#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk0 h ALA 10 N 0.00 1.82 -2.35 0.00 0.00 -1.99 -3.42 119.26 113.32 3gk0 h ALA 10 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3gk0 h ALA 10 Cb 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.49 3gk0 h ALA 10 CO 0.00 0.16 -0.05 -1.50 0.00 0.00 0.00 179.25 177.85 3gk0 s ILE 11 N -5.21 0.01 0.10 0.00 2.07 -1.26 -5.00 121.20 111.89 3gk0 s ILE 11 Ca -0.06 -0.05 -0.11 0.00 -1.41 0.00 0.00 60.65 59.01 3gk0 s ILE 11 Cb 0.17 -0.79 -0.06 0.00 0.13 0.00 0.00 42.46 41.91 3gk0 s ILE 11 CO 0.70 -0.03 0.44 -1.81 -1.91 0.00 0.00 174.94 172.34 3gk0 s ASP 12 N -0.09 6.69 -0.21 4.50 1.01 -0.96 -4.91 116.67 122.71 3gk0 s ASP 12 Ca -0.03 0.87 -0.00 0.00 0.71 0.00 0.00 52.55 54.10 3gk0 s ASP 12 Cb -0.03 -2.21 0.02 0.00 1.01 0.00 0.00 42.92 41.70 3gk0 s ASP 12 CO 0.02 0.15 -0.13 -0.22 0.21 0.00 0.00 175.17 175.21 3gk0 s LEU 13 N -1.92 2.64 -0.16 1.23 2.96 -1.26 -1.59 118.68 120.58 3gk0 s LEU 13 Ca 0.34 -0.71 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 3gk0 s LEU 13 Cb -0.14 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3gk0 s LEU 13 CO 0.18 -0.05 0.22 -0.83 -1.32 0.00 0.00 176.35 174.55 3gk0 s GLY 14 N 1.32 2.15 -0.24 7.98 0.00 -0.29 -0.09 107.32 118.15 3gk0 s GLY 14 Ca 0.03 -0.55 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 3gk0 s GLY 14 CO -0.08 0.21 0.06 0.14 0.00 0.00 0.00 173.10 173.42 3gk0 s VAL 15 N 0.16 4.21 -0.21 1.40 1.01 -0.01 -0.78 120.40 126.18 3gk0 s VAL 15 Ca 0.13 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 3gk0 s VAL 15 Cb -0.12 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 3gk0 s VAL 15 CO 0.02 0.35 0.59 0.21 0.00 0.00 0.00 175.10 176.28 3gk0 s ASN 16 N 1.56 6.63 0.00 3.32 3.84 0.13 -1.56 114.94 128.86 3gk0 s ASN 16 Ca 0.06 0.76 0.21 0.00 0.21 0.00 0.00 52.86 54.10 3gk0 s ASN 16 Cb -0.15 -2.33 0.53 0.00 -0.55 0.00 0.00 41.25 38.75 3gk0 s ASN 16 CO 0.03 -0.26 1.45 2.30 -2.79 0.00 0.00 177.10 177.83 3gk0 n ILE 17 N 4.72 0.62 -0.22 -5.21 -5.35 -0.73 -4.40 119.36 108.79 3gk0 n ILE 17 Ca -0.02 -0.73 0.02 0.00 -0.27 0.00 0.00 62.75 61.75 3gk0 n ILE 17 Cb 0.50 0.62 0.13 0.00 -1.74 0.00 0.00 39.64 39.16 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 3.75 0.07 0.64 7.28 3.32 -1.93 -2.23 116.42 127.33 3gk0 h ASP 18 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3gk0 h ASP 18 Cb 0.84 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3gk0 h ASP 18 CO 0.00 0.03 -0.08 1.41 -1.72 0.00 0.00 179.24 178.88 3gk0 n HIS 19 N -5.10 0.00 -0.01 4.55 8.25 -1.26 -1.40 115.22 120.25 3gk0 n HIS 19 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 3gk0 n HIS 19 Cb 0.35 -0.32 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 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 0.15 1.23 -0.61 1.59 2.07 -1.74 -2.96 116.25 115.98 3gk0 h VAL 20 Ca 0.00 -0.71 0.10 0.00 0.82 0.00 0.00 66.70 66.91 3gk0 h VAL 20 Cb 0.39 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3gk0 h VAL 20 CO 0.00 0.20 0.41 0.00 0.02 0.00 0.00 177.57 178.20 3gk0 h ALA 21 N 0.74 2.02 -0.51 1.67 0.00 -1.23 -1.65 119.26 120.30 3gk0 h ALA 21 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 21 Cb 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3gk0 h ALA 21 CO 0.00 -0.16 0.33 1.15 0.00 0.00 0.00 179.25 180.58 3gk0 h THR 22 N 0.41 1.12 -0.12 0.00 2.02 -1.30 0.59 112.91 115.64 3gk0 h THR 22 Ca 0.28 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3gk0 h THR 22 Cb 0.56 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3gk0 h THR 22 CO -0.08 0.12 0.05 0.25 0.37 0.00 0.00 175.52 176.24 3gk0 h LEU 23 N 0.68 0.17 -0.30 2.58 5.85 -1.21 -2.79 115.31 120.29 3gk0 h LEU 23 Ca 0.19 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gk0 h LEU 23 Cb -0.07 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3gk0 h LEU 23 CO -0.05 0.27 0.15 -0.09 -0.34 0.00 0.00 178.44 178.38 3gk0 h ARG 24 N 0.05 0.31 0.00 1.25 2.43 -1.11 -2.73 114.38 114.58 3gk0 h ARG 24 Ca 0.04 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3gk0 h ARG 24 Cb 0.15 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3gk0 h ARG 24 CO -0.00 0.20 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.73 3gk0 h ASN 25 N 0.32 0.00 0.76 -3.80 4.21 -0.86 -1.68 115.58 114.52 3gk0 h ASN 25 Ca 0.12 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 3gk0 h ASN 25 Cb 0.04 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.23 3gk0 h ASN 25 CO -0.08 0.02 -0.05 0.00 -1.29 0.00 0.00 177.43 176.02 3gk0 h ALA 26 N 1.98 1.04 0.00 -0.83 0.00 -1.19 -3.30 119.26 116.96 3gk0 h ALA 26 Ca -0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 3gk0 h ALA 26 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3gk0 h ALA 26 CO 0.00 0.07 -1.66 -2.13 0.00 0.00 0.00 179.25 175.53 3gk0 n ARG 27 N -3.21 1.27 -0.07 0.00 3.00 -0.86 -5.05 116.66 111.73 3gk0 n ARG 27 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3gk0 n ARG 27 Cb 0.28 -1.24 0.00 0.00 0.00 0.00 0.00 32.46 31.50 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 2.71 0.55 3.40 5.14 0.00 -0.69 -5.08 105.19 111.22 3gk0 n GLY 28 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 1.17 2.61 -2.24 -1.26 -4.97 114.28 107.58 3gk0 n THR 29 Ca 0.00 -0.89 0.12 0.00 -2.27 0.00 0.00 64.05 61.02 3gk0 n THR 29 Cb 0.00 -1.54 0.63 0.00 -2.10 0.00 0.00 70.33 67.32 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 -3.72 2.27 -2.43 6.98 0.00 -1.26 -4.79 120.51 117.56 3gk0 n ALA 30 Ca -0.19 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 3gk0 n ALA 30 Cb 0.51 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.62 2.54 0.43 0.00 1.51 -1.26 -3.25 117.35 114.70 3gk0 s TYR 31 Ca 0.23 -0.27 -0.24 0.00 -1.01 0.00 0.00 57.07 55.77 3gk0 s TYR 31 Cb 0.17 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.43 3gk0 s TYR 31 CO 0.40 0.17 1.19 -1.25 -1.11 0.00 0.00 175.55 174.95 3gk0 s PRO 32 N -1.07 3.91 -0.36 -1.71 0.04 -1.26 -4.28 135.00 130.27 3gk0 s PRO 32 Ca 0.13 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 3gk0 s PRO 32 Cb -0.10 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3gk0 s PRO 32 CO 0.03 -0.45 0.59 0.34 0.04 0.00 0.00 177.00 177.55 3gk0 s ASP 33 N -1.17 6.38 0.56 6.66 2.15 -1.20 -4.50 116.67 125.55 3gk0 s ASP 33 Ca 0.60 0.05 0.24 0.00 0.43 0.00 0.00 52.55 53.87 3gk0 s ASP 33 Cb -0.31 -2.30 1.55 0.00 -0.30 0.00 0.00 42.92 41.55 3gk0 s ASP 33 CO 0.39 -0.56 2.16 -0.65 -0.17 0.00 0.00 175.17 176.33 3gk0 h PRO 34 N 8.49 0.00 -0.33 4.34 0.11 -1.90 -1.51 132.00 141.20 3gk0 h PRO 34 Ca -0.27 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.70 3gk0 h PRO 34 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gk0 h PRO 34 CO 0.82 0.00 -0.36 0.28 -0.21 0.00 0.00 178.00 178.53 3gk0 h VAL 35 N 0.00 1.29 -0.31 3.15 2.07 -1.92 -1.66 116.25 118.86 3gk0 h VAL 35 Ca 0.04 -1.53 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 3gk0 h VAL 35 Cb 0.20 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3gk0 h VAL 35 CO -0.00 0.50 0.02 -0.09 0.02 0.00 0.00 177.57 178.02 3gk0 h ARG 36 N 0.59 0.54 -0.88 1.57 2.43 -1.76 -2.38 114.38 114.49 3gk0 h ARG 36 Ca 0.05 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3gk0 h ARG 36 Cb 0.94 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.37 3gk0 h ARG 36 CO 0.09 0.66 0.53 0.00 -1.51 0.00 0.00 179.97 179.74 3gk0 h ALA 37 N 0.86 1.25 0.45 2.80 0.00 -1.24 -0.95 119.26 122.43 3gk0 h ALA 37 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gk0 h ALA 37 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gk0 h ALA 37 CO 0.01 0.21 -0.22 0.00 0.00 0.00 0.00 179.25 179.25 3gk0 h ALA 38 N 1.45 -0.61 -0.25 0.00 0.00 -1.17 0.24 119.26 118.93 3gk0 h ALA 38 Ca 0.41 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3gk0 h ALA 38 Cb 0.31 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3gk0 h ALA 38 CO -0.22 -0.76 -0.10 -0.07 0.00 0.00 0.00 179.25 178.11 3gk0 h LEU 39 N -0.77 0.38 -0.37 0.00 3.38 -1.26 -2.11 115.31 114.57 3gk0 h LEU 39 Ca -0.06 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3gk0 h LEU 39 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3gk0 h LEU 39 CO 0.10 0.52 -0.44 0.00 0.09 0.00 0.00 178.44 178.71 3gk0 h ALA 40 N 1.53 0.79 -0.21 1.53 0.00 -1.12 -2.57 119.26 119.21 3gk0 h ALA 40 Ca 0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3gk0 h ALA 40 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gk0 h ALA 40 CO 0.02 0.55 -0.47 0.00 0.00 0.00 0.00 179.25 179.35 3gk0 h ALA 41 N 1.56 0.79 -0.69 0.00 0.00 -0.29 -1.72 119.26 118.90 3gk0 h ALA 41 Ca -0.00 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 3gk0 h ALA 41 Cb 1.