00 0.00 -0.83 0.00 -1.38 -3.24 119.26 116.80 3gk0 h ALA 26 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gk0 h ALA 26 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gk0 h ALA 26 CO -0.00 0.00 -1.05 -2.13 0.00 0.00 0.00 179.25 176.07 3gk0 n ARG 27 N -2.59 2.54 -0.83 0.00 3.00 -0.62 -5.05 116.66 113.11 3gk0 n ARG 27 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 3gk0 n ARG 27 Cb 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.56 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 2.78 0.73 1.17 5.14 0.00 -0.69 -5.07 105.19 109.26 3gk0 n GLY 28 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.47 0.00 1.38 2.61 -2.24 -1.26 -4.99 114.28 107.31 3gk0 n THR 29 Ca 0.00 -0.34 0.14 0.00 -2.27 0.00 0.00 64.05 61.58 3gk0 n THR 29 Cb 0.00 -1.71 0.52 0.00 -2.10 0.00 0.00 70.33 67.05 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 -3.19 2.85 -2.41 6.98 0.00 -1.26 -4.82 120.51 118.66 3gk0 n ALA 30 Ca -0.06 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.76 3gk0 n ALA 30 Cb 0.18 -1.24 -0.15 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 -2.40 2.02 0.48 0.00 1.51 -1.26 -3.29 117.35 114.41 3gk0 s TYR 31 Ca 0.29 -0.39 -0.22 0.00 -1.01 0.00 0.00 57.07 55.74 3gk0 s TYR 31 Cb 0.20 -1.24 -0.07 0.00 -0.11 0.00 0.00 41.96 40.74 3gk0 s TYR 31 CO 0.47 0.06 1.17 -1.25 -1.11 0.00 0.00 175.55 174.89 3gk0 s PRO 32 N -0.98 3.63 -0.41 -1.71 0.04 -1.26 -4.40 135.00 129.91 3gk0 s PRO 32 Ca 0.09 1.79 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 3gk0 s PRO 32 Cb -0.09 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.14 3gk0 s PRO 32 CO 0.01 -0.66 0.66 0.34 0.04 0.00 0.00 177.00 177.39 3gk0 s ASP 33 N -1.40 6.36 0.48 6.66 2.15 -1.21 -4.56 116.67 125.16 3gk0 s ASP 33 Ca 0.66 -0.16 0.22 0.00 0.43 0.00 0.00 52.55 53.69 3gk0 s ASP 33 Cb -0.29 -2.33 1.22 0.00 -0.30 0.00 0.00 42.92 41.22 3gk0 s ASP 33 CO 0.34 -0.74 2.01 1.55 -0.17 0.00 0.00 175.17 178.17 3gk0 h PRO 34 N 8.76 0.00 -0.32 4.34 0.13 -1.88 -0.48 132.00 142.55 3gk0 h PRO 34 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3gk0 h PRO 34 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3gk0 h PRO 34 CO 0.88 0.17 0.15 0.28 -0.23 0.00 0.00 178.00 179.26 3gk0 h VAL 35 N 0.00 1.16 -0.79 1.56 2.07 -1.92 -0.37 116.25 117.96 3gk0 h VAL 35 Ca -0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3gk0 h VAL 35 Cb 0.39 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3gk0 h VAL 35 CO 0.02 0.16 0.36 -0.09 0.02 0.00 0.00 177.57 178.05 3gk0 h ARG 36 N 0.38 1.15 -0.63 1.57 2.43 -1.78 -2.36 114.38 115.14 3gk0 h ARG 36 Ca 0.11 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3gk0 h ARG 36 Cb 0.12 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3gk0 h ARG 36 CO -0.01 0.90 0.24 0.00 -1.51 0.00 0.00 179.97 179.58 3gk0 h ALA 37 N 1.26 0.82 0.58 2.80 0.00 -0.76 -1.84 119.26 122.12 3gk0 h ALA 37 Ca 0.27 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gk0 h ALA 37 Cb 0.14 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gk0 h ALA 37 CO -0.03 0.46 -0.28 0.00 0.00 0.00 0.00 179.25 179.40 3gk0 h ALA 38 N 1.09 -0.77 -0.43 0.00 0.00 -0.77 -0.12 119.26 118.26 3gk0 h ALA 38 Ca 0.21 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 38 Cb 0.23 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3gk0 h ALA 38 CO -0.01 -0.91 0.29 -0.07 0.00 0.00 0.00 179.25 178.54 3gk0 h LEU 39 N -0.83 0.48 -0.84 0.00 3.38 -1.44 0.58 115.31 116.65 3gk0 h LEU 39 Ca -0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3gk0 h LEU 39 Cb 0.61 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3gk0 h LEU 39 CO 0.13 0.35 -0.41 0.00 0.09 0.00 0.00 178.44 178.59 3gk0 h ALA 40 N 1.73 0.96 -0.45 1.53 0.00 -1.19 -2.74 119.26 119.11 3gk0 h ALA 40 Ca 0.16 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3gk0 h ALA 40 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gk0 h ALA 40 CO -0.04 0.52 -0.28 0.00 0.00 0.00 0.00 179.25 179.45 3gk0 h ALA 41 N 1.59 0.65 -0.40 0.00 0.00 0.10 -2.16 119.26 119.04 3gk0 h ALA 41 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gk0 h ALA 41 Cb 0.96 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3gk0 h ALA 41 CO 0.05 0.68 0.24 0.93 0.00 0.00 0.00 179.25 181.15 3gk0 h GLU 42 N 0.83 0.55 -0.02 0.00 5.08 -1.32 0.91 114.58 120.61 3gk0 h GLU 42 Ca 0.09 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3gk0 h GLU 42 Cb 0.86 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 3gk0 h GLU 42 CO 0.08 0.42 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.00 3gk0 h ASP 43 N 0.53 0.02 0.33 1.42 3.32 -1.38 -2.37 116.42 118.29 3gk0 h ASP 43 Ca 0.14 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3gk0 h ASP 43 Cb 0.02 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gk0 h ASP 43 CO -0.03 0.10 -0.23 0.00 -1.72 0.00 0.00 179.24 177.36 3gk0 n ALA 44 N -2.52 3.01 0.00 3.45 0.00 -0.82 -4.93 120.51 118.69 3gk0 n ALA 44 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 3gk0 n ALA 44 Cb 0.16 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.35 1.20 3.65 0.00 0.00 -0.89 -4.01 105.19 106.49 3gk0 n GLY 45 Ca 0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 3gk0 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 n ALA 46 N 0.00 0.63 0.14 4.61 0.00 0.27 -4.87 120.51 121.30 3gk0 n ALA 46 Ca 0.00 0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.98 3gk0 n ALA 46 Cb 0.00 -2.22 0.03 0.00 0.00 0.00 0.00 19.45 17.26 3gk0 n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gk0 h ASP 47 N 4.10 0.00 -5.06 0.00 3.32 -1.18 -3.41 116.42 114.19 3gk0 h ASP 47 Ca -0.45 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3gk0 h ASP 47 Cb 1.29 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.68 3gk0 h ASP 47 CO 0.75 0.01 -0.19 0.00 -1.72 0.00 0.00 179.24 178.09 3gk0 s ALA 48 N -3.34 -0.77 -0.15 3.45 0.00 -0.81 -3.57 121.76 116.57 3gk0 s ALA 48 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 3gk0 s ALA 48 Cb 0.09 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.60 3gk0 s ALA 48 CO 0.77 -0.48 -0.08 0.42 0.00 0.00 0.00 175.76 176.39 3gk0 s ILE 49 N -2.88 3.40 -0.04 0.00 -1.09 0.31 -1.30 121.20 119.60 3gk0 s ILE 49 Ca -0.03 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 3gk0 s ILE 49 Cb 0.00 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 3gk0 s ILE 49 CO -0.05 0.50 -0.06 -0.89 -1.23 0.00 0.00 174.94 173.20 3gk0 s THR 50 N 0.52 3.74 -0.21 2.92 2.01 0.19 0.53 115.64 125.34 3gk0 s THR 50 Ca -0.06 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 3gk0 s THR 50 Cb -0.15 -2.57 0.06 0.00 0.01 0.00 0.00 72.50 69.85 3gk0 s THR 50 CO 0.03 0.51 0.53 -1.48 -0.69 0.00 0.00 174.62 173.52 3gk0 s LEU 51 N -1.09 -0.27 -0.51 4.42 2.34 -0.68 -2.14 118.68 120.75 3gk0 s LEU 51 Ca 0.15 1.12 -0.15 0.00 0.06 0.00 0.00 54.13 55.30 3gk0 s LEU 51 Cb -0.11 1.80 0.11 0.00 -0.56 0.00 0.00 46.19 47.43 3gk0 s LEU 51 CO 0.04 -0.20 0.45 -2.28 -1.06 0.00 0.00 176.35 173.30 3gk0 s HIS 52 N 0.95 3.26 -0.89 3.48 5.65 -1.26 -1.45 115.29 125.03 3gk0 s HIS 52 Ca -0.05 -1.21 -0.24 0.00 0.25 0.00 0.00 55.06 53.81 3gk0 s HIS 52 Cb -0.06 -3.56 0.05 0.00 -1.18 0.00 0.00 32.58 27.83 3gk0 s HIS 52 CO -0.08 -0.94 1.34 -1.17 -0.65 0.00 0.00 174.74 173.23 3gk0 s LEU 53 N 1.60 3.52 0.68 8.88 0.20 -1.05 -4.38 118.68 128.14 3gk0 s LEU 53 Ca 0.03 -1.09 -0.12 0.00 0.69 0.00 0.00 54.13 53.64 3gk0 s LEU 53 Cb -0.28 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.94 3gk0 s LEU 53 CO 0.04 -1.60 1.06 -0.13 -0.29 0.00 0.00 176.35 175.43 3gk0 s ARG 54 N 5.06 2.94 0.22 1.98 0.52 -1.26 -4.69 118.95 123.72 3gk0 s ARG 54 Ca 0.40 1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 