#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk1 s ASN 2 N 0.00 3.98 -0.29 6.43 0.01 -0.03 -3.79 114.94 121.25 1gk1 s ASN 2 Ca 0.00 -0.87 -0.14 0.00 -0.71 0.00 0.00 52.86 51.13 1gk1 s ASN 2 Cb 0.00 -0.52 0.09 0.00 0.41 0.00 0.00 41.25 41.23 1gk1 s ASN 2 CO 0.00 0.03 0.69 -0.94 -1.51 0.00 0.00 177.10 175.36 1gk1 s SER 3 N -3.56 -0.99 0.02 -1.22 1.04 -0.85 -3.20 113.70 104.94 1gk1 s SER 3 Ca 0.30 1.51 0.03 0.00 0.48 0.00 0.00 55.95 58.28 1gk1 s SER 3 Cb -0.06 1.62 -0.02 0.00 0.10 0.00 0.00 66.02 67.67 1gk1 s SER 3 CO 0.17 -0.23 -0.10 0.26 0.98 0.00 0.00 173.24 174.31 1gk1 s TRP 4 N 1.96 0.92 -0.08 5.02 0.51 -1.23 -2.51 118.94 123.51 1gk1 s TRP 4 Ca -0.09 -0.30 -0.03 0.00 -2.12 0.00 0.00 56.10 53.55 1gk1 s TRP 4 Cb -0.07 -0.56 0.05 0.00 -0.81 0.00 0.00 33.47 32.08 1gk1 s TRP 4 CO -0.20 -0.01 0.16 0.00 -0.51 0.00 0.00 176.95 176.40 1gk1 s ALA 5 N -0.72 -0.22 -0.10 0.98 0.00 -0.97 -0.86 121.76 119.87 1gk1 s ALA 5 Ca -0.00 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1gk1 s ALA 5 Cb -0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1gk1 s ALA 5 CO 0.01 -0.47 -0.17 0.08 0.00 0.00 0.00 175.76 175.21 1gk1 s VAL 6 N 2.02 2.68 0.64 0.00 1.01 -0.03 -1.44 120.40 125.28 1gk1 s VAL 6 Ca -0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1gk1 s VAL 6 Cb -0.12 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1gk1 s VAL 6 CO -0.06 0.55 1.05 0.00 0.00 0.00 0.00 175.10 176.64 1gk1 s ALA 7 N 0.15 2.76 0.24 5.51 0.00 0.15 -2.03 121.76 128.54 1gk1 s ALA 7 Ca -0.09 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1gk1 s ALA 7 Cb -0.16 -3.18 0.42 0.00 0.00 0.00 0.00 23.12 20.20 1gk1 s ALA 7 CO 0.06 -0.97 1.77 -1.35 0.00 0.00 0.00 175.76 175.27 1gk1 h PRO 8 N -0.17 0.58 0.00 0.00 0.11 -1.80 -2.02 132.00 128.69 1gk1 h PRO 8 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gk1 h PRO 8 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1gk1 h PRO 8 CO 0.58 0.38 0.09 0.78 -0.21 0.00 0.00 178.00 179.62 1gk1 h GLY 9 N 0.60 0.00 -1.60 -0.55 0.00 -1.93 0.17 103.07 99.77 1gk1 h GLY 9 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1gk1 h GLY 9 CO -0.32 0.00 -0.03 1.17 0.00 0.00 0.00 176.54 177.36 1gk1 n LYS 10 N -2.31 1.82 -4.07 4.80 4.81 -0.76 -4.87 118.16 117.57 1gk1 n LYS 10 Ca -0.01 -1.67 -0.22 0.00 -0.87 0.00 0.00 58.31 55.54 1gk1 n LYS 10 Cb 0.13 -1.39 -0.05 0.00 0.02 0.00 0.00 35.03 33.73 1gk1 n LYS 10 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1gk1 s THR 11 N -1.74 3.56 0.04 3.15 -4.23 0.05 -1.87 115.64 114.61 1gk1 s THR 11 Ca 0.23 -1.59 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 1gk1 s THR 11 Cb 0.17 -3.10 -0.17 0.00 1.34 0.00 0.00 72.50 70.74 1gk1 s THR 11 CO 0.27 -0.26 1.25 0.00 -0.54 0.00 0.00 174.62 175.34 1gk1 h ALA 12 N 1.53 0.21 -0.01 3.99 0.00 -0.96 -3.33 119.26 120.70 1gk1 h ALA 12 Ca -0.45 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1gk1 h ALA 12 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1gk1 h ALA 12 CO 0.61 0.34 -0.37 0.09 0.00 0.00 0.00 179.25 179.91 1gk1 n ASN 13 N -4.29 0.92 0.00 0.00 3.02 -1.26 -4.97 115.26 108.68 1gk1 n ASN 13 Ca -0.08 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1gk1 n ASN 13 Cb 0.56 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 1gk1 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk1 n GLY 14 N 1.40 0.63 3.51 7.41 0.00 -1.25 -5.07 105.19 111.81 1gk1 n GLY 14 Ca 0.10 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 1gk1 n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1gk1 s ASN 15 N -2.49 4.11 0.53 1.61 0.02 -1.26 -4.62 114.94 112.84 1gk1 s ASN 15 Ca 0.00 -0.36 -0.20 0.00 -1.02 0.00 0.00 52.86 51.29 1gk1 s ASN 15 Cb 0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 41.25 40.45 1gk1 s ASN 15 CO 0.00 0.25 1.13 0.00 0.02 0.00 0.00 177.10 178.49 1gk1 s ALA 16 N -1.00 2.73 0.02 0.60 0.00 -1.26 -4.47 121.76 118.39 1gk1 s ALA 16 Ca 0.16 0.83 0.08 0.00 0.00 0.00 0.00 51.96 53.03 1gk1 s ALA 16 Cb -0.11 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1gk1 s ALA 16 CO 0.07 -0.73 -0.24 -0.51 0.00 0.00 0.00 175.76 174.35 1gk1 s LEU 17 N -3.71 2.12 -0.00 0.00 1.43 -0.86 -0.67 118.68 117.00 1gk1 s LEU 17 Ca 0.72 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1gk1 s LEU 17 Cb -0.24 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 1gk1 s LEU 17 CO 0.27 0.25 -0.04 -0.22 0.23 0.00 0.00 176.35 176.84 1gk1 s LEU 18 N -0.98 2.01 -0.16 1.79 2.96 -0.21 -0.85 118.68 123.25 1gk1 s LEU 18 Ca 0.10 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1gk1 s LEU 18 Cb -0.09 -0.19 0.01 0.00 0.50 0.00 0.00 46.19 46.42 1gk1 s LEU 18 CO 0.01 0.04 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.66 1gk1 s LEU 19 N -0.10 2.10 -0.25 -0.68 2.96 -0.04 -0.78 118.68 121.88 1gk1 s LEU 19 Ca 0.01 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 1gk1 s LEU 19 Cb -0.02 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1gk1 s LEU 19 CO -0.00 0.04 0.10 -1.10 -1.32 0.00 0.00 176.35 174.07 1gk1 s GLN 20 N 1.03 3.74 -0.41 1.98 -0.21 0.45 -3.58 119.66 122.65 1gk1 s GLN 20 Ca -0.02 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.02 1gk1 s GLN 20 Cb -0.14 -3.40 0.33 0.00 1.00 0.00 0.00 33.01 30.80 1gk1 s GLN 20 CO -0.07 -0.16 0.92 -1.71 -2.12 0.00 0.00 175.29 172.15 1gk1 n ASN 21 N 4.87 -0.73 -4.76 5.90 4.05 -1.20 -1.53 115.26 121.87 1gk1 n ASN 21 Ca -0.16 -3.34 -0.41 0.00 0.45 0.00 0.00 54.58 51.12 1gk1 n ASN 21 Cb 0.52 0.63 -0.04 0.00 1.23 0.00 0.00 39.78 42.12 1gk1 n ASN 21 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1gk1 s PRO 22 N -1.10 4.55 -0.21 1.20 0.04 -1.24 -0.85 135.00 137.39 1gk1 s PRO 22 Ca 0.31 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.22 1gk1 s PRO 22 Cb 0.32 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 1gk1 s PRO 22 CO -0.07 0.06 -0.04 -1.01 0.04 0.00 0.00 177.00 175.97 1gk1 s HIS 23 N -0.87 2.96 0.20 0.56 3.76 -1.26 -3.60 115.29 117.05 1gk1 s HIS 23 Ca 0.47 -0.79 -0.13 0.00 -0.15 0.00 0.00 55.06 54.46 1gk1 s HIS 23 Cb -0.34 -2.07 0.01 0.00 1.11 0.00 0.00 32.58 31.29 1gk1 s HIS 23 CO 0.42 -0.44 0.44 -1.17 -0.85 0.00 0.00 174.74 173.14 1gk1 s LEU 24 N 1.24 0.42 0.38 0.89 2.96 -1.19 -4.49 118.68 118.89 1gk1 s LEU 24 Ca 0.03 -0.75 -0.27 0.00 -0.22 0.00 0.00 54.13 52.92 1gk1 s LEU 24 Cb -0.14 1.73 -0.11 0.00 0.50 0.00 0.00 46.19 48.17 1gk1 s LEU 24 CO -0.01 -1.04 1.27 -0.24 -1.32 0.00 0.00 176.35 175.01 1gk1 n SER 25 N -0.32 2.60 -0.20 3.68 2.88 -1.26 -2.97 113.62 118.04 1gk1 n SER 25 Ca -0.06 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.77 1gk1 n SER 25 Cb 0.62 -1.49 0.47 0.00 -0.75 0.00 0.00 64.21 63.06 1gk1 n SER 25 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1gk1 n TRP 26 N 0.05 0.00 0.00 0.66 7.02 -0.74 -4.35 117.44 120.09 1gk1 n TRP 26 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1gk1 n TRP 26 Cb 0.38 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.12 1gk1 n TRP 26 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1gk1 n THR 27 N -0.75 0.00 -2.04 -0.99 -2.24 -1.26 -5.01 114.28 101.99 1gk1 n THR 27 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 1gk1 n THR 27 Cb 0.32 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 1gk1 n THR 27 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gk1 s THR 28 N -1.90 3.63 0.16 4.28 2.01 -1.26 -4.92 115.64 117.65 1gk1 s THR 28 Ca 0.00 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 1gk1 s THR 28 Cb 0.00 -3.50 0.08 0.00 0.01 0.00 0.00 72.50 69.09 1gk1 s THR 28 CO 0.00 -0.07 1.67 -2.24 -0.69 0.00 0.00 174.62 173.29 1gk1 h ASP 29 N 9.48 -0.33 0.16 3.53 3.04 -1.95 -1.98 116.42 128.38 1gk1 h ASP 29 Ca -0.38 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1gk1 h ASP 29 Cb 1.17 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.69 1gk1 h ASP 29 CO 0.96 -0.12 0.00 0.00 -2.04 0.00 0.00 179.24 178.04 1gk1 n TYR 30 N -5.28 0.00 0.75 4.15 0.18 -1.26 -2.10 117.16 113.60 1gk1 n TYR 30 Ca 0.02 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.89 1gk1 n TYR 30 Cb 0.21 -0.13 0.08 0.00 -0.38 0.00 0.00 39.34 39.12 1gk1 n TYR 30 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 1gk1 n PHE 31 N -1.13 0.00 -2.23 -3.48 3.72 -0.75 -4.73 117.46 108.86 1gk1 n PHE 31 Ca 0.12 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.10 1gk1 n PHE 31 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1gk1 n PHE 31 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1gk1 s THR 32 N -1.51 3.57 0.19 4.37 2.01 -0.89 -4.84 115.64 118.54 1gk1 s THR 32 Ca 0.21 1.08 -0.09 0.00 0.31 0.00 0.00 61.69 63.20 1gk1 s THR 32 Cb 0.15 -3.69 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 1gk1 s THR 32 CO 0.23 0.05 0.49 -0.31 -0.69 0.00 0.00 174.62 174.39 1gk1 s TYR 33 N 1.60 3.47 -0.05 4.92 2.02 -1.26 -1.57 117.35 126.49 1gk1 s TYR 33 Ca 0.63 0.81 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 1gk1 s TYR 33 Cb -0.34 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 1gk1 s TYR 33 CO 0.29 0.35 -0.07 -0.47 -1.57 0.00 0.00 175.55 174.08 1gk1 s TYR 34 N -1.70 0.93 -0.11 2.71 5.04 0.23 -4.88 117.35 119.56 1gk1 s TYR 34 Ca 0.43 -0.29 -0.16 0.00 -2.44 0.00 0.00 57.07 54.62 1gk1 s TYR 34 Cb -0.12 -0.76 -0.05 0.00 0.35 0.00 0.00 41.96 41.38 1gk1 s TYR 34 CO 0.21 -0.20 0.39 -2.00 -1.34 0.00 0.00 175.55 172.61 1gk1 s GLU 35 N 0.81 4.20 0.23 4.97 2.12 -1.26 -2.13 118.70 127.64 1gk1 s GLU 35 Ca -0.12 0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 1gk1 s GLU 35 Cb -0.15 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.87 1gk1 s GLU 35 CO 0.01 0.31 0.51 0.00 -0.54 0.00 0.00 175.26 175.55 1gk1 s ALA 36 N 0.18 -0.53 -0.05 6.30 0.00 -0.47 -5.01 121.76 122.18 1gk1 s ALA 36 Ca 0.22 -0.64 -0.00 0.00 0.00 0.00 0.00 51.96 51.54 1gk1 s ALA 36 Cb -0.15 0.97 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1gk1 s ALA 36 CO 0.08 -0.85 0.00 -1.58 0.00 0.00 0.00 175.76 173.41 1gk1 s HIS 37 N -3.96 0.48 -0.14 0.00 2.46 -1.26 -1.71 115.29 111.15 1gk1 s HIS 37 Ca 0.17 -0.06 0.01 0.00 0.47 0.00 0.00 55.06 55.65 1gk1 s HIS 37 Cb -0.01 -0.60 0.00 0.00 -0.13 0.00 0.00 32.58 31.84 1gk1 s HIS 37 CO 0.05 -0.22 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.41 1gk1 s LEU 38 N 1.49 2.30 -0.06 8.88 1.02 0.79 -5.00 118.68 128.10 1gk1 s LEU 38 Ca -0.03 -0.53 0.03 0.00 0.02 0.00 0.00 54.13 53.62 1gk1 s LEU 38 Cb -0.13 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.58 1gk1 s LEU 38 CO -0.03 0.09 -0.15 -0.69 0.02 0.00 0.00 176.35 175.59 1gk1 s VAL 39 N 0.78 1.30 0.16 -1.59 1.01 -1.26 -0.80 120.40 119.99 1gk1 s VAL 39 Ca -0.07 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1gk1 s VAL 39 Cb -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1gk1 s VAL 39 CO -0.00 0.39 0.07 -0.89 0.00 0.00 0.00 175.10 174.67 1gk1 s THR 40 N 0.45 0.13 0.46 3.92 2.01 0.49 -5.01 115.64 118.10 1gk1 s THR 40 Ca -0.12 -1.94 0.20 0.00 0.31 0.00 0.00 61.69 60.14 1gk1 s THR 40 Cb -0.15 -2.19 0.24 0.00 0.01 0.00 0.00 72.50 70.41 1gk1 s THR 40 CO 0.04 -0.33 2.06 -0.65 -0.69 0.00 0.00 174.62 175.05 1gk1 h PRO 41 N 2.77 0.00 0.00 4.92 0.11 -2.06 -3.08 132.00 134.66 1gk1 h PRO 41 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1gk1 h PRO 41 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gk1 h PRO 41 CO 0.58 0.13 -1.11 -0.25 -0.21 0.00 0.00 178.00 177.14 1gk1 n ASP 42 N -4.07 0.79 -3.60 -2.05 8.00 -1.26 -5.04 116.55 109.32 1gk1 n ASP 42 Ca -0.02 -0.74 -0.07 0.00 0.71 0.00 0.00 54.79 54.67 1gk1 n ASP 42 Cb 0.22 1.08 -0.02 0.00 -0.02 0.00 0.00 41.12 42.38 1gk1 n ASP 42 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gk1 s PHE 43 N -3.09 -0.29 -0.06 1.24 -0.12 -1.17 -5.16 117.98 109.33 1gk1 s PHE 43 Ca 0.06 0.07 -0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1gk1 s PHE 43 Cb 0.16 0.58 0.04 0.00 -0.63 0.00 0.00 43.02 43.17 1gk1 s PHE 43 CO 0.86 -0.71 0.15 -2.00 -0.05 0.00 0.00 175.22 173.47 1gk1 s GLU 44 N -3.29 0.10 -0.01 1.99 2.12 -1.26 -0.38 118.70 117.98 1gk1 s GLU 44 Ca 0.07 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.77 1gk1 s GLU 44 Cb -0.01 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.23 1gk1 s GLU 44 CO -0.05 -0.15 -0.02 0.42 -0.54 0.00 0.00 175.26 174.92 1gk1 s ILE 45 N 1.05 0.23 0.01 -3.70 1.01 0.02 -4.68 121.20 115.14 1gk1 s ILE 45 Ca -0.08 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1gk1 s ILE 45 Cb -0.10 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.13 1gk1 s ILE 45 CO -0.05 0.09 -0.11 -0.47 0.00 0.00 0.00 174.94 174.39 1gk1 s TYR 46 N 0.16 0.98 -5.00 3.97 6.14 -0.45 -0.15 117.35 123.00 1gk1 s TYR 46 Ca -0.01 -0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.43 1gk1 s TYR 46 Cb -0.04 -0.61 0.00 0.00 0.42 0.00 0.00 41.96 41.73 1gk1 s TYR 46 CO -0.00 -0.00 0.00 0.41 0.64 0.00 0.00 175.55 176.59 1gk1 n GLY 47 N 2.36 -0.27 3.60 8.97 0.00 -0.69 -0.89 105.19 118.28 1gk1 n GLY 47 Ca -0.16 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 1gk1 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk1 s ALA 48 N -1.00 3.05 0.08 4.61 0.00 -0.50 -1.37 121.76 126.63 1gk1 s ALA 48 Ca 0.00 -1.62 -0.26 0.00 0.00 0.00 0.00 51.96 50.08 1gk1 s ALA 48 Cb 0.00 -0.71 0.08 0.00 0.00 0.00 0.00 23.12 22.49 1gk1 s ALA 48 CO 0.00 0.33 0.79 -0.08 0.00 0.00 0.00 175.76 176.80 1gk1 s THR 49 N -2.14 0.00 0.33 0.00 -1.32 -0.91 -1.35 115.64 110.25 1gk1 s THR 49 Ca 0.29 -0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.37 1gk1 s THR 49 Cb -0.07 -1.15 -0.10 0.00 -1.51 0.00 0.00 72.50 69.67 1gk1 s THR 49 CO 0.18 0.00 1.20 -1.10 -2.21 0.00 0.00 174.62 172.69 1gk1 s GLN 50 N -3.40 4.38 0.43 7.08 1.11 -1.26 -0.61 119.66 127.39 1gk1 s GLN 50 Ca 0.05 1.98 -0.25 0.00 0.01 0.00 0.00 55.36 57.14 1gk1 s GLN 50 Cb -0.01 -3.01 -0.10 0.00 -1.01 0.00 0.00 33.01 28.88 1gk1 s GLN 50 CO -0.08 -0.08 1.19 0.44 0.01 0.00 0.00 175.29 176.77 1gk1 n ILE 51 N 0.75 2.60 0.00 1.08 -5.35 -0.61 -1.93 119.36 115.90 1gk1 n ILE 51 Ca 0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1gk1 n ILE 51 Cb 0.44 -1.44 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 1gk1 n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gk1 n GLY 52 N 0.93 2.98 3.74 3.28 0.00 -1.26 -4.98 105.19 109.88 1gk1 n GLY 52 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1gk1 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gk1 s LEU 53 N 0.00 4.38 0.00 0.99 1.02 -0.81 -4.97 118.68 119.28 1gk1 s LEU 53 Ca 0.00 1.23 0.28 0.00 0.02 0.00 0.00 54.13 55.66 1gk1 s LEU 53 Cb 0.00 -3.06 1.11 0.00 0.02 0.00 0.00 46.19 44.26 1gk1 s LEU 53 CO 0.00 -0.01 1.80 -0.81 0.02 0.00 0.00 176.35 177.35 1gk1 n PRO 54 N 3.21 0.43 -4.76 1.29 -0.04 -1.26 -4.85 135.00 129.01 1gk1 n PRO 54 Ca -0.03 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.00 1gk1 n PRO 54 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 1gk1 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gk1 s VAL 55 N -2.67 1.96 -0.29 0.52 -7.23 -1.26 -5.11 120.40 106.32 1gk1 s VAL 55 Ca 0.23 -1.34 -0.26 0.00 -1.81 0.00 0.00 61.98 58.79 1gk1 s VAL 55 Cb 0.19 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1gk1 s VAL 55 CO 0.52 0.28 0.91 -0.63 -0.31 0.00 0.00 175.10 175.87 1gk1 s ILE 56 N -0.83 4.70 0.04 -0.62 1.01 -1.26 -4.83 121.20 119.41 1gk1 s ILE 56 Ca 0.10 1.52 -0.00 0.00 0.00 0.00 0.00 60.65 62.27 1gk1 s ILE 56 Cb -0.10 -4.24 -0.26 0.00 0.01 0.00 0.00 42.46 37.87 1gk1 s ILE 56 CO 0.02 -0.28 0.98 0.03 0.00 0.00 0.00 174.94 175.70 1gk1 h ARG 57 N 7.95 0.19 -3.47 2.79 3.08 -1.93 -3.38 114.38 119.61 1gk1 h ARG 57 Ca -0.22 -0.33 -0.73 0.00 0.07 0.00 0.00 59.98 58.76 1gk1 h ARG 57 Cb 1.08 0.12 -0.33 0.00 0.08 0.00 0.00 29.97 30.93 1gk1 h ARG 57 CO 0.94 1.07 0.00 -0.06 -1.07 0.00 0.00 179.97 180.85 1gk1 s PHE 58 N -2.64 3.88 0.28 3.04 0.40 -0.46 -4.59 117.98 117.89 1gk1 s PHE 58 Ca -0.06 -2.78 0.12 0.00 -0.60 0.00 0.00 56.93 53.61 1gk1 s PHE 58 Cb 0.07 -3.43 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 1gk1 s PHE 58 CO 0.85 -0.83 -0.18 0.00 0.70 0.00 0.00 175.22 175.76 1gk1 s ALA 59 N -0.94 2.79 0.07 5.36 0.00 -1.24 -1.40 121.76 126.40 1gk1 s ALA 59 Ca 0.25 -1.