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3gk0 h ALA 41 CO 0.06 0.66 0.13 0.93 0.00 0.00 0.00 179.25 181.04 3gk0 h GLU 42 N 0.44 1.13 0.00 0.00 5.08 -1.32 -0.76 114.58 119.15 3gk0 h GLU 42 Ca 0.03 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3gk0 h GLU 42 Cb 0.99 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3gk0 h GLU 42 CO 0.09 1.02 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.58 3gk0 h ASP 43 N 1.06 0.00 -0.18 1.42 3.32 -1.26 -2.55 116.42 118.23 3gk0 h ASP 43 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3gk0 h ASP 43 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3gk0 h ASP 43 CO 0.01 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 3gk0 n ALA 44 N -2.50 2.51 0.00 3.45 0.00 -0.66 -4.92 120.51 118.39 3gk0 n ALA 44 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3gk0 n ALA 44 Cb 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.14 1.04 3.77 0.00 0.00 -0.96 -3.93 105.19 106.24 3gk0 n GLY 45 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 3.37 -0.34 4.61 0.00 -0.34 -4.83 121.76 122.23 3gk0 s ALA 46 Ca 0.00 1.27 0.22 0.00 0.00 0.00 0.00 51.96 53.45 3gk0 s ALA 46 Cb 0.00 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 3gk0 s ALA 46 CO 0.00 -0.78 0.85 -0.25 0.00 0.00 0.00 175.76 175.58 3gk0 n ASP 47 N 0.38 0.49 -3.55 0.00 8.00 0.87 -4.53 116.55 118.21 3gk0 n ASP 47 Ca 0.02 -0.04 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 3gk0 n ASP 47 Cb 0.43 1.11 -0.05 0.00 -0.02 0.00 0.00 41.12 42.58 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 -3.34 -1.38 -0.14 2.24 0.00 -1.02 -3.74 121.76 114.39 3gk0 s ALA 48 Ca -0.01 0.58 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 3gk0 s ALA 48 Cb 0.13 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 3gk0 s ALA 48 CO 0.84 -0.55 -0.05 0.42 0.00 0.00 0.00 175.76 176.41 3gk0 s ILE 49 N -2.68 3.75 -0.08 0.00 -1.09 -0.60 -0.83 121.20 119.66 3gk0 s ILE 49 Ca -0.04 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 3gk0 s ILE 49 Cb -0.00 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3gk0 s ILE 49 CO -0.04 0.51 -0.14 -0.89 -1.23 0.00 0.00 174.94 173.16 3gk0 s THR 50 N 0.18 3.05 -0.07 2.92 2.01 -0.60 -0.13 115.64 123.00 3gk0 s THR 50 Ca -0.03 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.14 3gk0 s THR 50 Cb -0.14 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.17 3gk0 s THR 50 CO 0.03 0.57 0.32 -1.48 -0.69 0.00 0.00 174.62 173.37 3gk0 s LEU 51 N -0.32 0.79 -0.41 4.42 2.34 -0.68 -1.77 118.68 123.05 3gk0 s LEU 51 Ca 0.03 0.38 -0.04 0.00 0.06 0.00 0.00 54.13 54.56 3gk0 s LEU 51 Cb -0.13 1.21 0.11 0.00 -0.56 0.00 0.00 46.19 46.82 3gk0 s LEU 51 CO 0.03 -0.29 0.21 -2.28 -1.06 0.00 0.00 176.35 172.96 3gk0 s HIS 52 N -0.59 3.54 -0.82 3.48 5.65 -1.26 -0.83 115.29 124.46 3gk0 s HIS 52 Ca -0.07 -2.29 -0.25 0.00 0.25 0.00 0.00 55.06 52.69 3gk0 s HIS 52 Cb -0.04 -3.17 0.02 0.00 -1.18 0.00 0.00 32.58 28.21 3gk0 s HIS 52 CO 0.02 -0.96 1.48 -1.17 -0.65 0.00 0.00 174.74 173.47 3gk0 s LEU 53 N 1.18 3.28 0.71 8.88 0.20 -1.12 -4.39 118.68 127.43 3gk0 s LEU 53 Ca 0.07 -0.65 -0.11 0.00 0.69 0.00 0.00 54.13 54.13 3gk0 s LEU 53 Cb -0.23 -2.56 0.02 0.00 -0.43 0.00 0.00 46.19 42.99 3gk0 s LEU 53 CO -0.03 -1.91 1.07 -0.13 -0.29 0.00 0.00 176.35 175.05 3gk0 s ARG 54 N 5.84 2.76 0.18 1.98 0.52 -1.26 -4.70 118.95 124.25 3gk0 s ARG 54 Ca 0.47 1.02 -0.06 0.00 -0.52 0.00 0.00 55.73 56.64 3gk0 s ARG 54 Cb -0.06 -1.96 0.07 0.00 0.52 0.00 0.00 34.95 33.51 3gk0 s ARG 54 CO 0.07 -1.25 1.50 1.49 0.02 0.00 0.00 175.30 177.13 3gk0 h GLU 55 N -0.81 0.68 0.00 3.54 4.81 -1.97 -2.65 114.58 118.18 3gk0 h GLU 55 Ca -0.44 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.39 3gk0 h GLU 55 Cb 1.22 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3gk0 h GLU 55 CO 0.55 1.02 0.00 -0.40 -0.73 0.00 0.00 179.01 179.45 3gk0 n ASP 56 N -3.99 0.00 -4.00 1.04 5.68 -1.26 -4.93 116.55 109.08 3gk0 n ASP 56 Ca -0.03 -0.92 -0.30 0.00 -0.50 0.00 0.00 54.79 53.04 3gk0 n ASP 56 Cb 0.59 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 -1.01 -4.26 -0.12 0.11 3.00 -1.00 -4.87 116.66 108.51 3gk0 n ARG 57 Ca 0.22 0.49 -0.07 0.00 -0.01 0.00 0.00 57.85 58.48 3gk0 n ARG 57 Cb 0.11 -5.14 0.01 0.00 0.00 0.00 0.00 32.46 27.44 3gk0 n ARG 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 3gk0 h ARG 58 N -1.83 0.44 0.00 5.56 2.43 -1.92 -3.43 114.38 115.63 3gk0 h ARG 58 Ca -0.60 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3gk0 h ARG 58 Cb 1.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3gk0 h ARG 58 CO 0.69 0.29 0.00 -2.39 -1.51 0.00 0.00 179.97 177.05 3gk0 n HIS 59 N -4.88 0.00 -1.96 2.20 1.44 -1.26 -4.90 115.22 105.86 3gk0 n HIS 59 Ca 0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.31 3gk0 n HIS 59 Cb 0.06 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.15 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 0.00 2.51 0.31 0.61 -1.09 -1.26 -4.81 121.20 117.47 3gk0 s ILE 60 Ca 0.00 0.44 0.10 0.00 -2.23 0.00 0.00 60.65 58.96 3gk0 s ILE 60 Cb 0.00 -3.28 -0.05 0.00 -1.58 0.00 0.00 42.46 37.55 3gk0 s ILE 60 CO 0.00 0.08 -0.04 0.68 -1.23 0.00 0.00 174.94 174.42 3gk0 s VAL 61 N -0.19 2.75 0.29 2.92 -7.23 -1.26 -4.47 120.40 113.21 3gk0 s VAL 61 Ca 0.59 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 3gk0 s VAL 61 Cb -0.43 -2.69 0.29 0.00 0.56 0.00 0.00 36.38 34.11 3gk0 s VAL 61 CO 0.46 -0.28 1.81 0.44 -0.31 0.00 0.00 175.10 177.22 3gk0 h ASP 62 N 1.93 0.86 -0.45 4.85 5.19 -1.96 0.03 116.42 126.88 3gk0 h ASP 62 Ca -0.42 0.07 -0.03 0.00 -0.62 0.00 0.00 57.03 56.03 3gk0 h ASP 62 Cb 1.25 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 3gk0 h ASP 62 CO 0.64 0.39 0.20 0.00 -3.12 0.00 0.00 179.24 177.35 3gk0 h ALA 63 N 1.59 1.42 -0.39 3.45 0.00 -1.99 -2.09 119.26 121.24 3gk0 h ALA 63 Ca 0.54 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.37 3gk0 h ALA 63 Cb 0.69 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3gk0 h ALA 63 CO -0.32 0.44 0.11 -0.44 0.00 0.00 0.00 179.25 179.04 3gk0 h ASP 64 N 0.70 0.09 -0.03 0.00 3.45 -1.39 -1.17 116.42 118.08 3gk0 h ASP 64 Ca 0.17 0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.68 3gk0 h ASP 64 Cb 0.14 0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.96 3gk0 h ASP 64 CO -0.02 0.09 0.01 0.58 -1.57 0.00 0.00 179.24 178.33 3gk0 h VAL 65 N 0.26 1.19 -0.52 -1.35 2.07 -1.37 -1.52 116.25 115.01 3gk0 h VAL 65 Ca 0.18 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 3gk0 h VAL 65 Cb 0.19 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3gk0 h VAL 65 CO -0.21 0.15 -0.02 0.03 0.02 0.00 0.00 177.57 177.54 3gk0 h ARG 66 N -0.19 0.90 -0.24 1.57 3.08 -1.34 0.17 114.38 118.34 3gk0 h ARG 66 Ca 0.01 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 3gk0 h ARG 66 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3gk0 h ARG 66 CO 0.00 0.91 0.09 1.15 -1.07 0.00 0.00 179.97 181.05 3gk0 h THR 67 N 0.83 1.17 -0.19 2.04 2.02 -1.20 -3.24 112.91 114.34 3gk0 h THR 67 Ca 0.15 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.67 3gk0 h THR 67 Cb 0.53 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3gk0 h THR 67 CO 0.03 0.17 -0.46 0.25 0.37 0.00 0.00 175.52 175.88 3gk0 h LEU 68 N 0.23 0.51 -0.25 2.58 5.85 -0.90 -3.36 115.31 119.97 3gk0 h LEU 68 Ca 0.08 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.62 3gk0 h LEU 68 Cb 0.19 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 3gk0 h LEU 68 CO -0.01 0.89 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.79 3gk0 h ARG 69 N 0.38 -0.07 0.00 1.25 9.65 -0.69 -0.57 114.38 124.33 3gk0 h ARG 69 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3gk0 h ARG 69 Cb 0.95 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.55 3gk0 h ARG 69 CO 0.08 -0.05 0.00 -0.35 2.80 0.00 0.00 179.97 182.46 3gk0 n PRO 70 N -5.27 0.05 -0.09 0.20 -0.05 -1.26 -3.82 135.00 124.75 3gk0 n PRO 70 Ca -0.01 0.04 -0.13 0.00 -0.05 0.00 0.00 63.50 63.35 3gk0 n PRO 70 Cb 0.19 -1.50 -0.14 0.00 -0.05 0.00 0.00 33.50 32.00 3gk0 n PRO 70 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3gk0 n ARG 71 N -1.47 0.68 -1.27 0.54 1.74 -0.70 -4.96 116.66 111.21 3gk0 n ARG 71 Ca 0.07 0.10 -0.50 0.00 -0.77 0.00 0.00 57.85 56.75 3gk0 n ARG 71 Cb 0.30 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 3gk0 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gk0 n VAL 72 N -2.99 0.00 0.52 1.55 0.31 -0.31 -4.89 118.33 112.52 3gk0 n VAL 72 Ca -0.35 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.05 3gk0 n VAL 72 Cb 1.09 -0.03 -0.09 0.00 -0.91 0.00 0.00 33.84 33.90 3gk0 n VAL 72 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3gk0 n LYS 73 N 1.40 2.02 0.00 5.55 0.00 -1.26 -4.89 118.16 120.98 3gk0 n LYS 73 Ca 0.17 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3gk0 n LYS 73 Cb 0.06 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 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 -1.46 0.00 -4.10 0.58 -2.24 -1.26 -5.14 114.28 100.66 3gk0 n THR 74 Ca 0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.65 3gk0 n THR 74 Cb 0.25 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.34 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 1.19 0.41 -0.16 -0.78 0.52 -1.25 -5.05 118.95 113.83 3gk0 s ARG 75 Ca 0.00 -0.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.77 3gk0 s ARG 75 Cb 0.00 -0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 3gk0 s ARG 75 CO 0.00 0.08 0.21 1.41 0.02 0.00 0.00 175.30 177.02 3gk0 s MET 76 N -0.53 4.10 -0.33 3.54 -2.45 -1.26 -1.56 119.30 120.81 3gk0 s MET 76 Ca -0.02 -0.05 -0.00 0.00 -1.25 0.00 0.00 55.69 54.36 3gk0 s MET 76 Cb -0.04 -3.38 0.08 0.00 1.25 0.00 0.00 34.83 32.73 3gk0 s MET 76 CO -0.00 0.36 0.05 1.21 1.05 0.00 0.00 175.02 177.69 3gk0 s ASN 77 N 0.14 4.90 -0.27 1.11 2.47 0.82 -1.47 114.94 122.64 3gk0 s ASN 77 Ca 0.13 -1.66 -0.18 0.00 0.42 0.00 0.00 52.86 51.58 3gk0 s ASN 77 Cb -0.12 -1.70 -0.03 0.00 -1.45 0.00 0.00 41.25 37.95 3gk0 s ASN 77 CO 0.02 -0.35 0.50 -0.22 -3.72 0.00 0.00 177.10 173.33 3gk0 s LEU 78 N 1.13 4.08 0.02 3.21 0.20 -0.12 -1.68 118.68 125.53 3gk0 s LEU 78 Ca 0.01 0.43 -0.24 0.00 0.69 0.00 0.00 54.13 55.02 3gk0 s LEU 78 Cb -0.20 -2.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.88 3gk0 s LEU 78 CO -0.04 -0.30 0.73 -1.61 -0.29 0.00 0.00 176.35 174.84 3gk0 s GLU 79 N 2.30 4.45 0.21 1.98 2.02 -0.01 -0.74 118.70 128.90 3gk0 s GLU 79 Ca 0.20 0.98 -0.18 0.00 0.02 0.00 0.00 54.97 55.99 3gk0 s GLU 79 Cb -0.16 -3.37 0.03 0.00 0.10 0.00 0.00 34.13 30.74 3gk0 s GLU 79 CO 0.10 0.28 0.56 0.00 0.02 0.00 0.00 175.26 176.21 3gk0 s ALA 81 N -3.87 3.01 -1.16 0.00 0.00 -1.26 -1.74 121.76 116.73 3gk0 s ALA 81 Ca 0.09 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.60 3gk0 s ALA 81 Cb -0.02 -2.96 0.24 0.00 0.00 0.00 0.00 23.12 20.39 3gk0 s ALA 81 CO -0.02 -0.98 1.41 0.28 0.00 0.00 0.00 175.76 176.44 3gk0 n VAL 82 N -2.87 4.63 -4.08 0.00 0.31 -1.26 -4.33 118.33 110.73 3gk0 n VAL 82 Ca 0.06 -5.19 -0.11 0.00 -0.01 0.00 0.00 64.34 59.10 3gk0 n VAL 82 Cb 0.57 -2.41 -0.11 0.00 -0.91 0.00 0.00 33.84 30.98 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 -0.63 0.44 0.19 2.52 -4.23 -1.26 -5.05 115.64 107.61 3gk0 s THR 83 Ca 0.35 -1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 59.32 3gk0 s THR 83 Cb -0.02 -0.98 0.15 0.00 1.34 0.00 0.00 72.50 72.99 3gk0 s THR 83 CO -0.00 -0.64 1.66 -0.65 -0.54 0.00 0.00 174.62 174.44 3gk0 h PRO 84 N 3.89 0.02 -0.15 3.99 0.11 -1.98 -1.64 132.00 136.24 3gk0 h PRO 84 Ca -0.35 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.81 3gk0 h PRO 84 Cb 1.18 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3gk0 h PRO 84 CO 0.51 0.02 -0.19 1.49 -0.21 0.00 0.00 178.00 179.62 3gk0 h GLU 85 N 0.03 -0.22 -0.07 1.05 4.81 -1.98 -0.44 114.58 117.76 3gk0 h GLU 85 Ca 0.24 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 59.24 3gk0 h GLU 85 Cb 0.37 0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.82 3gk0 h GLU 85 CO -0.49 -0.15 -0.91 0.52 -0.73 0.00 0.00 179.01 177.25 3gk0 h MET 86 N -0.23 0.74 -0.55 1.92 2.86 -1.83 -2.43 114.93 115.42 3gk0 h MET 86 Ca 0.11 -0.70 -0.01 0.00 -2.06 0.00 0.00 59.70 57.03 3gk0 h MET 86 Cb 0.39 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3gk0 h MET 86 CO -0.29 1.29 0.28 -0.07 1.06 0.00 0.00 176.91 179.19 3gk0 h LEU 87 N 0.44 0.68 -0.41 1.22 3.38 -1.21 -1.13 115.31 118.28 3gk0 h LEU 87 Ca -0.09 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 3gk0 h LEU 87 Cb 1.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3gk0 h LEU 87 CO 0.18 0.56 -0.64 0.44 0.09 0.00 0.00 178.44 179.08 3gk0 h ASP 88 N 0.76 0.66 -0.43 -0.43 3.32 -1.00 -1.92 116.42 117.38 3gk0 h ASP 88 Ca 0.19 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 3gk0 h ASP 88 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3gk0 h ASP 88 CO -0.03 1.13 0.26 0.40 -1.72 0.00 0.00 179.24 179.28 3gk0 h ILE 89 N 0.42 1.14 -0.71 0.35 2.04 -1.08 -1.75 117.51 117.92 3gk0 h ILE 89 Ca -0.01 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3gk0 h ILE 89 Cb 1.21 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.81 3gk0 h ILE 89 CO 0.12 0.14 0.45 0.00 0.00 0.00 0.00 178.15 178.85 3gk0 h ALA 90 N 1.12 0.92 -0.03 1.87 0.00 -1.07 -0.39 119.26 121.68 3gk0 h ALA 90 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 90 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gk0 h ALA 90 CO -0.03 0.23 -0.41 0.00 0.00 0.00 0.00 179.25 179.04 3gk0 h GLU 92 N 0.06 0.51 0.00 0.00 4.81 -0.68 -3.30 114.58 115.99 3gk0 h GLU 92 Ca 0.00 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 58.86 3gk0 h GLU 92 Cb 0.75 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3gk0 h GLU 92 CO 0.06 0.67 -0.89 0.82 -0.73 0.00 0.00 179.01 178.93 3gk0 h ILE 93 N 0.30 1.47 -5.84 2.32 2.04 -0.74 -3.48 117.51 113.58 3gk0 h ILE 93 Ca 0.08 -2.57 -0.35 0.00 1.00 0.00 0.00 64.86 63.01 3gk0 h ILE 93 Cb 0.44 2.45 0.13 0.00 -0.74 0.00 0.00 36.82 39.10 3gk0 h ILE 93 CO 0.02 0.75 -0.85 0.54 0.00 0.00 0.00 178.15 178.61 3gk0 n ARG 94 N -3.68 -3.83 -1.20 2.37 1.74 0.68 -4.96 116.66 107.77 3gk0 n ARG 94 Ca -0.04 0.71 -0.33 0.00 -0.77 0.00 0.00 57.85 57.42 3gk0 n ARG 94 Cb 0.81 -5.32 0.11 0.00 -1.02 0.00 0.00 32.46 27.05 3gk0 n ARG 94 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gk0 s PRO 95 N -5.40 1.85 0.26 5.56 0.04 -1.26 -4.89 135.00 131.16 3gk0 s PRO 95 Ca 0.22 1.58 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 3gk0 s PRO 95 Cb -0.05 -1.82 0.31 0.00 0.04 0.00 0.00 34.50 32.98 3gk0 s PRO 95 CO 0.78 -2.02 1.89 0.45 0.04 0.00 0.00 177.00 178.15 3gk0 h HIS 96 N -0.90 1.14 -3.96 0.56 3.86 -1.87 -3.42 115.15 110.57 3gk0 h HIS 96 Ca -0.45 -0.01 -0.35 0.00 -1.16 0.00 0.00 60.37 58.39 3gk0 h HIS 96 Cb 1.27 -0.37 -0.22 0.00 1.06 0.00 0.00 27.41 29.15 3gk0 h HIS 96 CO 0.50 0.78 -0.76 -0.51 0.86 0.00 0.00 177.93 178.80 3gk0 s ASP 97 N -6.28 1.26 0.01 2.45 1.01 -0.54 -1.23 116.67 113.34 3gk0 s ASP 97 Ca -0.12 -0.54 0.01 0.00 0.71 0.00 0.00 52.55 52.61 3gk0 s ASP 97 Cb 0.17 -0.02 -0.01 0.00 1.01 0.00 0.00 42.92 44.07 3gk0 s ASP 97 CO 0.81 -0.11 -0.03 0.00 0.21 0.00 0.00 175.17 176.06 3gk0 s ALA 98 N -1.21 0.20 -0.14 5.23 0.00 -0.58 -0.94 121.76 124.32 3gk0 s ALA 98 Ca -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.71 3gk0 s ALA 98 Cb -0.09 -0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.03 3gk0 s ALA 98 CO 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 175.76 175.57 3gk0 s LEU 100 N 0.87 4.17 0.12 0.00 1.43 0.42 -1.76 118.68 123.94 3gk0 s LEU 100 Ca -0.06 0.92 0.05 0.00 -1.03 0.00 0.00 54.13 54.01 3gk0 s LEU 100 Cb -0.15 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 3gk0 s LEU 100 CO -0.02 -0.26 -0.13 0.68 0.23 0.00 0.00 176.35 176.85 3gk0 s VAL 101 N 1.75 1.21 0.32 -1.59 -7.23 -0.71 -2.13 120.40 112.03 3gk0 s VAL 101 Ca 0.31 -1.73 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 3gk0 s VAL 101 Cb -0.16 -1.51 -0.10 0.00 0.56 0.00 0.00 36.38 35.17 3gk0 s VAL 101 CO 0.11 -0.48 0.89 -2.16 -0.31 0.00 0.00 175.10 173.16 3gk0 s PRO 102 N -2.80 4.44 0.00 4.82 0.04 -1.26 -4.06 135.00 136.19 3gk0 s PRO 102 Ca 0.09 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.31 3gk0 s PRO 102 Cb -0.04 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3gk0 s PRO 102 CO 0.02 