56.59 3gk0 s ARG 54 Cb -0.04 -1.99 0.23 0.00 0.52 0.00 0.00 34.95 33.68 3gk0 s ARG 54 CO 0.00 -1.11 1.87 0.93 0.02 0.00 0.00 175.30 177.02 3gk0 h GLU 55 N -0.46 0.97 -0.23 3.54 5.08 -1.97 -2.35 114.58 119.16 3gk0 h GLU 55 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3gk0 h GLU 55 Cb 1.22 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3gk0 h GLU 55 CO 0.56 0.64 0.00 -0.40 -1.00 0.00 0.00 179.01 178.81 3gk0 n ASP 56 N -4.59 0.89 -4.18 1.42 5.68 -1.26 -4.93 116.55 109.58 3gk0 n ASP 56 Ca 0.09 -2.02 -0.33 0.00 -0.50 0.00 0.00 54.79 52.04 3gk0 n ASP 56 Cb 0.09 -0.14 -0.08 0.00 -1.14 0.00 0.00 41.12 39.84 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 -0.06 -0.85 -0.13 0.11 5.12 -0.88 -4.81 116.66 115.16 3gk0 n ARG 57 Ca 0.05 0.10 0.02 0.00 -1.93 0.00 0.00 57.85 56.09 3gk0 n ARG 57 Cb 0.15 -3.70 0.31 0.00 -1.16 0.00 0.00 32.46 28.06 3gk0 n ARG 57 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 3gk0 h ARG 58 N -1.14 0.81 0.00 5.56 9.65 -1.92 -3.43 114.38 123.91 3gk0 h ARG 58 Ca -0.56 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 3gk0 h ARG 58 Cb 1.25 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3gk0 h ARG 58 CO 0.72 0.55 0.00 -2.39 2.80 0.00 0.00 179.97 181.65 3gk0 n HIS 59 N -4.43 0.00 -2.12 2.20 1.44 -1.26 -4.85 115.22 106.19 3gk0 n HIS 59 Ca 0.06 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.36 3gk0 n HIS 59 Cb 0.05 0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.23 3gk0 n HIS 59 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3gk0 s ILE 60 N -0.34 2.91 0.37 0.61 -1.09 -1.26 -4.72 121.20 117.67 3gk0 s ILE 60 Ca 0.00 0.78 0.08 0.00 -2.23 0.00 0.00 60.65 59.28 3gk0 s ILE 60 Cb 0.00 -3.50 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 3gk0 s ILE 60 CO 0.00 0.13 0.13 0.68 -1.23 0.00 0.00 174.94 174.65 3gk0 s VAL 61 N -0.14 2.68 0.32 2.92 -7.23 -1.26 -4.50 120.40 113.19 3gk0 s VAL 61 Ca 0.56 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 3gk0 s VAL 61 Cb -0.39 -2.95 0.29 0.00 0.56 0.00 0.00 36.38 33.89 3gk0 s VAL 61 CO 0.42 -0.12 1.91 0.44 -0.31 0.00 0.00 175.10 177.44 3gk0 h ASP 62 N 1.55 0.83 -0.70 4.85 5.19 -1.96 -2.07 116.42 124.11 3gk0 h ASP 62 Ca -0.43 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.96 3gk0 h ASP 62 Cb 1.25 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 3gk0 h ASP 62 CO 0.66 0.51 0.32 0.00 -3.12 0.00 0.00 179.24 177.61 3gk0 h ALA 63 N 1.54 1.21 -0.17 3.45 0.00 -1.99 -1.89 119.26 121.42 3gk0 h ALA 63 Ca 0.39 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3gk0 h ALA 63 Cb 0.31 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3gk0 h ALA 63 CO -0.16 0.59 -0.24 -0.44 0.00 0.00 0.00 179.25 179.01 3gk0 h ASP 64 N 1.03 -0.74 -0.47 0.00 3.45 -1.78 -0.60 116.42 117.30 3gk0 h ASP 64 Ca 0.25 0.12 -0.06 0.00 0.43 0.00 0.00 57.03 57.77 3gk0 h ASP 64 Cb 0.14 0.34 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 3gk0 h ASP 64 CO -0.03 -0.28 0.10 0.58 -1.57 0.00 0.00 179.24 178.04 3gk0 h VAL 65 N -0.28 1.23 -0.05 -1.35 2.07 -1.40 -2.09 116.25 114.38 3gk0 h VAL 65 Ca 0.11 -0.87 -0.22 0.00 0.82 0.00 0.00 66.70 66.55 3gk0 h VAL 65 Cb 0.45 0.72 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3gk0 h VAL 65 CO -0.33 0.32 -0.82 0.03 0.02 0.00 0.00 177.57 176.79 3gk0 h ARG 66 N 0.79 0.63 0.00 1.57 3.08 -1.05 -2.19 114.38 117.22 3gk0 h ARG 66 Ca 0.17 -0.62 -0.06 0.00 0.07 0.00 0.00 59.98 59.54 3gk0 h ARG 66 Cb 0.34 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3gk0 h ARG 66 CO 0.00 1.23 -0.30 0.00 -1.07 0.00 0.00 179.97 179.83 3gk0 h THR 67 N 0.27 0.59 0.15 2.04 1.03 -1.10 -3.29 112.91 112.60 3gk0 h THR 67 Ca -0.09 -1.52 -0.29 0.00 -0.01 0.00 0.00 66.41 64.51 3gk0 h THR 67 Cb 1.48 2.04 0.01 0.00 -1.07 0.00 0.00 68.15 70.61 3gk0 h THR 67 CO 0.16 0.29 -1.32 0.25 -0.01 0.00 0.00 175.52 174.89 3gk0 h LEU 68 N 0.00 0.48 -0.27 0.00 5.85 -1.38 -3.40 115.31 116.59 3gk0 h LEU 68 Ca -0.00 -0.53 0.06 0.00 0.84 0.00 0.00 57.88 58.24 3gk0 h LEU 68 Cb 1.02 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.83 3gk0 h LEU 68 CO 0.04 1.42 -0.11 -0.09 -0.34 0.00 0.00 178.44 179.36 3gk0 h ARG 69 N 0.08 -0.06 0.00 1.25 9.65 -1.46 -0.82 114.38 123.01 3gk0 h ARG 69 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3gk0 h ARG 69 Cb 2.01 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.60 3gk0 h ARG 69 CO 0.21 -0.04 0.00 -2.30 2.80 0.00 0.00 179.97 180.64 3gk0 n PRO 70 N -5.29 0.04 -0.01 0.20 -0.02 -1.26 -2.85 135.00 125.81 3gk0 n PRO 70 Ca -0.00 0.40 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 3gk0 n PRO 70 Cb 0.20 -1.60 0.06 0.00 -0.02 0.00 0.00 33.50 32.14 3gk0 n PRO 70 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gk0 n ARG 71 N -1.68 0.78 -2.06 -0.52 1.74 -0.34 -4.98 116.66 109.60 3gk0 n ARG 71 Ca 0.02 -1.26 -0.42 0.00 -0.77 0.00 0.00 57.85 55.42 3gk0 n ARG 71 Cb 0.11 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gk0 s VAL 72 N -0.96 3.57 -0.58 1.55 1.01 -1.05 -4.89 120.40 119.04 3gk0 s VAL 72 Ca 0.14 0.79 0.22 0.00 0.00 0.00 0.00 61.98 63.14 3gk0 s VAL 72 Cb 0.10 -3.51 -0.18 0.00 0.00 0.00 0.00 36.38 32.79 3gk0 s VAL 72 CO 0.15 -0.05 0.89 0.29 0.00 0.00 0.00 175.10 176.38 3gk0 n LYS 73 N 6.57 0.30 0.00 2.72 5.02 -1.26 -4.88 118.16 126.63 3gk0 n LYS 73 Ca 0.16 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3gk0 n LYS 73 Cb 0.43 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3gk0 n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gk0 n THR 74 N -1.93 0.00 -4.26 -0.18 -2.24 -1.26 -5.13 114.28 99.27 3gk0 n THR 74 Ca 0.01 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 3gk0 n THR 74 Cb 0.44 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.95 0.69 -0.22 -0.78 0.52 -1.23 -5.04 118.95 114.84 3gk0 s ARG 75 Ca 0.00 -0.50 -0.12 0.00 -0.52 0.00 0.00 55.73 54.59 3gk0 s ARG 75 Cb 0.00 -0.63 -0.05 0.00 0.52 0.00 0.00 34.95 34.79 3gk0 s ARG 75 CO 0.00 0.16 0.22 1.41 0.02 0.00 0.00 175.30 177.11 3gk0 s MET 76 N -0.72 4.11 -0.37 3.54 -2.45 -1.26 -0.53 119.30 121.63 3gk0 s MET 76 Ca -0.00 -0.14 -0.05 0.00 -1.25 0.00 0.00 55.69 54.24 3gk0 s MET 76 Cb -0.06 -3.52 0.07 0.00 1.25 0.00 0.00 34.83 32.57 3gk0 s MET 76 CO 0.00 0.07 0.14 1.21 1.05 0.00 0.00 175.02 177.50 3gk0 s ASN 77 N 0.96 5.30 -0.48 1.11 2.47 0.19 -1.26 114.94 123.22 3gk0 s ASN 77 Ca 0.11 -1.45 -0.18 0.00 0.42 0.00 0.00 52.86 51.76 3gk0 s ASN 77 Cb -0.13 -1.86 0.06 0.00 -1.45 0.00 0.00 41.25 37.86 3gk0 s ASN 77 CO 0.05 -0.41 0.52 -0.22 -3.72 0.00 0.00 177.10 173.31 3gk0 s LEU 78 N 1.32 5.17 0.07 3.21 0.20 -0.00 -1.69 118.68 126.96 3gk0 s LEU 78 Ca 0.01 -1.01 -0.30 0.00 0.69 0.00 0.00 54.13 53.52 3gk0 s LEU 78 Cb -0.21 -2.35 -0.05 0.00 -0.43 0.00 0.00 46.19 43.15 3gk0 s LEU 78 CO 0.00 -0.76 1.03 -1.61 -0.29 0.00 0.00 176.35 174.73 3gk0 s GLU 79 N 2.21 4.58 0.23 1.98 2.02 -0.53 -1.83 118.70 127.37 3gk0 s GLU 79 Ca 0.11 1.53 -0.21 0.00 0.02 0.00 0.00 54.97 56.42 3gk0 s GLU 79 Cb -0.21 -3.39 0.04 0.00 0.10 0.00 0.00 34.13 30.67 3gk0 s GLU 79 CO 0.10 0.01 0.66 0.00 0.02 0.00 0.00 175.26 176.05 3gk0 s ALA 81 N -3.86 3.59 -1.22 0.00 0.00 -1.26 -1.61 121.76 117.40 3gk0 s ALA 81 Ca 0.08 -0.