#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gnl s ASN 2 N 0.00 6.84 0.42 6.43 0.02 -1.26 -4.94 114.94 122.45 1gnl s ASN 2 Ca 0.00 2.44 0.17 0.00 -1.02 0.00 0.00 52.86 54.45 1gnl s ASN 2 Cb 0.00 -2.61 0.93 0.00 0.02 0.00 0.00 41.25 39.60 1gnl s ASN 2 CO 0.00 -0.58 1.90 0.00 0.02 0.00 0.00 177.10 178.43 1gnl h ALA 3 N 5.59 1.36 -2.90 0.60 0.00 -1.78 -3.46 119.26 118.66 1gnl h ALA 3 Ca -0.44 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1gnl h ALA 3 Cb 1.21 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1gnl h ALA 3 CO 0.79 0.35 0.06 0.00 0.00 0.00 0.00 179.25 180.45 1gnl s MET 4 N -4.18 1.54 -0.18 0.00 0.00 -0.72 -4.84 119.30 110.93 1gnl s MET 4 Ca -0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 55.69 54.64 1gnl s MET 4 Cb 0.14 0.54 0.09 0.00 0.00 0.00 0.00 34.83 35.59 1gnl s MET 4 CO 0.68 -0.67 0.25 0.12 0.00 0.00 0.00 175.02 175.40 1gnl s PHE 5 N -3.92 -0.37 -0.03 3.16 5.36 -1.25 -4.14 117.98 116.79 1gnl s PHE 5 Ca 0.13 0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 56.60 1gnl s PHE 5 Cb -0.02 -0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1gnl s PHE 5 CO 0.03 -0.53 0.06 0.00 -1.46 0.00 0.00 175.22 173.32 1gnl n TYR 7 N 3.93 0.00 0.82 0.00 4.11 -1.26 -0.59 117.16 124.18 1gnl n TYR 7 Ca -0.24 -0.33 0.13 0.00 -0.00 0.00 0.00 57.90 57.46 1gnl n TYR 7 Cb 0.53 -0.11 0.48 0.00 -0.00 0.00 0.00 39.34 40.24 1gnl n TYR 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1gnl n GLN 8 N 0.33 0.12 -4.58 -3.48 10.64 -1.26 -4.47 117.38 114.69 1gnl n GLN 8 Ca 0.04 0.09 -0.27 0.00 -1.83 0.00 0.00 57.00 55.02 1gnl n GLN 8 Cb 0.99 -1.63 -0.11 0.00 -0.86 0.00 0.00 30.24 28.63 1gnl n GLN 8 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gnl h GLN 10 N 1.80 0.00 -0.25 0.00 -0.00 -1.33 -2.80 115.11 112.53 1gnl h GLN 10 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 1gnl h GLN 10 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.72 1gnl h GLN 10 CO 0.78 0.16 0.00 0.39 0.00 0.00 0.00 178.83 180.16 1gnl n GLU 11 N -4.08 1.72 -1.61 1.69 1.02 -1.26 -4.87 120.64 113.25 1gnl n GLU 11 Ca -0.02 -1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 55.59 1gnl n GLU 11 Cb 0.24 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1gnl n GLU 11 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1gnl n THR 12 N 0.36 2.30 -1.66 2.62 5.66 -1.06 -4.74 114.28 117.76 1gnl n THR 12 Ca 0.13 -0.50 -0.48 0.00 -3.05 0.00 0.00 64.05 60.15 1gnl n THR 12 Cb 0.29 -1.16 -0.05 0.00 -1.55 0.00 0.00 70.33 67.87 1gnl n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1gnl n VAL 13 N -0.28 0.15 -1.29 1.08 0.31 -1.26 -1.28 118.33 115.76 1gnl n VAL 13 Ca 0.09 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.29 1gnl n VAL 13 Cb 0.37 -1.48 -0.04 0.00 -0.91 0.00 0.00 33.84 31.78 1gnl n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gnl n GLY 14 N 3.54 1.02 3.39 2.92 0.00 -1.26 -0.82 105.19 113.98 1gnl n GLY 14 Ca 0.19 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1gnl n GLY 14 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gnl n ASN 15 N -0.90 -4.41 0.00 1.61 5.15 -0.40 -4.84 115.26 111.46 1gnl