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.10 1gk1 s ALA 59 Cb -0.10 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.79 1gk1 s ALA 59 CO -0.10 0.28 0.74 -0.59 0.00 0.00 0.00 175.76 176.10 1gk1 s PHE 60 N -2.48 -0.45 0.00 0.00 -0.12 -0.07 -1.04 117.98 113.81 1gk1 s PHE 60 Ca 0.30 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.50 1gk1 s PHE 60 Cb -0.05 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1gk1 s PHE 60 CO 0.15 -0.69 0.00 0.27 -0.05 0.00 0.00 175.22 174.90 1gk1 n ASN 61 N -0.23 0.00 0.16 1.98 0.23 -0.14 -1.34 115.26 115.92 1gk1 n ASN 61 Ca -0.13 -0.22 0.12 0.00 -0.53 0.00 0.00 54.58 53.82 1gk1 n ASN 61 Cb 0.63 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.90 1gk1 n ASN 61 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1gk1 h GLN 62 N 0.00 0.00 0.00 -3.83 1.08 -1.99 -3.32 115.11 107.05 1gk1 h GLN 62 Ca 0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 1gk1 h GLN 62 Cb 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1gk1 h GLN 62 CO 0.00 0.00 -1.51 -2.13 -0.95 0.00 0.00 178.83 174.24 1gk1 n ARG 63 N -2.33 1.35 -4.08 1.46 0.63 -1.26 -4.74 116.66 107.69 1gk1 n ARG 63 Ca 0.00 0.03 -0.15 0.00 -0.92 0.00 0.00 57.85 56.81 1gk1 n ARG 63 Cb 0.15 -1.18 -0.03 0.00 0.45 0.00 0.00 32.46 31.84 1gk1 n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gk1 s MET 64 N -2.18 1.98 -0.11 -0.14 0.23 -1.25 -0.30 119.30 117.53 1gk1 s MET 64 Ca -0.09 -1.79 -0.30 0.00 -1.03 0.00 0.00 55.69 52.48 1gk1 s MET 64 Cb 0.03 0.46 0.12 0.00 -1.53 0.00 0.00 34.83 33.90 1gk1 s MET 64 CO 0.25 -0.83 0.98 0.20 -2.03 0.00 0.00 175.02 173.58 1gk1 s GLY 65 N -3.25 -0.33 0.19 3.16 0.00 -0.35 -0.96 107.32 105.78 1gk1 s GLY 65 Ca 0.30 1.68 -0.00 0.00 0.00 0.00 0.00 44.72 46.70 1gk1 s GLY 65 CO 0.21 0.78 0.09 -0.26 0.00 0.00 0.00 173.10 173.92 1gk1 s ILE 66 N -1.83 0.23 0.11 0.90 -4.36 -0.21 -2.02 121.20 114.02 1gk1 s ILE 66 Ca 0.01 -1.97 -0.15 0.00 -0.26 0.00 0.00 60.65 58.28 1gk1 s ILE 66 Cb -0.01 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.38 1gk1 s ILE 66 CO -0.02 -0.19 0.36 0.28 0.24 0.00 0.00 174.94 175.61 1gk1 s THR 67 N -3.98 0.08 0.11 8.37 -1.32 -0.49 -3.66 115.64 114.76 1gk1 s THR 67 Ca 0.33 -0.67 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 1gk1 s THR 67 Cb 0.07 -1.16 -0.04 0.00 -1.51 0.00 0.00 72.50 69.87 1gk1 s THR 67 CO 0.08 -0.37 -0.15 0.20 -2.21 0.00 0.00 174.62 172.18 1gk1 s ASN 68 N -2.69 2.03 0.05 8.08 -0.87 -1.26 -1.54 114.94 118.75 1gk1 s ASN 68 Ca 0.02 -0.76 -0.02 0.00 -1.57 0.00 0.00 52.86 50.54 1gk1 s ASN 68 Cb 0.02 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 41.13 1gk1 s ASN 68 CO -0.10 -0.10 -0.01 0.42 -2.57 0.00 0.00 177.10 174.74 1gk1 s THR 69 N -1.83 0.21 -0.02 1.60 -4.23 -0.92 -4.65 115.64 105.80 1gk1 s THR 69 Ca 0.07 -1.76 -0.29 0.00 -1.18 0.00 0.00 61.69 58.52 1gk1 s THR 69 Cb -0.07 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1gk1 s THR 69 CO 0.03 -0.96 0.95 -0.69 -0.54 0.00 0.00 174.62 173.41 1gk1 s VAL 70 N -3.92 4.88 -0.47 2.29 1.01 -1.26 -0.75 120.40 122.19 1gk1 s VAL 70 Ca 0.07 1.98 0.08 0.00 0.00 0.00 0.00 61.98 64.11 1gk1 s VAL 70 Cb 0.08 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1gk1 s VAL 70 CO -0.10 0.15 0.39 -0.46 0.00 0.00 0.00 175.10 175.08 1gk1 n ASN 71 N 4.03 0.56 -2.98 3.32 6.94 -1.26 -4.50 115.26 121.37 1gk1 n ASN 71 Ca 0.05 -0.78 -0.21 0.00 -0.02 0.00 0.00 54.58 53.62 1gk1 n ASN 71 Cb 0.51 0.85 0.04 0.00 -2.36 0.00 0.00 39.78 38.83 1gk1 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1gk1 n GLY 72 N 1.08 -0.45 3.68 4.83 0.00 -1.26 -4.87 105.19 108.20 1gk1 n GLY 72 Ca 0.02 0.11 -0.58 0.00 0.00 0.00 0.00 46.02 45.56 1gk1 n GLY 72 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1gk1 n MET 73 N -4.06 0.91 -2.69 1.61 0.00 -1.26 -4.81 117.12 106.82 1gk1 n MET 73 Ca -0.08 0.33 -0.43 0.00 0.00 0.00 0.00 57.70 57.53 1gk1 n MET 73 Cb 0.60 -1.97 -0.01 0.00 0.00 0.00 0.00 33.22 31.84 1gk1 n MET 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1gk1 s VAL 74 N 2.66 4.35 -1.62 1.12 1.01 -1.26 -4.74 120.40 121.92 1gk1 s VAL 74 Ca 0.96 -1.85 0.20 0.00 0.00 0.00 0.00 61.98 61.30 1gk1 s VAL 74 Cb -1.12 -5.07 0.68 0.00 0.00 0.00 0.00 36.38 30.86 1gk1 s VAL 74 CO 0.64 -1.87 1.58 0.61 0.00 0.00 0.00 175.10 176.05 1gk1 n GLY 75 N 5.38 2.53 2.98 4.51 0.00 -1.26 -4.69 105.19 114.64 1gk1 n GLY 75 Ca 0.41 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1gk1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk1 s ALA 76 N -1.40 0.30 -0.04 4.61 0.00 -1.26 -0.33 121.76 123.64 1gk1 s ALA 76 Ca 0.50 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1gk1 s ALA 76 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 1gk1 s ALA 76 CO 0.29 -0.03 -0.20 0.99 0.00 0.00 0.00 175.76 176.81 1gk1 s THR 77 N -0.91 1.60 -0.29 0.00 2.01 -0.02 -4.97 115.64 113.07 1gk1 s THR 77 Ca -0.08 -0.83 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 1gk1 s THR 77 Cb -0.07 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 1gk1 s THR 77 CO -0.00 0.46 0.13 0.20 -0.69 0.00 0.00 174.62 174.71 1gk1 s ASN 78 N -0.12 5.46 -0.14 3.53 0.01 -1.26 -1.20 114.94 121.21 1gk1 s ASN 78 Ca -0.01 -0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 51.70 1gk1 s ASN 78 Cb -0.11 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.53 1gk1 s ASN 78 CO 0.02 -0.13 0.04 -0.31 -1.51 0.00 0.00 177.10 175.20 1gk1 s TYR 79 N 1.62 3.23 -0.28 2.20 1.51 -0.17 -1.09 117.35 124.37 1gk1 s TYR 79 Ca 0.05 0.11 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1gk1 s TYR 79 Cb -0.16 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1gk1 s TYR 79 CO 0.06 0.29 0.83 0.50 -1.11 0.00 0.00 175.55 176.13 1gk1 s ARG 80 N -0.18 4.06 0.31 -0.62 3.52 0.09 -1.43 118.95 124.69 1gk1 s ARG 80 Ca 0.06 0.77 -0.05 0.00 -0.13 0.00 0.00 55.73 56.39 1gk1 s ARG 80 Cb -0.12 -3.70 -0.05 0.00 -1.56 0.00 0.00 34.95 29.52 1gk1 s ARG 80 CO 0.02 -0.64 0.58 -0.51 -0.81 0.00 0.00 175.30 173.94 1gk1 s LEU 81 N 2.99 4.02 -0.37 -0.88 1.43 -0.61 -0.11 118.68 125.15 1gk1 s LEU 81 Ca 0.35 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1gk1 s LEU 81 Cb -0.14 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.60 1gk1 s LEU 81 CO 0.11 -0.24 0.14 -0.89 0.23 0.00 0.00 176.35 175.70 1gk1 s THR 82 N -2.16 3.33 0.22 5.49 2.01 -1.26 -4.65 115.64 118.62 1gk1 s THR 82 Ca 0.44 -1.71 -0.30 0.00 0.31 0.00 0.00 61.69 60.43 1gk1 s THR 82 Cb -0.11 -3.12 -0.08 0.00 0.01 0.00 0.00 72.50 69.20 1gk1 s THR 82 CO 0.31 -0.46 0.99 -0.76 -0.69 0.00 0.00 174.62 174.02 1gk1 s LEU 83 N 1.22 4.59 -0.28 4.42 1.43 -1.26 0.04 118.68 128.84 1gk1 s LEU 83 Ca 0.03 2.01 -0.19 0.00 -1.03 0.00 0.00 54.13 54.95 1gk1 s LEU 83 Cb -0.22 -3.61 0.12 0.00 0.03 0.00 0.00 46.19 42.51 1gk1 s LEU 83 CO -0.02 0.02 0.90 -1.58 0.23 0.00 0.00 176.35 175.90 1gk1 s GLN 84 N -0.97 0.52 -1.55 1.70 0.74 -0.40 -4.87 119.66 114.83 1gk1 s GLN 84 Ca 0.43 0.81 -0.12 0.00 0.05 0.00 0.00 55.36 56.54 1gk1 s GLN 84 Cb -0.27 0.15 0.09 0.00 1.10 0.00 0.00 33.01 34.08 1gk1 s GLN 84 CO 0.34 -0.09 0.80 -0.25 -0.55 0.00 0.00 175.29 175.53 1gk1 n ASP 85 N 3.46 -3.19 0.00 6.67 8.00 -1.26 -1.20 116.55 129.03 1gk1 n ASP 85 Ca -0.17 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.43 1gk1 n ASP 85 Cb 0.57 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 1gk1 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gk1 n GLY 86 N -1.63 0.94 0.00 0.44 0.00 -1.26 -4.96 105.19 98.72 1gk1 n GLY 86 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1gk1 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gk1 n GLY 87 N -2.12 5.39 3.08 -0.02 0.00 -0.34 -4.53 105.19 106.65 1gk1 n GLY 87 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 1gk1 n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1gk1 s TYR 88 N 1.09 0.78 0.03 1.61 1.13 -0.01 -1.27 117.35 120.70 1gk1 s TYR 88 Ca 0.00 -0.50 -0.30 0.00 -1.41 0.00 0.00 57.07 54.86 1gk1 s TYR 88 Cb 0.00 -0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 40.36 1gk1 s TYR 88 CO 0.00 -0.06 1.05 -0.51 -2.51 0.00 0.00 175.55 173.52 1gk1 s LEU 89 N -1.64 4.38 -0.20 -3.49 1.43 0.11 -0.21 118.68 119.06 1gk1 s LEU 89 Ca -0.08 1.79 -0.04 0.00 -1.03 0.00 0.00 54.13 54.78 1gk1 s LEU 89 Cb -0.10 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.65 1gk1 s LEU 89 CO 0.01 -0.32 0.28 -0.47 0.23 0.00 0.00 176.35 176.08 1gk1 s TYR 90 N 0.94 -0.49 -1.41 0.29 5.04 0.51 -4.05 117.35 118.17 1gk1 s TYR 90 Ca 0.54 0.60 -0.08 0.00 -2.44 0.00 0.00 57.07 55.69 1gk1 s TYR 90 Cb -0.24 -0.16 0.04 0.00 0.35 0.00 0.00 41.96 41.95 1gk1 s TYR 90 CO 0.29 -0.59 0.93 -0.25 -1.34 0.00 0.00 175.55 174.60 1gk1 n ASP 91 N 5.34 -3.74 0.00 4.32 8.00 -0.69 -1.70 116.55 128.08 1gk1 n ASP 91 Ca -0.05 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1gk1 n ASP 91 Cb 0.50 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.36 1gk1 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gk1 n GLY 92 N -1.67 0.85 3.28 0.44 0.00 -1.26 -5.02 105.19 101.82 1gk1 n GLY 92 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 1gk1 n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gk1 s GLN 93 N -0.12 1.31 -0.29 1.61 -0.21 -0.69 -5.10 119.66 116.17 1gk1 s GLN 93 Ca 0.00 -1.08 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 1gk1 s GLN 93 Cb 0.00 -1.53 0.01 0.00 1.00 0.00 0.00 33.01 32.50 1gk1 s GLN 93 CO 0.00 0.37 1.07 0.08 -2.12 0.00 0.00 175.29 174.70 1gk1 s VAL 94 N -0.97 4.54 -0.01 1.09 1.01 -1.26 -0.37 120.40 124.44 1gk1 s VAL 94 Ca 0.08 1.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 1gk1 s VAL 94 Cb -0.09 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1gk1 s VAL 94 CO 0.03 -0.39 0.11 -0.13 0.00 0.00 0.00 175.10 174.72 1gk1 s ARG 95 N 3.54 3.17 0.29 2.72 1.81 0.71 -4.88 118.95 126.31 1gk1 s ARG 95 Ca 0.45 -0.44 -0.16 0.00 -1.72 0.00 0.00 55.73 53.87 1gk1 s ARG 95 Cb -0.13 -2.93 -0.09 0.00 -0.45 0.00 0.00 34.95 31.35 1gk1 s ARG 95 CO 0.13 0.66 0.72 -1.25 -0.68 0.00 0.00 175.30 174.87 1gk1 s PRO 96 N -1.79 4.06 0.55 3.54 0.04 -1.26 -0.83 135.00 139.30 1gk1 s PRO 96 Ca 0.24 0.69 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 1gk1 s PRO 96 Cb -0.12 -2.57 -0.06 0.00 0.04 0.00 0.00 34.50 31.78 1gk1 s PRO 96 CO 0.15 0.24 1.01 -0.06 0.04 0.00 0.00 177.00 178.38 1gk1 s PHE 97 N -1.84 3.35 -0.22 0.56 0.08 -1.26 -4.91 117.98 113.74 1gk1 s PHE 97 Ca 0.50 1.46 -0.13 0.00 0.12 0.00 0.00 56.93 58.88 1gk1 s PHE 97 Cb -0.12 -2.84 -0.04 0.00 -0.57 0.00 0.00 43.02 39.45 1gk1 s PHE 97 CO 0.19 -0.60 0.28 -2.00 -0.10 0.00 0.00 175.22 172.99 1gk1 s GLU 98 N -4.20 4.12 0.03 0.44 2.12 -0.03 -4.89 118.70 116.29 1gk1 s GLU 98 Ca 0.60 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.93 1gk1 s GLU 98 Cb -0.12 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1gk1 s GLU 98 CO 0.35 0.00 -0.08 1.03 -0.54 0.00 0.00 175.26 176.03 1gk1 s ARG 99 N 1.21 2.46 -0.03 4.30 0.52 -1.26 -1.10 118.95 125.05 1gk1 s ARG 99 Ca 0.13 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 1gk1 s ARG 99 Cb -0.14 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 32.90 1gk1 s ARG 99 CO 0.06 0.58 -0.02 1.03 0.02 0.00 0.00 175.30 176.97 1gk1 s ARG 100 N -1.59 0.43 -0.43 3.54 1.81 0.07 -4.98 118.95 117.80 1gk1 s ARG 100 Ca 0.18 -0.01 -0.13 0.00 -1.72 0.00 0.00 55.73 54.05 1gk1 s ARG 100 Cb -0.11 -0.53 0.05 0.00 -0.45 0.00 0.00 34.95 33.91 1gk1 s ARG 100 CO 0.09 -0.08 0.31 -0.65 -0.68 0.00 0.00 175.30 174.29 1gk1 s GLN 101 N 0.78 2.88 0.49 3.54 -1.52 -1.26 0.22 119.66 124.79 1gk1 s GLN 101 Ca -0.09 -1.23 0.05 0.00 -1.95 0.00 0.00 55.36 52.15 1gk1 s GLN 101 Cb -0.12 -3.96 -0.01 0.00 -0.22 0.00 0.00 33.01 28.71 1gk1 s GLN 101 CO -0.01 -0.88 0.25 0.00 -0.25 0.00 0.00 175.29 174.41 1gk1 s ALA 102 N 1.60 4.06 0.11 6.09 0.00 0.23 -4.97 121.76 128.89 1gk1 s ALA 102 Ca 0.04 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.41 1gk1 s ALA 102 Cb -0.22 -0.49 0.03 0.00 0.00 0.00 0.00 23.12 22.44 1gk1 s ALA 102 CO 0.07 -0.26 0.37 0.45 0.00 0.00 0.00 175.76 176.39 1gk1 s SER 103 N -4.07 -0.19 0.12 0.00 0.15 -1.26 0.48 113.70 108.92 1gk1 s SER 103 Ca 0.32 -0.34 -0.23 0.00 0.70 0.00 0.00 55.95 56.40 1gk1 s SER 103 Cb 0.01 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.83 1gk1 s SER 103 CO 0.19 -0.82 0.59 -0.72 1.20 0.00 0.00 173.24 173.67 1gk1 s TYR 104 N -3.71 -0.52 0.12 3.44 -0.85 -0.69 -4.91 117.35 110.23 1gk1 s TYR 104 Ca 0.03 0.41 -0.03 0.00 -0.52 0.00 0.00 57.07 56.96 1gk1 s TYR 104 Cb 0.02 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.80 1gk1 s TYR 104 CO -0.11 -0.78 0.32 1.03 -1.52 0.00 0.00 175.55 174.49 1gk1 s ARG 105 N -3.28 3.56 -0.16 -3.49 0.52 -1.26 -0.65 118.95 114.19 1gk1 s ARG 105 Ca -0.01 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1gk1 s ARG 105 Cb -0.01 -2.91 0.02 0.00 0.52 0.00 0.00 34.95 32.58 1gk1 s ARG 105 CO -0.09 0.51 -0.15 -1.17 0.02 0.00 0.00 175.30 174.43 1gk1 s LEU 106 N -2.63 1.79 0.24 2.53 2.96 0.08 -4.94 118.68 118.72 1gk1 s LEU 106 Ca 0.39 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 53.46 1gk1 s LEU 106 Cb -0.12 -1.22 -0.10 0.00 0.50 0.00 0.00 46.19 45.24 1gk1 s LEU 106 CO 0.26 -0.06 1.43 -0.60 -1.32 0.00 0.00 176.35 176.06 1gk1 s ARG 107 N 1.45 4.28 0.46 1.98 6.06 -1.26 -1.51 118.95 130.41 1gk1 s ARG 107 Ca 0.05 2.28 -0.00 0.00 -2.50 0.00 0.00 55.73 55.55 1gk1 s ARG 107 Cb -0.13 -3.12 -0.00 0.00 0.06 0.00 0.00 34.95 31.76 1gk1 s ARG 107 CO -0.11 -0.40 0.69 -0.65 -2.50 0.00 0.00 175.30 172.33 1gk1 s GLN 108 N -0.33 3.05 0.34 5.12 -1.52 0.81 -4.94 119.66 122.20 1gk1 s GLN 108 Ca 0.59 -0.46 0.02 0.00 -1.95 0.00 0.00 55.36 53.57 1gk1 s GLN 108 Cb -0.41 -2.54 0.62 0.00 -0.22 0.00 0.00 33.01 30.46 1gk1 s GLN 108 CO 0.43 -0.31 2.00 0.00 -0.25 0.00 0.00 175.29 177.15 1gk1 h ALA 109 N 0.35 1.55 0.00 6.09 0.00 -1.95 -0.45 119.26 124.85 1gk1 h ALA 109 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1gk1 h ALA 109 Cb 1.25 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1gk1 h ALA 109 CO 0.57 0.41 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 1gk1 n ASP 110 N -4.44 0.00 0.00 0.00 5.75 -1.26 -4.86 116.55 111.74 1gk1 n ASP 110 Ca 0.07 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1gk1 n ASP 110 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1gk1 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gk1 n GLY 111 N 0.61 1.12 3.96 6.12 0.00 -0.18 -5.05 105.19 111.77 1gk1 n GLY 111 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1gk1 n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gk1 s THR 112 N -2.55 2.26 0.16 2.61 -4.23 -1.26 -4.69 115.64 107.94 1gk1 s THR 112 Ca 0.00 -0.41 0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1gk1 s THR 112 Cb 0.00 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1gk1 s THR 112 CO 0.00 0.00 -0.16 0.42 -0.54 0.00 0.00 174.62 174.34 1gk1 s THR 113 N -3.21 1.61 0.13 3.99 -4.23 -1.26 0.28 115.64 112.94 1gk1 s THR 113 Ca 0.64 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.32 1gk1 s THR 113 Cb -0.08 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 1gk1 s THR 113 CO 0.45 -0.42 -0.19 0.68 -0.54 0.00 0.00 174.62 174.59 1gk1 s VAL 114 N -2.31 1.74 -0.17 2.29 -7.23 -0.57 -4.92 120.40 109.22 1gk1 s VAL 114 Ca 0.15 -1.70 -0.16 0.00 -1.81 0.00 0.00 61.98 58.46 1gk1 s VAL 114 Cb -0.04 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 1gk1 s VAL 114 CO 0.05 -0.18 0.38 -1.81 -0.31 0.00 0.00 175.10 173.23 1gk1 s ASP 115 N -2.24 6.49 -0.15 4.85 1.01 -1.26 -0.74 116.67 124.63 1gk1 s ASP 115 Ca 0.10 0.57 0.01 0.00 0.71 0.00 0.00 52.55 53.94 1gk1 s ASP 115 Cb -0.08 -2.23 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 1gk1 s ASP 115 CO 0.05 -0.01 -0.16 -0.54 0.21 0.00 0.00 175.17 174.72 1gk1 s LYS 116 N 0.93 3.20 0.50 8.23 1.02 0.17 -4.98 119.74 128.82 1gk1 s LYS 116 Ca 0.20 -0.76 -0.19 0.00 0.02 0.00 0.00 55.97 55.24 1gk1 s LYS 116 Cb -0.14 -2.59 -0.08 0.00 -0.52 0.00 0.00 37.83 34.50 1gk1 s LYS 116 CO 0.07 0.03 1.02 -1.25 -0.92 0.00 0.00 175.35 174.31 1gk1 s PRO 117 N 0.76 3.77 -0.14 -1.68 0.04 -1.26 -1.71 135.00 134.78 1gk1 s PRO 117 Ca -0.06 1.25 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 1gk1 s PRO 117 Cb -0.15 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.35 1gk1 s PRO 117 CO 0.01 -0.44 0.15 -1.17 0.04 0.00 0.00 177.00 175.59 1gk1 s LEU 118 N -3.72 0.05 -0.10 -3.56 2.96 0.18 -4.90 118.68 109.57 1gk1 s LEU 118 Ca 0.65 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 54.26 1gk1 s LEU 118 Cb -0.15 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.63 1gk1 s LEU 118 CO 0.24 -0.30 0.49 -0.70 -1.32 0.00 0.00 176.35 174.75 1gk1 s GLU 119 N 2.25 4.32 -0.30 1.98 2.12 -1.26 0.76 118.70 128.57 1gk1 s GLU 119 Ca 0.04 0.48 -0.05 0.00 0.36 0.00 0.00 54.97 55.79 1gk1 s GLU 119 Cb -0.14 -3.42 0.03 0.00 0.26 0.00 0.00 34.13 30.85 1gk1 s GLU 119 CO -0.08 0.20 0.06 0.42 -0.54 0.00 0.00 175.26 175.31 1gk1 s ILE 120 N 0.49 3.65 0.02 -3.70 1.01 0.13 -4.95 121.20 117.84 1gk1 s ILE 120 Ca 0.26 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.98 1gk1 s ILE 120 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 1gk1 s ILE 120 CO 0.11 -0.01 -0.01 -0.13 0.00 0.00 0.00 174.94 174.91 1gk1 s ARG 121 N 1.42 2.72 -0.00 2.79 0.52 -1.26 -0.75 118.95 124.39 1gk1 s ARG 121 Ca 0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1gk1 s ARG 121 Cb -0.18 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1gk1 s ARG 121 CO 0.01 0.61 0.00 -1.12 0.02 0.00 0.00 175.30 174.82 1gk1 s SER 122 N -1.68 0.05 0.29 0.23 0.01 -0.25 -0.69 113.70 111.66 1gk1 s SER 122 Ca 0.20 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.51 1gk1 s SER 122 Cb -0.11 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.14 1gk1 s SER 122 CO 0.11 -0.02 0.38 -1.54 0.41 0.00 0.00 173.24 172.59 1gk1 n SER 123 N 3.26 1.11 0.27 2.44 3.41 -0.71 -0.85 113.62 122.55 1gk1 n SER 123 Ca -0.15 -1.77 0.14 0.00 -0.26 0.00 0.00 58.87 56.83 1gk1 n SER 123 Cb 0.58 -0.19 0.77 0.00 -0.26 0.00 0.00 64.21 65.10 1gk1 n SER 123 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1gk1 h VAL 124 N 0.09 0.46 -0.03 -3.33 3.04 -1.98 -2.87 116.25 111.63 1gk1 h VAL 124 Ca -0.14 -0.48 -0.05 0.00 -1.01 0.00 0.00 66.70 65.02 1gk1 h VAL 124 Cb 0.62 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1gk1 h VAL 124 CO 0.20 0.09 -0.16 0.45 -1.01 0.00 0.00 177.57 177.14 1gk1 h HIS 125 N 0.00 0.22 0.00 3.17 3.86 -1.95 -3.50 115.15 116.95 1gk1 h HIS 125 Ca -0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1gk1 h HIS 125 Cb 0.32 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1gk1 h HIS 125 CO 0.00 0.81 0.00 0.41 0.86 0.00 0.00 177.93 180.01 1gk1 n GLY 126 N 0.73 -0.74 3.67 2.45 0.00 -1.08 -4.32 105.19 105.88 1gk1 n GLY 126 Ca -0.09 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 1gk1 n GLY 126 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gk1 n PRO 127 N 0.00 1.78 -4.22 1.61 -0.02 -1.24 -1.75 135.00 131.16 1gk1 n PRO 127 Ca 0.00 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 1gk1 n PRO 127 Cb 0.00 -2.22 -0.11 0.00 -0.02 0.00 0.00 33.50 31.14 1gk1 n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gk1 s VAL 128 N -1.17 4.18 0.04 -1.45 1.01 0.14 -1.19 120.40 121.95 1gk1 s VAL 128 Ca 0.60 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.42 1gk1 s VAL 128 Cb -0.56 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 1gk1 s VAL 128 CO 0.59 0.47 -0.25 -0.36 0.00 0.00 0.00 175.10 175.55 1gk1 s PHE 129 N 0.48 2.22 -0.17 5.22 0.40 0.26 -4.67 117.98 121.73 1gk1 s PHE 129 Ca -0.01 -0.41 -0.07 0.00 -0.60 0.00 0.00 56.93 55.85 1gk1 s PHE 129 Cb -0.14 -1.34 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1gk1 s PHE 129 CO 0.02 0.10 0.05 -2.00 0.70 0.00 0.00 175.22 174.09 1gk1 s GLU 130 N -1.16 3.84 0.71 0.44 2.12 -1.26 0.24 118.70 123.63 1gk1 s GLU 130 Ca 0.11 -0.35 -0.06 0.00 0.36 0.00 0.00 54.97 55.02 1gk1 s GLU 130 Cb -0.10 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.21 1gk1 s GLU 130 CO 0.02 0.34 1.02 1.03 -0.54 0.00 0.00 175.26 177.13 1gk1 s ARG 131 N 0.17 2.11 0.16 4.30 0.52 0.14 -4.94 118.95 121.41 1gk1 s ARG 131 Ca 0.04 -0.32 -0.16 0.00 -0.52 0.00 0.00 55.73 54.77 1gk1 s ARG 131 Cb -0.12 -2.17 0.06 0.00 0.52 0.00 0.00 34.95 33.24 1gk1 s ARG 131 CO 0.01 -1.28 1.76 0.00 0.02 0.00 0.00 175.30 175.80 1gk1 h ALA 132 N -0.62 0.44 0.00 2.13 0.00 -1.99 -0.61 119.26 118.62 1gk1 h ALA 132 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1gk1 h ALA 132 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1gk1 h ALA 132 CO 0.58 -0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.19 1gk1 n ASP 133 N -4.99 0.00 0.00 0.00 5.68 -1.26 -4.82 116.55 111.15 1gk1 n ASP 133 Ca 0.01 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 1gk1 n ASP 