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 3gk0 s ALA 81 Cb -0.04 -2.32 0.20 0.00 0.00 0.00 0.00 23.12 20.97 3gk0 s ALA 81 CO -0.00 -0.66 1.69 0.28 0.00 0.00 0.00 175.76 177.07 3gk0 n VAL 82 N -2.36 4.56 -4.16 0.00 0.31 -1.26 -4.38 118.33 111.03 3gk0 n VAL 82 Ca 0.04 -4.83 -0.15 0.00 -0.01 0.00 0.00 64.34 59.39 3gk0 n VAL 82 Cb 0.58 -2.33 -0.13 0.00 -0.91 0.00 0.00 33.84 31.05 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 -0.19 0.54 0.31 2.52 -4.23 -1.26 -5.05 115.64 108.27 3gk0 s THR 83 Ca 0.38 -0.58 0.08 0.00 -1.18 0.00 0.00 61.69 60.38 3gk0 s THR 83 Cb 0.06 -0.51 0.30 0.00 1.34 0.00 0.00 72.50 73.69 3gk0 s THR 83 CO 0.02 -0.05 1.72 -0.65 -0.54 0.00 0.00 174.62 175.12 3gk0 h PRO 84 N 5.42 0.52 0.26 3.99 0.11 -1.99 -1.57 132.00 138.74 3gk0 h PRO 84 Ca -0.32 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 3gk0 h PRO 84 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gk0 h PRO 84 CO 0.46 0.34 -0.12 0.93 -0.21 0.00 0.00 178.00 179.40 3gk0 h GLU 85 N 0.53 -0.34 -0.31 1.05 3.07 -1.97 0.40 114.58 117.02 3gk0 h GLU 85 Ca 0.62 0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 59.39 3gk0 h GLU 85 Cb 1.18 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.16 3gk0 h GLU 85 CO -0.49 -0.12 -0.29 0.52 -1.40 0.00 0.00 179.01 177.23 3gk0 h MET 86 N -0.49 0.64 -0.43 2.33 2.86 -1.71 -0.41 114.93 117.72 3gk0 h MET 86 Ca -0.04 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 3gk0 h MET 86 Cb 0.37 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3gk0 h MET 86 CO 0.06 0.85 0.00 -0.07 1.06 0.00 0.00 176.91 178.81 3gk0 h LEU 87 N 0.55 0.66 -0.53 1.22 3.38 -1.26 -0.56 115.31 118.77 3gk0 h LEU 87 Ca 0.07 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3gk0 h LEU 87 Cb 0.77 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3gk0 h LEU 87 CO 0.06 0.73 -0.19 0.44 0.09 0.00 0.00 178.44 179.57 3gk0 h ASP 88 N 0.65 1.01 -0.28 -0.43 5.19 0.14 -0.59 116.42 122.12 3gk0 h ASP 88 Ca 0.13 -0.37 -0.04 0.00 -0.62 0.00 0.00 57.03 56.14 3gk0 h ASP 88 Cb 0.41 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3gk0 h ASP 88 CO 0.02 1.16 0.03 0.40 -3.12 0.00 0.00 179.24 177.73 3gk0 h ILE 89 N 0.86 1.24 -0.47 0.35 2.04 -0.86 -2.47 117.51 118.20 3gk0 h ILE 89 Ca 0.12 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.20 3gk0 h ILE 89 Cb 0.76 1.25 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 3gk0 h ILE 89 CO 0.06 0.27 0.15 0.00 0.00 0.00 0.00 178.15 178.63 3gk0 h ALA 90 N 0.85 0.56 -0.09 1.87 0.00 -0.97 -1.47 119.26 120.02 3gk0 h ALA 90 Ca 0.08 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3gk0 h ALA 90 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gk0 h ALA 90 CO 0.01 -0.25 -0.16 0.00 0.00 0.00 0.00 179.25 178.85 3gk0 h GLU 92 N 0.13 0.54 -0.00 0.00 4.81 -0.88 -3.30 114.58 115.88 3gk0 h GLU 92 Ca 0.03 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 3gk0 h GLU 92 Cb 0.37 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3gk0 h GLU 92 CO 0.02 1.28 -0.25 0.44 -0.73 0.00 0.00 179.01 179.77 3gk0 n ILE 93 N -3.97 0.00 -3.85 2.32 -6.64 -0.63 -4.97 119.36 101.62 3gk0 n ILE 93 Ca -0.12 -0.02 -0.38 0.00 -1.77 0.00 0.00 62.75 60.46 3gk0 n ILE 93 Cb 0.86 -0.06 0.03 0.00 -1.44 0.00 0.00 39.64 39.03 3gk0 n ILE 93 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 3gk0 n ARG 94 N -1.36 -0.80 -0.92 6.28 1.74 -0.70 -4.95 116.66 115.95 3gk0 n ARG 94 Ca 0.08 0.31 -0.29 0.00 -0.77 0.00 0.00 57.85 57.18 3gk0 n ARG 94 Cb 0.33 -3.39 0.19 0.00 -1.02 0.00 0.00 32.46 28.56 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 -6.54 0.36 0.07 5.56 0.04 -1.26 -4.95 135.00 128.29 3gk0 s PRO 95 Ca 0.47 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.21 3gk0 s PRO 95 Cb -0.21 -1.70 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 3gk0 s PRO 95 CO 0.91 -2.87 1.32 0.45 0.04 0.00 0.00 177.00 176.85 3gk0 h HIS 96 N -2.01 0.79 -4.00 0.56 3.86 -1.85 -3.41 115.15 109.09 3gk0 h HIS 96 Ca -0.54 -0.29 -0.48 0.00 -1.16 0.00 0.00 60.37 57.90 3gk0 h HIS 96 Cb 1.31 -0.14 -0.23 0.00 1.06 0.00 0.00 27.41 29.40 3gk0 h HIS 96 CO 0.36 1.06 -0.80 -0.51 0.86 0.00 0.00 177.93 178.89 3gk0 s ASP 97 N -6.64 1.99 0.01 2.45 1.01 -0.39 -1.49 116.67 113.61 3gk0 s ASP 97 Ca -0.12 -0.57 0.06 0.00 0.71 0.00 0.00 52.55 52.63 3gk0 s ASP 97 Cb 0.07 -0.11 -0.02 0.00 1.01 0.00 0.00 42.92 43.87 3gk0 s ASP 97 CO 0.83 0.02 -0.18 0.00 0.21 0.00 0.00 175.17 176.05 3gk0 s ALA 98 N -1.04 1.53 -0.23 5.23 0.00 -0.76 -0.82 121.76 125.66 3gk0 s ALA 98 Ca 0.02 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3gk0 s ALA 98 Cb -0.09 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.74 3gk0 s ALA 98 CO 0.02 0.35 -0.13 0.00 0.00 0.00 0.00 175.76 176.01 3gk0 s LEU 100 N 1.20 4.25 0.11 0.00 1.43 -0.34 -1.60 118.68 123.73 3gk0 s LEU 100 Ca -0.05 1.70 0.07 0.00 -1.03 0.00 0.00 54.13 54.82 3gk0 s LEU 100 Cb -0.18 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3gk0 s LEU 100 CO -0.07 -0.57 -0.16 0.68 0.23 0.00 0.00 176.35 176.45 3gk0 s VAL 101 N 2.37 1.46 0.30 -1.59 -7.23 -0.63 -1.92 120.40 113.17 3gk0 s VAL 101 Ca 0.53 -1.63 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 3gk0 s VAL 101 Cb -0.22 -1.50 -0.09 0.00 0.56 0.00 0.00 36.38 35.13 3gk0 s VAL 101 CO 0.19 -0.27 1.00 -2.16 -0.31 0.00 0.00 175.10 173.54 3gk0 s PRO 102 N -2.32 4.60 0.00 4.82 0.04 -1.26 -4.19 135.00 136.69 3gk0 s PRO 102 Ca 0.07 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3gk0 s PRO 102 Cb -0.07 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3gk0 s PRO 102 CO 0.04 0.26 0.00 0.39 0.04 0.00 0.00 177.00 177.72 3gk0 n GLU 103 N 0.84 0.00 -2.25 4.56 1.02 -1.26 -5.02 120.64 118.53 3gk0 n GLU 103 Ca 0.01 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.82 3gk0 n GLU 103 Cb 0.48 -0.78 -0.01 0.00 -0.02 0.00 0.00 31.44 31.10 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 -1.78 3.59 0.51 3.49 1.02 -1.26 -4.95 119.74 120.36 3gk0 s LYS 104 Ca 0.00 1.17 0.31 0.00 0.02 0.00 0.00 55.97 57.46 3gk0 s LYS 104 Cb 0.00 -2.07 1.12 0.00 -0.52 0.00 0.00 37.83 36.35 3gk0 s LYS 104 CO 0.00 -0.58 1.89 -0.09 -0.92 0.00 0.00 175.35 175.65 3gk0 h ARG 105 N 0.81 0.00 -0.00 1.68 2.43 -1.97 -2.70 114.38 114.62 3gk0 h ARG 105 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3gk0 h ARG 105 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 3gk0 h ARG 105 CO 0.59 0.00 -0.05 -1.13 -1.51 0.00 0.00 179.97 177.86 3gk0 n SER 106 N -3.04 0.27 -0.14 -3.80 3.41 -1.26 -3.76 113.62 105.30 3gk0 n SER 106 Ca 0.01 -0.50 0.08 0.00 -0.26 0.00 0.00 58.87 58.20 3gk0 n SER 106 Cb 0.35 -0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.05 1.64 -4.42 4.33 1.02 -1.02 -4.98 120.64 116.16 3gk0 n GLU 107 Ca 0.16 -0.31 -0.27 0.00 -0.02 0.00 0.00 57.16 56.72 3gk0 n GLU 107 Cb 0.24 -1.28 -0.12 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.52 2.47 0.89 -4.62 0.05 -1.25 -0.59 118.68 113.12 3gk0 s LEU 108 Ca 0.09 -0.86 -0.14 0.00 0.05 0.00 0.00 54.13 53.28 3gk0 s LEU 108 Cb 0.13 -1.20 0.14 0.00 -2.05 0.00 0.00 46.19 43.21 3gk0 s LEU 108 CO 0.58 0.12 1.24 0.42 -0.55 0.00 0.00 176.35 178.15 3gk0 s THR 109 N -1.70 1.99 0.44 5.48 -4.23 -0.59 -4.80 115.64 112.23 3gk0 s THR 109 Ca 0.21 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.95 3gk0 s THR 109 Cb -0.08 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 71.04 3gk0 s THR 109 CO 0.10 0.00 2.05 0.71 -0.54 0.00 0.00 174.62 176.94 3gk0 h THR 110 N -1.37 0.79 0.00 3.99 1.35 -1.98 -2.33 112.91 113.36 3gk0 h THR 110 Ca -0.46 -0.54 -0.18 0.00 -0.55 0.00 0.00 66.41 64.68 3gk0 h THR 110 Cb 1.29 1.32 -0.03 0.00 -1.73 0.00 0.00 68.15 69.00 3gk0 h THR 110 CO 0.53 0.14 -0.88 -0.08 -0.25 0.00 0.00 175.52 174.98 3gk0 h GLU 111 N 0.00 0.00 0.00 4.72 4.81 -2.03 -3.48 114.58 118.60 3gk0 h GLU 111 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gk0 h GLU 111 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3gk0 h GLU 111 CO 0.02 0.88 0.00 0.41 -0.73 0.00 0.00 179.01 179.59 3gk0 n GLY 112 N 1.00 1.03 3.89 1.92 0.00 -0.88 -4.97 105.19 107.18 3gk0 n GLY 112 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.33 1.62 0.30 -0.02 0.00 -1.26 -4.73 