n ASN 15 Ca -0.10 -0.44 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 1gnl n ASN 15 Cb 0.52 -3.60 0.00 0.00 -0.53 0.00 0.00 39.78 36.17 1gnl n ASN 15 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1gnl n LYS 16 N -3.96 0.00 0.00 1.20 5.02 -0.00 -4.54 118.16 115.88 1gnl n LYS 16 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1gnl n LYS 16 Cb 0.55 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 1gnl n LYS 16 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gnl n GLY 17 N 2.51 3.73 3.61 0.72 0.00 -0.64 -4.87 105.19 110.24 1gnl n GLY 17 Ca 0.00 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1gnl n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl n THR 19 N 5.63 0.00 0.05 0.00 -2.24 -1.26 -1.85 114.28 114.60 1gnl n THR 19 Ca 0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1gnl n THR 19 Cb 0.48 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1gnl n THR 19 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1gnl n GLN 20 N -1.54 0.00 -3.93 -0.78 -0.06 -1.26 -1.75 117.38 108.05 1gnl n GLN 20 Ca -0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 1gnl n GLN 20 Cb 0.18 -0.40 -0.12 0.00 -4.06 0.00 0.00 30.24 25.84 1gnl n GLN 20 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1gnl s VAL 21 N -2.00 0.07 0.42 1.69 0.11 -1.26 -3.98 120.40 115.45 1gnl s VAL 21 Ca 0.00 -0.55 -0.23 0.00 -2.93 0.00 0.00 61.98 58.27 1gnl s VAL 21 Cb 0.00 -0.17 -0.09 0.00 -1.53 0.00 0.00 36.38 34.59 1gnl s VAL 21 CO 0.00 -0.30 1.04 -0.83 -3.33 0.00 0.00 175.10 171.68 1gnl s GLY 22 N -0.89 2.66 0.54 6.54 0.00 0.13 -4.88 107.32 111.41 1gnl s GLY 22 Ca -0.10 0.66 0.20 0.00 0.00 0.00 0.00 44.72 45.48 1gnl s GLY 22 CO -0.01 1.05 2.16 -2.08 0.00 0.00 0.00 173.10 174.23 1gnl h VAL 23 N 2.00 0.87 0.00 1.40 2.07 -1.89 -0.43 116.25 120.28 1gnl h VAL 23 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1gnl h VAL 23 Cb 1.22 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1gnl h VAL 23 CO 0.61 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.20 1gnl n GLY 25 N 1.25 0.45 3.66 0.00 0.00 -0.17 -4.56 105.19 105.83 1gnl n GLY 25 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1gnl n GLY 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1gnl s LYS 26 N -0.88 4.12 0.58 1.61 2.20 -1.26 -4.75 119.74 121.36 1gnl s LYS 26 Ca 0.00 2.09 -0.14 0.00 -0.36 0.00 0.00 55.97 57.56 1gnl s LYS 26 Cb 0.00 -3.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.29 1gnl s LYS 26 CO 0.00 -0.91 1.02 0.15 -0.36 0.00 0.00 175.35 175.25 1gnl s LYS 27 N 4.12 3.64 0.39 4.03 1.02 -1.26 -0.70 119.74 130.98 1gnl s LYS 27 Ca 0.72 0.90 0.07 0.00 0.02 0.00 0.00 55.97 57.68 1gnl s LYS 27 Cb -0.32 -2.09 0.79 0.00 -0.52 0.00 0.00 37.83 35.70 1gnl s LYS 27 CO 0.29 -0.53 2.00 -1.00 -0.92 0.00 0.00 175.35 175.19 1gnl h PRO 28 N 0.21 0.50 -0.37 -1.68 0.13 -1.90 -0.07 132.00 128.81 1gnl h PRO 28 Ca -0.45 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 1gnl h PRO 28 Cb 1.19 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1gnl h PRO 28 CO 0.61 0.40 -0.28 0.93 -0.23 0.00 0.00 178.00 179.43 1gnl h GLU 29 N 0.51 0.79 -0.38 0.86 