133 Cb 0.12 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1gk1 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gk1 n GLY 134 N -0.25 0.90 3.69 6.12 0.00 -0.23 -5.04 105.19 110.38 1gk1 n GLY 134 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1gk1 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gk1 s THR 135 N -2.24 2.48 -0.19 2.61 2.01 -1.26 -4.62 115.64 114.44 1gk1 s THR 135 Ca 0.00 0.06 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 1gk1 s THR 135 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 1gk1 s THR 135 CO 0.00 0.00 0.67 0.00 -0.69 0.00 0.00 174.62 174.60 1gk1 s ALA 136 N 2.54 3.54 -0.05 7.40 0.00 -1.26 -0.69 121.76 133.24 1gk1 s ALA 136 Ca 0.80 -0.21 0.06 0.00 0.00 0.00 0.00 51.96 52.61 1gk1 s ALA 136 Cb -0.46 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1gk1 s ALA 136 CO 0.36 -0.57 -0.23 0.08 0.00 0.00 0.00 175.76 175.39 1gk1 s VAL 137 N 1.94 1.91 -0.13 0.00 1.01 0.14 -1.57 120.40 123.70 1gk1 s VAL 137 Ca 0.31 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1gk1 s VAL 137 Cb -0.16 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1gk1 s VAL 137 CO 0.11 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.65 1gk1 s ALA 138 N -0.22 2.79 -0.23 5.51 0.00 -0.52 0.91 121.76 130.00 1gk1 s ALA 138 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 1gk1 s ALA 138 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.63 1gk1 s ALA 138 CO 0.02 0.27 0.07 0.08 0.00 0.00 0.00 175.76 176.20 1gk1 s VAL 139 N 0.25 4.55 -0.26 0.00 1.01 -0.33 -1.00 120.40 124.61 1gk1 s VAL 139 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1gk1 s VAL 139 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.14 1gk1 s VAL 139 CO 0.04 0.38 0.00 -0.60 0.00 0.00 0.00 175.10 174.92 1gk1 s ARG 140 N 1.16 3.06 -0.13 2.72 3.52 -0.34 -3.66 118.95 125.28 1gk1 s ARG 140 Ca 0.05 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.77 1gk1 s ARG 140 Cb -0.14 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1gk1 s ARG 140 CO 0.03 -0.37 -0.02 0.08 -0.81 0.00 0.00 175.30 174.22 1gk1 s VAL 141 N 1.43 4.12 0.52 7.11 1.01 -1.26 -0.84 120.40 132.49 1gk1 s VAL 141 Ca 0.02 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1gk1 s VAL 141 Cb -0.16 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.37 1gk1 s VAL 141 CO -0.01 0.54 0.98 0.00 0.00 0.00 0.00 175.10 176.61 1gk1 s ALA 142 N -0.19 3.08 -1.17 5.51 0.00 0.55 -4.27 121.76 125.27 1gk1 s ALA 142 Ca 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1gk1 s ALA 142 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1gk1 s ALA 142 CO 0.02 -0.27 0.13 0.41 0.00 0.00 0.00 175.76 176.06 1gk1 n GLY 143 N -1.67 -0.19 0.00 0.00 0.00 -1.26 -4.88 105.19 97.18 1gk1 n GLY 143 Ca 0.06 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.98 1gk1 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gk1 n LEU 144 N -2.29 0.00 -0.67 0.99 4.77 -1.26 -2.63 117.00 115.90 1gk1 n LEU 144 Ca -0.14 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 1gk1 n LEU 144 Cb 0.61 -0.01 0.20 0.00 -2.33 0.00 0.00 43.42 41.89 1gk1 n LEU 144 CO 0.24 -0.00 0.62 -0.90 -1.33 0.00 0.00 177.39 176.01 1gk1 n ASP 145 N -1.01 2.80 -4.01 -1.43 5.75 -1.26 -4.86 116.55 112.52 1gk1 n ASP 145 Ca 0.21 -3.34 -0.33 0.00 -0.01 0.00 0.00 54.79 51.32 1gk1 n ASP 145 Cb 0.10 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.56 1gk1 n ASP 145 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1gk1 s ARG 146 N -3.00 2.54 0.00 0.11 1.81 -1.08 -4.95 118.95 114.38 1gk1 s ARG 146 Ca 0.39 -2.92 0.29 0.00 -1.72 0.00 0.00 55.73 51.77 1gk1 s ARG 146 Cb 0.34 -3.60 1.22 0.00 -0.45 0.00 0.00 34.95 32.46 1gk1 s ARG 146 CO 0.03 -1.20 1.91 -0.35 -0.68 0.00 0.00 175.30 175.00 1gk1 n PRO 147 N 2.77 0.06 -0.65 3.54 -0.04 -1.26 -4.24 135.00 135.18 1gk1 n PRO 147 Ca 0.13 -0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1gk1 n PRO 147 Cb 0.35 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1gk1 n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gk1 n GLY 148 N 1.47 3.35 0.26 0.55 0.00 -1.26 -4.57 105.19 104.99 1gk1 n GLY 148 Ca 0.08 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1gk1 n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1gk1 h MET 149 N 0.59 -0.57 -0.69 1.61 4.05 -1.74 -0.41 114.93 117.78 1gk1 h MET 149 Ca 0.32 0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 1gk1 h MET 149 Cb 1.87 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 32.76 1gk1 h MET 149 CO 0.59 -0.38 0.41 -0.07 0.23 0.00 0.00 176.91 177.69 1gk1 h LEU 150 N -0.59 0.83 -0.95 3.39 3.38 -1.89 -2.66 115.31 116.82 1gk1 h LEU 150 Ca -0.06 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1gk1 h LEU 150 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1gk1 h LEU 150 CO 0.09 0.66 -0.40 -0.08 0.09 0.00 0.00 178.44 178.80 1gk1 h GLU 151 N 0.94 0.25 -0.38 1.13 4.81 -1.86 -2.14 114.58 117.33 1gk1 h GLU 151 Ca 0.25 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1gk1 h GLU 151 Cb -0.02 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1gk1 h GLU 151 CO -0.05 0.62 0.06 0.37 -0.73 0.00 0.00 179.01 179.28 1gk1 h GLN 152 N 0.21 0.63 -0.84 1.92 4.15 -0.75 0.15 115.11 120.59 1gk1 h GLN 152 Ca 0.02 -0.17 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 1gk1 h GLN 152 Cb 0.80 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 1gk1 h GLN 152 CO 0.06 0.69 0.44 1.88 -1.93 0.00 0.00 178.83 179.98 1gk1 h TYR 153 N 0.48 1.17 -0.44 3.99 0.05 -1.38 0.54 116.97 121.38 1gk1 h TYR 153 Ca 0.12 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 1gk1 h TYR 153 Cb 0.37 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1gk1 h TYR 153 CO 0.03 0.83 0.27 0.35 -1.05 0.00 0.00 178.16 178.58 1gk1 h PHE 154 N 1.18 0.59 0.00 4.88 3.57 -1.04 -0.92 116.94 125.19 1gk1 h PHE 154 Ca 0.29 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1gk1 h PHE 154 Cb 0.06 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1gk1 h PHE 154 CO 0.01 0.41 -0.32 -0.44 -2.23 0.00 0.00 178.31 175.74 1gk1 h ASP 155 N 0.59 0.00 0.18 0.41 3.32 -0.48 -2.72 116.42 117.73 1gk1 h ASP 155 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1gk1 h ASP 155 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1gk1 h ASP 155 CO -0.03 0.32 -0.09 0.24 -1.72 0.00 0.00 179.24 177.97 1gk1 h MET 156 N 0.00 -0.24 0.00 3.56 2.86 -0.35 -2.57 114.93 118.19 1gk1 h MET 156 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1gk1 h MET 156 Cb 0.74 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1gk1 h MET 156 CO 0.04 0.17 0.00 0.44 1.06 0.00 0.00 176.91 178.62 1gk1 n ILE 157 N -4.95 0.05 -0.02 -1.22 -5.35 -0.40 -2.28 119.36 105.19 1gk1 n ILE 157 Ca -0.08 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1gk1 n ILE 157 Cb 0.26 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 1gk1 n ILE 157 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1gk1 n THR 158 N -1.03 0.57 -1.76 7.28 5.66 -1.03 -4.91 114.28 119.05 1gk1 n THR 158 Ca 0.14 -0.77 -0.41 0.00 -3.05 0.00 0.00 64.05 59.96 1gk1 n THR 158 Cb 0.08 0.72 0.01 0.00 -1.55 0.00 0.00 70.33 69.59 1gk1 n THR 158 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gk1 n ALA 159 N -0.28 2.11 0.98 1.79 0.00 -0.97 -4.94 120.51 119.20 1gk1 n ALA 159 Ca 0.00 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.85 1gk1 n ALA 159 Cb 0.15 -2.39 0.27 0.00 0.00 0.00 0.00 19.45 17.47 1gk1 n ALA 159 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1gk1 n ASP 160 N 0.11 0.48 -3.73 0.00 8.00 -1.26 -4.93 116.55 115.21 1gk1 n ASP 160 Ca 0.04 -0.18 -0.09 0.00 0.71 0.00 0.00 54.79 55.26 1gk1 n ASP 160 Cb 0.40 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.68 1gk1 n ASP 160 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1gk1 s SER 161 N -3.06 -0.34 0.36 -2.24 1.04 -1.26 -5.02 113.70 103.19 1gk1 s SER 161 Ca 0.11 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1gk1 s SER 161 Cb 0.17 0.67 0.69 0.00 0.10 0.00 0.00 66.02 67.65 1gk1 s SER 161 CO 0.69 -1.20 1.96 0.15 0.98 0.00 0.00 173.24 175.82 1gk1 h PHE 162 N 2.04 0.58 -0.42 5.02 3.57 -1.99 -1.98 116.94 123.75 1gk1 h PHE 162 Ca -0.25 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 1gk1 h PHE 162 Cb 1.27 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1gk1 h PHE 162 CO 0.36 0.46 0.22 -0.44 -2.23 0.00 0.00 178.31 176.68 1gk1 h ASP 163 N 0.58 0.54 -0.41 0.41 3.32 -1.99 0.58 116.42 119.46 1gk1 h ASP 163 Ca 0.14 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1gk1 h ASP 163 Cb 0.13 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1gk1 h ASP 163 CO -0.01 0.50 -0.07 0.44 -1.72 0.00 0.00 179.24 178.37 1gk1 h ASP 164 N 0.54 0.82 -0.14 6.45 3.32 -1.86 -0.70 116.42 124.85 1gk1 h ASP 164 Ca 0.15 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1gk1 h ASP 164 Cb 0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1gk1 h ASP 164 CO -0.02 0.93 0.09 0.22 -1.72 0.00 0.00 179.24 178.74 1gk1 h TYR 165 N 0.77 0.18 -0.70 4.55 3.20 -1.01 -1.36 116.97 122.60 1gk1 h TYR 165 Ca 0.13 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 1gk1 h TYR 165 Cb 0.56 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1gk1 h TYR 165 CO 0.03 0.12 0.30 1.49 -1.64 0.00 0.00 178.16 178.46 1gk1 h GLU 166 N 0.19 1.02 -0.75 1.82 4.81 -0.64 0.08 114.58 121.11 1gk1 h GLU 166 Ca 0.05 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1gk1 h GLU 166 Cb -0.01 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 1gk1 h GLU 166 CO -0.01 0.81 0.26 0.00 -0.73 0.00 0.00 179.01 179.34 1gk1 h ALA 167 N 1.32 0.97 -0.05 2.92 0.00 -0.78 -0.62 119.26 123.02 1gk1 h ALA 167 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1gk1 h ALA 167 Cb 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1gk1 h ALA 167 CO -0.02 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 1gk1 h ALA 168 N 1.13 0.07 -0.99 0.00 0.00 -0.70 -2.92 119.26 115.85 1gk1 h ALA 168 Ca 0.24 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1gk1 h ALA 168 Cb 0.28 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.96 1gk1 h ALA 168 CO -0.01 -0.23 0.62 1.25 0.00 0.00 0.00 179.25 180.88 1gk1 h LEU 169 N -0.22 0.87 -0.48 0.00 5.85 -0.80 -1.57 115.31 118.96 1gk1 h LEU 169 Ca 0.01 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1gk1 h LEU 169 Cb 0.37 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1gk1 h LEU 169 CO 0.00 0.44 0.00 0.00 -0.34 0.00 0.00 178.44 178.54 1gk1 n ALA 170 N -2.36 1.20 0.24 1.25 0.00 -0.26 -2.55 120.51 118.04 1gk1 n ALA 170 Ca 0.20 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.81 1gk1 n ALA 170 Cb 0.41 -1.17 0.56 0.00 0.00 0.00 0.00 19.45 19.25 1gk1 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 h ARG 171 N 0.00 0.00 -5.25 0.00 3.08 -1.33 -3.44 114.38 107.44 1gk1 h ARG 171 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1gk1 h ARG 171 Cb 0.08 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.28 1gk1 h ARG 171 CO 0.00 0.17 -0.66 -1.33 -1.07 0.00 0.00 179.97 177.08 1gk1 n MET 172 N -3.40 -6.26 -0.00 0.04 2.81 -1.06 -4.93 117.12 104.32 1gk1 n MET 172 Ca -0.00 0.75 0.09 0.00 -1.81 0.00 0.00 57.70 56.73 1gk1 n MET 172 Cb 0.37 -5.49 -0.12 0.00 -0.71 0.00 0.00 33.22 27.26 1gk1 n MET 172 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1gk1 n GLN 173 N -4.00 0.70 -3.46 0.03 1.13 -1.26 -4.79 117.38 105.73 1gk1 n GLN 173 Ca -0.17 -0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.41 1gk1 n GLN 173 Cb 0.62 -1.41 -0.10 0.00 0.11 0.00 0.00 30.24 29.46 1gk1 n GLN 173 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1gk1 s VAL 174 N -2.96 5.25 -0.75 5.09 1.01 -1.26 -3.88 120.40 122.89 1gk1 s VAL 174 Ca 0.03 -0.51 0.13 0.00 0.00 0.00 0.00 61.98 61.63 1gk1 s VAL 174 Cb 0.14 -3.89 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1gk1 s VAL 174 CO 0.79 -0.25 1.41 -0.81 0.00 0.00 0.00 175.10 176.24 1gk1 n PRO 175 N 5.20 0.06 -1.07 2.72 -0.04 -1.26 -4.06 135.00 136.55 1gk1 n PRO 175 Ca -0.11 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1gk1 n PRO 175 Cb 0.48 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1gk1 n PRO 175 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1gk1 n THR 176 N -1.79 0.00 0.00 0.52 5.66 -1.26 -2.20 114.28 115.21 1gk1 n THR 176 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1gk1 n THR 176 Cb 0.10 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1gk1 n THR 176 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1gk1 n PHE 177 N 0.00 0.00 -3.25 1.09 3.72 -1.22 -4.38 117.46 113.42 1gk1 n PHE 177 Ca 0.00 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.01 1gk1 n PHE 177 Cb 0.00 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 37.98 1gk1 n PHE 177 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1gk1 s ASN 178 N -1.60 6.98 -0.09 4.37 0.02 0.07 -1.97 114.94 122.72 1gk1 s ASN 178 Ca 0.00 1.16 0.02 0.00 -1.02 0.00 0.00 52.86 53.02 1gk1 s ASN 178 Cb 0.00 -2.35 0.02 0.00 0.02 0.00 0.00 41.25 38.93 1gk1 s ASN 178 CO 0.00 0.17 -0.12 -0.63 0.02 0.00 0.00 177.10 176.53 1gk1 s ILE 179 N -0.49 1.23 -0.12 0.60 1.01 -0.25 -2.17 121.20 121.01 1gk1 s ILE 179 Ca 0.30 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 1gk1 s ILE 179 Cb -0.18 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1gk1 s ILE 179 CO 0.17 0.38 -0.11 -0.69 0.00 0.00 0.00 174.94 174.69 1gk1 s VAL 180 N 0.94 3.23 0.12 2.92 1.01 -0.59 -1.14 120.40 126.89 1gk1 s VAL 180 Ca -0.09 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 61.38 1gk1 s VAL 180 Cb -0.15 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1gk1 s VAL 180 CO 0.00 0.53 -0.25 -0.47 0.00 0.00 0.00 175.10 174.92 1gk1 s TYR 181 N 0.14 2.12 -0.23 5.22 6.14 0.14 -1.39 117.35 129.50 1gk1 s TYR 181 Ca -0.06 -0.39 -0.22 0.00 0.64 0.00 0.00 57.07 57.04 1gk1 s TYR 181 Cb -0.15 -1.16 0.06 0.00 0.42 0.00 0.00 41.96 41.14 1gk1 s TYR 181 CO 0.04 0.28 0.62 0.00 0.64 0.00 0.00 175.55 177.14 1gk1 s ALA 182 N -1.08 -1.54 0.29 3.97 0.00 -0.85 -1.05 121.76 121.48 1gk1 s ALA 182 Ca 0.11 1.73 0.03 0.00 0.00 0.00 0.00 51.96 53.83 1gk1 s ALA 182 Cb -0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1gk1 s ALA 182 CO 0.05 -0.30 0.16 0.16 0.00 0.00 0.00 175.76 175.84 1gk1 s ASP 183 N 0.27 1.29 0.24 0.00 1.47 -0.90 -1.21 116.67 117.83 1gk1 s ASP 183 Ca -0.00 -1.54 0.23 0.00 1.18 0.00 0.00 52.55 52.42 1gk1 s ASP 183 Cb -0.04 0.39 0.95 0.00 -0.34 0.00 0.00 42.92 43.88 1gk1 s ASP 183 CO 0.01 -0.89 1.71 -2.11 0.68 0.00 0.00 175.17 174.57 1gk1 n ARG 184 N -0.52 0.19 0.23 2.11 1.85 0.59 -2.13 116.66 118.97 1gk1 n ARG 184 Ca 0.02 0.39 0.12 0.00 -1.00 0.00 0.00 57.85 57.38 1gk1 n ARG 184 Cb 0.65 -1.85 0.40 0.00 -1.05 0.00 0.00 32.46 30.61 1gk1 n ARG 184 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1gk1 h GLU 185 N 0.00 0.00 0.00 2.89 4.39 -1.92 -3.47 114.58 116.48 1gk1 h GLU 185 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1gk1 h GLU 185 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1gk1 h GLU 185 CO 0.00 0.13 0.00 0.41 -1.16 0.00 0.00 179.01 178.39 1gk1 n GLY 186 N 0.49 1.06 3.76 -3.84 0.00 -0.90 -5.06 105.19 100.69 1gk1 n GLY 186 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1gk1 n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gk1 s THR 187 N -2.00 4.77 -0.01 2.61 2.01 -1.26 -4.56 115.64 117.20 1gk1 s THR 187 Ca 0.00 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.48 1gk1 s THR 187 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1gk1 s THR 187 CO 0.00 0.42 -0.13 0.27 -0.69 0.00 0.00 174.62 174.49 1gk1 s ILE 188 N -0.31 1.02 -0.02 1.82 -4.36 -1.26 -2.11 121.20 115.99 1gk1 s ILE 188 Ca 0.34 -0.55 -0.07 0.00 -0.26 0.00 0.00 60.65 60.11 1gk1 s ILE 188 Cb -0.20 -0.85 0.01 0.00 1.25 0.00 0.00 42.46 42.67 1gk1 s ILE 188 CO 0.21 0.29 0.15 0.21 0.24 0.00 0.00 174.94 176.03 1gk1 s ASN 189 N -0.30 -0.03 -0.07 4.36 2.47 -0.22 -1.49 114.94 119.67 1gk1 s ASN 189 Ca 0.05 -0.05 0.03 0.00 0.42 0.00 0.00 52.86 53.31 1gk1 s ASN 189 Cb -0.05 0.25 0.01 0.00 -1.45 0.00 0.00 41.25 40.00 1gk1 s ASN 189 CO -0.00 -0.28 -0.16 -0.47 -3.72 0.00 0.00 177.10 172.46 1gk1 s TYR 190 N -0.97 1.74 -0.04 0.43 5.04 0.37 -0.68 117.35 123.24 1gk1 s TYR 190 Ca -0.11 -0.62 0.01 0.00 -2.44 0.00 0.00 57.07 53.91 1gk1 s TYR 190 Cb -0.06 -1.21 0.02 0.00 0.35 0.00 0.00 41.96 41.06 1gk1 s TYR 190 CO 0.01 -0.27 -0.04 -1.12 -1.34 0.00 0.00 175.55 172.79 1gk1 s SER 191 N 0.42 0.92 -0.97 4.32 0.01 -0.29 -0.80 113.70 117.29 1gk1 s SER 191 Ca -0.12 -0.12 -0.20 0.00 1.31 0.00 0.00 55.95 56.82 1gk1 s SER 191 Cb -0.15 -0.43 0.11 0.00 0.21 0.00 0.00 66.02 65.76 1gk1 s SER 191 CO 0.04 -0.06 1.25 0.12 0.41 0.00 0.00 173.24 175.00 1gk1 s PHE 192 N 0.95 2.94 0.40 2.43 5.36 -0.43 -1.09 117.98 128.54 1gk1 s PHE 192 Ca -0.11 -1.25 -0.04 0.00 -0.96 0.00 0.00 56.93 54.57 1gk1 s PHE 192 Cb -0.14 -4.42 -0.04 0.00 -0.34 0.00 0.00 43.02 38.07 1gk1 s PHE 192 CO -0.00 -1.63 0.68 1.21 -1.46 0.00 0.00 175.22 174.01 1gk1 s ASN 193 N 4.03 6.34 0.00 6.13 2.47 -0.83 -4.53 114.94 128.56 1gk1 s ASN 193 Ca 0.38 0.79 0.00 0.00 0.42 0.00 0.00 52.86 54.44 1gk1 s ASN 193 Cb -0.03 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1gk1 s ASN 193 CO -0.09 -0.40 0.00 0.61 -3.72 0.00 0.00 177.10 173.50 1gk1 n GLY 194 N -1.75 2.57 3.22 1.21 0.00 -1.26 -3.43 105.19 105.75 1gk1 n GLY 194 Ca -0.01 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1gk1 n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 195 N -1.89 4.16 -0.22 1.61 1.01 -0.94 -4.86 120.40 119.28 1gk1 s VAL 195 Ca 0.00 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.22 1gk1 s VAL 195 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1gk1 s VAL 195 CO 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 175.10 174.44 1gk1 s ALA 196 N 1.37 3.15 0.38 5.51 0.00 -1.26 -4.51 121.76 126.39 1gk1 s ALA 196 Ca 0.05 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 1gk1 s ALA 196 Cb -0.25 -1.