107.32 102.90 3gk0 s GLY 113 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 44.72 43.95 3gk0 s GLY 113 CO 0.00 -0.07 1.59 -2.27 0.00 0.00 0.00 173.10 172.35 3gk0 s LEU 114 N -5.41 4.34 -1.19 0.66 0.20 -0.32 -1.53 118.68 115.43 3gk0 s LEU 114 Ca 0.59 2.97 -0.16 0.00 0.69 0.00 0.00 54.13 58.22 3gk0 s LEU 114 Cb -0.11 -3.64 0.12 0.00 -0.43 0.00 0.00 46.19 42.13 3gk0 s LEU 114 CO 0.50 -0.92 1.50 -0.62 -0.29 0.00 0.00 176.35 176.53 3gk0 s ASP 115 N 0.44 6.90 0.25 3.68 3.68 0.24 -4.72 116.67 127.13 3gk0 s ASP 115 Ca 0.62 -2.58 0.02 0.00 2.13 0.00 0.00 52.55 52.74 3gk0 s ASP 115 Cb -0.48 -2.47 0.29 0.00 -1.45 0.00 0.00 42.92 38.81 3gk0 s ASP 115 CO 0.50 -0.98 1.62 0.58 0.13 0.00 0.00 175.17 177.01 3gk0 h VAL 116 N 5.27 1.31 -0.23 1.11 2.07 -1.91 -1.94 116.25 121.92 3gk0 h VAL 116 Ca 0.33 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3gk0 h VAL 116 Cb 0.90 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3gk0 h VAL 116 CO 1.32 0.49 0.11 0.58 0.02 0.00 0.00 177.57 180.09 3gk0 h VAL 117 N 0.35 1.13 0.00 2.57 2.07 -1.89 -1.58 116.25 118.90 3gk0 h VAL 117 Ca 0.03 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3gk0 h VAL 117 Cb 0.90 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3gk0 h VAL 117 CO 0.08 0.13 0.00 1.23 0.02 0.00 0.00 177.57 179.03 3gk0 h GLY 118 N 0.24 0.00 -3.31 2.17 0.00 -1.93 -3.29 103.07 96.95 3gk0 h GLY 118 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.16 3gk0 h GLY 118 CO -0.01 0.00 -0.87 1.42 0.00 0.00 0.00 176.54 177.08 3gk0 n HIS 119 N -2.94 1.06 -0.01 5.60 8.25 -0.74 -4.95 115.22 121.48 3gk0 n HIS 119 Ca 0.02 -1.62 -0.10 0.00 -0.26 0.00 0.00 57.72 55.76 3gk0 n HIS 119 Cb 0.35 -0.25 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 1.72 -0.78 -0.46 4.41 3.57 -1.36 -1.53 116.94 122.51 3gk0 h PHE 120 Ca 0.01 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 3gk0 h PHE 120 Cb 1.42 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 40.51 3gk0 h PHE 120 CO 0.59 -0.36 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.84 3gk0 h ASP 121 N -0.34 0.75 -0.40 0.41 3.32 -1.92 0.71 116.42 118.95 3gk0 h ASP 121 Ca 0.11 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 3gk0 h ASP 121 Cb 0.51 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3gk0 h ASP 121 CO -0.35 0.83 0.05 0.00 -1.72 0.00 0.00 179.24 178.04 3gk0 h ALA 122 N 1.25 0.53 -0.44 3.45 0.00 -1.86 -1.75 119.26 120.45 3gk0 h ALA 122 Ca 0.14 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3gk0 h ALA 122 Cb 0.47 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gk0 h ALA 122 CO 0.02 0.26 -0.24 0.28 0.00 0.00 0.00 179.25 179.58 3gk0 h VAL 123 N 0.51 1.27 -0.59 0.00 2.07 -0.82 -1.46 116.25 117.23 3gk0 h VAL 123 Ca 0.12 -1.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 3gk0 h VAL 123 Cb 0.40 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 3gk0 h VAL 123 CO 0.01 0.47 0.19 -0.09 0.02 0.00 0.00 177.57 178.18 3gk0 h ARG 124 N 0.78 0.92 -0.71 1.57 2.43 -0.84 -0.98 114.38 117.54 3gk0 h ARG 124 Ca 0.10 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 3gk0 h ARG 124 Cb 0.79 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3gk0 h ARG 124 CO 0.07 0.81 0.21 0.00 -1.51 0.00 0.00 179.97 179.55 3gk0 h ALA 125 N 1.06 1.04 -0.75 2.80 0.00 -1.13 -2.14 119.26 120.15 3gk0 h ALA 125 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gk0 h ALA 125 Cb 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3gk0 h ALA 125 CO -0.01 0.64 0.38 0.00 0.00 0.00 0.00 179.25 180.26 3gk0 h ALA 126 N 1.18 0.97 -0.72 0.00 0.00 -1.08 -1.84 119.26 117.77 3gk0 h ALA 126 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3gk0 h ALA 126 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3gk0 h ALA 126 CO -0.01 0.52 0.31 0.00 0.00 0.00 0.00 179.25 180.07 3gk0 h LYS 128 N 1.01 0.76 -0.23 0.00 3.11 -1.21 0.07 116.57 120.09 3gk0 h LYS 128 Ca 0.24 -0.36 -0.15 0.00 -2.81 0.00 0.00 60.65 57.57 3gk0 h LYS 128 Cb 0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 3gk0 h LYS 128 CO -0.02 0.98 -0.48 -0.56 -2.81 0.00 0.00 179.45 176.55 3gk0 h GLN 129 N 0.55 0.62 -0.32 1.90 3.07 -1.29 -0.09 115.11 119.54 3gk0 h GLN 129 Ca 0.07 -0.35 -0.16 0.00 0.09 0.00 0.00 58.65 58.29 3gk0 h GLN 129 Cb 0.78 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 28.36 3gk0 h GLN 129 CO 0.06 0.96 -0.45 -0.07 0.09 0.00 0.00 178.83 179.43 3gk0 h LEU 130 N 0.49 0.90 -0.92 0.06 3.38 -1.27 -2.71 115.31 115.23 3gk0 h LEU 130 Ca 0.03 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 3gk0 h LEU 130 Cb 1.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3gk0 h LEU 130 CO 0.09 1.21 -0.46 0.00 0.09 0.00 0.00 178.44 179.37 3gk0 h ALA 131 N 0.82 1.10 0.00 1.53 0.00 -0.82 -0.58 119.26 121.31 3gk0 h ALA 131 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3gk0 h ALA 131 Cb 1.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gk0 h ALA 131 CO 0.10 0.61 -0.23 -0.44 0.00 0.00 0.00 179.25 179.29 3gk0 h ASP 132 N 0.14 0.00 -0.20 0.00 3.32 -0.92 -2.07 116.42 116.70 3gk0 h ASP 132 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gk0 h ASP 132 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3gk0 h ASP 132 CO 0.07 0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.82 3gk0 n ALA 133 N -2.42 2.50 -0.80 3.45 0.00 -0.79 -4.92 120.51 117.53 3gk0 n ALA 133 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3gk0 n ALA 133 Cb 0.30 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.09 0.64 3.75 0.00 0.00 -0.78 -4.91 105.19 104.99 3gk0 n GLY 134 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.21 4.72 -0.37 1.61 1.01 -0.29 -4.92 120.40 119.93 3gk0 s VAL 135 Ca 0.00 1.56 -0.25 0.00 0.00 0.00 0.00 61.98 63.29 3gk0 s VAL 135 Cb 0.00 -4.08 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3gk0 s VAL 135 CO 0.00 0.40 0.90 -0.60 0.00 0.00 0.00 175.10 175.80 3gk0 s ARG 136 N -0.24 3.81 -0.10 2.72 3.52 -0.56 -3.82 118.95 124.28 3gk0 s ARG 136 Ca 0.37 0.50 -0.12 0.00 -0.13 0.00 0.00 55.73 56.35 3gk0 s ARG 136 Cb -0.20 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.33 3gk0 s ARG 136 CO 0.22 -0.95 0.29 0.08 -0.81 0.00 0.00 175.30 174.14 3gk0 s VAL 137 N 3.43 5.27 0.16 7.11 1.01 -1.26 -1.84 120.40 134.28 3gk0 s VAL 137 Ca 0.37 0.56 0.10 0.00 0.00 0.00 0.00 61.98 63.00 3gk0 s VAL 137 Cb -0.12 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3gk0 s VAL 137 CO 0.19 0.50 -0.22 -0.55 0.00 0.00 0.00 175.10 175.02 3gk0 s SER 138 N -0.34 3.08 -0.07 3.32 0.15 0.10 -2.36 113.70 117.58 3gk0 s SER 138 Ca 0.18 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 56.05 3gk0 s SER 138 Cb -0.14 -0.21 -0.00 0.00 -1.71 0.00 0.00 66.02 63.96 3gk0 s SER 138 CO 0.07 0.07 -0.22 -0.76 1.20 0.00 0.00 173.24 173.61 3gk0 s LEU 139 N -2.49 2.00 -0.29 3.45 1.43 -0.99 -1.20 118.68 120.58 3gk0 s LEU 139 Ca 0.16 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.58 3gk0 s LEU 139 Cb -0.08 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3gk0 s LEU 139 CO 0.08 0.17 0.67 0.12 0.23 0.00 0.00 176.35 177.62 3gk0 s PHE 140 N 0.14 3.23 0.06 0.29 2.19 -0.81 -0.56 117.98 122.51 3gk0 s PHE 140 Ca -0.10 0.71 -0.07 0.00 0.33 0.00 0.00 56.93 57.79 3gk0 s PHE 140 Cb -0.15 -3.02 -0.01 0.00 -1.31 0.00 0.00 43.02 38.54 3gk0 s PHE 140 CO 0.05 -0.46 0.15 0.96 1.83 0.00 0.00 175.22 177.75 3gk0 s ILE 141 N 2.68 0.14 0.56 3.12 -4.36 -0.17 -1.17 121.20 122.00 3gk0 s ILE 141 Ca 0.27 -1.12 -0.19 0.00 -0.26 0.00 0.00 60.65 59.36 3gk0 s ILE 141 Cb -0.15 -1.10 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 3gk0 s ILE 141 CO 0.11 -0.62 1.14 -1.81 0.24 0.00 0.00 174.94 174.00 3gk0 s ASP 142 N -2.43 5.59 -0.97 4.36 