5.08 -1.93 -0.45 114.58 119.06 1gnl h GLU 29 Ca 0.13 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1gnl h GLU 29 Cb 0.08 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1gnl h GLU 29 CO -0.02 0.97 0.19 1.15 -1.00 0.00 0.00 179.01 180.31 1gnl h THR 30 N 0.67 1.16 -0.99 1.13 2.02 -1.67 -1.38 112.91 113.85 1gnl h THR 30 Ca 0.08 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 66.85 1gnl h THR 30 Cb 0.81 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 1gnl h THR 30 CO 0.07 0.17 0.65 0.00 0.37 0.00 0.00 175.52 176.78 1gnl h ALA 31 N 1.04 1.36 -0.43 6.16 0.00 -0.80 -1.08 119.26 125.50 1gnl h ALA 31 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1gnl h ALA 31 Cb 0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1gnl h ALA 31 CO -0.02 0.55 0.16 0.00 0.00 0.00 0.00 179.25 179.94 1gnl h ALA 32 N 1.42 0.57 -0.58 0.00 0.00 -0.76 -0.79 119.26 119.12 1gnl h ALA 32 Ca 0.39 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1gnl h ALA 32 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1gnl h ALA 32 CO -0.12 0.19 0.08 -0.07 0.00 0.00 0.00 179.25 179.33 1gnl h LEU 33 N 0.56 0.89 -0.68 0.00 3.38 -0.79 -0.30 115.31 118.36 1gnl h LEU 33 Ca 0.14 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1gnl h LEU 33 Cb 0.22 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1gnl h LEU 33 CO -0.01 0.90 0.14 1.56 0.09 0.00 0.00 178.44 181.13 1gnl h GLN 34 N 0.88 1.10 -0.71 1.13 4.20 -0.99 0.10 115.11 120.83 1gnl h GLN 34 Ca 0.18 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1gnl h GLN 34 Cb 0.40 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1gnl h GLN 34 CO 0.01 0.99 0.36 -0.44 -0.67 0.00 0.00 178.83 179.08 1gnl h ASP 35 N 1.03 0.90 -0.78 1.46 3.32 -0.59 -0.25 116.42 121.51 1gnl h ASP 35 Ca 0.21 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1gnl h ASP 35 Cb 0.40 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1gnl h ASP 35 CO 0.01 0.76 0.36 0.00 -1.72 0.00 0.00 179.24 178.65 1gnl h ALA 36 N 1.18 1.01 -0.51 3.45 0.00 -0.78 -1.54 119.26 122.06 1gnl h ALA 36 Ca 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1gnl h ALA 36 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1gnl h ALA 36 CO -0.03 0.60 0.06 1.25 0.00 0.00 0.00 179.25 181.12 1gnl h LEU 37 N 1.12 0.83 -0.67 0.00 5.85 -0.48 -1.89 115.31 120.07 1gnl h LEU 37 Ca 0.27 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1gnl h LEU 37 Cb 0.15 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1gnl h LEU 37 CO -0.03 0.90 0.20 0.40 -0.34 0.00 0.00 178.44 179.57 1gnl h ILE 38 N 0.74 1.25 -0.03 4.05 1.08 -0.89 -0.51 117.51 123.21 1gnl h ILE 38 Ca 0.15 -0.88 0.03 0.00 -0.39 0.00 0.00 64.86 63.77 1gnl h ILE 38 Cb 0.43 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1gnl h ILE 38 CO 0.01 0.34 -0.18 0.22 -0.69 0.00 0.00 178.15 177.85 1gnl h TYR 39 N 0.98 -0.48 0.00 1.37 3.20 -1.02 -0.45 116.97 120.57 1gnl h TYR 39 Ca 0.22 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 1gnl h TYR 39 Cb 0.31 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1gnl h TYR 39 CO 0.02 -0.26 -0.25 -0.39 -1.64 0.00 0.00 178.16 175.64 1gnl h VAL 