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.86 1gk1 s ALA 196 CO -0.00 -0.22 1.14 -1.25 0.00 0.00 0.00 175.76 175.42 1gk1 s PRO 197 N 1.13 4.17 0.02 0.00 0.04 -1.26 0.27 135.00 139.36 1gk1 s PRO 197 Ca 0.04 1.77 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 1gk1 s PRO 197 Cb -0.14 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 1gk1 s PRO 197 CO 0.02 -0.20 1.09 0.15 0.04 0.00 0.00 177.00 178.10 1gk1 s LYS 198 N -2.21 4.49 0.06 4.56 1.02 0.11 -4.78 119.74 122.99 1gk1 s LYS 198 Ca 0.55 1.58 0.09 0.00 0.02 0.00 0.00 55.97 58.21 1gk1 s LYS 198 Cb -0.29 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1gk1 s LYS 198 CO 0.37 -0.17 -0.25 1.03 -0.92 0.00 0.00 175.35 175.40 1gk1 s ARG 199 N 1.13 1.65 0.15 1.68 0.52 -1.26 -4.64 118.95 118.19 1gk1 s ARG 199 Ca 0.55 -1.12 0.08 0.00 -0.52 0.00 0.00 55.73 54.72 1gk1 s ARG 199 Cb -0.25 -1.87 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 1gk1 s ARG 199 CO 0.28 0.48 1.34 0.00 0.02 0.00 0.00 175.30 177.41 1gk1 h ALA 200 N 4.65 0.45 -2.88 2.13 0.00 -1.96 -3.48 119.26 118.17 1gk1 h ALA 200 Ca -0.46 -0.83 -0.04 0.00 0.00 0.00 0.00 54.91 53.58 1gk1 h ALA 200 Cb 1.15 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1gk1 h ALA 200 CO 0.43 1.14 -0.03 -1.83 0.00 0.00 0.00 179.25 178.96 1gk1 s GLU 201 N -2.84 1.65 0.00 0.00 -1.05 -1.26 -5.15 118.70 110.04 1gk1 s GLU 201 Ca 0.01 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 1gk1 s GLU 201 Cb 0.10 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 1gk1 s GLU 201 CO 0.81 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 176.72 1gk1 n GLY 202 N -0.41 -0.34 3.85 -3.83 0.00 -1.26 -5.00 105.19 98.19 1gk1 n GLY 202 Ca -0.02 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 1gk1 n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gk1 n ASP 203 N -0.58 1.51 -0.06 1.61 5.68 -1.26 -4.34 116.55 119.12 1gk1 n ASP 203 Ca 0.00 -2.22 0.04 0.00 -0.50 0.00 0.00 54.79 52.11 1gk1 n ASP 203 Cb 0.00 -0.59 0.40 0.00 -1.14 0.00 0.00 41.12 39.79 1gk1 n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1gk1 h ILE 204 N -0.44 1.10 -0.50 2.12 2.10 -1.61 -2.03 117.51 118.24 1gk1 h ILE 204 Ca -0.31 -0.22 -0.08 0.00 1.08 0.00 0.00 64.86 65.33 1gk1 h ILE 204 Cb 1.22 0.41 -0.02 0.00 -1.09 0.00 0.00 36.82 37.33 1gk1 h ILE 204 CO 0.36 0.12 -0.00 0.00 -1.08 0.00 0.00 178.15 177.54 1gk1 h ALA 205 N 1.69 1.06 -0.18 0.18 0.00 -1.94 -1.93 119.26 118.15 1gk1 h ALA 205 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1gk1 h ALA 205 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1gk1 h ALA 205 CO -0.05 0.59 0.05 0.35 0.00 0.00 0.00 179.25 180.19 1gk1 h PHE 206 N 0.78 0.29 0.00 0.00 3.57 -1.75 -2.98 116.94 116.84 1gk1 h PHE 206 Ca 0.15 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1gk1 h PHE 206 Cb 0.47 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.13 1gk1 h PHE 206 CO 0.03 0.39 0.00 0.91 -2.23 0.00 0.00 178.31 177.41 1gk1 n TRP 207 N -4.81 0.00 0.05 0.41 7.02 -0.98 -2.93 117.44 116.20 1gk1 n TRP 207 Ca -0.04 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.51 1gk1 n TRP 207 Cb 0.15 -0.32 -0.07 0.00 -2.42 0.00 0.00 31.31 28.65 1gk1 n TRP 207 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1gk1 n GLN 208 N -1.32 0.63 -0.11 -0.99 6.02 -0.74 -4.75 117.38 116.12 1gk1 n GLN 208 Ca 0.10 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1gk1 n GLN 208 Cb 0.19 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.73 1gk1 n GLN 208 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gk1 n GLY 209 N 1.28 0.65 3.65 1.08 0.00 -1.15 -4.94 105.19 105.76 1gk1 n GLY 209 Ca -0.05 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1gk1 n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gk1 s LEU 210 N 0.00 4.10 0.07 0.99 1.43 -1.26 -4.50 118.68 119.50 1gk1 s LEU 210 Ca 0.00 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.14 1gk1 s LEU 210 Cb 0.00 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 1gk1 s LEU 210 CO 0.00 -0.57 0.48 -0.69 0.23 0.00 0.00 176.35 175.80 1gk1 s VAL 211 N 2.91 4.93 0.09 -1.59 1.01 -0.25 -4.78 120.40 122.72 1gk1 s VAL 211 Ca 0.39 0.85 -0.34 0.00 0.00 0.00 0.00 61.98 62.88 1gk1 s VAL 211 Cb -0.15 -3.74 -0.13 0.00 0.00 0.00 0.00 36.38 32.35 1gk1 s VAL 211 CO 0.07 0.44 1.67 -2.65 0.00 0.00 0.00 175.10 174.63 1gk1 n PRO 212 N 1.37 2.17 -0.94 2.72 -0.02 -1.26 -0.74 135.00 138.31 1gk1 n PRO 212 Ca -0.10 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 1gk1 n PRO 212 Cb 0.52 -2.58 0.33 0.00 -0.02 0.00 0.00 33.50 31.75 1gk1 n PRO 212 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gk1 n GLY 213 N 3.73 3.54 0.41 -1.23 0.00 0.84 -4.29 105.19 108.19 1gk1 n GLY 213 Ca 0.19 -0.99 0.09 0.00 0.00 0.00 0.00 46.02 45.30 1gk1 n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gk1 n ASP 214 N 0.01 2.81 -3.72 1.61 5.68 -1.26 -4.70 116.55 116.99 1gk1 n ASP 214 Ca 0.36 -3.15 -0.12 0.00 -0.50 0.00 0.00 54.79 51.37 1gk1 n ASP 214 Cb 1.29 -0.48 -0.13 0.00 -1.14 0.00 0.00 41.12 40.66 1gk1 n ASP 214 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1gk1 s SER 215 N -2.59 -0.18 0.09 -1.12 0.15 -1.26 -1.70 113.70 107.09 1gk1 s SER 215 Ca 0.36 0.55 0.14 0.00 0.70 0.00 0.00 55.95 57.70 1gk1 s SER 215 Cb 0.31 0.46 0.61 0.00 -1.71 0.00 0.00 66.02 65.69 1gk1 s SER 215 CO 0.04 -0.18 1.43 -1.54 1.20 0.00 0.00 173.24 174.19 1gk1 n SER 216 N 4.40 0.20 0.24 5.45 3.41 -1.26 -2.46 113.62 123.60 1gk1 n SER 216 Ca -0.22 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.02 1gk1 n SER 216 Cb 0.53 -0.60 0.56 0.00 -0.26 0.00 0.00 64.21 64.44 1gk1 n SER 216 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gk1 h ARG 217 N 0.00 0.00 -0.44 4.33 2.43 -1.96 -2.56 114.38 116.18 1gk1 h ARG 217 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1gk1 h ARG 217 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1gk1 h ARG 217 CO 0.00 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 179.28 1gk1 n TYR 218 N -4.20 0.57 -2.97 2.20 4.01 -1.03 -4.81 117.16 110.93 1gk1 n TYR 218 Ca -0.02 -0.29 -0.44 0.00 -0.16 0.00 0.00 57.90 56.99 1gk1 n TYR 218 Cb 0.23 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1gk1 n TYR 218 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1gk1 s LEU 219 N -1.41 5.05 0.61 7.72 2.96 -0.97 -5.03 118.68 127.60 1gk1 s LEU 219 Ca 0.40 -1.65 -0.13 0.00 -0.22 0.00 0.00 54.13 52.53 1gk1 s LEU 219 Cb 0.23 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1gk1 s LEU 219 CO 0.32 -1.15 1.03 -1.66 -1.32 0.00 0.00 176.35 173.56 1gk1 s TRP 220 N 2.92 3.37 0.00 5.38 1.48 -1.26 -4.98 118.94 125.85 1gk1 s TRP 220 Ca 0.24 1.40 0.00 0.00 -1.06 0.00 0.00 56.10 56.68 1gk1 s TRP 220 Cb -0.13 -2.82 0.00 0.00 -1.16 0.00 0.00 33.47 29.36 1gk1 s TRP 220 CO -0.00 -0.79 0.00 0.25 -4.06 0.00 0.00 176.95 172.34 1gk1 n THR 221 N -2.43 0.00 -4.27 0.66 -2.24 -1.26 -5.08 114.28 99.67 1gk1 n THR 221 Ca 0.07 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.61 1gk1 n THR 221 Cb 0.54 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 1gk1 n THR 221 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gk1 s GLU 222 N 0.00 2.34 0.10 -0.78 0.41 -1.26 -5.03 118.70 114.47 1gk1 s GLU 222 Ca 0.00 -1.32 0.04 0.00 -0.41 0.00 0.00 54.97 53.28 1gk1 s GLU 222 Cb 0.00 -2.23 -0.03 0.00 -1.78 0.00 0.00 34.13 30.09 1gk1 s GLU 222 CO 0.00 0.39 -0.11 0.95 -0.49 0.00 0.00 175.26 176.00 1gk1 s THR 223 N -2.14 1.02 0.34 3.63 -4.23 -1.26 0.09 115.64 113.09 1gk1 s THR 223 Ca 0.30 -1.58 -0.26 0.00 -1.18 0.00 0.00 61.69 58.97 1gk1 s THR 223 Cb -0.07 -1.31 -0.09 0.00 1.34 0.00 0.00 72.50 72.36 1gk1 s THR 223 CO 0.20 -0.47 1.05 -1.00 -0.54 0.00 0.00 174.62 173.85 1gk1 s HIS 224 N -2.16 3.46 0.67 3.99 3.76 0.14 -4.76 115.29 120.38 1gk1 s HIS 224 Ca 0.04 1.69 -0.07 0.00 -0.15 0.00 0.00 55.06 56.58 1gk1 s HIS 224 Cb -0.05 -3.16 0.04 0.00 1.11 0.00 0.00 32.58 30.53 1gk1 s HIS 224 CO 0.01 -0.46 0.98 -1.25 -0.85 0.00 0.00 174.74 173.17 1gk1 s PRO 225 N -2.01 2.47 0.35 8.40 0.04 -1.26 -4.62 135.00 138.36 1gk1 s PRO 225 Ca 0.51 -0.14 0.11 0.00 0.04 0.00 0.00 61.00 61.53 1gk1 s PRO 225 Cb -0.25 -2.20 0.90 0.00 0.04 0.00 0.00 34.50 32.99 1gk1 s PRO 225 CO 0.32 -1.05 1.79 1.25 0.04 0.00 0.00 177.00 179.35 1gk1 h LEU 226 N -0.46 0.63 -2.09 -3.56 5.85 -1.94 -1.93 115.31 111.82 1gk1 h LEU 226 Ca -0.45 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.46 1gk1 h LEU 226 Cb 1.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1gk1 h LEU 226 CO 0.61 0.20 0.32 0.44 -0.34 0.00 0.00 178.44 179.66 1gk1 h ASP 227 N 0.60 0.00 1.18 1.25 3.32 -1.98 -1.82 116.42 118.96 1gk1 h ASP 227 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1gk1 h ASP 227 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1gk1 h ASP 227 CO -0.33 0.00 -0.49 0.44 -1.72 0.00 0.00 179.24 177.14 1gk1 h ASP 228 N 0.00 0.00 -3.66 6.45 3.32 -1.72 -3.47 116.42 117.35 1gk1 h ASP 228 Ca 0.16 -0.10 -0.50 0.00 0.02 0.00 0.00 57.03 56.61 1gk1 h ASP 228 Cb 0.79 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1gk1 h ASP 228 CO -0.00 0.05 0.08 -0.76 -1.72 0.00 0.00 179.24 176.88 1gk1 s LEU 229 N -4.81 4.14 0.13 1.55 2.01 -0.69 -4.93 118.68 116.09 1gk1 s LEU 229 Ca 0.06 1.27 -0.32 0.00 0.01 0.00 0.00 54.13 55.15 1gk1 s LEU 229 Cb 0.11 -3.92 -0.12 0.00 0.01 0.00 0.00 46.19 42.27 1gk1 s LEU 229 CO 0.70 -0.13 1.74 -2.65 1.01 0.00 0.00 176.35 177.02 1gk1 n PRO 230 N -0.08 2.55 -3.81 1.29 -0.02 -1.26 -4.87 135.00 128.79 1gk1 n PRO 230 Ca 0.02 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.30 1gk1 n PRO 230 Cb 0.53 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.14 1gk1 n PRO 230 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1gk1 s ARG 231 N 1.99 0.55 -0.03 -0.52 0.52 -1.26 -1.32 118.95 118.89 1gk1 s ARG 231 Ca 0.81 -0.25 -0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1gk1 s ARG 231 Cb -0.56 0.24 0.03 0.00 0.52 0.00 0.00 34.95 35.17 1gk1 s ARG 231 CO 0.38 -0.14 0.03 0.08 0.02 0.00 0.00 175.30 175.67 1gk1 s VAL 232 N -1.23 -0.01 -0.05 3.52 1.01 0.02 -4.99 120.40 118.67 1gk1 s VAL 232 Ca -0.13 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1gk1 s VAL 232 Cb -0.06 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1gk1 s VAL 232 CO 0.03 0.12 -0.16 -0.89 0.00 0.00 0.00 175.10 174.20 1gk1 s THR 233 N 1.29 1.34 -1.04 3.92 2.01 -1.26 -0.48 115.64 121.41 1gk1 s THR 233 Ca -0.06 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 1gk1 s THR 233 Cb -0.13 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.25 1gk1 s THR 233 CO -0.03 0.39 0.52 0.59 -0.69 0.00 0.00 174.62 175.40 1gk1 n ASN 234 N 3.38 -3.04 -4.71 3.53 5.03 -0.55 -4.89 115.26 114.00 1gk1 n ASN 234 Ca -0.20 -1.10 -0.30 0.00 0.87 0.00 0.00 54.58 53.85 1gk1 n ASN 234 Cb 0.53 -1.32 0.13 0.00 -1.02 0.00 0.00 39.78 38.10 1gk1 n ASN 234 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1gk1 s PRO 235 N -7.07 1.44 0.50 3.52 0.04 -1.26 -4.92 135.00 127.25 1gk1 s PRO 235 Ca 0.38 1.16 0.24 0.00 0.04 0.00 0.00 61.00 62.82 1gk1 s PRO 235 Cb -0.21 -1.80 1.32 0.00 0.04 0.00 0.00 34.50 33.84 1gk1 s PRO 235 CO 0.82 -2.21 2.04 -1.00 0.04 0.00 0.00 177.00 176.69 1gk1 h PRO 236 N -1.54 0.00 0.00 0.56 0.13 -1.90 -2.29 132.00 126.96 1gk1 h PRO 236 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1gk1 h PRO 236 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1gk1 h PRO 236 CO 0.49 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1gk1 n GLY 237 N -0.75 -1.03 2.30 1.56 0.00 -1.26 -4.87 105.19 101.13 1gk1 n GLY 237 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1gk1 n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gk1 n GLY 238 N -0.13 0.38 3.36 -0.02 0.00 -0.86 -4.92 105.19 102.99 1gk1 n GLY 238 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1gk1 n GLY 238 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gk1 s PHE 239 N -1.79 0.05 0.01 1.61 -0.12 -1.26 -0.68 117.98 115.80 1gk1 s PHE 239 Ca 0.00 -0.41 0.01 0.00 -0.05 0.00 0.00 56.93 56.48 1gk1 s PHE 239 Cb 0.00 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1gk1 s PHE 239 CO 0.00 -0.74 -0.03 0.54 -0.05 0.00 0.00 175.22 174.94 1gk1 s VAL 240 N -3.88 0.21 0.16 -2.49 0.11 -0.52 -4.62 120.40 109.38 1gk1 s VAL 240 Ca 0.09 -0.54 -0.21 0.00 -2.93 0.00 0.00 61.98 58.39 1gk1 s VAL 240 Cb 0.02 -0.27 0.06 0.00 -1.53 0.00 0.00 36.38 34.66 1gk1 s VAL 240 CO -0.06 -0.21 0.54 0.00 -3.33 0.00 0.00 175.10 172.04 1gk1 s GLN 241 N -0.80 1.25 -0.29 1.54 1.03 0.97 -2.30 119.66 121.06 1gk1 s GLN 241 Ca -0.07 -0.58 -0.15 0.00 0.04 0.00 0.00 55.36 54.60 1gk1 s GLN 241 Cb -0.06 0.55 0.11 0.00 0.03 0.00 0.00 33.01 33.64 1gk1 s GLN 241 CO -0.00 -0.53 0.77 1.21 -2.54 0.00 0.00 175.29 174.20 1gk1 s ASN 242 N -2.78 -0.84 -0.32 12.60 3.84 -1.05 -4.41 114.94 121.98 1gk1 s ASN 242 Ca 0.02 1.31 0.11 0.00 0.21 0.00 0.00 52.86 54.51 1gk1 s ASN 242 Cb -0.00 1.47 0.46 0.00 -0.55 0.00 0.00 41.25 42.63 1gk1 s ASN 242 CO -0.11 -0.20 1.13 -1.20 -2.79 0.00 0.00 177.10 173.93 1gk1 n SER 243 N 4.34 3.87 0.00 -4.21 7.64 -1.26 -2.01 113.62 122.00 1gk1 n SER 243 Ca -0.18 -3.30 0.00 0.00 1.01 0.00 0.00 58.87 56.40 1gk1 n SER 243 Cb 0.57 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1gk1 n SER 243 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1gk1 n ASN 244 N -0.57 -1.52 -4.86 6.43 5.03 -1.25 -4.69 115.26 113.82 1gk1 n ASN 244 Ca 0.32 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.46 1gk1 n ASN 244 Cb 0.85 -0.83 0.02 0.00 -1.02 0.00 0.00 39.78 38.80 1gk1 n ASN 244 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 1gk1 s ASP 245 N -2.45 6.05 0.86 6.41 -4.77 -1.26 -4.95 116.67 116.56 1gk1 s ASP 245 Ca 0.00 1.43 -0.13 0.00 -3.30 0.00 0.00 52.55 50.55 1gk1 s ASP 245 Cb 0.00 -2.44 0.07 0.00 -1.09 0.00 0.00 42.92 39.46 1gk1 s ASP 245 CO 0.00 -0.98 0.90 -2.65 0.70 0.00 0.00 175.17 173.14 1gk1 n PRO 246 N -2.82 -0.07 0.00 2.11 -0.02 -1.26 -4.81 135.00 128.13 1gk1 n PRO 246 Ca 0.06 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1gk1 n PRO 246 Cb 0.54 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1gk1 n PRO 246 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gk1 n PRO 247 N -2.76 0.58 0.09 0.52 -0.04 -1.26 -4.13 135.00 128.00 1gk1 n PRO 247 Ca 0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 1gk1 n PRO 247 Cb 0.51 -1.26 0.27 0.00 -0.04 0.00 0.00 33.50 32.98 1gk1 n PRO 247 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1gk1 h TRP 248 N 0.57 0.00 -2.04 0.54 -0.00 -1.94 -3.37 115.95 109.71 1gk1 h TRP 248 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.89 58.39 1gk1 h TRP 248 Cb 0.40 0.00 -0.40 0.00 -0.00 0.00 0.00 29.16 29.15 1gk1 h TRP 248 CO 0.00 0.00 -1.12 0.25 -0.00 0.00 0.00 178.44 177.57 1gk1 n THR 249 N -2.23 0.28 0.52 1.49 -2.24 -1.26 -4.89 114.28 105.95 1gk1 n THR 249 Ca 0.04 -4.72 0.12 0.00 -2.27 0.00 0.00 64.05 57.22 1gk1 n THR 249 Cb 0.44 -0.44 0.46 0.00 -2.10 0.00 0.00 70.33 68.69 1gk1 n THR 249 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1gk1 n PRO 250 N 0.22 0.20 -3.87 -0.78 -0.04 -1.26 -4.85 135.00 124.62 1gk1 n PRO 250 Ca 0.26 0.31 -0.08 0.00 -0.04 0.00 0.00 63.50 63.95 1gk1 n PRO 250 Cb 0.62 -1.81 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1gk1 n PRO 250 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gk1 s THR 251 N -3.20 0.00 -0.13 0.52 -1.32 -1.26 -0.02 115.64 110.22 1gk1 s THR 251 Ca 0.07 -1.08 -0.05 0.00 -1.21 0.00 0.00 61.69 59.42 1gk1 s THR 251 Cb 0.11 -2.37 0.06 0.00 -1.51 0.00 0.00 72.50 68.79 1gk1 s THR 251 CO 0.47 0.00 0.27 0.86 -2.21 0.00 0.00 174.62 174.01 1gk1 s TRP 252 N -3.31 -0.43 0.66 9.09 -0.11 -1.26 -3.63 118.94 119.95 1gk1 s TRP 252 Ca 0.15 0.99 -0.15 0.00 1.22 0.00 0.00 56.10 58.31 1gk1 s TRP 252 Cb -0.05 -0.02 0.00 0.00 -1.50 0.00 0.00 33.47 31.90 1gk1 s TRP 252 CO 0.10 -0.36 1.12 -1.25 -4.62 0.00 0.00 176.95 171.94 1gk1 s PRO 253 N 2.41 2.73 0.70 5.86 0.04 -1.26 -4.13 135.00 141.34 1gk1 s PRO 253 Ca 0.01 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 1gk1 s PRO 253 Cb -0.12 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.50 1gk1 s PRO 253 CO -0.09 -1.31 1.11 0.14 0.04 0.00 0.00 177.00 176.89 1gk1 s VAL 254 N -2.26 3.19 -1.07 -0.36 -7.23 -1.24 -4.71 120.40 106.71 1gk1 s VAL 254 Ca 0.68 0.51 0.09 0.00 -1.81 0.00 0.00 61.98 61.45 1gk1 s VAL 254 Cb -0.22 -3.01 0.11 0.00 0.56 0.00 0.00 36.38 33.81 1gk1 s VAL 254 CO 0.41 -0.38 0.87 0.35 -0.31 0.00 0.00 175.10 176.04 1gk1 n THR 255 N -2.74 0.18 -3.79 5.32 -2.24 -1.26 -5.03 114.28 104.73 1gk1 n THR 255 Ca 0.10 -0.59 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 1gk1 n THR 255 Cb 0.52 1.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 1gk1 n THR 255 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1gk1 s TYR 256 N -0.81 -0.12 0.26 4.78 -0.85 -1.26 -5.18 117.35 114.18 1gk1 s TYR 256 Ca 0.12 -0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.46 1gk1 s TYR 256 Cb 0.08 0.67 -0.06 0.00 0.38 0.00 0.00 41.96 43.03 1gk1 s TYR 256 CO 0.12 -0.96 0.02 0.95 -1.52 0.00 0.00 175.55 174.16 1gk1 s THR 257 N -3.30 1.05 0.46 -3.49 -4.23 -1.26 -5.00 115.64 99.88 1gk1 s THR 257 Ca 0.13 -2.03 0.19 0.00 -1.18 0.00 0.00 61.69 58.81 1gk1 s THR 257 Cb -0.03 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.69 1gk1 s THR 257 CO 0.04 -0.20 1.92 -0.65 -0.54 0.00 0.00 174.62 175.19 1gk1 h PRO 258 N 2.36 0.29 0.00 3.99 0.11 -1.95 -1.56 132.00 135.24 1gk1 h PRO 258 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1gk1 h PRO 258 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1gk1 h PRO 258 CO 0.66 0.19 0.00 0.36 -0.21 0.00 0.00 178.00 179.00 1gk1 n LYS 259 N -4.45 0.13 0.00 1.05 2.85 -1.26 -2.42 118.16 114.06 1gk1 n LYS 259 Ca 0.15 0.43 0.15 0.00 -1.05 0.00 0.00 58.31 57.99 1gk1 n LYS 259 Cb 0.62 -1.77 0.84 0.00 -0.65 0.00 0.00 35.03 34.07 1gk1 n LYS 259 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1gk1 n ASP 260 N -2.02 0.12 -4.08 -5.58 8.00 -0.59 -4.86 116.55 107.55 1gk1 n ASP 260 Ca 0.02 -0.75 -0.10 0.00 0.71 0.00 0.00 54.79 54.67 1gk1 n ASP 260 Cb 0.17 -0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.07 1gk1 n ASP 260 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1gk1 s PHE 261 N -2.20 0.60 0.29 1.24 0.40 -1.02 -5.06 117.98 112.23 1gk1 s PHE 261 Ca 0.40 -0.77 -0.30 0.00 -0.60 0.00 0.00 56.93 55.67 1gk1 s PHE 261 Cb 0.21 -0.38 -0.12 0.00 0.51 0.00 0.00 43.02 43.24 1gk1 s PHE 261 CO 0.40 -0.20 1.43 -0.35 0.70 0.00 0.00 175.22 177.20 1gk1 n PRO 262 N 0.74 2.27 0.00 0.24 -0.04 -1.26 -4.84 135.00 132.10 1gk1 n PRO 262 Ca -0.18 0.80 0.02 0.00 -0.04 0.00 0.00 63.50 64.11 1gk1 n PRO 262 Cb 0.58 -2.47 0.12 0.00 -0.04 0.00 0.00 33.50 31.69 1gk1 n PRO 262 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gk1 n SER 263 N 1.65 0.00 -0.91 3.54 3.41 -1.26 -2.20 113.62 117.85 1gk1 n SER 263 Ca 0.08 0.10 0.10 0.00 -0.26 0.00 0.00 58.87 58.90 1gk1 n SER 263 Cb 0.35 -0.19 0.13 0.00 -0.26 0.00 0.00 64.21 64.23 1gk1 n SER 263 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gk1 n TYR 264 N -1.19 0.18 -0.04 7.33 0.18 -1.26 -1.99 117.16 120.37 1gk1 n TYR 264 Ca 0.03 -0.10 -0.14 0.00 1.88 0.00 0.00 57.90 59.56 1gk1 n TYR 264 Cb 0.03 -0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.87 1gk1 n TYR 264 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1gk1 h LEU 265 N 4.02 0.09 -7.88 -3.48 3.38 -1.81 -3.40 115.31 106.23 1gk1 h LEU 265 Ca 0.00 -0.79 -0.11 0.00 0.09 0.00 0.00 57.88 57.07 1gk1 h LEU 265 Cb 0.88 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 1gk1 h LEU 265 CO 0.00 0.87 -0.48 0.00 0.09 0.00 0.00 178.44 178.91 1gk1 s ALA 266 N -3.07 -0.10 0.77 1.53 0.00 -1.26 -4.72 121.76 114.91 1gk1 s ALA 266 Ca -0.17 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1gk1 s ALA 266 Cb -0.00 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.47 1gk1 s ALA 266 CO 0.71 -0.37 1.10 -1.25 0.00 0.00 0.00 175.76 175.94 1gk1 s PRO 267 N -3.00 2.35 -0.41 0.00 0.04 -1.26 -4.84 135.00 127.88 1gk1 s PRO 267 Ca -0.02 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.68 1gk1 s PRO 267 Cb 0.01 -1.95 0.43 0.00 0.04 0.00 0.00 34.50 33.03 1gk1 s PRO 267 CO -0.06 -1.42 1.11 1.04 0.04 0.00 0.00 177.00 177.70 1gk1 n GLN 268 N -3.29 3.22 -2.73 4.56 6.02 -1.26 -4.80 117.38 119.09 1gk1 n GLN 268 Ca 0.07 -4.34 -0.27 0.00 -0.01 0.00 0.00 57.00 52.45 1gk1 n GLN 268 Cb 0.56 -2.15 -0.00 0.00 1.02 0.00 0.00 30.24 29.67 1gk1 n GLN 268 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1gk1 s THR 269 N -5.18 4.88 0.31 5.09 -4.23 -1.26 -5.03 115.64 110.22 1gk1 s THR 269 Ca 0.46 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.77 1gk1 s THR 269 Cb 0.41 -3.