1.01 -1.26 -1.11 116.67 121.87 3gk0 s ASP 142 Ca -0.01 2.19 -0.19 0.00 0.71 0.00 0.00 52.55 55.26 3gk0 s ASP 142 Cb 0.02 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 3gk0 s ASP 142 CO -0.07 -1.31 2.04 -0.81 0.21 0.00 0.00 175.17 175.23 3gk0 n PRO 143 N -1.44 1.92 -4.20 8.23 -0.04 -1.26 -4.67 135.00 133.54 3gk0 n PRO 143 Ca 0.12 -2.01 -0.28 0.00 -0.04 0.00 0.00 63.50 61.28 3gk0 n PRO 143 Cb 0.51 -2.97 -0.17 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.38 2.41 0.35 3.54 2.15 -1.26 -4.80 116.67 123.45 3gk0 s ASP 144 Ca 0.54 -0.41 0.04 0.00 0.43 0.00 0.00 52.55 53.15 3gk0 s ASP 144 Cb 0.14 -1.05 0.68 0.00 -0.30 0.00 0.00 42.92 42.40 3gk0 s ASP 144 CO 0.05 -0.04 1.98 -0.08 -0.17 0.00 0.00 175.17 176.92 3gk0 h GLU 145 N 7.76 0.79 -0.62 4.34 4.81 -1.99 0.20 114.58 129.87 3gk0 h GLU 145 Ca -0.33 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 3gk0 h GLU 145 Cb 1.15 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 3gk0 h GLU 145 CO 0.48 0.53 0.15 0.00 -0.73 0.00 0.00 179.01 179.44 3gk0 h ALA 146 N 1.60 0.81 -0.41 2.92 0.00 -1.96 0.78 119.26 123.00 3gk0 h ALA 146 Ca 0.28 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3gk0 h ALA 146 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gk0 h ALA 146 CO -0.08 0.53 -0.35 1.96 0.00 0.00 0.00 179.25 181.31 3gk0 h GLN 147 N 0.91 0.96 -0.05 0.00 1.08 -1.20 -0.39 115.11 116.42 3gk0 h GLN 147 Ca 0.19 -0.48 0.01 0.00 -1.45 0.00 0.00 58.65 56.92 3gk0 h GLN 147 Cb 0.36 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3gk0 h GLN 147 CO 0.00 1.15 -0.00 0.82 -0.95 0.00 0.00 178.83 179.85 3gk0 h ILE 148 N 0.79 0.96 -0.35 2.54 2.04 -0.46 0.26 117.51 123.30 3gk0 h ILE 148 Ca 0.07 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 3gk0 h ILE 148 Cb 0.94 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3gk0 h ILE 148 CO 0.09 0.00 0.10 0.03 0.00 0.00 0.00 178.15 178.38 3gk0 h ARG 149 N 0.01 0.24 -0.84 2.37 3.08 -0.74 -1.28 114.38 117.21 3gk0 h ARG 149 Ca 0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3gk0 h ARG 149 Cb 0.03 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3gk0 h ARG 149 CO -0.04 0.16 0.53 0.00 -1.07 0.00 0.00 179.97 179.55 3gk0 h ALA 150 N 1.23 1.13 -0.57 0.04 0.00 -0.65 -1.06 119.26 119.39 3gk0 h ALA 150 Ca 0.16 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3gk0 h ALA 150 Cb 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3gk0 h ALA 150 CO -0.18 0.33 0.16 0.00 0.00 0.00 0.00 179.25 179.57 3gk0 h ALA 151 N 1.37 0.69 -0.74 0.00 0.00 0.24 -2.51 119.26 118.31 3gk0 h ALA 151 Ca 0.35 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 3gk0 h ALA 151 Cb 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gk0 h ALA 151 CO -0.14 -0.25 0.23 1.25 0.00 0.00 0.00 179.25 180.34 3gk0 h HIS 152 N 0.32 1.19 0.00 0.00 6.17 -0.16 -2.64 115.15 120.03 3gk0 h HIS 152 Ca 0.29 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 61.25 3gk0 h HIS 152 Cb 0.38 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.97 3gk0 h HIS 152 CO -0.20 0.94 0.00 0.93 0.71 0.00 0.00 177.93 180.30 3gk0 h GLU 153 N 1.10 0.00 0.00 5.26 5.08 -0.81 -2.94 114.58 122.27 3gk0 h GLU 153 Ca 0.24 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3gk0 h GLU 153 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3gk0 h GLU 153 CO -0.01 0.00 -0.28 1.79 -1.00 0.00 0.00 179.01 179.51 3gk0 h THR 154 N 0.00 0.66 0.00 1.13 1.35 -1.17 -3.47 112.91 111.40 3gk0 h THR 154 Ca 0.00 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3gk0 h THR 154 Cb 0.38 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 3gk0 h THR 154 CO 0.00 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 3gk0 n GLY 155 N 0.26 2.35 3.67 5.82 0.00 -1.11 -4.71 105.19 111.47 3gk0 n GLY 155 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 3gk0 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gk0 n ALA 156 N -1.67 0.52 0.46 4.61 0.00 -1.25 -4.87 120.51 118.30 3gk0 n ALA 156 Ca 0.00 0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.95 3gk0 n ALA 156 Cb 0.00 -2.34 0.39 0.00 0.00 0.00 0.00 19.45 17.50 3gk0 n ALA 156 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gk0 h PRO 157 N 7.23 0.00 -5.35 0.00 0.13 -1.90 -3.44 132.00 128.67 3gk0 h PRO 157 Ca -0.47 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.25 3gk0 h PRO 157 Cb 1.29 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 3gk0 h PRO 157 CO 0.91 0.00 -0.77 0.08 -0.23 0.00 0.00 178.00 177.99 3gk0 s VAL 158 N -3.21 1.17 0.03 1.56 1.01 -1.00 -2.24 120.40 117.72 3gk0 s VAL 158 Ca 0.08 -1.46 0.05 0.00 0.00 0.00 0.00 61.98 60.65 3gk0 s VAL 158 Cb 0.10 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 3gk0 s VAL 158 CO 0.57 -0.30 -0.14 0.27 0.00 0.00 0.00 175.10 175.50 3gk0 s ILE 159 N -1.62 1.07 -0.17 2.22 -4.36 -0.51 -2.36 121.20 115.47 3gk0 s ILE 159 Ca 0.02 -0.89 -0.02 0.00 -0.26 0.00 0.00 60.65 59.49 3gk0 s ILE 159 Cb -0.08 -0.96 -0.01 0.00 1.25 0.00 0.00 42.46 42.66 3gk0 s ILE 159 CO 0.02 0.06 -0.08 -0.70 0.24 0.00 0.00 174.94 174.48 3gk0 s GLU 160 N -0.95 3.42 -0.04 0.37 2.12 0.27 -0.28 118.70 123.61 3gk0 s GLU 160 Ca 0.02 -0.64 -0.21 0.00 0.36 0.00 0.00 54.97 54.50 3gk0 s GLU 160 Cb -0.07 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 3gk0 s GLU 160 CO 0.01 0.04 0.61 -0.51 -0.54 0.00 0.00 175.26 174.87 3gk0 s LEU 161 N 0.83 4.36 -0.60 2.70 1.43 -0.25 -1.00 118.68 126.15 3gk0 s LEU 161 Ca -0.03 1.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.92 3gk0 s LEU 161 Cb -0.15 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3gk0 s LEU 161 CO 0.01 0.02 1.92 -2.28 0.23 0.00 0.00 176.35 176.24 3gk0 s HIS 162 N 0.26 1.60 -1.44 0.29 5.65 -0.26 -4.05 115.29 117.34 3gk0 s HIS 162 Ca 0.32 0.86 0.07 0.00 0.25 0.00 0.00 55.06 56.56 3gk0 s HIS 162 Cb -0.17 -4.04 0.27 0.00 -1.18 0.00 0.00 32.58 27.46 3gk0 s HIS 162 CO 0.16 -2.33 1.10 0.25 -0.65 0.00 0.00 174.74 173.28 3gk0 n THR 163 N 7.29 0.67 -0.12 0.89 -2.24 -1.26 -4.47 114.28 115.04 3gk0 n THR 163 Ca 0.22 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.46 3gk0 n THR 163 Cb 0.52 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 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 5.06 0.62 1.10 3.38 0.00 -1.89 0.35 103.07 111.70 3gk0 h GLY 164 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3gk0 h GLY 164 CO 0.08 0.35 0.23 3.21 0.00 0.00 0.00 176.54 180.41 3gk0 h ARG 165 N 0.45 1.12 0.15 4.80 3.08 -1.93 0.21 114.38 122.27 3gk0 h ARG 165 Ca 0.12 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3gk0 h ARG 165 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3gk0 h ARG 165 CO -0.00 0.96 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.83 3gk0 h TYR 166 N 1.08 -0.27 -0.53 3.04 5.03 -1.78 -2.59 116.97 120.95 3gk0 h TYR 166 Ca 0.23 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.56 3gk0 h TYR 166 Cb 0.30 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 3gk0 h TYR 166 CO 0.02 -0.17 0.33 0.00 -1.32 0.00 0.00 178.16 177.03 3gk0 h ALA 167 N 0.58 0.67 -0.30 1.82 0.00 0.16 -2.83 119.26 119.37 3gk0 h ALA 167 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gk0 h ALA 167 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gk0 h ALA 167 CO 0.00 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 3gk0 n ASP 168 N -4.76 2.09 -4.70 0.00 8.00 0.70 -4.97 116.55 112.90 3gk0 n ASP 168 Ca 0.04 -2.12 -0.42 0.00 0.71 0.00 0.00 54.79 53.00 3gk0 n ASP 168 Cb 0.06 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 0.38 1.26 0.98 2.24 0.00 -0.98 -4.89 120.51 119.50 3gk0 n ALA 169 Ca 0.11 0.31 0.12 0.00 0.00 0.00 0.00 53.44 53.98 3gk0 n ALA 169 Cb 0.38 -2.25 0.23 0.00 0.00 