40 N -0.29 0.57 -0.49 1.81 -1.51 -1.22 -1.77 116.25 113.35 1gnl h VAL 40 Ca 0.06 -1.23 -0.13 0.00 -1.23 0.00 0.00 66.70 64.17 1gnl h VAL 40 Cb 0.37 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.36 1gnl h VAL 40 CO -0.19 0.24 -0.21 0.74 -1.23 0.00 0.00 177.57 176.92 1gnl h THR 41 N 0.00 1.27 -0.40 7.19 2.02 -0.60 0.06 112.91 122.44 1gnl h THR 41 Ca -0.00 -1.38 -0.10 0.00 0.77 0.00 0.00 66.41 65.69 1gnl h THR 41 Cb 0.82 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1gnl h THR 41 CO 0.03 0.48 -0.17 0.11 0.37 0.00 0.00 175.52 176.34 1gnl h LYS 42 N 0.86 0.76 -0.43 6.66 1.57 -0.78 0.28 116.57 125.49 1gnl h LYS 42 Ca 0.11 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1gnl h LYS 42 Cb 0.80 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1gnl h LYS 42 CO 0.07 0.88 0.17 0.78 -0.57 0.00 0.00 179.45 180.78 1gnl h GLY 43 N 0.97 0.70 0.88 3.86 0.00 -1.14 -0.60 103.07 107.74 1gnl h GLY 43 Ca 0.10 -0.39 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1gnl h GLY 43 CO 0.05 0.36 0.43 -2.00 0.00 0.00 0.00 176.54 175.39 1gnl h LEU 44 N 0.56 0.71 -0.89 3.11 5.85 -0.74 -1.95 115.31 121.96 1gnl h LEU 44 Ca 0.14 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1gnl h LEU 44 Cb 0.20 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.02 1gnl h LEU 44 CO -0.01 0.50 0.56 1.23 -0.34 0.00 0.00 178.44 180.38 1gnl h GLY 45 N 0.85 1.33 0.97 3.75 0.00 -0.42 0.04 103.07 109.58 1gnl h GLY 45 Ca 0.28 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1gnl h GLY 45 CO -0.10 0.31 0.22 1.46 0.00 0.00 0.00 176.54 178.42 1gnl h GLN 46 N 1.04 0.56 -0.22 4.80 4.20 -0.54 -0.44 115.11 124.52 1gnl h GLN 46 Ca 0.38 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 1gnl h GLN 46 Cb 0.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 1gnl h GLN 46 CO -0.16 0.46 0.02 0.82 -0.67 0.00 0.00 178.83 179.31 1gnl h ILE 47 N 0.52 1.24 -0.70 2.54 2.04 -0.85 -1.24 117.51 121.05 1gnl h ILE 47 Ca 0.14 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1gnl h ILE 47 Cb 0.06 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1gnl h ILE 47 CO -0.02 0.25 0.33 0.00 0.00 0.00 0.00 178.15 178.71 1gnl h ALA 48 N 0.83 0.90 -0.45 1.87 0.00 -0.96 -0.83 119.26 120.63 1gnl h ALA 48 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1gnl h ALA 48 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1gnl h ALA 48 CO 0.01 0.47 0.25 1.15 0.00 0.00 0.00 179.25 181.13 1gnl h THR 49 N 0.98 1.15 -0.60 0.00 2.02 -0.96 -1.17 112.91 114.33 1gnl h THR 49 Ca 0.24 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1gnl h THR 49 Cb 0.12 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1gnl h THR 49 CO -0.03 0.16 0.28 0.03 0.37 0.00 0.00 175.52 176.33 1gnl h ARG 50 N 0.59 0.85 -0.16 6.66 3.08 -0.85 -0.91 114.38 123.62 1gnl h ARG 50 Ca 0.16 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1gnl h ARG 50 Cb 0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1gnl h ARG 50 CO -0.03 0.66 0.04 -0.07 -1.07 0.00 0.00 179.97 179.50 1gnl h LEU 51 N 0.84 0.25 -1.32 3.04 3.38 -0.73 -2.66 115.31 118.12 1gnl h LEU 51 Ca 0.21 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1gnl