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.29 1gk1 s THR 269 CO -0.14 -0.79 1.53 -2.16 -0.54 0.00 0.00 174.62 172.52 1gk1 s PRO 270 N -4.69 4.15 0.28 3.99 0.04 -1.26 -4.85 135.00 132.67 1gk1 s PRO 270 Ca 0.47 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.73 1gk1 s PRO 270 Cb -0.10 -3.03 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 1gk1 s PRO 270 CO 0.44 -0.55 1.26 -1.01 0.04 0.00 0.00 177.00 177.18 1gk1 s HIS 271 N -0.35 3.22 0.90 0.56 3.76 -1.26 -4.99 115.29 117.12 1gk1 s HIS 271 Ca 0.59 1.42 -0.11 0.00 -0.15 0.00 0.00 55.06 56.82 1gk1 s HIS 271 Cb -0.46 -3.57 0.13 0.00 1.11 0.00 0.00 32.58 29.79 1gk1 s HIS 271 CO 0.51 -1.58 1.10 -1.54 -0.85 0.00 0.00 174.74 172.39 1gk1 s SER 272 N -0.35 3.32 0.45 1.40 1.04 -1.26 -4.80 113.70 113.51 1gk1 s SER 272 Ca 0.50 1.80 0.15 0.00 0.48 0.00 0.00 55.95 58.88 1gk1 s SER 272 Cb -0.37 -2.41 1.04 0.00 0.10 0.00 0.00 66.02 64.38 1gk1 s SER 272 CO 0.46 -2.78 2.00 -0.07 0.98 0.00 0.00 173.24 173.83 1gk1 h LEU 273 N -1.65 0.00 -0.38 2.42 3.38 -1.79 -1.49 115.31 115.80 1gk1 h LEU 273 Ca -0.47 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1gk1 h LEU 273 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1gk1 h LEU 273 CO 0.49 0.18 -0.08 -0.09 0.09 0.00 0.00 178.44 179.04 1gk1 h ARG 274 N 0.00 0.73 -0.47 1.13 2.43 -1.74 -1.36 114.38 115.10 1gk1 h ARG 274 Ca -0.00 -0.27 -0.07 0.00 -0.81 0.00 0.00 59.98 58.83 1gk1 h ARG 274 Cb 0.32 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1gk1 h ARG 274 CO 0.02 0.86 0.01 0.00 -1.51 0.00 0.00 179.97 179.36 1gk1 h ALA 275 N 0.84 1.14 -0.60 2.80 0.00 -1.70 -1.43 119.26 120.32 1gk1 h ALA 275 Ca 0.10 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1gk1 h ALA 275 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1gk1 h ALA 275 CO 0.03 0.55 0.05 1.96 0.00 0.00 0.00 179.25 181.85 1gk1 h GLN 276 N 0.72 1.00 -0.74 0.00 4.20 -1.07 -2.61 115.11 116.62 1gk1 h GLN 276 Ca 0.14 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1gk1 h GLN 276 Cb 0.42 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 1gk1 h GLN 276 CO 0.02 0.95 0.24 1.96 -0.67 0.00 0.00 178.83 181.33 1gk1 h GLN 277 N 0.93 1.15 -0.13 1.46 1.08 -0.76 -2.50 115.11 116.34 1gk1 h GLN 277 Ca 0.18 -0.25 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1gk1 h GLN 277 Cb 0.47 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1gk1 h GLN 277 CO 0.02 0.98 -0.12 1.03 -0.95 0.00 0.00 178.83 179.79 1gk1 h SER 278 N 1.10 -0.37 -0.70 1.46 0.87 -0.91 0.47 113.55 115.47 1gk1 h SER 278 Ca 0.24 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1gk1 h SER 278 Cb 0.30 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1gk1 h SER 278 CO -0.01 -0.16 0.37 0.58 -0.53 0.00 0.00 176.83 177.09 1gk1 h VAL 279 N -0.14 1.22 -0.25 2.23 2.07 -1.39 -2.77 116.25 117.22 1gk1 h VAL 279 Ca 0.09 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1gk1 h VAL 279 Cb 0.27 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1gk1 h VAL 279 CO -0.22 0.25 0.07 0.03 0.02 0.00 0.00 177.57 177.72 1gk1 h ARG 280 N 0.97 0.40 -0.95 1.57 3.08 -0.98 0.38 114.38 118.85 1gk1 h ARG 280 Ca 0.25 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.23 1gk1 h ARG 280 Cb 0.06 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 1gk1 h ARG 280 CO -0.04 0.49 0.62 -0.07 -1.07 0.00 0.00 179.97 179.91 1gk1 h LEU 281 N 0.24 1.04 0.00 3.04 3.38 -0.85 0.55 115.31 122.72 1gk1 h LEU 281 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gk1 h LEU 281 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gk1 h LEU 281 CO -0.00 0.72 -0.00 0.24 0.09 0.00 0.00 178.44 179.49 1gk1 h MET 282 N 1.21 0.00 -0.28 1.13 2.86 -1.41 -3.25 114.93 115.20 1gk1 h MET 282 Ca 0.37 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.93 1gk1 h MET 282 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1gk1 h MET 282 CO -0.11 0.99 -0.19 0.66 1.06 0.00 0.00 176.91 179.32 1gk1 h SER 283 N -0.98 0.49 1.35 1.22 4.64 -0.89 -3.10 113.55 116.28 1gk1 h SER 283 Ca -0.00 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1gk1 h SER 283 Cb 0.99 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1gk1 h SER 283 CO 0.00 0.69 0.00 -0.62 -0.87 0.00 0.00 176.83 176.04 1gk1 n GLU 284 N -4.16 0.21 -4.23 4.77 1.02 0.18 -4.85 120.64 113.58 1gk1 n GLU 284 Ca 0.00 0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 57.02 1gk1 n GLU 284 Cb 0.37 -1.75 -0.09 0.00 -0.02 0.00 0.00 31.44 29.95 1gk1 n GLU 284 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1gk1 s ASN 285 N -4.22 4.65 0.32 1.62 -0.87 -1.17 -5.07 114.94 110.20 1gk1 s ASN 285 Ca 0.11 -0.28 0.03 0.00 -1.57 0.00 0.00 52.86 51.16 1gk1 s ASN 285 Cb 0.13 -1.00 -0.04 0.00 -0.02 0.00 0.00 41.25 40.33 1gk1 s ASN 285 CO 0.57 0.19 0.14 -0.62 -2.57 0.00 0.00 177.10 174.82 1gk1 s ASP 286 N -2.12 1.80 -1.55 -1.22 -1.08 -1.26 -4.87 116.67 106.38 1gk1 s ASP 286 Ca 0.22 -1.55 -0.07 0.00 -0.52 0.00 0.00 52.55 50.63 1gk1 s ASP 286 Cb -0.11 0.35 0.06 0.00 -1.46 0.00 0.00 42.92 41.76 1gk1 s ASP 286 CO 0.14 -0.86 0.47 0.47 0.52 0.00 0.00 175.17 175.92 1gk1 n ASP 287 N -0.95 -1.12 -4.77 -0.34 9.92 -0.97 -4.87 116.55 113.45 1gk1 n ASP 287 Ca -0.00 -1.06 -0.39 0.00 -0.53 0.00 0.00 54.79 52.81 1gk1 n ASP 287 Cb 0.65 -2.66 -0.02 0.00 -0.64 0.00 0.00 41.12 38.45 1gk1 n ASP 287 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1gk1 s LEU 288 N -7.15 4.22 0.32 0.64 1.43 -0.78 -4.02 118.68 113.35 1gk1 s LEU 288 Ca 0.27 2.44 0.09 0.00 -1.03 0.00 0.00 54.13 55.90 1gk1 s LEU 288 Cb -0.15 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 1gk1 s LEU 288 CO 0.93 -0.70 -0.10 0.42 0.23 0.00 0.00 176.35 177.13 1gk1 s THR 289 N -1.35 2.11 0.24 5.49 -4.23 -1.26 -0.55 115.64 116.10 1gk1 s THR 289 Ca 0.56 -2.20 -0.07 0.00 -1.18 0.00 0.00 61.69 58.80 1gk1 s THR 289 Cb -0.33 -2.56 0.23 0.00 1.34 0.00 0.00 72.50 71.18 1gk1 s THR 289 CO 0.42 -0.25 1.91 0.25 -0.54 0.00 0.00 174.62 176.42 1gk1 h LEU 290 N 2.11 1.07 -0.27 4.79 5.85 -1.98 0.12 115.31 127.01 1gk1 h LEU 290 Ca -0.41 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1gk1 h LEU 290 Cb 1.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1gk1 h LEU 290 CO 0.69 0.77 0.17 -0.33 -0.34 0.00 0.00 178.44 179.40 1gk1 h GLU 291 N 1.26 0.36 -0.64 1.25 3.07 -1.99 -0.07 114.58 117.82 1gk1 h GLU 291 Ca 0.35 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.09 1gk1 h GLU 291 Cb -0.12 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 1gk1 h GLU 291 CO -0.08 0.25 0.04 -0.09 -1.40 0.00 0.00 179.01 177.74 1gk1 h ARG 292 N 0.35 1.10 -0.30 2.33 9.65 -1.86 -2.16 114.38 123.50 1gk1 h ARG 292 Ca 0.10 -0.33 0.02 0.00 -1.10 0.00 0.00 59.98 58.67 1gk1 h ARG 292 Cb -0.02 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 1gk1 h ARG 292 CO -0.02 1.04 0.15 0.35 2.80 0.00 0.00 179.97 184.29 1gk1 h PHE 293 N 1.02 0.28 -0.75 2.20 3.57 -0.40 -1.90 116.94 120.96 1gk1 h PHE 293 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 1gk1 h PHE 293 Cb 0.52 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1gk1 h PHE 293 CO 0.04 0.15 0.25 0.52 -2.23 0.00 0.00 178.31 177.04 1gk1 h MET 294 N 0.31 1.14 -0.38 1.11 2.86 -0.86 -2.54 114.93 116.58 1gk1 h MET 294 Ca 0.12 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1gk1 h MET 294 Cb 0.04 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1gk1 h MET 294 CO -0.08 0.96 0.09 0.00 1.06 0.00 0.00 176.91 178.93 1gk1 h ALA 295 N 1.16 1.45 -0.10 6.32 0.00 -1.02 -2.36 119.26 124.72 1gk1 h ALA 295 Ca 0.24 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1gk1 h ALA 295 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gk1 h ALA 295 CO -0.01 0.40 -0.52 -0.07 0.00 0.00 0.00 179.25 179.06 1gk1 h LEU 296 N 0.55 0.29 -1.89 0.00 3.38 -0.96 -2.87 115.31 113.81 1gk1 h LEU 296 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1gk1 h LEU 296 Cb 0.22 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1gk1 h LEU 296 CO -0.00 0.76 -0.08 -0.61 0.09 0.00 0.00 178.44 178.59 1gk1 h GLN 297 N 0.21 0.00 0.00 1.13 -0.00 -1.05 -2.07 115.11 113.33 1gk1 h GLN 297 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1gk1 h GLN 297 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.46 1gk1 h GLN 297 CO 0.08 0.08 0.00 1.28 0.00 0.00 0.00 178.83 180.27 1gk1 n LEU 298 N -4.35 0.00 -4.60 -2.39 4.32 -1.08 -3.86 117.00 105.04 1gk1 n LEU 298 Ca -0.03 0.16 -0.50 0.00 -0.02 0.00 0.00 56.01 55.62 1gk1 n LEU 298 Cb 0.16 -0.16 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 1gk1 n LEU 298 CO 0.34 -0.03 0.92 -1.20 -1.22 0.00 0.00 177.39 176.21 1gk1 n SER 299 N -1.16 1.88 -2.66 -1.43 7.64 -0.78 -4.68 113.62 112.43 1gk1 n SER 299 Ca 0.16 1.12 -0.09 0.00 1.01 0.00 0.00 58.87 61.06 1gk1 n SER 299 Cb 0.15 -1.24 0.04 0.00 -1.01 0.00 0.00 64.21 62.14 1gk1 n SER 299 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gk1 n HIS 300 N 2.46 0.95 -2.59 1.43 1.44 -1.26 -1.58 115.22 116.07 1gk1 n HIS 300 Ca 0.17 -2.74 -0.40 0.00 -2.01 0.00 0.00 57.72 52.75 1gk1 n HIS 300 Cb 0.22 -0.27 -0.05 0.00 0.12 0.00 0.00 29.99 30.01 1gk1 n HIS 300 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1gk1 s ARG 301 N -2.94 4.66 -1.28 -1.40 6.06 -1.26 -1.37 118.95 121.42 1gk1 s ARG 301 Ca 0.27 1.64 -0.09 0.00 -2.50 0.00 0.00 55.73 55.05 1gk1 s ARG 301 Cb 0.46 -3.13 0.16 0.00 0.06 0.00 0.00 34.95 32.50 1gk1 s ARG 301 CO 0.03 0.29 1.91 0.00 -2.50 0.00 0.00 175.30 175.03 1gk1 n ALA 302 N 1.13 5.47 -0.26 6.12 0.00 0.67 -2.73 120.51 130.90 1gk1 n ALA 302 Ca -0.01 -4.30 0.20 0.00 0.00 0.00 0.00 53.44 49.33 1gk1 n ALA 302 Cb 0.46 -2.97 0.51 0.00 0.00 0.00 0.00 19.45 17.46 1gk1 n ALA 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gk1 h VAL 303 N 3.67 0.65 0.00 0.00 2.07 -1.59 0.32 116.25 121.36 1gk1 h VAL 303 Ca 0.41 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 1gk1 h VAL 303 Cb 0.61 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1gk1 h VAL 303 CO 1.62 0.07 -0.18 -0.03 0.02 0.00 0.00 177.57 179.08 1gk1 h MET 304 N 0.40 0.00 -0.61 1.57 1.85 -1.65 -1.62 114.93 114.87 1gk1 h MET 304 Ca 0.49 0.00 -0.10 0.00 -0.61 0.00 0.00 59.70 59.49 1gk1 h MET 304 Cb 1.24 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.25 1gk1 h MET 304 CO -0.19 0.18 0.00 0.00 -0.40 0.00 0.00 176.91 176.50 1gk1 h ALA 305 N 1.82 0.84 -0.05 0.39 0.00 -0.64 -1.56 119.26 120.06 1gk1 h ALA 305 Ca -0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1gk1 h ALA 305 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gk1 h ALA 305 CO 0.02 0.67 -0.18 -0.44 0.00 0.00 0.00 179.25 179.33 1gk1 h ASP 306 N 0.98 0.08 0.59 0.00 3.32 -1.21 0.45 116.42 120.62 1gk1 h ASP 306 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1gk1 h ASP 306 Cb 0.56 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1gk1 h ASP 306 CO 0.03 0.26 -0.51 0.54 -1.72 0.00 0.00 179.24 177.84 1gk1 n ARG 307 N -4.29 0.06 0.00 3.56 5.12 -0.98 -4.60 116.66 115.53 1gk1 n ARG 307 Ca -0.02 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gk1 n ARG 307 Cb 0.26 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1gk1 n ARG 307 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1gk1 n THR 308 N -1.62 0.00 -0.33 0.55 -2.24 -0.63 -0.70 114.28 109.31 1gk1 n THR 308 Ca 0.05 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 1gk1 n THR 308 Cb 0.36 -0.47 0.29 0.00 -2.10 0.00 0.00 70.33 68.41 1gk1 n THR 308 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gk1 h LEU 309 N 0.00 0.83 -1.13 3.22 3.38 -1.14 -1.44 115.31 119.03 1gk1 h LEU 309 Ca 0.00 0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.23 1gk1 h LEU 309 Cb 0.87 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1gk1 h LEU 309 CO 0.00 0.43 0.62 -0.65 0.09 0.00 0.00 178.44 178.92 1gk1 h PRO 310 N 0.88 0.61 0.06 1.13 0.11 -1.82 -1.44 132.00 131.54 1gk1 h PRO 310 Ca 0.49 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 66.24 1gk1 h PRO 310 Cb 0.59 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.53 1gk1 h PRO 310 CO -0.25 0.41 -1.78 -0.44 -0.21 0.00 0.00 178.00 175.72 1gk1 h ASP 311 N 0.63 0.19 -0.11 -2.05 3.32 -1.75 -3.40 116.42 113.26 1gk1 h ASP 311 Ca 0.58 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1gk1 h ASP 311 Cb 1.08 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.56 1gk1 h ASP 311 CO -0.35 1.36 -0.17 0.25 -1.72 0.00 0.00 179.24 178.61 1gk1 h LEU 312 N 0.03 0.34 0.02 1.55 5.85 -0.81 -3.29 115.31 119.00 1gk1 h LEU 312 Ca -0.33 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 57.89 1gk1 h LEU 312 Cb 2.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.92 1gk1 h LEU 312 CO 0.09 0.80 -0.18 0.40 -0.34 0.00 0.00 178.44 179.22 1gk1 h ILE 313 N -0.12 0.57 -0.85 4.05 2.04 -1.50 -1.18 117.51 120.52 1gk1 h ILE 313 Ca 0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1gk1 h ILE 313 Cb 0.73 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 1gk1 h ILE 313 CO 0.04 0.00 0.52 -0.65 0.00 0.00 0.00 178.15 178.05 1gk1 h PRO 314 N -0.30 0.89 -0.36 2.37 0.11 -1.77 -1.94 132.00 130.99 1gk1 h PRO 314 Ca 0.05 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.00 1gk1 h PRO 314 Cb 0.36 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1gk1 h PRO 314 CO -0.15 0.59 -0.19 0.00 -0.21 0.00 0.00 178.00 178.03 1gk1 h ALA 315 N 1.42 0.99 0.00 -0.75 0.00 -1.56 -2.85 119.26 116.52 1gk1 h ALA 315 Ca 0.38 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1gk1 h ALA 315 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gk1 h ALA 315 CO -0.20 0.60 -0.43 0.00 0.00 0.00 0.00 179.25 179.22 1gk1 h ALA 316 N 1.19 1.03 0.00 0.00 0.00 -0.66 -3.08 119.26 117.74 1gk1 h ALA 316 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gk1 h ALA 316 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1gk1 h ALA 316 CO 0.05 0.54 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1gk1 h LEU 317 N 0.00 0.00 -0.29 0.00 4.07 -1.12 -2.73 115.31 115.24 1gk1 h LEU 317 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1gk1 h LEU 317 Cb 0.91 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1gk1 h LEU 317 CO 0.06 0.00 -0.47 2.30 -1.08 0.00 0.00 178.44 179.25 1gk1 n ILE 318 N -2.42 0.00 -2.33 1.22 -5.35 -1.16 -4.89 119.36 104.42 1gk1 n ILE 318 Ca 0.02 -0.08 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 1gk1 n ILE 318 Cb 0.25 0.51 -0.03 0.00 -1.74 0.00 0.00 39.64 38.62 1gk1 n ILE 318 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1gk1 s ASP 319 N -2.76 7.07 0.34 7.28 -1.08 -1.03 -4.95 116.67 121.54 1gk1 s ASP 319 Ca 0.16 2.42 0.11 0.00 -0.52 0.00 0.00 52.55 54.72 1gk1 s ASP 319 Cb 0.18 -2.63 0.61 0.00 -1.46 0.00 0.00 42.92 39.62 1gk1 s ASP 319 CO 0.64 -0.31 1.77 1.55 0.52 0.00 0.00 175.17 179.35 1gk1 h PRO 320 N 3.79 0.08 -6.16 4.34 0.13 -1.90 -3.44 132.00 128.84 1gk1 h PRO 320 Ca -0.47 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.06 1gk1 h PRO 320 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1gk1 h PRO 320 CO 0.67 0.47 1.35 0.34 -0.23 0.00 0.00 178.00 180.60 1gk1 s ASP 321 N -6.91 5.93 0.65 1.44 -1.08 -1.26 -4.83 116.67 110.61 1gk1 s ASP 321 Ca -0.03 2.11 0.43 0.00 -0.52 0.00 0.00 52.55 54.54 1gk1 s ASP 321 Cb 0.14 -2.52 2.32 0.00 -1.46 0.00 0.00 42.92 41.39 1gk1 s ASP 321 CO 0.74 -1.55 2.33 1.55 0.52 0.00 0.00 175.17 178.76 1gk1 h PRO 322 N 12.88 0.00 -0.06 4.34 0.13 -2.00 -1.51 132.00 145.78 1gk1 h PRO 322 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 1gk1 h PRO 322 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1gk1 h PRO 322 CO 0.96 0.00 -0.62 1.49 -0.23 0.00 0.00 178.00 179.60 1gk1 h GLU 323 N 0.00 0.52 -0.46 0.86 4.57 -1.96 -2.12 114.58 116.00 1gk1 h GLU 323 Ca 0.00 -0.48 -0.09 0.00 -1.18 0.00 0.00 59.36 57.61 1gk1 h GLU 323 Cb 0.05 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1gk1 h GLU 323 CO 0.00 1.12 -0.07 0.28 -1.18 0.00 0.00 179.01 179.16 1gk1 h VAL 324 N 0.10 1.25 -0.20 0.32 2.07 -1.67 -1.96 116.25 116.17 1gk1 h VAL 324 Ca -0.06 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1gk1 h VAL 324 Cb 1.29 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1gk1 h VAL 324 CO 0.12 0.38 0.04 1.56 0.02 0.00 0.00 177.57 179.70 1gk1 h GLN 325 N 0.73 0.33 -0.90 1.57 4.20 -1.42 -2.11 115.11 117.50 1gk1 h GLN 325 Ca 0.13 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1gk1 h GLN 325 Cb 0.54 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 1gk1 h GLN 325 CO 0.03 0.47 0.56 0.00 -0.67 0.00 0.00 178.83 179.22 1gk1 h ALA 326 N 0.85 1.14 -0.86 3.87 0.00 -1.28 -2.08 119.26 120.91 1gk1 h ALA 326 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1gk1 h ALA 326 Cb 0.29 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1gk1 h ALA 326 CO 0.00 0.58 0.43 0.00 0.00 0.00 0.00 179.25 180.26 1gk1 h ALA 327 N 1.31 1.14 -0.57 0.00 0.00 -1.19 -1.20 119.26 118.75 1gk1 h ALA 327 Ca 0.33 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1gk1 h ALA 327 Cb -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 1gk1 h ALA 327 CO -0.06 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.91 1gk1 h ALA 328 N 1.25 1.03 -0.04 0.00 0.00 -0.84 -1.28 119.26 119.38 1gk1 h ALA 328 Ca 0.30 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1gk1 h ALA 328 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1gk1 h ALA 328 CO -0.04 0.61 -0.54 0.00 0.00 0.00 0.00 179.25 179.28 1gk1 h ARG 329 N 0.88 0.11 -0.42 0.00 3.08 -0.97 -0.40 114.38 116.67 1gk1 h ARG 329 Ca 0.18 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1gk1 h ARG 329 Cb 0.43 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1gk1 h ARG 329 CO 0.01 0.62 -0.14 1.25 -1.07 0.00 0.00 179.97 180.64 1gk1 h LEU 330 N 0.09 0.85 -0.70 3.04 5.85 -0.82 -2.09 115.31 121.53 1gk1 h LEU 330 Ca -0.00 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 1gk1 h LEU 330 Cb 0.98 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1gk1 h LEU 330 CO 0.08 1.04 -0.64 -0.07 -0.34 0.00 0.00 178.44 178.51 1gk1 h LEU 331 N 0.66 0.00 -0.72 2.25 3.38 -1.07 -3.05 115.31 116.77 1gk1 h LEU 331 Ca 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1gk1 h LEU 331 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1gk1 h LEU 331 CO 0.05 0.64 -0.63 0.00 0.09 0.00 0.00 178.44 178.58 1gk1 h ALA 332 N 1.36 0.93 -0.00 1.53 0.00 -0.86 -3.04 119.26 119.18 1gk1 h ALA 332 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1gk1 h ALA 332 Cb 1.