0.25 0.00 0.39 0.04 0.00 0.00 177.00 177.70 3gk0 n GLU 103 N 0.37 3.85 -4.71 4.56 1.02 -1.26 -5.00 120.64 119.47 3gk0 n GLU 103 Ca 0.02 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.86 3gk0 n GLU 103 Cb 0.51 -0.60 -0.14 0.00 -0.02 0.00 0.00 31.44 31.19 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 -1.12 1.67 0.60 3.49 1.02 -1.26 -5.02 119.74 119.12 3gk0 s LYS 104 Ca 0.00 -1.19 0.30 0.00 0.02 0.00 0.00 55.97 55.10 3gk0 s LYS 104 Cb 0.00 -1.96 1.78 0.00 -0.52 0.00 0.00 37.83 37.13 3gk0 s LYS 104 CO 0.00 0.49 2.19 0.07 -0.92 0.00 0.00 175.35 177.18 3gk0 h ARG 105 N 4.45 0.00 0.00 1.68 0.11 -1.97 0.11 114.38 118.75 3gk0 h ARG 105 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 3gk0 h ARG 105 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3gk0 h ARG 105 CO 0.42 0.00 0.00 0.66 0.10 0.00 0.00 179.97 181.15 3gk0 h SER 106 N 0.00 0.00 0.32 0.08 4.64 -2.01 -3.03 113.55 113.55 3gk0 h SER 106 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3gk0 h SER 106 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3gk0 h SER 106 CO -0.00 0.00 -0.82 -0.62 -0.87 0.00 0.00 176.83 174.52 3gk0 n GLU 107 N -3.05 0.09 -4.35 4.77 1.02 0.36 -4.97 120.64 114.51 3gk0 n GLU 107 Ca 0.00 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 3gk0 n GLU 107 Cb 0.28 -1.53 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 3gk0 n GLU 107 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 3gk0 s LEU 108 N -3.28 2.60 0.91 -4.62 0.05 -1.15 -0.60 118.68 112.58 3gk0 s LEU 108 Ca 0.08 -0.67 -0.13 0.00 0.05 0.00 0.00 54.13 53.46 3gk0 s LEU 108 Cb 0.16 -1.41 0.14 0.00 -2.05 0.00 0.00 46.19 43.03 3gk0 s LEU 108 CO 0.78 0.15 1.17 0.42 -0.55 0.00 0.00 176.35 178.33 3gk0 s THR 109 N -1.32 1.98 0.40 5.48 -4.23 -0.90 -4.80 115.64 112.25 3gk0 s THR 109 Ca 0.19 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.81 3gk0 s THR 109 Cb -0.10 -2.83 0.16 0.00 1.34 0.00 0.00 72.50 71.07 3gk0 s THR 109 CO 0.10 0.00 1.93 0.71 -0.54 0.00 0.00 174.62 176.82 3gk0 h THR 110 N -1.45 1.17 -0.04 3.99 1.35 -1.96 -1.98 112.91 113.99 3gk0 h THR 110 Ca -0.48 -0.78 -0.13 0.00 -0.55 0.00 0.00 66.41 64.47 3gk0 h THR 110 Cb 1.32 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 3gk0 h THR 110 CO 0.59 0.24 -0.55 -0.08 -0.25 0.00 0.00 175.52 175.46 3gk0 h GLU 111 N 0.14 0.11 0.00 4.72 4.81 -2.04 -3.47 114.58 118.85 3gk0 h GLU 111 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3gk0 h GLU 111 Cb 0.38 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3gk0 h GLU 111 CO 0.02 0.64 0.00 0.41 -0.73 0.00 0.00 179.01 179.35 3gk0 n GLY 112 N 0.10 1.00 3.83 1.92 0.00 -0.75 -4.96 105.19 106.34 3gk0 n GLY 112 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.55 1.68 0.06 -0.02 0.00 -1.26 -4.69 107.32 102.53 3gk0 s GLY 113 Ca 0.00 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 43.44 3gk0 s GLY 113 CO 0.00 -0.24 1.59 -2.27 0.00 0.00 0.00 173.10 172.18 3gk0 s LEU 114 N -6.11 4.35 -1.22 0.66 0.20 0.64 -2.11 118.68 115.09 3gk0 s LEU 114 Ca 0.70 2.41 -0.20 0.00 0.69 0.00 0.00 54.13 57.73 3gk0 s LEU 114 Cb -0.08 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.10 3gk0 s LEU 114 CO 0.53 -0.85 1.87 -0.67 -0.29 0.00 0.00 176.35 176.95 3gk0 n ASP 115 N 5.48 3.87 -0.12 3.68 4.64 0.23 -4.74 116.55 129.59 3gk0 n ASP 115 Ca 0.15 -2.80 -0.08 0.00 -1.38 0.00 0.00 54.79 50.68 3gk0 n ASP 115 Cb 0.41 -1.69 0.08 0.00 -1.04 0.00 0.00 41.12 38.88 3gk0 n ASP 115 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3gk0 h VAL 116 N 5.64 1.27 0.28 5.18 2.07 -1.91 -2.65 116.25 126.12 3gk0 h VAL 116 Ca 0.35 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3gk0 h VAL 116 Cb 0.87 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3gk0 h VAL 116 CO 1.42 0.44 -0.13 0.58 0.02 0.00 0.00 177.57 179.89 3gk0 h VAL 117 N 0.75 0.74 0.00 2.57 2.07 -1.90 0.42 116.25 120.90 3gk0 h VAL 117 Ca 0.11 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3gk0 h VAL 117 Cb 0.68 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3gk0 h VAL 117 CO 0.05 0.02 0.00 1.23 0.02 0.00 0.00 177.57 178.89 3gk0 h GLY 118 N -0.43 0.00 -2.54 2.17 0.00 -1.96 -3.14 103.07 97.17 3gk0 h GLY 118 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 3gk0 h GLY 118 CO 0.06 0.00 -0.77 1.42 0.00 0.00 0.00 176.54 177.26 3gk0 n HIS 119 N -2.90 0.69 -0.22 5.60 8.25 -1.00 -4.94 115.22 120.71 3gk0 n HIS 119 Ca 0.00 -1.47 0.02 0.00 -0.26 0.00 0.00 57.72 56.01 3gk0 n HIS 119 Cb 0.24 -0.24 0.13 0.00 1.12 0.00 0.00 29.99 31.24 3gk0 n HIS 119 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3gk0 h PHE 120 N 1.42 0.18 -0.31 4.41 3.57 -0.87 -1.47 116.94 123.88 3gk0 h PHE 120 Ca 0.00 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3gk0 h PHE 120 Cb 1.36 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 3gk0 h PHE 120 CO 0.61 -0.07 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.04 3gk0 h ASP 121 N 0.24 0.65 -0.80 0.41 3.32 -1.90 0.14 116.42 118.48 3gk0 h ASP 121 Ca 0.35 -0.40 0.04 0.00 0.02 0.00 0.00 57.03 57.04 3gk0 h ASP 121 Cb 0.56 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 3gk0 h ASP 121 CO -0.46 0.91 0.50 0.00 -1.72 0.00 0.00 179.24 178.47 3gk0 h ALA 122 N 0.76 1.06 -0.07 3.45 0.00 -1.88 -1.11 119.26 121.48 3gk0 h ALA 122 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3gk0 h ALA 122 Cb 0.65 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gk0 h ALA 122 CO 0.04 0.30 -0.58 0.28 0.00 0.00 0.00 179.25 179.29 3gk0 h VAL 123 N 0.97 1.37 -0.86 0.00 2.07 -1.03 -2.01 116.25 116.77 3gk0 h VAL 123 Ca 0.33 -1.93 0.03 0.00 0.82 0.00 0.00 66.70 65.94 3gk0 h VAL 123 Cb 0.05 2.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3gk0 h VAL 123 CO -0.13 0.58 0.57 -0.09 0.02 0.00 0.00 177.57 178.52 3gk0 h ARG 124 N 0.10 1.06 -0.59 1.57 2.43 -0.70 -0.87 114.38 117.39 3gk0 h ARG 124 Ca -0.05 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3gk0 h ARG 124 Cb 1.24 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 3gk0 h ARG 124 CO 0.12 0.70 0.07 0.00 -1.51 0.00 0.00 179.97 179.36 3gk0 h ALA 125 N 1.49 0.79 -0.66 2.80 0.00 -1.14 -2.46 119.26 120.07 3gk0 h ALA 125 Ca 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3gk0 h ALA 125 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3gk0 h ALA 125 CO -0.09 0.56 0.28 0.00 0.00 0.00 0.00 179.25 180.00 3gk0 h ALA 126 N 1.00 0.86 -0.75 0.00 0.00 -0.88 -1.72 119.26 117.78 3gk0 h ALA 126 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gk0 h ALA 126 Cb 0.45 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3gk0 h ALA 126 CO 0.02 0.46 0.49 0.00 0.00 0.00 0.00 179.25 180.21 3gk0 h LYS 128 N 1.02 0.32 -0.39 0.00 3.11 -1.16 -1.60 116.57 117.87 3gk0 h LYS 128 Ca 0.27 -0.20 0.04 0.00 -2.81 0.00 0.00 60.65 57.96 3gk0 h LYS 128 Cb -0.10 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.11 3gk0 h LYS 128 CO -0.06 0.78 0.15 0.37 -2.81 0.00 0.00 179.45 177.88 3gk0 h GLN 129 N -0.11 0.30 -0.19 1.90 4.15 -1.09 -0.53 115.11 119.54 3gk0 h GLN 129 Ca 0.01 -0.02 -0.20 0.00 0.77 0.00 0.00 58.65 59.21 3gk0 h GLN 129 Cb 0.76 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.38 3gk0 h GLN 129 CO 0.04 0.20 -0.67 -0.07 -1.93 0.00 0.00 178.83 176.40 3gk0 h LEU 130 N 0.31 0.87 -1.19 -2.39 3.38 -1.37 -3.04 115.31 111.89 3gk0 h LEU 130 Ca 0.18 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3gk0 h LEU 130 Cb 0.15 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3gk0 h LEU 130 CO -0.17 1.31 0.38 0.00 0.09 0.00 0.00 178.44 180.05 3gk0 h ALA 131 N 0.69 1.39 0.00 1.53 0.00 -1.05 -0.80 119.26 121.01 3gk0 h ALA 131 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3gk0 h ALA 131 Cb 1.28 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3gk0 h ALA 131 CO 0.14 0.51 -0.14 -0.44 0.00 0.00 0.00 179.25 179.32 3gk0 h ASP 132 N 0.95 0.00 -0.45 0.00 5.19 -1.07 -2.28 116.42 118.76 3gk0 h ASP 132 Ca 0.24 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.56 3gk0 h ASP 132 Cb 0.01 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 3gk0 h ASP 132 CO -0.04 0.14 0.11 0.00 -3.12 0.00 0.00 179.24 176.33 3gk0 n ALA 133 N -2.39 3.72 -0.98 3.45 0.00 -0.40 -4.91 120.51 119.00 3gk0 n ALA 133 Ca -0.02 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 51.98 3gk0 n ALA 133 Cb 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.15 