h LEU 51 Cb 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1gnl h LEU 51 CO -0.03 0.43 0.48 0.03 0.09 0.00 0.00 178.44 179.44 1gnl h ARG 52 N 0.07 0.86 0.00 1.13 3.08 -1.00 -1.28 114.38 117.25 1gnl h ARG 52 Ca 0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gnl h ARG 52 Cb 0.27 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1gnl h ARG 52 CO 0.00 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.47 1gnl n ALA 53 N -2.43 1.83 -0.57 0.04 0.00 -0.37 -0.99 120.51 118.02 1gnl n ALA 53 Ca 0.09 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.54 1gnl n ALA 53 Cb 0.12 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.50 1gnl n ALA 53 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gnl n GLU 54 N -1.44 2.96 -0.82 0.00 0.28 -0.63 -4.97 120.64 116.03 1gnl n GLU 54 Ca 0.05 -2.45 0.00 0.00 -0.16 0.00 0.00 57.16 54.60 1gnl n GLU 54 Cb 0.18 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.49 1gnl n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gnl n GLY 55 N 0.10 0.57 3.89 -1.84 0.00 -0.16 -5.05 105.19 102.70 1gnl n GLY 55 Ca 0.17 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1gnl n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gnl s LYS 56 N -0.42 3.68 0.39 1.61 1.02 -0.58 -4.99 119.74 120.45 1gnl s LYS 56 Ca 0.00 0.05 -0.24 0.00 0.02 0.00 0.00 55.97 55.79 1gnl s LYS 56 Cb 0.00 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 1gnl s LYS 56 CO 0.00 0.39 1.03 0.00 -0.92 0.00 0.00 175.35 175.85 1gnl s ALA 57 N -1.76 3.11 -0.17 5.17 0.00 -1.26 -3.69 121.76 123.15 1gnl s ALA 57 Ca 0.44 0.67 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1gnl s ALA 57 Cb -0.12 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1gnl s ALA 57 CO 0.24 -0.15 -0.20 0.08 0.00 0.00 0.00 175.76 175.73 1gnl s VAL 58 N -1.66 2.07 0.38 0.00 1.01 -1.26 -4.92 120.40 116.02 1gnl s VAL 58 Ca 0.57 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1gnl s VAL 58 Cb -0.21 -1.86 -0.11 0.00 0.00 0.00 0.00 36.38 34.20 1gnl s VAL 58 CO 0.27 0.54 1.40 -0.67 0.00 0.00 0.00 175.10 176.64 1gnl n ASP 59 N 4.53 3.31 0.31 3.32 -0.08 -1.26 -4.88 116.55 121.80 1gnl n ASP 59 Ca -0.21 1.19 0.21 0.00 -1.51 0.00 0.00 54.79 54.47 1gnl n ASP 59 Cb 0.50 -1.57 1.04 0.00 2.34 0.00 0.00 41.12 43.43 1gnl n ASP 59 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1gnl h HIS 60 N 2.65 0.00 -0.08 -0.67 -0.00 -2.00 -0.78 115.15 114.26 1gnl h HIS 60 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.87 1gnl h HIS 60 Cb 1.26 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.67 1gnl h HIS 60 CO 0.51 0.00 0.02 0.07 -0.00 0.00 0.00 177.93 178.53 1gnl h ARG 61 N 0.00 0.11 -0.32 5.26 0.11 -2.00 -1.35 114.38 116.19 1gnl h ARG 61 Ca 0.00 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1gnl h ARG 61 Cb 0.16 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 1gnl h ARG 61 CO 0.00 0.11 -0.08 0.82 0.10 0.00 0.00 179.97 180.92 1gnl h ILE 62 N 0.11 1.28 -0.94 0.08 1.08 -1.50 -1.65 117.51 115.97 1gnl h ILE 62 Ca 0.03 -1.13 0.06 0.00 -0.39 0.00 0.00 64.86 63.44 1gnl h ILE 62 Cb 0.05 1.35 -0.07 0.00 -3.07 0.00 0.00 