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1gk1 h ALA 332 CO 0.08 0.78 -0.27 0.00 0.00 0.00 0.00 179.25 179.85 1gk1 n ALA 333 N -2.43 3.00 -1.82 0.00 0.00 -0.80 -4.89 120.51 113.58 1gk1 n ALA 333 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 1gk1 n ALA 333 Cb 0.63 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 1gk1 n ALA 333 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1gk1 s TRP 334 N -2.94 3.53 -2.06 0.00 -0.00 -1.15 -4.93 118.94 111.39 1gk1 s TRP 334 Ca 0.14 1.65 0.18 0.00 -0.00 0.00 0.00 56.10 58.07 1gk1 s TRP 334 Cb 0.18 -3.32 0.99 0.00 -0.00 0.00 0.00 33.47 31.32 1gk1 s TRP 334 CO 0.61 -0.70 1.65 -0.40 -0.00 0.00 0.00 176.95 178.11 1gk1 n ASP 335 N 1.40 0.37 -1.67 5.86 5.68 -1.26 -4.90 116.55 122.03 1gk1 n ASP 335 Ca -0.00 -1.50 -0.15 0.00 -0.50 0.00 0.00 54.79 52.63 1gk1 n ASP 335 Cb 0.45 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.39 1gk1 n ASP 335 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gk1 n ARG 336 N -0.53 -1.20 -4.78 0.11 1.74 -1.26 -4.96 116.66 105.78 1gk1 n ARG 336 Ca 0.14 0.78 -0.31 0.00 -0.77 0.00 0.00 57.85 57.68 1gk1 n ARG 336 Cb 0.12 -5.10 -0.13 0.00 -1.02 0.00 0.00 32.46 26.33 1gk1 n ARG 336 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1gk1 s GLU 337 N -4.59 2.16 -1.36 5.56 0.41 -1.26 -0.24 118.70 119.38 1gk1 s GLU 337 Ca 0.00 -0.92 -0.08 0.00 -0.41 0.00 0.00 54.97 53.56 1gk1 s GLU 337 Cb 0.00 -2.21 0.10 0.00 -1.78 0.00 0.00 34.13 30.25 1gk1 s GLU 337 CO 0.00 0.56 2.26 1.19 -0.49 0.00 0.00 175.26 178.78 1gk1 n PHE 338 N 1.80 2.78 -2.62 1.61 3.72 -0.47 -4.85 117.46 119.42 1gk1 n PHE 338 Ca -0.16 -2.86 -0.25 0.00 -0.05 0.00 0.00 57.45 54.12 1gk1 n PHE 338 Cb 0.52 -2.03 0.02 0.00 -0.94 0.00 0.00 39.48 37.06 1gk1 n PHE 338 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1gk1 s THR 339 N 0.24 3.91 0.35 4.37 -4.23 -1.26 -0.72 115.64 118.30 1gk1 s THR 339 Ca 0.50 -0.15 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 1gk1 s THR 339 Cb 0.15 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.73 1gk1 s THR 339 CO -0.05 -0.46 2.00 0.28 -0.54 0.00 0.00 174.62 175.84 1gk1 h SER 340 N 0.07 0.67 -0.04 3.99 0.02 -1.93 -2.78 113.55 113.55 1gk1 h SER 340 Ca -0.46 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1gk1 h SER 340 Cb 1.25 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1gk1 h SER 340 CO 0.60 0.51 0.00 -0.90 -1.14 0.00 0.00 176.83 175.90 1gk1 n ASP 341 N -4.42 1.33 -4.72 3.07 5.75 -1.26 0.66 116.55 116.96 1gk1 n ASP 341 Ca 0.05 -1.48 -0.42 0.00 -0.01 0.00 0.00 54.79 52.93 1gk1 n ASP 341 Cb 0.07 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 1gk1 n ASP 341 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1gk1 s SER 342 N -1.91 6.38 0.00 -1.12 0.15 -1.05 -4.67 113.70 111.48 1gk1 s SER 342 Ca 0.38 2.88 0.19 0.00 0.70 0.00 0.00 55.95 60.10 1gk1 s SER 342 Cb 0.20 -2.60 -0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1gk1 s SER 342 CO 0.32 -0.97 0.90 0.54 1.20 0.00 0.00 173.24 175.23 1gk1 n ARG 343 N 3.84 1.25 -0.00 5.44 1.74 -1.26 -0.23 116.66 127.43 1gk1 n ARG 343 Ca 0.15 -0.55 0.06 0.00 -0.77 0.00 0.00 57.85 56.74 1gk1 n ARG 343 Cb 0.35 -1.37 -0.09 0.00 -1.02 0.00 0.00 32.46 30.33 1gk1 n ARG 343 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk1 n ALA 344 N -0.61 2.70 -0.06 7.54 0.00 -1.26 -4.11 120.51 124.71 1gk1 n ALA 344 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1gk1 n ALA 344 Cb 0.36 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1gk1 n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 h ALA 345 N 1.21 -0.12 -0.33 0.00 0.00 -1.91 -1.10 119.26 117.01 1gk1 h ALA 345 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1gk1 h ALA 345 Cb 0.47 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1gk1 h ALA 345 CO 0.00 -0.66 0.12 -0.07 0.00 0.00 0.00 179.25 178.64 1gk1 h LEU 346 N -0.24 0.14 -1.27 0.00 3.38 -1.86 -1.08 115.31 114.38 1gk1 h LEU 346 Ca 0.14 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.16 1gk1 h LEU 346 Cb 0.46 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1gk1 h LEU 346 CO -0.40 0.12 0.50 0.25 0.09 0.00 0.00 178.44 179.00 1gk1 h LEU 347 N 0.27 0.85 -0.59 1.67 5.85 -1.71 -2.01 115.31 119.64 1gk1 h LEU 347 Ca 0.15 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1gk1 h LEU 347 Cb 0.12 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1gk1 h LEU 347 CO -0.15 0.61 0.00 0.15 -0.34 0.00 0.00 178.44 178.71 1gk1 h PHE 348 N 1.00 1.13 -0.38 1.25 3.57 -0.22 -2.18 116.94 121.11 1gk1 h PHE 348 Ca 0.28 -0.19 0.02 0.00 3.53 0.00 0.00 57.97 61.61 1gk1 h PHE 348 Cb -0.07 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 1gk1 h PHE 348 CO -0.00 1.00 0.20 0.93 -2.23 0.00 0.00 178.31 178.21 1gk1 h GLU 349 N 0.93 0.40 -0.65 1.11 5.08 -0.63 0.20 114.58 121.02 1gk1 h GLU 349 Ca 0.17 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1gk1 h GLU 349 Cb 0.55 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 1gk1 h GLU 349 CO 0.03 0.27 0.40 0.93 -1.00 0.00 0.00 179.01 179.63 1gk1 h GLU 350 N 0.41 0.87 -0.24 2.33 4.39 -1.18 0.16 114.58 121.32 1gk1 h GLU 350 Ca 0.16 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1gk1 h GLU 350 Cb 0.04 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.50 1gk1 h GLU 350 CO -0.10 0.60 -0.36 2.35 -1.16 0.00 0.00 179.01 180.35 1gk1 h TRP 351 N 0.89 0.82 -0.55 4.33 7.01 -0.94 -3.10 115.95 124.41 1gk1 h TRP 351 Ca 0.23 -0.28 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 1gk1 h TRP 351 Cb -0.05 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 1gk1 h TRP 351 CO 0.00 1.03 0.34 0.00 -2.79 0.00 0.00 178.44 177.02 1gk1 h ALA 352 N 0.65 1.55 -0.21 2.65 0.00 0.00 -0.67 119.26 123.24 1gk1 h ALA 352 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1gk1 h ALA 352 Cb 0.95 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1gk1 h ALA 352 CO 0.08 0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.87 1gk1 h ARG 353 N 0.76 0.21 0.10 0.00 3.08 -0.64 0.24 114.38 118.14 1gk1 h ARG 353 Ca 0.20 -0.01 -0.28 0.00 0.07 0.00 0.00 59.98 59.96 1gk1 h ARG 353 Cb -0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1gk1 h ARG 353 CO -0.04 0.14 -1.46 -0.07 -1.07 0.00 0.00 179.97 177.47 1gk1 h LEU 354 N 0.22 0.35 -0.49 3.04 3.38 -1.37 -1.98 115.31 118.45 1gk1 h LEU 354 Ca 0.08 -0.83 -0.04 0.00 0.09 0.00 0.00 57.88 57.18 1gk1 h LEU 354 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1gk1 h LEU 354 CO -0.02 1.63 0.15 0.15 0.09 0.00 0.00 178.44 180.45 1gk1 h PHE 355 N -0.33 0.79 0.00 1.13 3.57 -0.90 -3.33 116.94 117.87 1gk1 h PHE 355 Ca -0.32 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1gk1 h PHE 355 Cb 1.75 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1gk1 h PHE 355 CO 0.12 0.69 -0.01 0.00 -2.23 0.00 0.00 178.31 176.88 1gk1 n ALA 356 N -2.36 2.10 0.00 2.41 0.00 0.83 -4.38 120.51 119.11 1gk1 n ALA 356 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.75 1gk1 n ALA 356 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1gk1 n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gk1 n GLY 357 N -0.90 -0.35 0.32 0.00 0.00 -0.75 0.26 105.19 103.78 1gk1 n GLY 357 Ca 0.07 -1.69 0.15 0.00 0.00 0.00 0.00 46.02 44.55 1gk1 n GLY 357 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gk1 h GLN 358 N 0.00 0.00 -0.29 1.61 1.08 -1.87 -0.54 115.11 115.10 1gk1 h GLN 358 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1gk1 h GLN 358 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1gk1 h GLN 358 CO 0.00 0.00 0.00 0.27 -0.95 0.00 0.00 178.83 178.15 1gk1 n ASN 359 N -4.33 3.35 -1.20 1.46 6.94 -1.26 -4.95 115.26 115.27 1gk1 n ASN 359 Ca 0.03 -2.00 -0.16 0.00 -0.02 0.00 0.00 54.58 52.43 1gk1 n ASN 359 Cb 0.33 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.50 1gk1 n ASN 359 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 1gk1 n PHE 360 N 1.46 0.00 1.09 -2.53 3.72 -0.21 -4.82 117.46 116.17 1gk1 n PHE 360 Ca 0.18 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.70 1gk1 n PHE 360 Cb 0.61 -2.92 0.14 0.00 -0.94 0.00 0.00 39.48 36.37 1gk1 n PHE 360 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gk1 n ALA 361 N 1.29 3.05 -1.75 4.37 0.00 -1.08 -4.82 120.51 121.57 1gk1 n ALA 361 Ca -0.16 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.29 1gk1 n ALA 361 Cb 0.58 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 19.18 1gk1 n ALA 361 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1gk1 s GLY 362 N -2.28 2.90 -0.00 0.00 0.00 0.14 -4.96 107.32 103.11 1gk1 s GLY 362 Ca 0.24 1.36 0.03 0.00 0.00 0.00 0.00 44.72 46.36 1gk1 s GLY 362 CO 0.46 1.91 0.09 -1.06 0.00 0.00 0.00 173.10 174.49 1gk1 n GLN 363 N -0.78 1.29 0.08 2.90 1.13 -1.26 -4.76 117.38 115.99 1gk1 n GLN 363 Ca 0.09 -0.03 0.18 0.00 -1.94 0.00 0.00 57.00 55.30 1gk1 n GLN 363 Cb 0.44 -1.00 0.72 0.00 0.11 0.00 0.00 30.24 30.51 1gk1 n GLN 363 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gk1 h ALA 364 N 0.35 2.25 0.00 -1.58 0.00 -1.92 -2.75 119.26 115.61 1gk1 h ALA 364 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gk1 h ALA 364 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gk1 h ALA 364 CO 0.00 -0.50 0.00 0.78 0.00 0.00 0.00 179.25 179.53 1gk1 h GLY 365 N 0.00 0.00 -2.81 0.00 0.00 -1.86 -3.47 103.07 94.93 1gk1 h GLY 365 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 47.02 1gk1 h GLY 365 CO -0.00 0.00 0.43 -1.36 0.00 0.00 0.00 176.54 175.61 1gk1 s PHE 366 N -3.20 3.21 -0.01 5.60 0.08 -1.04 -0.17 117.98 122.46 1gk1 s PHE 366 Ca 0.08 1.63 -0.21 0.00 0.12 0.00 0.00 56.93 58.55 1gk1 s PHE 366 Cb 0.09 -3.18 -0.25 0.00 -0.57 0.00 0.00 43.02 39.11 1gk1 s PHE 366 CO 0.60 -0.78 1.04 0.00 -0.10 0.00 0.00 175.22 175.99 1gk1 h ALA 367 N 2.48 0.03 -3.18 5.36 0.00 -0.76 -3.38 119.26 119.82 1gk1 h ALA 367 Ca -0.48 -0.59 -0.67 0.00 0.00 0.00 0.00 54.91 53.17 1gk1 h ALA 367 Cb 1.22 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 18.76 1gk1 h ALA 367 CO 0.62 0.33 -0.70 0.99 0.00 0.00 0.00 179.25 180.49 1gk1 s THR 368 N -3.02 3.27 0.82 0.00 2.01 0.89 -4.93 115.64 114.68 1gk1 s THR 368 Ca -0.14 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 1gk1 s THR 368 Cb 0.03 -2.66 0.08 0.00 0.01 0.00 0.00 72.50 69.96 1gk1 s THR 368 CO 0.82 0.17 1.09 -2.16 -0.69 0.00 0.00 174.62 173.84 1gk1 s PRO 369 N 1.39 1.87 0.49 4.92 0.04 -1.26 -0.41 135.00 142.04 1gk1 s PRO 369 Ca 0.01 1.01 -0.23 0.00 0.04 0.00 0.00 61.00 61.83 1gk1 s PRO 369 Cb -0.17 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 1gk1 s PRO 369 CO -0.02 -1.87 1.26 -0.46 0.04 0.00 0.00 177.00 175.95 1gk1 s TRP 370 N -2.93 2.63 -0.09 0.56 -0.00 -1.26 -4.53 118.94 113.31 1gk1 s TRP 370 Ca 0.62 1.46 -0.05 0.00 -0.00 0.00 0.00 56.10 58.12 1gk1 s TRP 370 Cb -0.17 -3.58 0.04 0.00 -0.00 0.00 0.00 33.47 29.76 1gk1 s TRP 370 CO 0.56 -2.13 0.21 0.45 -0.00 0.00 0.00 176.95 176.05 1gk1 s SER 371 N -1.14 -0.22 0.49 5.86 0.15 -1.26 -4.95 113.70 112.63 1gk1 s SER 371 Ca 0.66 0.44 0.33 0.00 0.70 0.00 0.00 55.95 58.09 1gk1 s SER 371 Cb -0.34 0.37 1.74 0.00 -1.71 0.00 0.00 66.02 66.08 1gk1 s SER 371 CO 0.41 -0.13 2.02 0.25 1.20 0.00 0.00 173.24 176.99 1gk1 h LEU 372 N 6.72 0.00 -0.46 3.45 5.85 -1.96 0.07 115.31 128.99 1gk1 h LEU 372 Ca -0.36 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1gk1 h LEU 372 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1gk1 h LEU 372 CO 0.39 0.00 -0.19 0.44 -0.34 0.00 0.00 178.44 178.74 1gk1 h ASP 373 N 0.00 0.00 -2.06 1.25 3.32 -2.01 -3.27 116.42 113.64 1gk1 h ASP 373 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1gk1 h ASP 373 Cb 0.08 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.22 1gk1 h ASP 373 CO 0.00 0.19 -1.07 0.29 -1.72 0.00 0.00 179.24 176.92 1gk1 n LYS 374 N -3.20 1.44 0.32 3.56 5.02 -0.05 -4.97 118.16 120.28 1gk1 n LYS 374 Ca 0.02 -3.69 0.20 0.00 -2.02 0.00 0.00 58.31 52.82 1gk1 n LYS 374 Cb 0.53 -1.79 1.08 0.00 -0.02 0.00 0.00 35.03 34.82 1gk1 n LYS 374 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1gk1 h PRO 375 N 3.08 0.00 -0.11 1.97 0.13 -1.45 -2.78 132.00 132.83 1gk1 h PRO 375 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1gk1 h PRO 375 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1gk1 h PRO 375 CO 0.57 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.67 1gk1 n VAL 376 N -3.34 1.61 -0.91 1.56 0.24 -1.26 -4.63 118.33 111.60 1gk1 n VAL 376 Ca -0.03 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 1gk1 n VAL 376 Cb 0.12 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 1gk1 n VAL 376 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1gk1 n SER 377 N -0.68 0.16 -4.18 -1.34 3.41 -1.07 -4.98 113.62 104.95 1gk1 n SER 377 Ca 0.12 -1.07 -0.13 0.00 -0.26 0.00 0.00 58.87 57.54 1gk1 n SER 377 Cb 0.56 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 1gk1 n SER 377 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gk1 s THR 378 N -0.07 0.87 1.06 6.66 -4.23 -1.10 -4.58 115.64 114.25 1gk1 s THR 378 Ca 0.00 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 58.55 1gk1 s THR 378 Cb 0.00 -1.55 0.22 0.00 1.34 0.00 0.00 72.50 72.51 1gk1 s THR 378 CO 0.00 -0.71 1.10 -2.16 -0.54 0.00 0.00 174.62 172.31 1gk1 s PRO 379 N -3.34 -0.09 0.05 3.99 0.04 -1.26 -4.76 135.00 129.63 1gk1 s PRO 379 Ca 0.10 0.31 -0.20 0.00 0.04 0.00 0.00 61.00 61.24 1gk1 s PRO 379 Cb 0.01 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.90 1gk1 s PRO 379 CO -0.02 -3.03 0.47 -0.47 0.04 0.00 0.00 177.00 173.99 1gk1 s TYR 380 N -3.00 -0.35 0.15 0.56 5.04 0.45 -4.95 117.35 115.25 1gk1 s TYR 380 Ca 0.67 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 55.63 1gk1 s TYR 380 Cb -0.16 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1gk1 s TYR 380 CO 0.57 -0.62 0.00 0.41 -1.34 0.00 0.00 175.55 174.57 1gk1 n GLY 381 N 0.39 -2.46 3.35 8.97 0.00 0.13 -0.08 105.19 115.49 1gk1 n GLY 381 Ca -0.18 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 1gk1 n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 382 N -2.82 3.69 0.14 1.61 1.01 -1.26 -1.98 120.40 120.79 1gk1 s VAL 382 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 1gk1 s VAL 382 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1gk1 s VAL 382 CO 0.00 0.37 1.61 -0.09 0.00 0.00 0.00 175.10 176.99 1gk1 h ARG 383 N 8.16 0.74 -3.18 2.72 2.43 -0.74 -3.38 114.38 121.12 1gk1 h ARG 383 Ca -0.40 -0.20 -0.63 0.00 -0.81 0.00 0.00 59.98 57.94 1gk1 h ARG 383 Cb 1.16 -0.08 -0.41 0.00 -0.42 0.00 0.00 29.97 30.22 1gk1 h ARG 383 CO 0.59 0.77 -0.66 0.34 -1.51 0.00 0.00 179.97 179.50 1gk1 s ASP 384 N -6.16 4.10 0.18 -3.80 -1.08 -1.26 -4.94 116.67 103.72 1gk1 s ASP 384 Ca -0.13 -3.05 -0.13 0.00 -0.52 0.00 0.00 52.55 48.72 1gk1 s ASP 384 Cb 0.11 -1.42 0.17 0.00 -1.46 0.00 0.00 42.92 40.32 1gk1 s ASP 384 CO 0.79 -0.21 1.74 -0.65 0.52 0.00 0.00 175.17 177.36 1gk1 h PRO 385 N 6.34 0.31 -0.33 4.34 0.11 -1.94 0.14 132.00 140.98 1gk1 h PRO 385 Ca -0.01 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.14 1gk1 h PRO 385 Cb 0.88 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.86 1gk1 h PRO 385 CO 0.62 0.20 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.37 1gk1 h LYS 386 N 0.32 0.06 -0.34 1.05 3.11 -1.95 0.35 116.57 119.18 1gk1 h LYS 386 Ca 0.24 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.98 1gk1 h LYS 386 Cb 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1gk1 h LYS 386 CO -0.26 0.04 -0.17 0.00 -2.81 0.00 0.00 179.45 176.25 1gk1 h ALA 387 N 1.30 1.08 -0.20 5.00 0.00 -1.83 -2.52 119.26 122.08 1gk1 h ALA 387 Ca 0.16 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1gk1 h ALA 387 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gk1 h ALA 387 CO -0.29 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 1gk1 h ALA 388 N 1.26 1.55 -0.03 0.00 0.00 0.36 -1.83 119.26 120.57 1gk1 h ALA 388 Ca 0.09 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1gk1 h ALA 388 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1gk1 h ALA 388 CO 0.04 0.33 -0.68 0.28 0.00 0.00 0.00 179.25 179.21 1gk1 h VAL 389 N 0.29 1.44 -0.54 0.00 2.07 -0.55 -1.67 116.25 117.28 1gk1 h VAL 389 Ca 0.06 -2.21 -0.11 0.00 0.82 0.00 0.00 66.70 65.26 1gk1 h VAL 389 Cb 0.28 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1gk1 h VAL 389 CO 0.01 0.64 -0.11 0.44 0.02 0.00 0.00 177.57 178.58 1gk1 h ASP 390 N 0.12 1.01 -0.37 0.57 3.32 -1.08 -1.63 116.42 118.36 1gk1 h ASP 390 Ca -0.02 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1gk1 h ASP 390 Cb 1.22 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1gk1 h ASP 390 CO 0.10 1.12 0.06 1.56 -1.72 0.00 0.00 179.24 180.36 1gk1 h GLN 391 N 0.90 0.70 -0.62 3.56 4.20 -1.17 -2.16 115.11 120.51 1gk1 h GLN 391 Ca 0.14 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 1gk1 h GLN 391 Cb 0.67 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 