0.00 0.00 19.45 17.81 3gk0 n ALA 169 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gk0 n HIS 170 N 0.06 0.02 -3.81 0.00 8.25 -1.26 -4.94 115.22 113.54 3gk0 n HIS 170 Ca 0.06 0.01 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 3gk0 n HIS 170 Cb 0.38 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 3gk0 n HIS 170 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3gk0 s ASP 171 N -3.05 -0.28 0.27 0.41 -4.77 -1.26 -5.06 116.67 102.93 3gk0 s ASP 171 Ca 0.11 -0.54 -0.01 0.00 -3.30 0.00 0.00 52.55 48.81 3gk0 s ASP 171 Cb 0.17 0.69 0.52 0.00 -1.09 0.00 0.00 42.92 43.21 3gk0 s ASP 171 CO 0.71 -1.27 1.81 0.00 0.70 0.00 0.00 175.17 177.11 3gk0 h ALA 172 N 2.00 1.37 0.14 2.11 0.00 -1.98 -1.15 119.26 121.75 3gk0 h ALA 172 Ca -0.21 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3gk0 h ALA 172 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gk0 h ALA 172 CO 0.24 0.09 -0.07 0.00 0.00 0.00 0.00 179.25 179.52 3gk0 h ALA 173 N 1.53 -0.19 -0.82 0.00 0.00 -1.99 0.07 119.26 117.85 3gk0 h ALA 173 Ca 0.47 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3gk0 h ALA 173 Cb 0.52 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3gk0 h ALA 173 CO -0.29 -0.44 0.53 1.49 0.00 0.00 0.00 179.25 180.54 3gk0 h GLU 174 N -0.52 0.81 -0.44 0.00 4.81 -1.95 -2.16 114.58 115.13 3gk0 h GLU 174 Ca -0.02 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 3gk0 h GLU 174 Cb 0.41 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3gk0 h GLU 174 CO 0.03 0.54 -0.25 0.37 -0.73 0.00 0.00 179.01 178.97 3gk0 h GLN 175 N 0.84 0.92 -0.25 1.92 4.15 -0.90 -2.26 115.11 119.53 3gk0 h GLN 175 Ca 0.37 -0.41 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 3gk0 h GLN 175 Cb 0.33 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3gk0 h GLN 175 CO -0.14 1.06 0.04 0.37 -1.93 0.00 0.00 178.83 178.23 3gk0 h GLN 176 N 0.79 0.42 -0.49 1.69 4.15 -0.60 0.25 115.11 121.31 3gk0 h GLN 176 Ca 0.10 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.48 3gk0 h GLN 176 Cb 0.81 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.40 3gk0 h GLN 176 CO 0.07 0.55 0.15 0.00 -1.93 0.00 0.00 178.83 177.67 3gk0 h ARG 177 N 0.22 0.30 -0.26 1.69 3.08 -1.37 -0.71 114.38 117.33 3gk0 h ARG 177 Ca 0.08 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 3gk0 h ARG 177 Cb 0.34 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3gk0 h ARG 177 CO 0.01 0.20 -0.38 0.93 -1.07 0.00 0.00 179.97 179.66 3gk0 h GLU 178 N 0.31 0.60 -0.76 0.04 4.39 -1.24 -1.86 114.58 116.06 3gk0 h GLU 178 Ca 0.24 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.70 3gk0 h GLU 178 Cb 0.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 3gk0 h GLU 178 CO -0.27 0.88 0.45 0.35 -1.16 0.00 0.00 179.01 179.26 3gk0 h PHE 179 N 0.50 0.84 -0.11 4.33 3.57 -0.52 -1.96 116.94 123.59 3gk0 h PHE 179 Ca 0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 3gk0 h PHE 179 Cb 0.88 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3gk0 h PHE 179 CO 0.04 0.43 -0.37 0.93 -2.23 0.00 0.00 178.31 177.11 3gk0 h GLU 180 N 0.84 0.23 -0.63 1.11 5.08 -0.60 0.93 114.58 121.54 3gk0 h GLU 180 Ca 0.33 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3gk0 h GLU 180 Cb 0.15 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3gk0 h GLU 180 CO -0.16 0.57 0.23 0.00 -1.00 0.00 0.00 179.01 178.65 3gk0 h ARG 181 N 0.20 0.93 -0.01 2.33 3.08 -1.03 -0.37 114.38 119.51 3gk0 h ARG 181 Ca 0.02 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3gk0 h ARG 181 Cb 0.74 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3gk0 h ARG 181 CO 0.06 0.77 -0.02 0.82 -1.07 0.00 0.00 179.97 180.54 3gk0 h ILE 182 N 0.91 1.40 -0.43 2.04 1.08 -0.55 -1.42 117.51 120.54 3gk0 h ILE 182 Ca 0.21 -1.21 0.07 0.00 -0.39 0.00 0.00 64.86 63.54 3gk0 h ILE 182 Cb 0.21 2.20 -0.06 0.00 -3.07 0.00 0.00 36.82 36.09 3gk0 h ILE 182 CO -0.02 0.32 0.04 0.00 -0.69 0.00 0.00 178.15 177.81 3gk0 h ALA 183 N 0.50 0.44 -0.03 1.87 0.00 -0.77 0.11 119.26 121.38 3gk0 h ALA 183 Ca 0.00 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3gk0 h ALA 183 Cb 0.53 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gk0 h ALA 183 CO 0.00 -0.36 -0.61 1.79 0.00 0.00 0.00 179.25 180.07 3gk0 h THR 184 N 0.16 1.42 -0.82 0.00 1.35 -1.08 -1.95 112.91 111.99 3gk0 h THR 184 Ca 0.21 -2.06 0.02 0.00 -0.55 0.00 0.00 66.41 64.03 3gk0 h THR 184 Cb 0.29 2.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 3gk0 h THR 184 CO -0.32 0.60 0.54 1.23 -0.25 0.00 0.00 175.52 177.32 3gk0 h GLY 185 N 1.69 1.17 0.94 5.82 0.00 -0.51 -0.82 103.07 111.36 3gk0 h GLY 185 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3gk0 h GLY 185 CO 0.09 0.39 0.09 -2.08 0.00 0.00 0.00 176.54 175.03 3gk0 h VAL 186 N 1.08 1.23 -0.39 4.60 2.07 -0.23 -1.78 116.25 122.83 3gk0 h VAL 186 Ca 0.31 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3gk0 h VAL 186 Cb -0.08 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3gk0 h VAL 186 CO -0.08 0.28 0.22 0.44 0.02 0.00 0.00 177.57 178.45 3gk0 h ASP 187 N 0.52 0.34 -0.72 0.57 3.32 -1.18 -1.59 116.42 117.68 3gk0 h ASP 187 Ca 0.13 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.21 3gk0 h ASP 187 Cb 0.33 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3gk0 h ASP 187 CO 0.00 0.25 0.46 0.00 -1.72 0.00 0.00 179.24 178.23 3gk0 h ALA 188 N 1.18 0.93 -0.26 3.45 0.00 -0.97 0.57 119.26 124.18 3gk0 h ALA 188 Ca 0.16 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 188 Cb 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gk0 h ALA 188 CO -0.08 0.26 -0.29 0.78 0.00 0.00 0.00 179.25 179.91 3gk0 h GLY 189 N 0.91 0.71 1.07 0.00 0.00 -1.14 -3.08 103.07 101.53 3gk0 h GLY 189 Ca 0.28 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3gk0 h GLY 189 CO -0.10 0.68 0.21 -2.22 0.00 0.00 0.00 176.54 175.10 3gk0 h ILE 190 N 0.37 1.26 -0.13 2.60 2.04 -1.12 -0.40 117.51 122.14 3gk0 h ILE 190 Ca 0.04 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 64.98 3gk0 h ILE 190 Cb 0.87 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3gk0 h ILE 190 CO 0.07 0.37 0.21 0.00 0.00 0.00 0.00 178.15 178.80 3gk0 h ALA 191 N 1.11 1.59 -0.12 1.87 0.00 -0.84 -0.68 119.26 122.20 3gk0 h ALA 191 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gk0 h ALA 191 Cb 0.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3gk0 h ALA 191 CO -0.00 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.25 3gk0 n LEU 192 N -3.49 3.12 0.00 0.00 4.77 -0.86 -4.97 117.00 115.57 3gk0 n LEU 192 Ca 0.00 -1.12 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 3gk0 n LEU 192 Cb 0.31 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3gk0 n LEU 192 CO 0.23 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 3gk0 n GLY 193 N 1.39 0.67 3.80 -0.72 0.00 -0.26 -5.06 105.19 105.01 3gk0 n GLY 193 Ca 0.15 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 4.37 0.09 0.99 1.43 -0.22 -4.99 118.68 120.35 3gk0 s LEU 194 Ca 0.00 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 3gk0 s LEU 194 Cb 0.00 -3.71 -0.05 0.00 0.03 0.00 0.00 46.19 42.46 3gk0 s LEU 194 CO 0.00 0.02 0.96 -0.54 0.23 0.00 0.00 176.35 177.02 3gk0 s LYS 195 N -1.91 4.67 -0.13 1.70 3.01 -0.95 -3.96 119.74 122.16 3gk0 s LYS 195 Ca 0.45 1.44 0.03 0.00 -1.01 0.00 0.00 55.97 56.87 3gk0 s LYS 195 Cb -0.18 -3.39 0.01 0.00 -1.01 0.00 0.00 37.83 33.25 3gk0 s LYS 195 CO 0.23 0.16 -0.22 0.54 0.51 0.00 0.00 175.35 176.56 3gk0 s VAL 196 N 0.21 2.09 0.53 3.17 0.11 -1.26 -1.42 120.40 123.83 3gk0 s VAL 196 Ca 0.48 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 3gk0 s VAL 196 Cb -0.23 -1.83 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 3gk0 s VAL 196 CO 