36.82 35.09 1gnl h ILE 62 CO -0.00 0.37 0.60 0.44 -0.69 0.00 0.00 178.15 178.86 1gnl h ASP 63 N 0.40 0.96 -0.03 1.72 3.32 -1.35 -1.38 116.42 120.05 1gnl h ASP 63 Ca 0.08 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1gnl h ASP 63 Cb 0.57 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1gnl h ASP 63 CO 0.03 0.61 -0.35 0.03 -1.72 0.00 0.00 179.24 177.84 1gnl h ARG 64 N 1.09 0.52 -0.45 3.56 3.08 -1.01 -1.02 114.38 120.15 1gnl h ARG 64 Ca 0.41 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1gnl h ARG 64 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1gnl h ARG 64 CO -0.17 0.80 0.19 1.25 -1.07 0.00 0.00 179.97 180.96 1gnl h LEU 65 N 0.44 0.62 -0.02 3.04 5.85 -0.70 -1.02 115.31 123.51 1gnl h LEU 65 Ca 0.05 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1gnl h LEU 65 Cb 0.82 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.68 1gnl h LEU 65 CO 0.07 0.61 0.01 0.58 -0.34 0.00 0.00 178.44 179.37 1gnl h VAL 66 N 0.59 1.10 -0.58 1.05 2.07 -0.99 -0.08 116.25 119.40 1gnl h VAL 66 Ca 0.15 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1gnl h VAL 66 Cb 0.18 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1gnl h VAL 66 CO -0.01 0.08 -0.00 0.71 0.02 0.00 0.00 177.57 178.36 1gnl h THR 67 N -0.09 1.26 -0.74 2.57 1.35 -1.15 -1.46 112.91 114.65 1gnl h THR 67 Ca 0.01 -1.13 -0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1gnl h THR 67 Cb 0.12 0.82 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 1gnl h THR 67 CO -0.00 0.41 0.33 1.23 -0.25 0.00 0.00 175.52 177.24 1gnl h GLY 68 N 1.00 1.17 0.93 5.82 0.00 -1.09 -1.26 103.07 109.63 1gnl h GLY 68 Ca 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1gnl h GLY 68 CO 0.03 0.57 0.12 3.43 0.00 0.00 0.00 176.54 180.69 1gnl h ASN 69 N 1.05 0.32 -0.21 0.19 2.35 -0.68 -0.04 115.58 118.58 1gnl h ASN 69 Ca 0.25 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1gnl h ASN 69 Cb 0.16 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1gnl h ASN 69 CO -0.03 0.35 0.11 -0.07 -1.65 0.00 0.00 177.43 176.14 1gnl h LEU 70 N 0.27 0.26 -0.96 1.61 3.38 -1.15 -2.87 115.31 115.85 1gnl h LEU 70 Ca 0.09 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1gnl h LEU 70 Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1gnl h LEU 70 CO -0.01 0.27 0.05 0.15 0.09 0.00 0.00 178.44 178.99 1gnl h PHE 71 N 0.23 0.85 0.00 1.13 3.04 -1.13 -1.84 116.94 119.22 1gnl h PHE 71 Ca 0.07 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1gnl h PHE 71 Cb 0.07 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.34 1gnl h PHE 71 CO -0.04 0.76 -0.00 0.00 -2.02 0.00 0.00 178.31 177.01 1gnl h ALA 72 N 1.29 1.10 -0.24 2.41 0.00 -0.77 -1.64 119.26 121.41 1gnl h ALA 72 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gnl h ALA 72 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1gnl h ALA 72 CO 0.01 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.51 1gnl n THR 73 N -3.22 0.31 -2.30 0.00 -2.24 -0.70 -3.59 114.28 102.54 1gnl n THR 73 Ca -0.03 -0.66 -0.35 0.00 -2.27 0.00 0.00 64.05 60.75 1gnl n THR 73 Cb 0.08 1.16 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1gnl