0.40 3.77 0.00 0.00 -0.86 -4.83 105.19 103.82 3gk0 n GLY 134 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.89 5.05 -0.34 1.61 1.01 -0.62 -4.92 120.40 120.30 3gk0 s VAL 135 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 61.98 62.72 3gk0 s VAL 135 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3gk0 s VAL 135 CO 0.00 0.44 0.83 -0.60 0.00 0.00 0.00 175.10 175.77 3gk0 s ARG 136 N -0.20 3.85 -0.16 2.72 3.00 -0.37 -3.91 118.95 123.88 3gk0 s ARG 136 Ca 0.26 0.49 -0.07 0.00 -1.00 0.00 0.00 55.73 55.42 3gk0 s ARG 136 Cb -0.16 -3.78 -0.04 0.00 0.00 0.00 0.00 34.95 30.97 3gk0 s ARG 136 CO 0.13 -0.82 0.07 0.08 0.00 0.00 0.00 175.30 174.76 3gk0 s VAL 137 N 3.16 4.87 0.08 7.11 1.01 -1.26 -1.53 120.40 133.85 3gk0 s VAL 137 Ca 0.34 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.39 3gk0 s VAL 137 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3gk0 s VAL 137 CO 0.16 0.51 -0.22 -0.55 0.00 0.00 0.00 175.10 175.00 3gk0 s SER 138 N -0.08 3.60 -0.15 3.32 0.15 0.72 -2.83 113.70 118.42 3gk0 s SER 138 Ca 0.07 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 3gk0 s SER 138 Cb -0.12 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.73 3gk0 s SER 138 CO 0.01 0.22 -0.10 -0.76 1.20 0.00 0.00 173.24 173.81 3gk0 s LEU 139 N -1.70 2.79 -0.43 3.45 1.43 -0.81 -0.44 118.68 122.97 3gk0 s LEU 139 Ca 0.15 -0.33 -0.26 0.00 -1.03 0.00 0.00 54.13 52.66 3gk0 s LEU 139 Cb -0.10 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.49 3gk0 s LEU 139 CO 0.06 0.12 0.92 0.12 0.23 0.00 0.00 176.35 177.80 3gk0 s PHE 140 N 0.64 2.97 0.04 0.29 2.19 -0.90 -1.20 117.98 122.00 3gk0 s PHE 140 Ca -0.06 0.52 -0.00 0.00 0.33 0.00 0.00 56.93 57.72 3gk0 s PHE 140 Cb -0.15 -3.86 -0.03 0.00 -1.31 0.00 0.00 43.02 37.67 3gk0 s PHE 140 CO 0.03 -1.00 -0.04 0.96 1.83 0.00 0.00 175.22 177.00 3gk0 s ILE 141 N 3.66 0.22 0.68 3.12 -4.36 -0.57 -0.26 121.20 123.68 3gk0 s ILE 141 Ca 0.37 -1.27 -0.17 0.00 -0.26 0.00 0.00 60.65 59.32 3gk0 s ILE 141 Cb -0.11 -0.78 0.01 0.00 1.25 0.00 0.00 42.46 42.83 3gk0 s ILE 141 CO 0.24 -0.67 1.28 -1.81 0.24 0.00 0.00 174.94 174.22 3gk0 s ASP 142 N -2.03 4.39 -1.22 4.36 1.01 -1.26 -0.56 116.67 121.36 3gk0 s ASP 142 Ca -0.06 2.59 -0.18 0.00 0.71 0.00 0.00 52.55 55.61 3gk0 s ASP 142 Cb -0.03 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 3gk0 s ASP 142 CO -0.04 -2.15 2.02 -0.81 0.21 0.00 0.00 175.17 174.41 3gk0 n PRO 143 N -2.17 2.45 -4.20 8.23 -0.04 -1.26 -4.65 135.00 133.36 3gk0 n PRO 143 Ca 0.16 -2.53 -0.23 0.00 -0.04 0.00 0.00 63.50 60.85 3gk0 n PRO 143 Cb 0.48 -3.28 -0.17 0.00 -0.04 0.00 0.00 33.50 30.49 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 4.21 1.57 0.21 3.54 2.15 -1.26 -4.84 116.67 122.26 3gk0 s ASP 144 Ca 0.53 -0.22 -0.09 0.00 0.43 0.00 0.00 52.55 53.21 3gk0 s ASP 144 Cb 0.11 -0.66 0.31 0.00 -0.30 0.00 0.00 42.92 42.38 3gk0 s ASP 144 CO 0.02 -0.06 1.73 -0.08 -0.17 0.00 0.00 175.17 176.61 3gk0 h GLU 145 N 7.46 0.34 -0.30 4.34 4.81 -1.99 0.69 114.58 129.94 3gk0 h GLU 145 Ca -0.32 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.73 3gk0 h GLU 145 Cb 1.16 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3gk0 h GLU 145 CO 0.43 0.23 -0.46 0.00 -0.73 0.00 0.00 179.01 178.49 3gk0 h ALA 146 N 1.46 0.46 -0.59 2.92 0.00 -1.97 -0.13 119.26 121.42 3gk0 h ALA 146 Ca 0.33 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3gk0 h ALA 146 Cb 0.46 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3gk0 h ALA 146 CO -0.36 0.61 0.09 1.96 0.00 0.00 0.00 179.25 181.55 3gk0 h GLN 147 N 0.62 0.99 -0.61 0.00 1.08 -1.72 -0.15 115.11 115.33 3gk0 h GLN 147 Ca 0.03 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.91 3gk0 h GLN 147 Cb 1.06 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 3gk0 h GLN 147 CO 0.11 0.94 0.18 0.82 -0.95 0.00 0.00 178.83 179.93 3gk0 h ILE 148 N 0.89 1.23 -0.20 2.54 2.04 -0.71 0.50 117.51 123.81 3gk0 h ILE 148 Ca 0.18 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 3gk0 h ILE 148 Cb 0.44 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3gk0 h ILE 148 CO 0.01 0.31 -0.02 -0.09 0.00 0.00 0.00 178.15 178.36 3gk0 h ARG 149 N 0.89 0.36 -0.78 2.37 2.43 -0.82 -2.86 114.38 115.99 3gk0 h ARG 149 Ca 0.20 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3gk0 h ARG 149 Cb 0.26 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3gk0 h ARG 149 CO -0.01 0.59 0.33 0.00 -1.51 0.00 0.00 179.97 179.38 3gk0 h ALA 150 N 0.76 1.12 -1.00 2.80 0.00 -0.76 -2.00 119.26 120.19 3gk0 h ALA 150 Ca 0.05 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 150 Cb 0.44 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3gk0 h ALA 150 CO 0.01 0.64 0.63 0.00 0.00 0.00 0.00 179.25 180.53 3gk0 h ALA 151 N 1.24 1.53 -0.20 0.00 0.00 -0.85 -1.45 119.26 119.54 3gk0 h ALA 151 Ca 0.26 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3gk0 h ALA 151 Cb 0.17 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gk0 h ALA 151 CO -0.03 0.18 -0.18 1.25 0.00 0.00 0.00 179.25 180.48 3gk0 h HIS 152 N 0.96 0.56 0.00 0.00 6.17 -1.14 -2.89 115.15 118.81 3gk0 h HIS 152 Ca 0.51 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 61.43 3gk0 h HIS 152 Cb 0.55 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.36 3gk0 h HIS 152 CO -0.01 0.81 0.00 0.93 0.71 0.00 0.00 177.93 180.38 3gk0 h GLU 153 N 0.14 0.00 -0.29 5.26 4.39 -1.08 -2.32 114.58 120.68 3gk0 h GLU 153 Ca 0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3gk0 h GLU 153 Cb 0.71 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 3gk0 h GLU 153 CO 0.04 0.00 -0.14 1.15 -1.16 0.00 0.00 179.01 178.91 3gk0 h THR 154 N 0.00 1.23 0.00 1.13 2.02 -1.05 -3.48 112.91 112.77 3gk0 h THR 154 Ca 0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.14 3gk0 h THR 154 Cb 0.17 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3gk0 h THR 154 CO 0.00 0.34 0.00 0.61 0.37 0.00 0.00 175.52 176.84 3gk0 n GLY 155 N -0.62 2.15 3.61 2.16 0.00 -0.87 -4.70 105.19 106.91 3gk0 n GLY 155 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.20 -0.22 1.85 4.61 0.00 -1.26 -4.90 120.51 120.38 3gk0 n ALA 156 Ca 0.00 0.45 0.15 0.00 0.00 0.00 0.00 53.44 54.04 3gk0 n ALA 156 Cb 0.00 -2.10 0.82 0.00 0.00 0.00 0.00 19.45 18.17 3gk0 n ALA 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3gk0 n PRO 157 N 1.85 1.20 -3.84 0.00 -0.04 -1.24 -4.81 135.00 128.12 3gk0 n PRO 157 Ca 0.14 -0.29 -0.12 0.00 -0.04 0.00 0.00 63.50 63.19 3gk0 n PRO 157 Cb 0.26 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.00 0.00 0.10 0.52 1.01 -1.13 -1.77 120.40 117.13 3gk0 s VAL 158 Ca 0.45 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.50 3gk0 s VAL 158 Cb 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.43 3gk0 s VAL 158 CO 0.36 -0.01 -0.24 0.27 0.00 0.00 0.00 175.10 175.48 3gk0 s ILE 159 N 0.01 2.00 -0.24 2.22 -4.36 -0.21 -1.93 121.20 118.69 3gk0 s ILE 159 Ca -0.00 -1.56 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 3gk0 s ILE 159 Cb -0.01 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.96 3gk0 s ILE 159 CO 0.00 0.11 -0.08 -0.70 0.24 0.00 0.00 174.94 174.51 3gk0 s GLU 160 N -1.76 2.80 0.22 0.37 2.12 -0.34 -0.13 118.70 121.99 3gk0 s GLU 160 Ca 0.11 -0.99 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 3gk0 s GLU 160 Cb -0.10 -2.93 -0.08 0.00 0.26 0.00 0.00 34.13 31.28 3gk0 s GLU 160 CO 0.04 -0.39 1.07 -0.51 -0.54 0.00 0.00 175.26 174.93 3gk0 s LEU 161 N 1.30 4.54 -0.78 2.70 1.43 0.22 -1.51 118.68 126.58 3gk0 s LEU 161 Ca -0.00 2.12 -0.26 0.00 -1.03 0.00 0.00 54.13 54.96 3gk0 s LEU 161 Cb -0.16 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.47 3gk0 s LEU 161 CO -0.06 -0.12 1.38 -2.28 0.23 0.00 0.00 176.35 175.50 3gk0 s HIS 162 N -0.72 2.26 -0.52 0.29 5.65 0.28 -4.24 115.29 118.28 3gk0 s HIS 162 Ca 0.46 -0.10 0.04 0.00 0.25 0.00 0.00 55.06 55.71 3gk0 s HIS 162 Cb -0.30 -4.58 0.29 0.00 -1.18 0.00 0.00 32.58 26.82 3gk0 s HIS 162 CO 0.37 -2.07 1.11 0.25 -0.65 0.00 0.00 174.74 173.74 3gk0 n THR 163 N 6.58 1.33 -0.09 0.89 -2.24 -1.26 -4.46 114.28 115.04 3gk0 n THR 163 Ca 0.11 -0.60 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 3gk0 n THR 163 Cb 0.50 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.13 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 4.02 0.55 1.01 3.38 0.00 -1.90 -0.87 