1gk1 h GLN 391 CO 0.05 0.67 0.04 1.25 -0.67 0.00 0.00 178.83 180.17 1gk1 h LEU 392 N 0.67 1.03 -0.48 1.46 5.85 -0.89 0.12 115.31 123.07 1gk1 h LEU 392 Ca 0.14 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1gk1 h LEU 392 Cb 0.32 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1gk1 h LEU 392 CO 0.01 1.06 0.28 -0.09 -0.34 0.00 0.00 178.44 179.35 1gk1 h ARG 393 N 0.98 0.54 -0.34 1.25 2.43 -0.76 -0.23 114.38 118.25 1gk1 h ARG 393 Ca 0.18 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1gk1 h ARG 393 Cb 0.50 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1gk1 h ARG 393 CO 0.02 0.36 -0.29 1.15 -1.51 0.00 0.00 179.97 179.70 1gk1 h THR 394 N 0.56 1.28 -0.42 0.20 2.02 -1.11 -2.84 112.91 112.60 1gk1 h THR 394 Ca 0.20 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 1gk1 h THR 394 Cb 0.03 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 1gk1 h THR 394 CO -0.10 0.47 0.16 0.00 0.37 0.00 0.00 175.52 176.42 1gk1 h ALA 395 N 1.06 1.50 -0.46 6.16 0.00 0.04 -0.51 119.26 127.05 1gk1 h ALA 395 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1gk1 h ALA 395 Cb 0.81 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1gk1 h ALA 395 CO 0.07 0.39 0.17 0.82 0.00 0.00 0.00 179.25 180.70 1gk1 h ILE 396 N 0.59 1.21 -0.53 0.00 2.04 -0.83 0.82 117.51 120.81 1gk1 h ILE 396 Ca 0.14 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1gk1 h ILE 396 Cb 0.14 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1gk1 h ILE 396 CO -0.01 0.25 0.15 0.00 0.00 0.00 0.00 178.15 178.53 1gk1 h ALA 397 N 1.02 0.70 -0.22 1.87 0.00 -1.25 -2.12 119.26 119.27 1gk1 h ALA 397 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1gk1 h ALA 397 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gk1 h ALA 397 CO -0.01 0.38 -0.28 -0.91 0.00 0.00 0.00 179.25 178.43 1gk1 h ASN 398 N 0.74 0.42 -0.35 0.00 2.35 -0.85 -1.59 115.58 116.31 1gk1 h ASN 398 Ca 0.17 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1gk1 h ASN 398 Cb 0.31 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1gk1 h ASN 398 CO -0.00 0.70 -0.13 0.74 -1.65 0.00 0.00 177.43 177.08 1gk1 h THR 399 N 0.37 1.28 -0.53 2.81 2.02 -0.61 -1.61 112.91 116.65 1gk1 h THR 399 Ca 0.05 -1.23 -0.08 0.00 0.77 0.00 0.00 66.41 65.92 1gk1 h THR 399 Cb 0.69 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1gk1 h THR 399 CO 0.05 0.40 -0.00 0.11 0.37 0.00 0.00 175.52 176.45 1gk1 h LYS 400 N 0.49 0.93 -0.62 6.66 1.57 -1.28 0.74 116.57 125.06 1gk1 h LYS 400 Ca 0.08 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1gk1 h LYS 400 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1gk1 h LYS 400 CO 0.04 0.95 0.37 -0.09 -0.57 0.00 0.00 179.45 180.16 1gk1 h ARG 401 N 0.81 0.84 0.19 3.15 2.43 -1.20 0.33 114.38 120.93 1gk1 h ARG 401 Ca 0.15 -0.08 -0.27 0.00 -0.81 0.00 0.00 59.98 58.97 1gk1 h ARG 401 Cb 0.53 -0.18 0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1gk1 h ARG 401 CO 0.03 0.60 -1.22 0.87 -1.51 0.00 0.00 179.97 178.74 1gk1 h LYS 402 N 0.84 0.40 -0.01 0.20 1.57 -1.17 -3.40 116.57 115.00 1gk1 h LYS 402 Ca 0.22 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1gk1 h LYS 402 Cb -0.02 0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1gk1 h LYS 402 CO -0.04 1.33 -0.13 0.66 -0.57 0.00 0.00 179.45 180.70 1gk1 n TYR 403 N -3.90 0.00 -0.46 -1.35 4.01 0.24 -3.74 117.16 111.96 1gk1 n TYR 403 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1gk1 n TYR 403 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1gk1 n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gk1 n GLY 404 N 0.72 1.37 3.59 2.72 0.00 0.12 -4.89 105.19 108.81 1gk1 n GLY 404 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1gk1 n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gk1 s ALA 405 N -3.19 -1.85 -0.97 4.61 0.00 -1.26 -4.91 121.76 114.20 1gk1 s ALA 405 Ca 0.00 0.85 0.24 0.00 0.00 0.00 0.00 51.96 53.05 1gk1 s ALA 405 Cb 0.00 0.39 0.32 0.00 0.00 0.00 0.00 23.12 23.84 1gk1 s ALA 405 CO 0.00 -0.79 1.28 0.44 0.00 0.00 0.00 175.76 176.69 1gk1 n ILE 406 N -0.30 0.02 -1.94 0.00 -5.35 -1.26 -4.18 119.36 106.36 1gk1 n ILE 406 Ca -0.07 -0.02 -0.11 0.00 -0.27 0.00 0.00 62.75 62.28 1gk1 n ILE 406 Cb 0.61 0.39 0.09 0.00 -1.74 0.00 0.00 39.64 38.99 1gk1 n ILE 406 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1gk1 n ASP 407 N -1.54 3.45 -4.73 7.28 5.75 -1.26 -4.47 116.55 121.03 1gk1 n ASP 407 Ca 0.05 -3.64 -0.41 0.00 -0.01 0.00 0.00 54.79 50.78 1gk1 n ASP 407 Cb 0.34 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 1gk1 n ASP 407 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1gk1 s ARG 408 N -3.35 4.57 0.14 0.11 3.52 -1.26 -4.76 118.95 117.91 1gk1 s ARG 408 Ca 0.44 1.69 -0.35 0.00 -0.13 0.00 0.00 55.73 57.39 1gk1 s ARG 408 Cb 0.39 -3.31 -0.15 0.00 -1.56 0.00 0.00 34.95 30.32 1gk1 s ARG 408 CO -0.01 0.01 1.45 -2.30 -0.81 0.00 0.00 175.30 173.64 1gk1 n PRO 409 N 2.78 1.70 -0.19 5.12 -0.02 -1.26 -4.61 135.00 138.52 1gk1 n PRO 409 Ca 0.04 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1gk1 n PRO 409 Cb 0.47 -2.31 0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1gk1 n PRO 409 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1gk1 h PHE 410 N 5.10 0.16 0.00 6.00 3.57 -0.45 -1.09 116.94 130.23 1gk1 h PHE 410 Ca -0.46 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1gk1 h PHE 410 Cb 1.29 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1gk1 h PHE 410 CO 0.60 -0.05 0.00 0.41 -2.23 0.00 0.00 178.31 177.05 1gk1 n GLY 411 N -1.32 -1.08 0.10 2.40 0.00 0.21 -0.70 105.19 104.80 1gk1 n GLY 411 Ca 0.08 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1gk1 n GLY 411 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gk1 h ASP 412 N 0.00 0.25 0.10 1.61 1.82 -1.40 -3.35 116.42 115.45 1gk1 h ASP 412 Ca 0.00 -0.40 -0.34 0.00 -0.39 0.00 0.00 57.03 55.90 1gk1 h ASP 412 Cb 0.22 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1gk1 h ASP 412 CO 0.00 1.35 -1.82 0.00 -1.61 0.00 0.00 179.24 177.15 1gk1 h ALA 413 N 0.62 0.38 -1.94 -0.78 0.00 -1.37 -3.45 119.26 112.71 1gk1 h ALA 413 Ca -0.26 -1.34 -0.61 0.00 0.00 0.00 0.00 54.91 52.70 1gk1 h ALA 413 Cb 2.00 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 20.37 1gk1 h ALA 413 CO 0.12 1.16 0.53 -1.12 0.00 0.00 0.00 179.25 179.95 1gk1 s SER 414 N -7.03 6.46 0.17 0.00 0.01 0.12 -1.00 113.70 112.44 1gk1 s SER 414 Ca -0.23 0.02 0.09 0.00 1.31 0.00 0.00 55.95 57.13 1gk1 s SER 414 Cb 0.06 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1gk1 s SER 414 CO 0.74 -1.04 -0.18 -0.13 0.41 0.00 0.00 173.24 173.04 1gk1 s ARG 415 N 3.67 1.30 -0.28 12.44 1.81 -0.18 -0.36 118.95 137.35 1gk1 s ARG 415 Ca 0.35 -1.45 0.01 0.00 -1.72 0.00 0.00 55.73 52.92 1gk1 s ARG 415 Cb -0.11 -1.33 0.06 0.00 -0.45 0.00 0.00 34.95 33.12 1gk1 s ARG 415 CO 0.25 0.26 -0.06 -1.64 -0.68 0.00 0.00 175.30 173.43 1gk1 s MET 416 N -2.93 2.28 -0.22 3.54 -1.94 -0.01 -3.94 119.30 116.08 1gk1 s MET 416 Ca 0.17 -1.35 0.02 0.00 -1.71 0.00 0.00 55.69 52.82 1gk1 s MET 416 Cb -0.05 -3.02 0.04 0.00 2.01 0.00 0.00 34.83 33.81 1gk1 s MET 416 CO 0.07 -0.61 -0.16 0.42 -0.01 0.00 0.00 175.02 174.73 1gk1 s ILE 417 N 1.15 2.12 -0.14 2.53 1.01 -1.26 -1.45 121.20 125.16 1gk1 s ILE 417 Ca -0.07 -1.27 -0.01 0.00 0.00 0.00 0.00 60.65 59.31 1gk1 s ILE 417 Cb -0.20 -2.06 0.04 0.00 0.01 0.00 0.00 42.46 40.25 1gk1 s ILE 417 CO -0.04 0.27 -0.04 -0.76 0.00 0.00 0.00 174.94 174.38 1gk1 s LEU 418 N 1.20 1.26 0.00 2.97 1.02 -0.45 -5.01 118.68 119.68 1gk1 s LEU 418 Ca -0.02 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1gk1 s LEU 418 Cb -0.16 -0.77 0.00 0.00 0.02 0.00 0.00 46.19 45.27 1gk1 s LEU 418 CO -0.09 -0.18 0.00 0.59 0.02 0.00 0.00 176.35 176.69 1gk1 n ASN 419 N 4.96 0.00 -0.37 2.29 3.02 -1.26 -0.88 115.26 123.03 1gk1 n ASN 419 Ca -0.11 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.57 1gk1 n ASN 419 Cb 0.49 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 40.04 1gk1 n ASN 419 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1gk1 n ASP 420 N 7.18 1.33 -4.69 6.41 8.00 -1.26 -4.87 116.55 128.66 1gk1 n ASP 420 Ca 0.00 -1.17 -0.39 0.00 0.71 0.00 0.00 54.79 53.94 1gk1 n ASP 420 Cb 0.00 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 1gk1 n ASP 420 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1gk1 s VAL 421 N -2.33 5.12 -0.26 2.53 1.01 -0.06 -5.04 120.40 121.38 1gk1 s VAL 421 Ca 0.28 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 1gk1 s VAL 421 Cb 0.20 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.80 1gk1 s VAL 421 CO 0.46 0.23 0.06 0.21 0.00 0.00 0.00 175.10 176.05 1gk1 s ASN 422 N 0.95 3.56 0.15 3.32 3.84 -1.26 -1.34 114.94 124.16 1gk1 s ASN 422 Ca 0.26 -1.26 0.10 0.00 0.21 0.00 0.00 52.86 52.18 1gk1 s ASN 422 Cb -0.15 -0.78 -0.04 0.00 -0.55 0.00 0.00 41.25 39.73 1gk1 s ASN 422 CO 0.10 -0.35 -0.24 0.68 -2.79 0.00 0.00 177.10 174.50 1gk1 s VAL 423 N 1.70 2.16 0.43 -5.21 -7.23 -0.53 -4.96 120.40 106.76 1gk1 s VAL 423 Ca 0.04 -1.83 -0.25 0.00 -1.81 0.00 0.00 61.98 58.13 1gk1 s VAL 423 Cb -0.17 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.73 1gk1 s VAL 423 CO -0.17 -0.04 1.31 -2.16 -0.31 0.00 0.00 175.10 173.74 1gk1 s PRO 424 N -2.31 3.84 0.47 4.82 0.04 -1.26 -0.83 135.00 139.77 1gk1 s PRO 424 Ca 0.15 2.17 0.06 0.00 0.04 0.00 0.00 61.00 63.42 1gk1 s PRO 424 Cb -0.09 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.80 1gk1 s PRO 424 CO 0.07 -0.61 0.65 0.20 0.04 0.00 0.00 177.00 177.35 1gk1 s GLY 425 N -0.78 1.90 0.19 0.56 0.00 0.51 -4.74 107.32 104.97 1gk1 s GLY 425 Ca 0.59 -1.58 -0.21 0.00 0.00 0.00 0.00 44.72 43.53 1gk1 s GLY 425 CO 0.49 -1.35 0.58 0.00 0.00 0.00 0.00 173.10 172.82 1gk1 s ALA 426 N -2.50 -1.31 0.27 3.20 0.00 -1.26 -4.12 121.76 116.04 1gk1 s ALA 426 Ca 0.56 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1gk1 s ALA 426 Cb -0.10 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1gk1 s ALA 426 CO 0.35 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 175.30 1gk1 n ALA 427 N -0.37 -2.02 -2.14 0.00 0.00 0.11 -4.85 120.51 111.24 1gk1 n ALA 427 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1gk1 n ALA 427 Cb 0.63 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.30 1gk1 n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gk1 n GLY 428 N -3.44 3.41 3.72 0.00 0.00 -1.25 -4.72 105.19 102.90 1gk1 n GLY 428 Ca -0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1gk1 n GLY 428 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gk1 s TYR 429 N 0.08 2.97 0.31 1.61 2.02 -1.23 -2.13 117.35 120.98 1gk1 s TYR 429 Ca 0.00 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.25 1gk1 s TYR 429 Cb 0.00 -4.03 0.52 0.00 -0.40 0.00 0.00 41.96 38.05 1gk1 s TYR 429 CO 0.00 -3.82 1.82 0.78 -1.57 0.00 0.00 175.55 172.76 1gk1 h GLY 430 N 6.62 0.58 2.00 0.71 0.00 -1.90 -2.59 103.07 108.50 1gk1 h GLY 430 Ca -0.43 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1gk1 h GLY 430 CO 0.92 0.35 0.00 0.70 0.00 0.00 0.00 176.54 178.52 1gk1 n ASN 431 N -4.23 0.06 -0.43 0.19 3.02 -1.26 -1.02 115.26 111.60 1gk1 n ASN 431 Ca 0.01 0.52 0.12 0.00 -0.03 0.00 0.00 54.58 55.20 1gk1 n ASN 431 Cb 0.29 -0.53 0.24 0.00 -0.61 0.00 0.00 39.78 39.18 1gk1 n ASN 431 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gk1 n LEU 432 N -1.57 1.61 0.00 3.41 4.77 -0.98 -4.41 117.00 119.82 1gk1 n LEU 432 Ca 0.03 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1gk1 n LEU 432 Cb 0.15 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1gk1 n LEU 432 CO 0.12 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1gk1 n GLY 433 N 1.35 1.13 3.69 -0.72 0.00 -0.18 -1.68 105.19 108.77 1gk1 n GLY 433 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1gk1 n GLY 433 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gk1 s SER 434 N -1.99 6.61 -0.11 1.61 0.15 -1.10 -4.42 113.70 114.45 1gk1 s SER 434 Ca 0.00 2.47 -0.28 0.00 0.70 0.00 0.00 55.95 58.84 1gk1 s SER 434 Cb 0.00 -2.56 -0.25 0.00 -1.71 0.00 0.00 66.02 61.50 1gk1 s SER 434 CO 0.00 -0.89 0.91 0.15 1.20 0.00 0.00 173.24 174.61 1gk1 h PHE 435 N 8.39 0.02 -3.23 3.44 3.57 -1.72 -3.37 116.94 124.05 1gk1 h PHE 435 Ca -0.42 -0.01 -0.55 0.00 3.53 0.00 0.00 57.97 60.52 1gk1 h PHE 435 Cb 1.20 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1gk1 h PHE 435 CO 0.78 0.87 0.56 0.50 -2.23 0.00 0.00 178.31 178.80 1gk1 s ARG 436 N -2.78 4.43 -0.06 1.11 3.52 -0.62 -4.96 118.95 119.60 1gk1 s ARG 436 Ca -0.18 1.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.98 1gk1 s ARG 436 Cb -0.02 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1gk1 s ARG 436 CO 0.69 -0.29 -0.10 0.08 -0.81 0.00 0.00 175.30 174.88 1gk1 s VAL 437 N 1.70 3.46 -0.26 7.11 1.01 -1.26 -3.96 120.40 128.19 1gk1 s VAL 437 Ca 0.53 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1gk1 s VAL 437 Cb -0.23 -2.39 0.11 0.00 0.00 0.00 0.00 36.38 33.87 1gk1 s VAL 437 CO 0.23 0.60 0.22 -0.36 0.00 0.00 0.00 175.10 175.79 1gk1 s PHE 438 N -0.78 -0.16 -0.86 5.22 0.08 -0.91 -0.57 117.98 119.99 1gk1 s PHE 438 Ca 0.12 -0.25 -0.22 0.00 0.12 0.00 0.00 56.93 56.70 1gk1 s PHE 438 Cb -0.11 -0.56 0.08 0.00 -0.57 0.00 0.00 43.02 41.86 1gk1 s PHE 438 CO 0.01 -0.78 1.19 0.99 -0.10 0.00 0.00 175.22 176.54 1gk1 s THR 439 N 2.27 4.28 0.37 0.64 2.01 0.12 -3.56 115.64 121.76 1gk1 s THR 439 Ca 0.08 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.02 1gk1 s THR 439 Cb -0.15 -4.85 -0.09 0.00 0.01 0.00 0.00 72.50 67.42 1gk1 s THR 439 CO -0.26 -1.66 1.28 0.26 -0.69 0.00 0.00 174.62 173.55 1gk1 s TRP 440 N 4.05 2.95 0.94 4.92 0.52 -1.26 -0.93 118.94 130.13 1gk1 s TRP 440 Ca 0.34 1.44 -0.16 0.00 0.02 0.00 0.00 56.10 57.73 1gk1 s TRP 440 Cb -0.07 -3.63 0.22 0.00 -1.15 0.00 0.00 33.47 28.84 1gk1 s TRP 440 CO -0.02 -1.88 1.26 -1.13 0.02 0.00 0.00 176.95 175.21 1gk1 n SER 441 N 0.40 0.01 -4.77 2.95 3.41 -0.34 -4.84 113.62 110.45 1gk1 n SER 441 Ca 0.02 -1.45 -0.38 0.00 -0.26 0.00 0.00 58.87 56.81 1gk1 n SER 441 Cb 0.43 -0.97 -0.04 0.00 -0.26 0.00 0.00 64.21 63.38 1gk1 n SER 441 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1gk1 s ASP 442 N -5.59 6.83 0.80 4.04 1.01 -1.26 -4.65 116.67 117.86 1gk1 s ASP 442 Ca 0.72 2.18 -0.11 0.00 0.71 0.00 0.00 52.55 56.05 1gk1 s ASP 442 Cb -0.02 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.38 1gk1 s ASP 442 CO 0.50 -0.45 1.09 -2.16 0.21 0.00 0.00 175.17 174.37 1gk1 s PRO 443 N -2.16 2.02 0.25 8.23 0.04 -1.26 -4.71 135.00 137.41 1gk1 s PRO 443 Ca 0.54 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 1gk1 s PRO 443 Cb -0.27 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1gk1 s PRO 443 CO 0.34 -1.78 0.35 -0.40 0.04 0.00 0.00 177.00 175.55 1gk1 n ASP 444 N -3.60 0.26 0.00 6.66 5.68 0.31 -4.82 116.55 121.04 1gk1 n ASP 444 Ca 0.08 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 1gk1 n ASP 444 Cb 0.54 -0.24 0.01 0.00 -1.14 0.00 0.00 41.12 40.28 1gk1 n ASP 444 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1gk1 n GLU 445 N -1.68 0.00 -0.19 0.11 0.00 -1.26 -0.67 120.64 116.94 1gk1 n GLU 445 Ca 0.05 0.46 0.07 0.00 0.00 0.00 0.00 57.16 57.75 1gk1 n GLU 445 Cb 0.18 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.30 1gk1 n GLU 445 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1gk1 n ASN 446 N -1.47 3.07 -0.22 -1.84 5.03 -1.26 -4.95 115.26 113.61 1gk1 n ASN 446 Ca 0.00 -1.93 -0.03 0.00 0.87 0.00 0.00 54.58 53.49 1gk1 n ASN 446 Cb 0.01 -0.26 -0.01 0.00 -1.02 0.00 0.00 39.78 38.50 1gk1 n ASN 446 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gk1 n GLY 447 N 0.86 0.60 3.73 7.41 0.00 0.15 -4.98 105.19 112.96 1gk1 n GLY 447 Ca 0.14 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 1gk1 n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 448 N -1.98 5.24 0.16 1.61 1.01 -1.26 -4.60 120.40 120.57 1gk1 s VAL 448 Ca 0.00 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1gk1 s VAL 448 Cb 0.00 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1gk1 s VAL 448 CO 0.00 0.36 -0.17 0.00 0.00 0.00 0.00 175.10 175.29 1gk1 s ARG 449 N 0.50 1.22 0.18 2.72 1.70 -0.17 -0.53 118.95 124.58 1gk1 s ARG 449 Ca 0.22 -1.39 0.01 0.00 -0.47 0.00 0.00 55.73 54.10 1gk1 s ARG 449 Cb -0.14 -1.22 -0.05 0.00 -0.57 0.00 0.00 34.95 32.98 1gk1 s ARG 449 CO 0.07 0.24 0.04 0.95 -1.08 0.00 0.00 175.30 175.53 1gk1 s THR 450 N -2.16 0.47 0.25 4.99 -4.23 -1.26 -1.01 115.64 112.70 1gk1 s THR 450 Ca 0.15 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 1gk1 s THR 450 Cb -0.05 -2.23 -0.09 0.00 1.34 0.00 0.00 72.50 71.46 1gk1 s THR 450 CO 0.06 -0.34 1.29 -2.84 -0.54 0.00 0.00 174.62 172.25 1gk1 s PRO 451 N -3.99 4.40 -0.04 3.99 0.02 -1.25 -1.20 135.00 136.93 1gk1 s PRO 451 Ca 0.28 2.09 0.12 0.00 0.02 0.00 0.00 61.00 63.51 1gk1 s PRO 451 Cb 0.07 -3.15 -0.18 0.00 0.02 0.00 0.00 34.50 31.25 1gk1 s PRO 451 CO 0.06 -0.19 0.21 0.28 -0.33 0.00 0.00 177.00 177.03 1gk1 n VAL 452 N 1.91 0.22 -3.50 3.83 0.31 -0.11 -4.87 118.33 116.13 1gk1 n VAL 452 Ca 0.04 -0.35 -0.11 0.00 -0.01 0.00 0.00 64.34 63.91 1gk1 n VAL 452 Cb 0.43 -0.04 -0.03 0.00 -0.91 0.00 0.00 33.84 33.29 1gk1 n VAL 452 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1gk1 s HIS 453 N -2.72 -0.44 -1.56 3.52 5.65 -1.22 -1.78 115.29 116.73 1gk1 s HIS 453 Ca -0.05 0.43 0.00 0.00 0.25 0.00 0.00 55.06 55.69 1gk1 s HIS 453 Cb 0.07 0.51 0.00 0.00 -1.18 0.00 0.00 32.58 31.98 1gk1 s HIS 453 CO 0.52 -0.60 0.00 0.41 -0.65 0.00 0.00 174.74 174.42 1gk1 n GLY 454 N 0.03 0.43 3.65 1.59 0.00 -1.16 0.11 105.19 109.84 1gk1 n GLY 454 Ca -0.12 -1.29 -0.50 0.00 0.00 0.00 0.00 46.02 44.11 1gk1 n GLY 454 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gk1 n GLU 455 N 0.00 1.70 0.00 1.61 -0.58 0.26 -3.18 120.64 120.45 1gk1 n GLU 455 Ca 0.00 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.36 1gk1 n GLU 455 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 31.44 28.53 1gk1 n GLU 455 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1gk1 n THR 456 N 3.43 0.00 -3.11 2.62 -2.24 -1.24 -4.64 114.28 109.11 1gk1 n THR 456 Ca 0.19 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.57 1gk1 n THR 456 Cb 0.24 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 1gk1 n THR 456 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1gk1 s TRP 457 N 0.28 3.46 -0.08 4.78 -0.11 -1.26 -1.92 118.94 124.08 1gk1 s TRP 457 Ca 0.00 1.04 -0.00 0.00 1.22 0.00 0.00 56.10 58.36 1gk1 s TRP 457 Cb 0.00 -2.78 0.02 0.00 -1.50 0.00 0.00 