0.29 0.55 0.45 0.20 -3.33 0.00 0.00 175.10 173.27 3gk0 s ASN 197 N 0.72 4.76 0.26 3.54 0.01 0.62 -1.29 114.94 123.56 3gk0 s ASN 197 Ca -0.09 -1.11 -0.09 0.00 -0.71 0.00 0.00 52.86 50.86 3gk0 s ASN 197 Cb -0.16 0.23 0.04 0.00 0.41 0.00 0.00 41.25 41.76 3gk0 s ASN 197 CO 0.00 -1.06 0.51 0.00 -1.51 0.00 0.00 177.10 175.04 3gk0 n ALA 198 N -1.79 -1.14 0.00 0.60 0.00 -0.84 -1.09 120.51 116.25 3gk0 n ALA 198 Ca 0.02 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3gk0 n ALA 198 Cb 0.63 0.66 0.00 0.00 0.00 0.00 0.00 19.45 20.74 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 -0.35 0.77 3.69 0.00 0.00 -1.26 -0.65 105.19 107.39 3gk0 n GLY 199 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 2.55 -0.91 1.61 -0.00 -1.26 -1.98 115.22 115.23 3gk0 n HIS 200 Ca 0.00 -0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.09 3gk0 n HIS 200 Cb 0.00 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.17 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 4.16 0.78 3.77 1.57 0.00 -1.26 -3.63 105.19 110.58 3gk0 n GLY 201 Ca 0.18 0.00 -0.39 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 4.33 0.00 0.99 1.43 -0.84 -4.79 118.68 119.80 3gk0 s LEU 202 Ca 0.00 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 3gk0 s LEU 202 Cb 0.00 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.32 3gk0 s LEU 202 CO 0.00 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.21 3gk0 n HIS 203 N 0.52 -0.27 1.19 0.29 1.44 -1.26 -4.52 115.22 112.61 3gk0 n HIS 203 Ca 0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 3gk0 n HIS 203 Cb 0.47 0.00 0.64 0.00 0.12 0.00 0.00 29.99 31.22 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 0.01 -1.40 4.02 -1.26 -1.77 117.16 116.76 3gk0 n TYR 204 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3gk0 n TYR 204 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.02 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 -1.30 0.00 0.15 -0.72 -2.24 -1.26 -4.76 114.28 104.15 3gk0 n THR 205 Ca 0.12 -0.50 0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3gk0 n THR 205 Cb 0.21 1.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.35 0.70 0.13 3.42 0.23 -1.14 -4.68 115.26 113.56 3gk0 n ASN 206 Ca 0.00 -0.85 -0.01 0.00 -0.53 0.00 0.00 54.58 53.19 3gk0 n ASN 206 Cb 0.01 0.53 0.12 0.00 -2.08 0.00 0.00 39.78 38.35 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 0.34 1.35 -0.43 3.53 3.04 -1.64 -3.35 116.25 119.08 3gk0 h VAL 207 Ca 0.00 -2.33 0.02 0.00 -1.01 0.00 0.00 66.70 63.38 3gk0 h VAL 207 Cb 0.11 2.30 -0.03 0.00 -2.01 0.00 0.00 31.29 31.66 3gk0 h VAL 207 CO 0.00 0.64 0.24 1.56 -1.01 0.00 0.00 177.57 179.00 3gk0 h GLN 208 N 0.00 0.47 -0.37 4.17 7.50 -1.84 0.12 115.11 125.16 3gk0 h GLN 208 Ca -0.01 -0.03 -0.04 0.00 0.50 0.00 0.00 58.65 59.07 3gk0 h GLN 208 Cb 1.25 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 28.65 3gk0 h GLN 208 CO 0.08 0.31 0.04 0.00 -1.50 0.00 0.00 178.83 177.77 3gk0 h ALA 209 N 1.20 1.38 -0.00 3.87 0.00 -1.92 0.15 119.26 123.94 3gk0 h ALA 209 Ca 0.17 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3gk0 h ALA 209 Cb 0.04 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.68 3gk0 h ALA 209 CO -0.09 0.44 -0.77 0.82 0.00 0.00 0.00 179.25 179.65 3gk0 h ILE 210 N 0.55 1.37 0.00 0.00 1.08 -1.56 -3.20 117.51 115.75 3gk0 h ILE 210 Ca 0.12 -2.14 -0.01 0.00 -0.39 0.00 0.00 64.86 62.44 3gk0 h ILE 210 Cb 0.29 2.52 -0.00 0.00 -3.07 0.00 0.00 36.82 36.55 3gk0 h ILE 210 CO 0.00 0.64 -0.07 0.00 -0.69 0.00 0.00 178.15 178.03 3gk0 h ALA 211 N 0.35 1.88 0.00 1.87 0.00 -0.36 -1.56 119.26 121.45 3gk0 h ALA 211 Ca -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gk0 h ALA 211 Cb 1.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3gk0 h ALA 211 CO 0.15 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3gk0 n ALA 212 N -2.53 1.55 -2.62 0.00 0.00 0.00 -3.99 120.51 112.93 3gk0 n ALA 212 Ca -0.03 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.00 3gk0 n ALA 212 Cb 0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.64 3.80 0.57 0.00 1.43 -0.59 -4.89 118.68 115.37 3gk0 s LEU 213 Ca 0.05 0.74 0.26 0.00 -1.03 0.00 0.00 54.13 54.15 3gk0 s LEU 213 Cb 0.08 -3.52 1.54 0.00 0.03 0.00 0.00 46.19 44.32 3gk0 s LEU 213 CO 0.28 -1.05 2.07 -0.65 0.23 0.00 0.00 176.35 177.23 3gk0 h PRO 214 N 8.65 0.00 -0.00 1.29 0.11 -1.88 -2.46 132.00 137.70 3gk0 h PRO 214 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3gk0 h PRO 214 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gk0 h PRO 214 CO 1.07 0.00 -0.11 0.41 -0.21 0.00 0.00 178.00 179.17 3gk0 n GLY 215 N -1.49 -1.17 3.67 -0.55 0.00 -1.26 -4.80 105.19 99.60 3gk0 n GLY 215 Ca 0.03 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3gk0 n GLY 215 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gk0 s ILE 216 N -2.66 4.61 -0.16 -0.61 -1.09 -0.93 -4.34 121.20 116.02 3gk0 s ILE 216 Ca 0.24 1.93 -0.27 0.00 -2.23 0.00 0.00 60.65 60.32 3gk0 s ILE 216 Cb 0.20 -4.24 -0.24 0.00 -1.58 0.00 0.00 42.46 36.60 3gk0 s ILE 216 CO 0.51 -0.12 0.61 0.00 -1.23 0.00 0.00 174.94 174.71 3gk0 h ALA 217 N 7.48 0.08 -3.46 9.38 0.00 -1.50 -3.45 119.26 127.79 3gk0 h ALA 217 Ca -0.24 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 53.75 3gk0 h ALA 217 Cb 1.09 0.22 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 3gk0 h ALA 217 CO 0.94 0.21 -0.65 -2.00 0.00 0.00 0.00 179.25 177.75 3gk0 s GLU 218 N -2.26 0.12 -0.22 0.00 2.12 -1.26 -1.15 118.70 116.05 3gk0 s GLU 218 Ca -0.22 -0.04 -0.03 0.00 0.36 0.00 0.00 54.97 55.04 3gk0 s GLU 218 Cb -0.00 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.44 3gk0 s GLU 218 CO 0.66 -0.02 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.80 3gk0 s LEU 219 N -0.25 2.90 -0.48 2.70 1.43 0.23 -1.99 118.68 123.22 3gk0 s LEU 219 Ca -0.03 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 3gk0 s LEU 219 Cb -0.02 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.56 3gk0 s LEU 219 CO 0.00 -0.04 0.40 0.20 0.23 0.00 0.00 176.35 177.15 3gk0 s ASN 220 N 1.45 6.15 -0.03 2.29 0.01 0.18 -1.16 114.94 123.83 3gk0 s ASN 220 Ca 0.05 -1.34 0.06 0.00 -0.71 0.00 0.00 52.86 50.92 3gk0 s ASN 220 Cb -0.14 -2.19 -0.01 0.00 0.41 0.00 0.00 41.25 39.32 3gk0 s ASN 220 CO -0.04 -0.66 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.04 3gk0 s ILE 221 N 1.66 1.74 0.00 0.60 1.01 0.11 -4.00 121.20 122.32 3gk0 s ILE 221 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.78 3gk0 s ILE 221 Cb -0.24 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.76 3gk0 s ILE 221 CO 0.07 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3gk0 n GLY 222 N 2.80 0.43 0.26 6.18 0.00 -1.26 -0.63 105.19 112.97 3gk0 n GLY 222 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 0.41 -0.66 1.61 -0.00 -1.92 -0.78 115.15 113.82 3gk0 h HIS 223 Ca 0.00 0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.49 3gk0 h HIS 223 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 3gk0 h HIS 223 CO 0.00 0.04 0.43 0.00 -0.00 0.00 0.00 177.93 178.41 3gk0 h ALA 224 N 1.51 1.85 -0.06 5.26 0.00 -1.93 0.25 119.26 126.15 3gk0 h ALA 224 Ca 0.38 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3gk0 h ALA 224 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gk0 h ALA 224 CO -0.39 0.03 -0.26 0.82 0.00 0.00 0.00 179.25 179.44 3gk0 h ILE 225 N 0.58 1.44 -0.80 0.00 2.04 -1.48 -1.53 117.51 117.76 3gk0 h ILE 225 Ca 0.29 -1.69 0.02 0.00 1.00 0.00 0.00 64.86 64.48 3gk0 h ILE 225 Cb 0.39 2.