103.07 109.25 3gk0 h GLY 164 Ca 0.08 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 3gk0 h GLY 164 CO 0.27 0.43 -0.11 3.21 0.00 0.00 0.00 176.54 180.34 3gk0 h ARG 165 N 0.23 0.83 -0.32 4.80 3.08 -1.93 0.20 114.38 121.28 3gk0 h ARG 165 Ca 0.06 -0.32 0.07 0.00 0.07 0.00 0.00 59.98 59.86 3gk0 h ARG 165 Cb 0.58 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.51 3gk0 h ARG 165 CO 0.03 0.95 -0.21 -0.92 -1.07 0.00 0.00 179.97 178.75 3gk0 h TYR 166 N 0.66 -0.56 -0.71 3.04 5.03 -1.86 -1.35 116.97 121.21 3gk0 h TYR 166 Ca 0.11 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 3gk0 h TYR 166 Cb 0.65 0.29 -0.03 0.00 1.55 0.00 0.00 36.73 39.19 3gk0 h TYR 166 CO 0.05 -0.29 0.23 0.00 -1.32 0.00 0.00 178.16 176.82 3gk0 h ALA 167 N 0.98 0.93 -0.13 1.82 0.00 -0.79 -2.97 119.26 119.10 3gk0 h ALA 167 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gk0 h ALA 167 Cb 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gk0 h ALA 167 CO -0.43 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 3gk0 n ASP 168 N -4.29 1.47 -4.76 0.00 8.00 0.66 -4.92 116.55 112.71 3gk0 n ASP 168 Ca 0.05 -1.65 -0.41 0.00 0.71 0.00 0.00 54.79 53.49 3gk0 n ASP 168 Cb 0.22 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 3gk0 n ASP 168 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gk0 s ALA 169 N -1.84 3.66 -0.10 2.24 0.00 -0.53 -4.97 121.76 120.23 3gk0 s ALA 169 Ca 0.33 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 3gk0 s ALA 169 Cb 0.17 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3gk0 s ALA 169 CO 0.27 -0.92 -0.07 0.45 0.00 0.00 0.00 175.76 175.49 3gk0 h HIS 170 N 4.35 0.00 -3.03 0.00 -0.00 -1.91 -3.46 115.15 111.10 3gk0 h HIS 170 Ca -0.48 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.42 3gk0 h HIS 170 Cb 1.22 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 28.67 3gk0 h HIS 170 CO 0.57 0.00 -0.03 0.16 -0.00 0.00 0.00 177.93 178.63 3gk0 s ASP 171 N -5.18 5.91 0.49 2.45 -4.77 -1.26 -4.98 116.67 109.33 3gk0 s ASP 171 Ca -0.06 0.47 0.17 0.00 -3.30 0.00 0.00 52.55 49.84 3gk0 s ASP 171 Cb 0.01 -1.73 1.19 0.00 -1.09 0.00 0.00 42.92 41.30 3gk0 s ASP 171 CO 0.09 -0.69 2.07 0.00 0.70 0.00 0.00 175.17 177.33 3gk0 h ALA 172 N 0.32 1.73 -0.02 2.11 0.00 -1.99 -2.41 119.26 118.99 3gk0 h ALA 172 Ca -0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3gk0 h ALA 172 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gk0 h ALA 172 CO 0.59 0.14 -0.07 0.00 0.00 0.00 0.00 179.25 179.90 3gk0 h ALA 173 N 1.89 0.03 -0.97 0.00 0.00 -1.99 -1.73 119.26 116.49 3gk0 h ALA 173 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3gk0 h ALA 173 Cb 0.21 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3gk0 h ALA 173 CO 0.01 -0.09 0.63 1.49 0.00 0.00 0.00 179.25 181.30 3gk0 h GLU 174 N -0.53 1.13 -0.24 0.00 4.81 -1.93 -0.84 114.58 116.98 3gk0 h GLU 174 Ca -0.00 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 3gk0 h GLU 174 Cb 0.73 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 3gk0 h GLU 174 CO 0.02 0.75 -0.57 0.37 -0.73 0.00 0.00 179.01 178.85 3gk0 h GLN 175 N 1.17 0.75 -0.16 1.92 4.15 -1.48 -2.12 115.11 119.34 3gk0 h GLN 175 Ca 0.41 -0.49 0.04 0.00 0.77 0.00 0.00 58.65 59.38 3gk0 h GLN 175 Cb 0.11 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 3gk0 h GLN 175 CO -0.16 1.12 -0.12 0.37 -1.93 0.00 0.00 178.83 178.11 3gk0 h GLN 176 N 0.57 -0.13 -0.50 1.69 5.75 -0.84 0.48 115.11 122.13 3gk0 h GLN 176 Ca 0.01 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 3gk0 h GLN 176 Cb 1.16 0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.70 3gk0 h GLN 176 CO 0.12 -0.08 0.25 0.00 -2.65 0.00 0.00 178.83 176.47 3gk0 h ARG 177 N -0.13 0.48 -0.06 1.69 2.47 -1.05 -2.31 114.38 115.48 3gk0 h ARG 177 Ca 0.10 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.65 3gk0 h ARG 177 Cb 0.28 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 3gk0 h ARG 177 CO -0.24 0.32 -0.58 0.93 0.56 0.00 0.00 179.97 180.96 3gk0 h GLU 178 N 0.50 0.19 -0.36 0.04 4.39 -1.21 -2.77 114.58 115.35 3gk0 h GLU 178 Ca 0.22 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.82 3gk0 h GLU 178 Cb 0.12 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 3gk0 h GLU 178 CO -0.15 0.71 0.19 0.35 -1.16 0.00 0.00 179.01 178.95 3gk0 h PHE 179 N 0.14 0.35 -0.96 4.33 3.57 -0.53 -2.38 116.94 121.46 3gk0 h PHE 179 Ca -0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3gk0 h PHE 179 Cb 1.06 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 3gk0 h PHE 179 CO 0.02 0.20 0.63 0.93 -2.23 0.00 0.00 178.31 177.85 3gk0 h GLU 180 N 0.39 1.20 -0.50 1.11 4.39 -1.21 0.13 114.58 120.10 3gk0 h GLU 180 Ca 0.15 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.83 3gk0 h GLU 180 Cb 0.04 -0.27 -0.05 0.00 -0.10 0.00 0.00 28.75 28.37 3gk0 h GLU 180 CO -0.09 0.80 0.21 0.00 -1.16 0.00 0.00 179.01 178.77 3gk0 h ARG 181 N 1.24 0.40 -0.35 2.33 3.08 -1.19 0.51 114.38 120.40 3gk0 h ARG 181 Ca 0.38 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.32 3gk0 h ARG 181 Cb -0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3gk0 h ARG 181 CO -0.11 0.26 -0.09 0.82 -1.07 0.00 0.00 179.97 179.78 3gk0 h ILE 182 N 0.41 1.28 -0.19 2.04 2.04 -0.92 -0.35 117.51 121.82 3gk0 h ILE 182 Ca 0.23 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3gk0 h ILE 182 Cb 0.21 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3gk0 h ILE 182 CO -0.21 0.38 -0.12 0.00 0.00 0.00 0.00 178.15 178.20 3gk0 h ALA 183 N 0.82 0.02 -0.26 1.87 0.00 -0.28 -0.13 119.26 121.30 3gk0 h ALA 183 Ca 0.09 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3gk0 h ALA 183 Cb 0.59 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3gk0 h ALA 183 CO 0.04 -0.55 -0.34 1.79 0.00 0.00 0.00 179.25 180.18 3gk0 h THR 184 N -0.12 1.29 -0.98 0.00 1.35 -0.85 -2.27 112.91 111.33 3gk0 h THR 184 Ca 0.11 -1.47 0.04 0.00 -0.55 0.00 0.00 66.41 64.54 3gk0 h THR 184 Cb 0.28 1.46 -0.06 0.00 -1.73 0.00 0.00 68.15 68.10 3gk0 h THR 184 CO -0.26 0.47 0.64 1.23 -0.25 0.00 0.00 175.52 177.35 3gk0 h GLY 185 N 1.04 1.42 0.86 5.82 0.00 -0.61 -0.19 103.07 111.41 3gk0 h GLY 185 Ca 0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3gk0 h GLY 185 CO 0.07 0.41 0.03 -2.08 0.00 0.00 0.00 176.54 174.97 3gk0 h VAL 186 N 1.23 1.13 -0.69 4.60 2.07 -0.58 -2.24 116.25 121.78 3gk0 h VAL 186 Ca 0.39 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3gk0 h VAL 186 Cb 0.01 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 3gk0 h VAL 186 CO -0.12 0.11 0.45 0.44 0.02 0.00 0.00 177.57 178.47 3gk0 h ASP 187 N -0.05 0.76 -0.95 0.57 3.32 -1.12 -1.58 116.42 117.36 3gk0 h ASP 187 Ca 0.02 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3gk0 h ASP 187 Cb 0.16 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3gk0 h ASP 187 CO -0.00 0.54 0.62 0.00 -1.72 0.00 0.00 179.24 178.68 3gk0 h ALA 188 N 1.27 1.25 -0.07 3.45 0.00 -0.95 0.95 119.26 125.16 3gk0 h ALA 188 Ca 0.26 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3gk0 h ALA 188 Cb -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.40 3gk0 h ALA 188 CO -0.08 0.53 -0.47 0.78 0.00 0.00 0.00 179.25 180.01 3gk0 h GLY 189 N 1.23 0.48 0.97 0.00 0.00 -1.09 -2.53 103.07 102.13 3gk0 h GLY 189 Ca 0.37 -0.72 0.02 0.00 0.00 0.00 0.00 47.33 47.01 3gk0 h GLY 189 CO -0.11 0.64 0.64 -2.22 0.00 0.00 0.00 176.54 175.49 3gk0 h ILE 190 N -0.02 1.21 0.00 2.60 2.04 -1.21 0.27 117.51 122.39 3gk0 h ILE 190 Ca -0.04 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3gk0 h ILE 190 Cb 1.13 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3gk0 h ILE 190 CO 0.10 0.23 -0.11 0.00 0.00 0.00 0.00 178.15 178.37 3gk0 h ALA 191 N 1.41 1.50 -0.22 1.87 0.00 -0.65 -1.39 119.26 121.78 3gk0 h ALA 191 Ca 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3gk0 h ALA 191 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gk0 h ALA 191 CO -0.10 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.56 3gk0 n LEU 192 N -3.95 2.48 0.00 0.00 4.77 -0.79 -4.95 117.00 114.56 3gk0 n LEU 192 Ca -0.02 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 3gk0 n LEU 192 Cb 0.20 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gk0 n LEU 192 CO 0.32 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3gk0 n GLY 193 N 1.30 0.55 3.91 -0.72 0.00 -0.52 -5.07 105.19 104.63 3gk0 n