33.47 29.21 1gk1 s TRP 457 CO 0.00 -0.05 -0.05 0.08 -4.62 0.00 0.00 176.95 172.32 1gk1 s VAL 458 N 1.40 0.71 -0.09 5.86 1.01 -0.29 -3.73 120.40 125.27 1gk1 s VAL 458 Ca 0.32 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 1gk1 s VAL 458 Cb -0.16 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.47 1gk1 s VAL 458 CO 0.13 0.30 0.24 0.00 0.00 0.00 0.00 175.10 175.78 1gk1 s ALA 459 N 1.61 -0.59 -0.11 5.51 0.00 -0.58 -1.02 121.76 126.58 1gk1 s ALA 459 Ca 0.01 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1gk1 s ALA 459 Cb -0.13 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1gk1 s ALA 459 CO -0.05 -0.13 -0.14 0.00 0.00 0.00 0.00 175.76 175.44 1gk1 s MET 460 N 0.35 2.08 -0.04 0.00 0.23 -0.57 -0.41 119.30 120.94 1gk1 s MET 460 Ca -0.02 -0.50 0.07 0.00 -1.03 0.00 0.00 55.69 54.21 1gk1 s MET 460 Cb -0.03 -1.83 -0.02 0.00 -1.53 0.00 0.00 34.83 31.42 1gk1 s MET 460 CO -0.01 -0.11 -0.25 0.42 -2.03 0.00 0.00 175.02 173.03 1gk1 s ILE 461 N 1.13 2.04 -0.22 3.16 1.09 0.04 -2.05 121.20 126.39 1gk1 s ILE 461 Ca -0.04 -1.09 -0.04 0.00 -1.10 0.00 0.00 60.65 58.38 1gk1 s ILE 461 Cb -0.14 -1.71 -0.01 0.00 -1.06 0.00 0.00 42.46 39.54 1gk1 s ILE 461 CO -0.03 0.57 -0.04 -0.70 -0.10 0.00 0.00 174.94 174.64 1gk1 s GLU 462 N -0.40 3.39 -1.49 2.79 2.12 -0.09 -1.04 118.70 123.98 1gk1 s GLU 462 Ca 0.04 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 54.66 1gk1 s GLU 462 Cb -0.12 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1gk1 s GLU 462 CO 0.01 -0.19 2.82 1.19 -0.54 0.00 0.00 175.26 178.55 1gk1 n PHE 463 N 4.77 2.40 -2.16 5.30 3.72 0.16 -2.18 117.46 129.47 1gk1 n PHE 463 Ca -0.18 -2.97 -0.12 0.00 -0.05 0.00 0.00 57.45 54.14 1gk1 n PHE 463 Cb 0.51 -2.27 0.07 0.00 -0.94 0.00 0.00 39.48 36.84 1gk1 n PHE 463 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1gk1 n SER 464 N 2.98 0.48 -3.92 4.37 3.41 -1.26 -4.51 113.62 115.18 1gk1 n SER 464 Ca 0.73 -1.45 -0.30 0.00 -0.26 0.00 0.00 58.87 57.59 1gk1 n SER 464 Cb 0.26 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 1gk1 n SER 464 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gk1 s THR 465 N -1.58 1.47 0.76 6.66 2.01 -1.26 -2.12 115.64 121.58 1gk1 s THR 465 Ca 0.32 -1.26 -0.12 0.00 0.31 0.00 0.00 61.69 60.94 1gk1 s THR 465 Cb -0.02 -1.80 0.05 0.00 0.01 0.00 0.00 72.50 70.75 1gk1 s THR 465 CO 0.22 -0.18 1.10 -2.16 -0.69 0.00 0.00 174.62 172.91 1gk1 s PRO 466 N 1.41 2.38 0.84 4.92 0.04 -1.26 -5.12 135.00 138.21 1gk1 s PRO 466 Ca -0.03 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.40 1gk1 s PRO 466 Cb -0.19 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.49 1gk1 s PRO 466 CO -0.08 -1.38 1.15 0.14 0.04 0.00 0.00 177.00 176.87 1gk1 s VAL 467 N -3.28 2.39 -0.09 -0.36 -7.23 -0.90 -5.01 120.40 105.92 1gk1 s VAL 467 Ca 0.60 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.91 1gk1 s VAL 467 Cb -0.13 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.45 1gk1 s VAL 467 CO 0.53 -0.15 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.48 1gk1 s ARG 468 N -4.54 1.45 0.01 4.82 3.52 -0.93 -4.92 118.95 118.35 1gk1 s ARG 468 Ca 0.67 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 1gk1 s ARG 468 Cb -0.23 -1.42 -0.01 0.00 -1.56 0.00 0.00 34.95 31.73 1gk1 s ARG 468 CO 0.55 -0.17 -0.02 0.00 -0.81 0.00 0.00 175.30 174.85 1gk1 s ALA 469 N 1.34 0.11 0.05 6.12 0.00 -1.26 -0.91 121.76 127.21 1gk1 s ALA 469 Ca -0.02 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1gk1 s ALA 469 Cb -0.14 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1gk1 s ALA 469 CO -0.04 -0.05 -0.15 0.71 0.00 0.00 0.00 175.76 176.23 1gk1 s TYR 470 N -0.64 1.28 0.39 0.00 1.51 -0.87 -0.11 117.35 118.91 1gk1 s TYR 470 Ca -0.06 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.47 1gk1 s TYR 470 Cb -0.04 -0.75 0.05 0.00 -0.11 0.00 0.00 41.96 41.11 1gk1 s TYR 470 CO -0.00 0.05 0.77 0.20 -1.11 0.00 0.00 175.55 175.46 1gk1 s GLY 471 N -1.33 0.51 -0.14 0.71 0.00 -0.23 -1.51 107.32 105.34 1gk1 s GLY 471 Ca 0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 44.72 43.58 1gk1 s GLY 471 CO 0.02 -0.39 0.87 -2.27 0.00 0.00 0.00 173.10 171.33 1gk1 s LEU 472 N -3.10 -0.50 -0.26 0.66 2.96 -0.19 -1.53 118.68 116.72 1gk1 s LEU 472 Ca 0.17 0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 54.69 1gk1 s LEU 472 Cb -0.05 2.14 0.08 0.00 0.50 0.00 0.00 46.19 48.86 1gk1 s LEU 472 CO 0.13 -0.42 0.02 -0.32 -1.32 0.00 0.00 176.35 174.44 1gk1 s MET 473 N -0.96 1.12 0.15 1.98 -2.45 -1.26 -1.14 119.30 116.75 1gk1 s MET 473 Ca -0.05 -1.01 -0.28 0.00 -1.25 0.00 0.00 55.69 53.11 1gk1 s MET 473 Cb -0.01 -2.37 -0.05 0.00 1.25 0.00 0.00 34.83 33.64 1gk1 s MET 473 CO 0.04 -0.77 1.42 0.43 1.05 0.00 0.00 175.02 177.19 1gk1 n SER 474 N 4.75 -0.96 -2.04 1.11 7.64 -0.81 -1.90 113.62 121.41 1gk1 n SER 474 Ca -0.06 1.64 -0.21 0.00 1.01 0.00 0.00 58.87 61.24 1gk1 n SER 474 Cb 0.44 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 63.55 1gk1 n SER 474 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gk1 n TYR 475 N -5.16 2.55 -1.71 1.43 0.18 -1.26 -3.64 117.16 109.55 1gk1 n TYR 475 Ca 0.02 -1.79 0.08 0.00 1.88 0.00 0.00 57.90 58.08 1gk1 n TYR 475 Cb 0.24 -0.91 -0.02 0.00 -0.38 0.00 0.00 39.34 38.28 1gk1 n TYR 475 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1gk1 n GLY 476 N -0.79 -1.93 0.82 -7.48 0.00 -0.80 -4.56 105.19 90.44 1gk1 n GLY 476 Ca 0.50 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1gk1 n GLY 476 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gk1 n ASN 477 N -2.27 2.93 -3.78 1.61 5.15 -0.65 -4.93 115.26 113.32 1gk1 n ASN 477 Ca 0.00 -1.86 -0.13 0.00 -0.60 0.00 0.00 54.58 52.00 1gk1 n ASN 477 Cb 0.25 -0.19 -0.10 0.00 -0.53 0.00 0.00 39.78 39.21 1gk1 n ASN 477 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1gk1 s SER 478 N -1.17 -0.24 -0.01 1.20 0.15 -0.84 -4.84 113.70 107.96 1gk1 s SER 478 Ca 0.28 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.30 1gk1 s SER 478 Cb 0.16 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.97 1gk1 s SER 478 CO 0.22 -0.23 0.81 -1.14 1.20 0.00 0.00 173.24 174.10 1gk1 n ARG 479 N 2.30 1.45 -2.18 5.44 0.63 -1.26 -3.77 116.66 119.27 1gk1 n ARG 479 Ca -0.16 -1.14 -0.37 0.00 -0.92 0.00 0.00 57.85 55.26 1gk1 n ARG 479 Cb 0.57 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.69 1gk1 n ARG 479 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1gk1 s GLN 480 N -0.66 3.49 -0.09 -0.14 -1.52 -1.26 -4.90 119.66 114.57 1gk1 s GLN 480 Ca 0.02 1.79 -0.37 0.00 -1.95 0.00 0.00 55.36 54.85 1gk1 s GLN 480 Cb 0.02 -2.22 -0.15 0.00 -0.22 0.00 0.00 33.01 30.44 1gk1 s GLN 480 CO 0.00 -0.78 1.68 -2.30 -0.25 0.00 0.00 175.29 173.64 1gk1 n PRO 481 N -0.90 1.57 -1.08 2.91 -0.02 -1.26 -2.00 135.00 134.21 1gk1 n PRO 481 Ca 0.10 0.57 -0.03 0.00 -2.02 0.00 0.00 63.50 62.12 1gk1 n PRO 481 Cb 0.49 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1gk1 n PRO 481 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gk1 n GLY 482 N 3.81 0.61 3.82 -1.23 0.00 -1.26 -5.03 105.19 105.90 1gk1 n GLY 482 Ca 0.22 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1gk1 n GLY 482 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gk1 s THR 483 N -2.05 4.03 -2.53 2.61 -1.32 -0.85 -4.95 115.64 110.58 1gk1 s THR 483 Ca 0.00 0.94 0.23 0.00 -1.21 0.00 0.00 61.69 61.65 1gk1 s THR 483 Cb 0.00 -3.48 0.40 0.00 -1.51 0.00 0.00 72.50 67.91 1gk1 s THR 483 CO 0.00 -0.59 1.41 0.35 -2.21 0.00 0.00 174.62 173.58 1gk1 n THR 484 N -2.01 0.38 -1.81 5.08 -2.24 -1.26 -4.41 114.28 108.02 1gk1 n THR 484 Ca 0.08 -0.65 -0.27 0.00 -2.27 0.00 0.00 64.05 60.94 1gk1 n THR 484 Cb 0.53 0.97 0.04 0.00 -2.10 0.00 0.00 70.33 69.77 1gk1 n THR 484 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gk1 n HIS 485 N 1.30 2.84 -0.08 4.78 8.25 -1.26 -4.38 115.22 126.67 1gk1 n HIS 485 Ca 0.18 -2.44 -0.16 0.00 -0.26 0.00 0.00 57.72 55.05 1gk1 n HIS 485 Cb 0.57 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 1gk1 n HIS 485 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1gk1 n TYR 486 N -0.78 0.00 -0.65 4.41 9.36 -1.25 -1.64 117.16 126.62 1gk1 n TYR 486 Ca 0.49 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.79 1gk1 n TYR 486 Cb 0.88 -0.59 0.25 0.00 -0.63 0.00 0.00 39.34 39.26 1gk1 n TYR 486 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1gk1 n SER 487 N -3.56 3.86 -0.49 2.98 3.41 -1.26 -2.81 113.62 115.74 1gk1 n SER 487 Ca -0.31 -2.57 0.04 0.00 -0.26 0.00 0.00 58.87 55.77 1gk1 n SER 487 Cb 0.74 -0.46 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 1gk1 n SER 487 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1gk1 n ASP 488 N 0.22 1.39 0.00 4.04 5.75 -1.26 -3.90 116.55 122.78 1gk1 n ASP 488 Ca 0.19 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1gk1 n ASP 488 Cb 0.76 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1gk1 n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gk1 n GLN 489 N 0.20 3.12 0.24 0.11 6.02 -1.26 -4.79 117.38 121.02 1gk1 n GLN 489 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 1gk1 n GLN 489 Cb 0.23 -0.59 0.71 0.00 1.02 0.00 0.00 30.24 31.61 1gk1 n GLN 489 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1gk1 h ILE 490 N 0.00 0.86 -0.25 5.09 6.09 -1.67 -1.59 117.51 126.04 1gk1 h ILE 490 Ca 0.00 0.00 -0.08 0.00 -1.37 0.00 0.00 64.86 63.41 1gk1 h ILE 490 Cb 0.00 0.97 -0.01 0.00 0.47 0.00 0.00 36.82 38.25 1gk1 h ILE 490 CO 0.00 0.00 -0.14 -0.08 -3.07 0.00 0.00 178.15 174.86 1gk1 h GLU 491 N 0.00 0.53 -0.81 2.19 4.22 -1.87 -1.73 114.58 117.12 1gk1 h GLU 491 Ca 0.03 -0.24 -0.04 0.00 0.08 0.00 0.00 59.36 59.19 1gk1 h GLU 491 Cb 0.12 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1gk1 h GLU 491 CO -0.00 0.80 0.37 0.00 -2.18 0.00 0.00 179.01 178.00 1gk1 h ARG 492 N 0.25 1.18 -0.38 1.92 3.08 -1.63 -2.14 114.38 116.66 1gk1 h ARG 492 Ca 0.05 -0.18 0.03 0.00 0.07 0.00 0.00 59.98 59.95 1gk1 h ARG 492 Cb 0.65 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1gk1 h ARG 492 CO 0.04 0.92 0.19 0.28 -1.07 0.00 0.00 179.97 180.34 1gk1 h VAL 493 N 1.16 0.98 -0.71 2.04 2.07 -1.20 0.22 116.25 120.82 1gk1 h VAL 493 Ca 0.28 -0.14 0.12 0.00 0.82 0.00 0.00 66.70 67.79 1gk1 h VAL 493 Cb 0.15 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1gk1 h VAL 493 CO -0.03 0.07 0.47 -1.28 0.02 0.00 0.00 177.57 176.82 1gk1 h SER 494 N 0.39 0.42 -0.56 0.57 0.87 -0.69 -0.59 113.55 113.97 1gk1 h SER 494 Ca 0.16 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1gk1 h SER 494 Cb 0.07 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1gk1 h SER 494 CO -0.11 0.24 0.00 0.54 -0.53 0.00 0.00 176.83 176.96 1gk1 n ARG 495 N -4.48 2.69 -3.95 2.24 1.74 -0.71 -4.96 116.66 109.23 1gk1 n ARG 495 Ca 0.13 -2.40 -0.29 0.00 -0.77 0.00 0.00 57.85 54.52 1gk1 n ARG 495 Cb 0.45 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1gk1 n ARG 495 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gk1 n ALA 496 N 1.26 -1.58 -3.57 7.54 0.00 0.52 -4.91 120.51 119.77 1gk1 n ALA 496 Ca 0.20 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1gk1 n ALA 496 Cb 0.55 -3.10 -0.08 0.00 0.00 0.00 0.00 19.45 16.83 1gk1 n ALA 496 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gk1 s ASP 497 N -3.75 5.75 0.38 0.00 2.15 0.27 -5.02 116.67 116.46 1gk1 s ASP 497 Ca 0.41 -2.37 -0.25 0.00 0.43 0.00 0.00 52.55 50.77 1gk1 s ASP 497 Cb -0.21 -1.99 -0.09 0.00 -0.30 0.00 0.00 42.92 40.33 1gk1 s ASP 497 CO 0.86 -0.56 1.06 -0.36 -0.17 0.00 0.00 175.17 176.00 1gk1 s PHE 498 N 0.66 3.30 0.30 -5.34 0.40 -1.26 -4.67 117.98 111.37 1gk1 s PHE 498 Ca 0.12 1.65 -0.16 0.00 -0.60 0.00 0.00 56.93 57.94 1gk1 s PHE 498 Cb -0.21 -3.15 -0.09 0.00 0.51 0.00 0.00 43.02 40.08 1gk1 s PHE 498 CO -0.03 -0.62 0.73 1.03 0.70 0.00 0.00 175.22 177.02 1gk1 s ARG 499 N -2.37 4.05 0.01 0.44 0.52 -0.58 -4.83 118.95 116.19 1gk1 s ARG 499 Ca 0.56 0.71 -0.27 0.00 -0.52 0.00 0.00 55.73 56.21 1gk1 s ARG 499 Cb -0.23 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1gk1 s ARG 499 CO 0.29 0.21 0.86 -2.00 0.02 0.00 0.00 175.30 174.68 1gk1 s GLU 500 N -2.77 4.54 -0.18 3.54 2.12 -1.26 -1.07 118.70 123.62 1gk1 s GLU 500 Ca 0.52 1.21 -0.29 0.00 0.36 0.00 0.00 54.97 56.77 1gk1 s GLU 500 Cb -0.12 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 1gk1 s GLU 500 CO 0.18 0.09 1.01 -0.51 -0.54 0.00 0.00 175.26 175.48 1gk1 s LEU 501 N 0.59 4.16 -0.53 2.70 1.43 0.84 -4.90 118.68 122.97 1gk1 s LEU 501 Ca 0.45 1.42 -0.23 0.00 -1.03 0.00 0.00 54.13 54.73 1gk1 s LEU 501 Cb -0.20 -3.52 0.04 0.00 0.03 0.00 0.00 46.19 42.54 1gk1 s LEU 501 CO 0.25 -0.56 0.87 -0.76 0.23 0.00 0.00 176.35 176.37 1gk1 s LEU 502 N 2.66 4.27 -0.15 1.79 1.02 -1.26 -4.59 118.68 122.42 1gk1 s LEU 502 Ca 0.45 -0.41 0.11 0.00 0.02 0.00 0.00 54.13 54.30 1gk1 s LEU 502 Cb -0.16 -2.79 -0.17 0.00 0.02 0.00 0.00 46.19 43.09 1gk1 s LEU 502 CO 0.11 -1.12 0.02 0.18 0.02 0.00 0.00 176.35 175.55 1gk1 n LEU 503 N 7.14 0.48 -4.73 1.79 4.32 -1.26 -4.82 117.00 119.91 1gk1 n LEU 503 Ca 0.00 -0.02 -0.41 0.00 -0.02 0.00 0.00 56.01 55.57 1gk1 n LEU 503 Cb 0.47 0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 42.42 1gk1 n LEU 503 CO 0.61 0.43 0.68 -0.13 -1.22 0.00 0.00 177.39 177.76 1gk1 s ARG 504 N -2.35 4.69 0.32 3.23 0.52 -1.26 -4.94 118.95 119.16 1gk1 s ARG 504 Ca -0.10 1.48 0.09 0.00 -0.52 0.00 0.00 55.73 56.68 1gk1 s ARG 504 Cb 0.05 -3.36 0.90 0.00 0.52 0.00 0.00 34.95 33.05 1gk1 s ARG 504 CO 0.56 0.21 1.69 -0.09 0.02 0.00 0.00 175.30 177.69 1gk1 h ARG 505 N 5.49 0.40 -0.12 3.54 9.65 -1.99 0.78 114.38 132.12 1gk1 h ARG 505 Ca -0.43 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.33 1gk1 h ARG 505 Cb 1.21 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 1gk1 h ARG 505 CO 0.72 0.26 -0.35 1.05 2.80 0.00 0.00 179.97 184.45 1gk1 h GLU 506 N 0.41 0.25 -0.24 0.20 9.09 -1.99 -0.55 114.58 121.75 1gk1 h GLU 506 Ca 0.65 -0.11 -0.12 0.00 0.05 0.00 0.00 59.36 59.83 1gk1 h GLU 506 Cb 1.34 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.42 1gk1 h GLU 506 CO -0.55 0.58 -0.32 1.96 0.05 0.00 0.00 179.01 180.72 1gk1 h GLN 507 N 0.22 0.63 -0.09 1.06 4.20 -1.27 -2.53 115.11 117.33 1gk1 h GLN 507 Ca 0.03 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.37 1gk1 h GLN 507 Cb 0.73 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1gk1 h GLN 507 CO 0.06 0.98 0.05 0.28 -0.67 0.00 0.00 178.83 179.53 1gk1 h VAL 508 N 0.34 1.05 -0.31 -0.54 2.07 -1.05 -2.53 116.25 115.27 1gk1 h VAL 508 Ca 0.03 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1gk1 h VAL 508 Cb 0.90 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1gk1 h VAL 508 CO 0.08 0.04 0.21 -0.33 0.02 0.00 0.00 177.57 177.59 1gk1 h GLU 509 N 0.09 0.34 0.00 1.57 5.08 -1.12 -0.91 114.58 119.62 1gk1 h GLU 509 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1gk1 h GLU 509 Cb 0.02 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1gk1 h GLU 509 CO -0.01 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1gk1 n ALA 510 N -2.51 2.13 0.03 3.43 0.00 -0.96 -3.42 120.51 119.22 1gk1 n ALA 510 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gk1 n ALA 510 Cb 0.13 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.17 1gk1 n ALA 510 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 n ALA 511 N -1.61 2.29 -1.72 0.00 0.00 -0.44 -5.05 120.51 113.98 1gk1 n ALA 511 Ca 0.05 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1gk1 n ALA 511 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 1gk1 n ALA 511 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gk1 n VAL 512 N -0.07 0.66 -0.02 0.00 0.31 -0.67 -4.88 118.33 113.65 1gk1 n VAL 512 Ca 0.02 -0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.15 1gk1 n VAL 512 Cb 0.15 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.21 1gk1 n VAL 512 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1gk1 n GLN 513 N 2.71 1.11 -3.99 5.55 -0.06 -1.26 -5.04 117.38 116.39 1gk1 n GLN 513 Ca 0.12 0.02 -0.12 0.00 -2.00 0.00 0.00 57.00 55.02 1gk1 n GLN 513 Cb 0.35 -1.10 -0.12 0.00 -4.06 0.00 0.00 30.24 25.31 1gk1 n GLN 513 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1gk1 s GLU 514 N -2.10 0.30 -0.05 3.69 2.02 -1.26 -5.15 118.70 116.15 1gk1 s GLU 514 Ca -0.05 -0.44 0.04 0.00 0.02 0.00 0.00 54.97 54.54 1gk1 s GLU 514 Cb 0.02 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.17 1gk1 s GLU 514 CO 0.13 0.01 -0.16 0.50 0.02 0.00 0.00 175.26 175.75 1gk1 s ARG 515 N -0.95 1.84 -0.42 1.61 3.52 -1.26 -5.10 118.95 118.19 1gk1 s ARG 515 Ca -0.08 -0.57 0.02 0.00 -0.13 0.00 0.00 55.73 54.97 1gk1 s ARG 515 Cb -0.06 -1.55 0.13 0.00 -1.56 0.00 0.00 34.95 31.90 1gk1 s ARG 515 CO -0.00 0.17 0.21 0.99 -0.81 0.00 0.00 175.30 175.85 1gk1 s THR 516 N 0.25 1.52 0.52 4.11 2.01 -1.26 -5.11 115.64 117.67 1gk1 s THR 516 Ca -0.08 -2.46 -0.19 0.00 0.31 0.00 0.00 61.69 59.27 1gk1 s THR 516 Cb -0.13 -2.08 -0.07 0.00 0.01 0.00 0.00 72.50 70.23 1gk1 s THR 516 CO 0.03 -0.83 1.07 -2.16 -0.69 0.00 0.00 174.62 172.04 1gk1 s PRO 517 N 0.50 3.61 0.32 4.92 0.04 -1.26 -5.03 135.00 138.11 1gk1 s PRO 517 Ca 0.16 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1gk1 s PRO 517 Cb -0.23 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1gk1 s PRO 517 CO -0.04 -0.60 0.54 -0.59 0.04 0.00 0.00 177.00 176.36 1gk1 s PHE 518 N -1.97 0.66 -0.09 0.56 -0.71 -1.26 -5.17 117.98 109.99 1gk1 s PHE 518 Ca 0.68 -1.02 -0.06 0.00 -1.04 0.00 0.00 56.93 55.50 1gk1 s PHE 518 Cb -0.18 0.19 0.04 0.00 -1.21 0.00 0.00 43.02 41.86 1gk1 s PHE 518 CO 0.24 -1.19 0.22 -0.80 -1.34 0.00 0.00 175.22 172.35 1gk1 s ASN 519 N -3.14 -0.23 -0.23 1.98 0.02 -1.26 -5.13 114.94 106.95 1gk1 s ASN 519 Ca 0.25 0.47 -0.01 0.00 -1.02 0.00 0.00 52.86 52.55 1gk1 s ASN 519 Cb -0.02 0.39 0.02 0.00 0.02 0.00 0.00 41.25 41.67 1gk1 s ASN 519 CO 0.15 -0.13 -0.10 0.12 0.02 0.00 0.00 177.10 177.15 1gk1 s PHE 520 N 0.85 2.99 -0.36 2.20 5.36 -1.26 -5.08 117.98 122.68 1gk1 s PHE 520 Ca -0.06 -1.60 -0.20 0.00 -0.96 0.00 0.00 56.93 54.11 1gk1 s PHE 520 Cb -0.07 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.60 1gk1 s PHE 520 CO -0.05 -0.75 0.63 0.15 -1.46 0.00 0.00 175.22 173.74 1gk1 s LYS 521 N 1.31 3.65 0.00 10.12 -0.14 -1.26 -5.39 119.74 128.02 1gk1 s LYS 521 Ca 0.01 0.01 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 1gk1 s LYS 521 Cb -0.16 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.18 1gk1 s LYS 521 CO -0.07 -0.75 0.21 -0.35 -0.76 0.00 0.00 175.35 173.64