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.78 3gk0 h ILE 225 CO -0.09 0.48 0.52 0.58 0.00 0.00 0.00 178.15 179.64 3gk0 h VAL 226 N -0.23 1.18 -0.60 1.67 2.07 -1.10 0.26 116.25 119.50 3gk0 h VAL 226 Ca -0.02 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3gk0 h VAL 226 Cb 0.91 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3gk0 h VAL 226 CO 0.05 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.86 3gk0 h ALA 227 N 1.31 0.91 -0.20 1.67 0.00 -0.50 -2.49 119.26 119.97 3gk0 h ALA 227 Ca 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 227 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3gk0 h ALA 227 CO -0.08 0.65 -0.05 1.25 0.00 0.00 0.00 179.25 181.02 3gk0 h HIS 228 N 0.95 0.43 -0.71 0.00 6.17 -1.12 -3.29 115.15 117.59 3gk0 h HIS 228 Ca 0.18 -0.09 0.12 0.00 0.71 0.00 0.00 60.37 61.28 3gk0 h HIS 228 Cb 0.51 -0.10 -0.05 0.00 2.52 0.00 0.00 27.41 30.29 3gk0 h HIS 228 CO 0.03 0.64 0.47 0.00 0.71 0.00 0.00 177.93 179.78 3gk0 h ALA 229 N 0.73 1.98 -0.91 5.26 0.00 -0.14 -1.82 119.26 124.37 3gk0 h ALA 229 Ca 0.05 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3gk0 h ALA 229 Cb 0.50 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3gk0 h ALA 229 CO 0.02 -0.15 0.58 -0.39 0.00 0.00 0.00 179.25 179.32 3gk0 h VAL 230 N 0.50 0.95 0.00 0.00 -1.51 -1.52 0.43 116.25 115.09 3gk0 h VAL 230 Ca 0.33 -0.30 -0.13 0.00 -1.23 0.00 0.00 66.70 65.38 3gk0 h VAL 230 Cb 0.63 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 29.75 3gk0 h VAL 230 CO -0.11 0.16 -1.33 0.49 -1.23 0.00 0.00 177.57 175.55 3gk0 n PHE 231 N -4.54 0.96 -0.00 5.19 3.72 -0.75 -4.63 117.46 117.41 3gk0 n PHE 231 Ca 0.16 0.31 0.02 0.00 -0.05 0.00 0.00 57.45 57.89 3gk0 n PHE 231 Cb 0.33 -1.05 -0.04 0.00 -0.94 0.00 0.00 39.48 37.78 3gk0 n PHE 231 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3gk0 n VAL 232 N -2.83 0.01 0.00 -4.37 0.31 -0.79 -5.11 118.33 105.56 3gk0 n VAL 232 Ca -0.07 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3gk0 n VAL 232 Cb 0.77 0.34 0.00 0.00 -0.91 0.00 0.00 33.84 34.03 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 2.23 1.10 0.09 2.92 0.00 0.14 -4.64 105.19 107.03 3gk0 n GLY 233 Ca -0.01 -1.50 -0.11 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 0.19 -0.29 1.61 2.91 -1.94 -1.70 115.95 116.73 3gk0 h TRP 234 Ca 0.00 0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.07 3gk0 h TRP 234 Cb 0.00 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.54 3gk0 h TRP 234 CO 0.00 0.13 0.02 0.22 -1.03 0.00 0.00 178.44 177.78 3gk0 h ASP 235 N 0.20 -0.07 -0.62 2.65 3.58 -1.91 -0.80 116.42 119.46 3gk0 h ASP 235 Ca 0.05 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.53 3gk0 h ASP 235 Cb -0.01 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.10 3gk0 h ASP 235 CO -0.01 0.00 0.27 0.78 -2.88 0.00 0.00 179.24 177.40 3gk0 h ASN 236 N 0.12 0.85 -0.23 2.28 2.35 -1.78 -1.46 115.58 117.70 3gk0 h ASN 236 Ca 0.14 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3gk0 h ASN 236 Cb 0.17 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gk0 h ASN 236 CO -0.22 0.75 -0.11 0.00 -1.65 0.00 0.00 177.43 176.20 3gk0 h ALA 237 N 1.38 0.33 0.30 -0.83 0.00 -0.39 -0.83 119.26 119.21 3gk0 h ALA 237 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gk0 h ALA 237 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3gk0 h ALA 237 CO -0.02 0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.55 3gk0 h VAL 238 N 0.21 0.72 -0.69 0.00 2.07 -1.06 -2.57 116.25 114.92 3gk0 h VAL 238 Ca 0.05 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3gk0 h VAL 238 Cb 0.61 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3gk0 h VAL 238 CO 0.03 0.02 0.42 -0.09 0.02 0.00 0.00 177.57 177.98 3gk0 h ARG 239 N -0.45 0.94 -0.42 1.57 2.43 -1.19 -1.68 114.38 115.57 3gk0 h ARG 239 Ca -0.04 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3gk0 h ARG 239 Cb 0.34 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3gk0 h ARG 239 CO 0.07 0.66 0.13 1.49 -1.51 0.00 0.00 179.97 180.80 3gk0 h GLU 240 N 0.94 0.66 -0.15 0.20 4.81 -1.18 -0.46 114.58 119.40 3gk0 h GLU 240 Ca 0.25 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3gk0 h GLU 240 Cb -0.04 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3gk0 h GLU 240 CO -0.05 0.65 0.09 1.98 -0.73 0.00 0.00 179.01 180.96 3gk0 h MET 241 N 0.54 0.21 -0.39 1.92 4.05 -1.05 -1.36 114.93 118.84 3gk0 h MET 241 Ca 0.14 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.61 3gk0 h MET 241 Cb 0.27 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.97 3gk0 h MET 241 CO -0.00 0.19 0.01 -0.22 0.23 0.00 0.00 176.91 177.11 3gk0 h LYS 242 N 0.17 0.11 -0.74 0.39 1.63 -1.21 -1.41 116.57 115.51 3gk0 h LYS 242 Ca 0.05 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3gk0 h LYS 242 Cb 0.03 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3gk0 h LYS 242 CO -0.01 0.07 0.40 0.00 -3.45 0.00 0.00 179.45 176.46 3gk0 h ALA 243 N 1.34 1.31 -0.28 5.00 0.00 -0.82 0.20 119.26 126.01 3gk0 h ALA 243 Ca 0.19 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3gk0 h ALA 243 Cb 0.27 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gk0 h ALA 243 CO -0.31 0.56 -0.20 0.82 0.00 0.00 0.00 179.25 180.12 3gk0 h ILE 244 N 1.03 1.30 -0.29 0.00 2.04 -0.90 -0.51 117.51 120.18 3gk0 h ILE 244 Ca 0.26 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3gk0 h ILE 244 Cb 0.04 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3gk0 h ILE 244 CO -0.04 0.42 0.13 0.24 0.00 0.00 0.00 178.15 178.90 3gk0 h MET 245 N 0.36 0.43 -0.61 2.37 2.86 -0.85 -1.68 114.93 117.81 3gk0 h MET 245 Ca 0.05 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3gk0 h MET 245 Cb 0.74 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 3gk0 h MET 245 CO 0.05 0.43 0.09 0.28 1.06 0.00 0.00 176.91 178.83 3gk0 h VAL 246 N 0.33 1.25 -0.83 -2.22 2.07 -0.95 -1.73 116.25 114.18 3gk0 h VAL 246 Ca 0.10 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 3gk0 h VAL 246 Cb 0.16 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3gk0 h VAL 246 CO -0.01 0.37 0.37 0.00 0.02 0.00 0.00 177.57 178.32 3gk0 h ALA 247 N 1.15 1.07 -0.15 1.67 0.00 -0.88 -2.21 119.26 119.90 3gk0 h ALA 247 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 247 Cb 0.42 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gk0 h ALA 247 CO 0.01 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.83 3gk0 h ALA 248 N 1.20 0.22 0.34 0.00 0.00 -1.06 -2.77 119.26 117.18 3gk0 h ALA 248 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gk0 h ALA 248 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gk0 h ALA 248 CO -0.03 0.04 -0.23 -0.09 0.00 0.00 0.00 179.25 178.94 3gk0 h ARG 249 N -0.01 -0.53 -0.69 0.00 9.65 -1.27 -2.32 114.38 119.22 3gk0 h ARG 249 Ca 0.03 0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3gk0 h ARG 249 Cb 0.58 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 3gk0 h ARG 249 CO 0.03 -0.35 0.37 0.28 2.80 0.00 0.00 179.97 183.09 3gk0 h VAL 250 N -0.55 1.22 -0.32 0.20 2.07 -1.47 -2.53 116.25 114.86 3gk0 h VAL 250 Ca -0.03 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 3gk0 h VAL 250 Cb 0.47 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3gk0 h VAL 250 CO 0.02 0.24 -0.11 0.00 0.02 0.00 0.00 177.57 177.74 3gk0 h ALA 251 N 1.18 1.22 -0.05 1.67 0.00 -1.47 -3.12 119.26 118.69 3gk0 h ALA 251 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gk0 h ALA 251 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3gk0 h ALA 251 CO -0.04 0.51 -0.46 0.00 0.00 0.00 0.00 179.25 179.26 3gk0 h ALA 252 N 1.39 1.13 0.00 0.00 0.00 -0.99 -3.52 119.26 117.28 3gk0 h ALA 252 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gk0 h ALA 252 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gk0 h ALA 252 CO 0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.16