GLY 193 Ca 0.17 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3gk0 n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gk0 s LEU 194 N 0.00 4.02 0.07 0.99 1.43 0.01 -4.99 118.68 120.22 3gk0 s LEU 194 Ca 0.00 0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 53.63 3gk0 s LEU 194 Cb 0.00 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.61 3gk0 s LEU 194 CO 0.00 -0.23 0.56 -0.54 0.23 0.00 0.00 176.35 176.36 3gk0 s LYS 195 N -3.70 4.16 -0.05 1.70 -0.14 -0.73 -3.95 119.74 117.04 3gk0 s LYS 195 Ca 0.44 0.70 0.05 0.00 -1.36 0.00 0.00 55.97 55.80 3gk0 s LYS 195 Cb -0.11 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.81 3gk0 s LYS 195 CO 0.31 0.63 -0.21 0.54 -0.76 0.00 0.00 175.35 175.87 3gk0 s VAL 196 N -1.13 2.44 0.43 3.17 0.11 -1.26 -1.04 120.40 123.12 3gk0 s VAL 196 Ca 0.29 -0.94 0.05 0.00 -2.93 0.00 0.00 61.98 58.45 3gk0 s VAL 196 Cb -0.19 -1.91 -0.06 0.00 -1.53 0.00 0.00 36.38 32.69 3gk0 s VAL 196 CO 0.19 0.58 0.02 0.20 -3.33 0.00 0.00 175.10 172.75 3gk0 s ASN 197 N -0.44 3.67 0.23 3.54 0.01 0.82 -0.62 114.94 122.15 3gk0 s ASN 197 Ca 0.05 -1.47 -0.07 0.00 -0.71 0.00 0.00 52.86 50.66 3gk0 s ASN 197 Cb -0.12 -0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.53 3gk0 s ASN 197 CO 0.01 -0.62 0.42 0.00 -1.51 0.00 0.00 177.10 175.40 3gk0 n ALA 198 N -1.01 -0.83 0.00 0.60 0.00 -0.86 -0.61 120.51 117.80 3gk0 n ALA 198 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3gk0 n ALA 198 Cb 0.67 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.75 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 -0.32 0.72 3.73 0.00 0.00 -1.26 -0.74 105.19 107.32 3gk0 n GLY 199 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 3.02 0.00 1.61 2.46 -1.26 -1.91 115.29 119.21 3gk0 s HIS 200 Ca 0.00 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.28 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 -3.23 0.00 0.41 -2.47 0.00 0.00 174.74 169.45 3gk0 n GLY 201 N 3.17 0.42 3.73 1.59 0.00 -1.26 -3.70 105.19 109.14 3gk0 n GLY 201 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 4.45 0.00 0.99 1.43 -0.80 -4.79 118.68 119.96 3gk0 s LEU 202 Ca 0.00 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 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 -0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.30 3gk0 n HIS 203 N 2.81 0.00 1.25 0.29 1.44 -1.26 -4.53 115.22 115.23 3gk0 n HIS 203 Ca 0.04 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.90 3gk0 n HIS 203 Cb 0.46 0.00 0.69 0.00 0.12 0.00 0.00 29.99 31.26 3gk0 n HIS 203 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3gk0 n TYR 204 N 0.00 0.00 0.05 -1.40 4.02 -1.26 -1.92 117.16 116.65 3gk0 n TYR 204 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.90 3gk0 n TYR 204 Cb 0.00 -0.36 0.01 0.00 -0.02 0.00 0.00 39.34 38.97 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 -1.35 0.18 -0.00 -0.72 -2.24 -1.26 -4.72 114.28 104.16 3gk0 n THR 205 Ca 0.11 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3gk0 n THR 205 Cb 0.28 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.02 0.37 0.17 3.42 0.23 -1.15 -4.72 115.26 113.60 3gk0 n ASN 206 Ca 0.01 -0.69 0.02 0.00 -0.53 0.00 0.00 54.58 53.39 3gk0 n ASN 206 Cb 0.08 0.62 0.29 0.00 -2.08 0.00 0.00 39.78 38.70 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 0.00 1.24 -0.41 3.53 3.04 -1.67 -3.35 116.25 118.63 3gk0 h VAL 207 Ca 0.00 -1.63 -0.00 0.00 -1.01 0.00 0.00 66.70 64.05 3gk0 h VAL 207 Cb 0.00 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 3gk0 h VAL 207 CO 0.00 0.45 0.25 1.56 -1.01 0.00 0.00 177.57 178.82 3gk0 h GLN 208 N 0.00 0.56 -0.71 4.17 7.50 -1.84 -0.13 115.11 124.66 3gk0 h GLN 208 Ca -0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 3gk0 h GLN 208 Cb 0.87 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.24 3gk0 h GLN 208 CO 0.06 0.42 0.38 0.00 -1.50 0.00 0.00 178.83 178.20 3gk0 h ALA 209 N 1.11 1.33 -0.03 3.87 0.00 -1.93 -0.56 119.26 123.06 3gk0 h ALA 209 Ca 0.15 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3gk0 h ALA 209 Cb 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.52 3gk0 h ALA 209 CO -0.03 0.54 -0.54 0.82 0.00 0.00 0.00 179.25 180.05 3gk0 h ILE 210 N 0.99 1.42 0.00 0.00 1.08 -1.57 -3.10 117.51 116.33 3gk0 h ILE 210 Ca 0.25 -1.99 -0.04 0.00 -0.39 0.00 0.00 64.86 62.69 3gk0 h ILE 210 Cb 0.03 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 3gk0 h ILE 210 CO -0.04 0.58 -0.21 0.00 -0.69 0.00 0.00 178.15 177.79 3gk0 h ALA 211 N 0.36 1.44 -0.99 1.87 0.00 -0.95 -2.56 119.26 118.43 3gk0 h ALA 211 Ca -0.06 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gk0 h ALA 211 Cb 1.23 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3gk0 h ALA 211 CO 0.11 0.27 0.63 0.00 0.00 0.00 0.00 179.25 180.25 3gk0 h ALA 212 N 1.79 1.54 -2.24 0.00 0.00 -1.02 -3.37 119.26 115.96 3gk0 h ALA 212 Ca -0.00 0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.37 3gk0 h ALA 212 Cb 0.43 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3gk0 h ALA 212 CO 0.03 0.23 1.27 -0.51 0.00 0.00 0.00 179.25 180.27 3gk0 s LEU 213 N -10.16 4.16 0.46 0.00 1.43 -0.96 -4.79 118.68 108.82 3gk0 s LEU 213 Ca -0.12 2.38 0.30 0.00 -1.03 0.00 0.00 54.13 55.66 3gk0 s LEU 213 Cb 0.22 -3.53 1.13 0.00 0.03 0.00 0.00 46.19 44.04 3gk0 s LEU 213 CO 0.81 -1.26 1.87 1.55 0.23 0.00 0.00 176.35 179.55 3gk0 h PRO 214 N 11.51 0.00 0.00 1.29 0.13 -1.88 -3.07 132.00 139.97 3gk0 h PRO 214 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 3gk0 h PRO 214 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3gk0 h PRO 214 CO 0.95 0.00 -0.18 0.78 -0.23 0.00 0.00 178.00 179.32 3gk0 h GLY 215 N 2.47 0.00 -5.00 1.56 0.00 -1.94 -3.44 103.07 96.73 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 0.00 0.00 0.88 -0.42 0.00 0.00 0.00 176.54 177.00 3gk0 s ILE 216 N -3.84 3.89 -0.09 2.60 1.01 -1.16 -4.45 121.20 119.16 3gk0 s ILE 216 Ca -0.01 1.19 -0.15 0.00 0.00 0.00 0.00 60.65 61.68 3gk0 s ILE 216 Cb 0.11 -3.77 -0.12 0.00 0.01 0.00 0.00 42.46 38.70 3gk0 s ILE 216 CO 0.61 -0.05 0.51 0.00 0.00 0.00 0.00 174.94 176.02 3gk0 h ALA 217 N 8.20 -0.12 -3.73 9.38 0.00 -1.16 -3.47 119.26 128.36 3gk0 h ALA 217 Ca -0.35 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.13 3gk0 h ALA 217 Cb 1.16 0.05 -0.28 0.00 0.00 0.00 0.00 17.79 18.71 3gk0 h ALA 217 CO 0.93 -0.14 -0.72 -2.00 0.00 0.00 0.00 179.25 177.31 3gk0 s GLU 218 N -2.45 0.01 -0.23 0.00 2.12 -1.25 -2.26 118.70 114.63 3gk0 s GLU 218 Ca -0.09 0.00 -0.07 0.00 0.36 0.00 0.00 54.97 55.17 3gk0 s GLU 218 Cb -0.00 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 3gk0 s GLU 218 CO 0.33 -0.00 0.06 -0.51 -0.54 0.00 0.00 175.26 174.60 3gk0 s LEU 219 N 0.03 3.49 -0.47 2.70 1.43 -0.62 -2.03 118.68 123.21 3gk0 s LEU 219 Ca -0.00 -0.15 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 3gk0 s LEU 219 Cb -0.01 -1.92 0.10 0.00 0.03 0.00 0.00 46.19 44.39 3gk0 s LEU 219 CO -0.00 0.01 0.37 0.20 0.23 0.00 0.00 176.35 177.16 3gk0 s ASN 220 N 1.33 5.93 -0.02 2.29 0.01 0.08 -1.14 114.94 123.42 3gk0 s ASN 220 Ca 0.05 -1.59 0.05 0.00 -0.71 0.00 0.00 52.86 50.66 3gk0 s ASN 220 Cb -0.15 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 3gk0 s ASN 220 CO 0.03 -0.67 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.17 3gk0 s ILE 221 N 1.52 3.01 0.00 0.60 1.01 0.04 -4.22 121.20 123.16 3gk0 s ILE 221 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.84 3gk0 s ILE 221 Cb -0.26 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3gk0 s ILE 221 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3gk0 n GLY 222 N 2.07 0.13 0.24 6.18 0.00 -1.26 0.17 105.19 112.72 3gk0 n GLY 222 Ca -0.17 0.00 -0.02 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 0.48 -0.33 1.61 -0.00 -1.92 -1.87 115.15 113.13 3gk0 h HIS 223 Ca 0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.27 3gk0 h HIS 223 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 3gk0 h HIS 223 CO 0.00 0.60 0.12 0.00 -0.00 0.00 0.00 177.93 178.65 3gk0 h ALA 224 N 1.42 1.60 0.02 5.26 0.00 -1.93 0.32 119.26 125.94 3gk0 h ALA 224 Ca 0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 3gk0 h ALA 224 Cb 0.54 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gk0 h ALA 224 CO 0.03 0.32 -1.09 0.82 0.00 0.00 0.00 179.25 179.33 3gk0 h ILE 225 N 0.46 1.28 -0.35 0.00 2.04 -1.68 -2.09 117.51 117.16 3gk0 h ILE 225 Ca 0.11 -2.29 -0.09 0.00 1.00 0.00 0.00 64.86 63.60 3gk0 h ILE 225 Cb 0.12 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3gk0 h ILE 225 CO -0.01 0.71 -0.13 0.58 0.00 0.00 0.00 178.15 179.30 3gk0 h VAL 226 N 0.37 1.28 -0.32 1.67 2.07 -1.31 -0.89 116.25 119.13 3gk0 h VAL 226 Ca -0.14 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.21 3gk0 h VAL 226 Cb 1.74 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.80 3gk0 h VAL 226 CO 0.21 0.40 0.01 0.00 0.02 0.00 0.00 177.57 178.21 3gk0 h ALA 227 N 0.80 0.29 -0.25 1.67 0.00 -0.93 -2.66 119.26 118.19 3gk0 h ALA 227 Ca 0.08 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3gk0 h ALA 227 Cb 0.65 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gk0 h ALA 227 CO 0.04 -0.40 -0.31 1.25 0.00 0.00 0.00 179.25 179.83 3gk0 h HIS 228 N 0.10 0.79 -0.47 0.00 6.17 -1.37 -3.13 115.15 117.24 3gk0 h HIS 228 Ca 0.16 -0.25 0.12 0.00 0.71 0.00 0.00 60.37 61.10 3gk0 h HIS 228 Cb 0.21 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.95 3gk0 h HIS 228 CO -0.23 0.99 0.33 0.00 0.71 0.00 0.00 177.93 179.74 3gk0 h ALA 229 N 0.66 2.30 -0.59 5.26 0.00 -0.95 -1.82 119.26 124.11 3gk0 h ALA 229 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gk0 h ALA 229 Cb 0.89 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3gk0 h ALA 229 CO 0.07 -0.42 0.36 -0.39 0.00 0.00 0.00 179.25 178.87 3gk0 h VAL 230 N 0.11 1.17 0.08 0.00 -1.51 -1.42 0.18 116.25 114.86 3gk0 h VAL 230 Ca 0.22 -0.37 -0.30 0.00 -1.23 0.00 0.00 66.70 65.02 3gk0 h VAL 230 Cb 0.74 0.33 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 3gk0 h VAL 230 CO -0.02 0.18 -1.59 -0.26 -1.23 0.00 0.00 177.57 174.64 3gk0 h PHE 231 N 0.81 0.29 0.00 5.19 0.04 -1.55 -3.42 116.94 118.31 3gk0 h PHE 231 Ca 0.21 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gk0 h PHE 231 Cb -0.03 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.11 3gk0 h PHE 231 CO 0.00 1.30 -1.05 0.28 -0.60 0.00 0.00 178.31 178.24 3gk0 n VAL 232 N -3.34 0.00 0.00 -0.55 0.31 -0.76 -5.12 118.33 108.88 3gk0 n VAL 232 Ca -0.17 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3gk0 n VAL 232 Cb 1.04 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 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 1.88 2.16 0.08 2.92 0.00 0.62 -4.62 105.19 108.22 3gk0 n GLY 233 Ca -0.01 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.25 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 0.15 -0.58 1.61 2.91 -1.94 -0.53 115.95 117.57 3gk0 h TRP 234 Ca 0.00 -0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.10 3gk0 h TRP 234 Cb 0.00 -0.04 -0.09 0.00 -0.51 0.00 0.00 29.16 28.53 3gk0 h TRP 234 CO 0.00 0.45 0.09 0.22 -1.03 0.00 0.00 178.44 178.17 3gk0 h ASP 235 N -0.20 -0.06 -0.42 2.65 1.82 -1.92 -1.97 116.42 116.32 3gk0 h ASP 235 Ca 0.02 0.12 -0.12 0.00 -0.39 0.00 0.00 57.03 56.65 3gk0 h ASP 235 Cb 0.40 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 3gk0 h ASP 235 CO 0.01 -0.02 -0.22 0.78 -1.61 0.00 0.00 179.24 178.18 3gk0 h ASN 236 N 0.22 0.92 -0.85 2.28 2.35 -1.76 -2.05 115.58 116.69 3gk0 h ASN 236 Ca 0.30 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3gk0 h ASN 236 Cb 0.46 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3gk0 h ASN 236 CO -0.42 1.12 0.47 0.00 -1.65 0.00 0.00 177.43 176.96 3gk0 h ALA 237 N 0.82 1.22 0.24 -0.83 0.00 -0.80 -0.88 119.26 119.04 3gk0 h ALA 237 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gk0 h ALA 237 Cb 0.79 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gk0 h ALA 237 CO 0.06 0.63 -0.12 0.28 0.00 0.00 0.00 179.25 180.11 3gk0 h VAL 238 N 1.19 0.61 -0.70 0.00 2.07 -1.32 -2.82 116.25 115.27 3gk0 h VAL 238 Ca 0.30 -0.93 0.14 0.00 0.82 0.00 0.00 66.70 67.03 3gk0 h VAL 238 Cb 0.02 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 3gk0 h VAL 238 CO -0.05 0.15 0.22 -0.09 0.02 0.00 0.00 177.57 177.82 3gk0 h ARG 239 N -0.92 0.34 -0.19 1.57 2.43 -1.28 -0.94 114.38 115.38 3gk0 h ARG 239 Ca -0.03 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3gk0 h ARG 239 Cb 0.49 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 3gk0 h ARG 239 CO 0.05 0.23 0.05 1.49 -1.51 0.00 0.00 179.97 180.28 3gk0 h GLU 240 N 0.35 0.31 -0.65 0.20 4.81 -1.24 -0.86 114.58 117.50 3gk0 h GLU 240 Ca 0.38 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3gk0 h GLU 240 Cb 0.59 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3gk0 h GLU 240 CO -0.42 0.44 0.39 1.98 -0.73 0.00 0.00 179.01 180.67 3gk0 h MET 241 N 0.12 0.88 -0.26 1.92 4.05 -1.10 -0.55 114.93 119.99 3gk0 h MET 241 Ca 0.06 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3gk0 h MET 241 Cb 0.27 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3gk0 h MET 241 CO 0.00 0.62 0.12 -0.22 0.23 0.00 0.00 176.91 177.67 3gk0 h LYS 242 N 0.88 0.25 -0.55 0.39 1.63 -1.07 -1.89 116.57 116.21 3gk0 h LYS 242 Ca 0.23 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3gk0 h LYS 242 Cb -0.03 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 3gk0 h LYS 242 CO -0.04 0.17 0.19 0.00 -3.45 0.00 0.00 179.45 176.31 3gk0 h ALA 243 N 1.14 0.72 -0.41 5.00 0.00 -0.60 0.02 119.26 125.13 3gk0 h ALA 243 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3gk0 h ALA 243 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3gk0 h ALA 243 CO -0.08 0.36 0.10 0.82 0.00 0.00 0.00 179.25 180.46 3gk0 h ILE 244 N 0.76 1.18 -0.13 0.00 2.04 -1.09 -0.93 117.51 119.35 3gk0 h ILE 244 Ca 0.18 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 3gk0 h ILE 244 Cb 0.25 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3gk0 h ILE 244 CO -0.01 0.23 -0.35 0.24 0.00 0.00 0.00 178.15 178.27 3gk0 h MET 245 N 0.59 0.46 -0.25 2.37 2.86 -0.55 -2.26 114.93 118.14 3gk0 h MET 245 Ca 0.14 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 3gk0 h MET 245 Cb 0.22 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 3gk0 h MET 245 CO -0.00 0.94 0.12 0.28 1.06 0.00 0.00 176.91 179.31 3gk0 h VAL 246 N 0.06 1.14 -0.21 -2.22 2.07 -0.93 -1.17 116.25 114.99 3gk0 h VAL 246 Ca -0.01 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.14 3gk0 h VAL 246 Cb 0.96 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3gk0 h VAL 246 CO 0.08 0.14 0.02 0.00 0.02 0.00 0.00 177.57 177.83 3gk0 h ALA 247 N 0.99 0.19 -0.85 1.67 0.00 -1.20 0.40 119.26 120.46 3gk0 h ALA 247 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gk0 h ALA 247 Cb 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3gk0 h ALA 247 CO -0.01 -0.41 0.45 0.00 0.00 0.00 0.00 179.25 179.27 3gk0 h ALA 248 N 1.16 1.19 0.12 0.00 0.00 -1.29 -1.59 119.26 118.85 3gk0 h ALA 248 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3gk0 h ALA 248 Cb 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gk0 h ALA 248 CO -0.15 0.64 -0.06 -0.09 0.00 0.00 0.00 179.25 179.60 3gk0 h ARG 249 N 1.19 -0.16 -0.46 0.00 9.65 -0.61 -2.27 114.38 121.72 3gk0 h ARG 249 Ca 0.30 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 59.10 3gk0 h ARG 249 Cb 0.05 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 3gk0 h ARG 249 CO -0.04 0.29 -0.07 -0.39 2.80 0.00 0.00 179.97 182.55 3gk0 h VAL 250 N -0.71 1.25 -0.60 0.20 -1.51 -0.95 -1.61 116.25 112.33 3gk0 h VAL 250 Ca -0.02 -1.13 -0.05 0.00 -1.23 0.00 0.00 66.70 64.27 3gk0 h VAL 250 Cb 0.53 0.98 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 3gk0 h VAL 250 CO 0.03 0.39 0.15 0.00 -1.23 0.00 0.00 177.57 176.91 3gk0 h ALA 251 N 1.18 1.15 -0.04 5.19 0.00 -1.36 -2.48 119.26 122.90 3gk0 h ALA 251 Ca 0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3gk0 h ALA 251 Cb 0.55 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gk0 h ALA 251 CO 0.03 0.58 -0.48 0.00 0.00 0.00 0.00 179.25 179.38 3gk0 h ALA 252 N 1.28 1.13 0.00 0.00 0.00 -1.01 -3.13 119.26 117.54 3gk0 h ALA 252 Ca 0.19 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3gk0 h ALA 252 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gk0 h ALA 252 CO -0.00 0.62 -0.56 -0.07 0.00 0.00 0.00 179.25 179.24 3gk0 h LEU 253 N 0.08 0.00 -1.29 0.00 3.38 -0.85 -3.51 115.31 113.12 3gk0 h LEU 253 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gk0 h LEU 253 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3gk0 h LEU 253 CO 0.07 0.56 0.00 1.41 0.09 0.00 0.00 178.44 180.56