n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1gnl s ILE 74 N -1.59 3.25 0.10 2.28 1.01 -0.62 -4.93 121.20 120.70 1gnl s ILE 74 Ca 0.32 0.78 -0.36 0.00 0.00 0.00 0.00 60.65 61.40 1gnl s ILE 74 Cb 0.20 -3.32 -0.16 0.00 0.01 0.00 0.00 42.46 39.20 1gnl s ILE 74 CO 0.29 -0.16 1.43 0.41 0.00 0.00 0.00 174.94 176.91 1gnl n THR 75 N -1.23 0.02 -1.65 2.92 -1.04 -1.26 -1.84 114.28 110.20 1gnl n THR 75 Ca 0.11 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.99 1gnl n THR 75 Cb 0.51 -1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 67.91 1gnl n THR 75 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gnl n ASN 76 N 2.94 -4.41 -0.11 8.00 3.02 -1.26 -4.80 115.26 118.64 1gnl n ASN 76 Ca 0.18 0.22 -0.20 0.00 -0.03 0.00 0.00 54.58 54.75 1gnl n ASN 76 Cb 0.22 -3.22 -0.08 0.00 -0.61 0.00 0.00 39.78 36.08 1gnl n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gnl n ALA 77 N 0.34 0.88 -3.67 5.41 0.00 -0.77 -1.02 120.51 121.70 1gnl n ALA 77 Ca -0.14 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 1gnl n ALA 77 Cb 0.49 -0.17 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 1gnl n ALA 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1gnl s ASN 78 N -6.79 0.25 -0.01 0.00 3.04 -1.24 -1.91 114.94 108.29 1gnl s ASN 78 Ca -0.30 0.62 0.08 0.00 0.04 0.00 0.00 52.86 53.30 1gnl s ASN 78 Cb 0.08 0.73 0.22 0.00 -1.54 0.00 0.00 41.25 40.74 1gnl s ASN 78 CO 0.48 -0.23 1.18 0.49 -3.04 0.00 0.00 177.10 175.98 1gnl n PHE 79 N 5.26 0.33 -3.19 0.43 3.01 -0.27 -4.92 117.46 118.12 1gnl n PHE 79 Ca -0.08 -0.53 -0.44 0.00 1.01 0.00 0.00 57.45 57.41 1gnl n PHE 79 Cb 0.50 -0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.86 1gnl n PHE 79 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1gnl s ASP 80 N -1.08 6.20 0.33 4.37 -1.08 -1.25 -4.51 116.67 119.64 1gnl s ASP 80 Ca 0.17 -1.16 0.01 0.00 -0.52 0.00 0.00 52.55 51.05 1gnl s ASP 80 Cb 0.10 -2.27 0.55 0.00 -1.46 0.00 0.00 42.92 39.84 1gnl s ASP 80 CO 0.10 -0.90 1.97 0.44 0.52 0.00 0.00 175.17 177.30 1gnl h ASP 81 N 9.00 0.78 -0.58 -0.34 3.32 -1.96 -1.08 116.42 125.56 1gnl h ASP 81 Ca -0.28 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1gnl h ASP 81 Cb 1.10 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1gnl h ASP 81 CO 0.99 0.60 -0.07 0.44 -1.72 0.00 0.00 179.24 179.49 1gnl h ASP 82 N 0.91 1.06 -0.33 6.45 3.32 -1.99 -0.17 116.42 125.66 1gnl h ASP 82 Ca 0.24 -0.33 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 1gnl h ASP 82 Cb -0.04 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1gnl h ASP 82 CO -0.05 1.14 -0.09 0.40 -1.72 0.00 0.00 179.24 178.92 1gnl h ILE 83 N 0.95 1.28 -0.49 0.35 1.08 -1.85 -1.60 117.51 117.23 1gnl h ILE 83 Ca 0.16 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1gnl h ILE 83 Cb 0.64 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.71 1gnl h ILE 83 CO 0.04 0.37 0.25 -0.07 -0.69 0.00 0.00 178.15 178.06 1gnl h LEU 84 N 0.42 0.64 -0.90 1.44 3.38 -1.07 -0.86 115.31 118.36 1gnl h LEU 84 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1gnl h LEU 84 Cb 0.59 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1gnl h LEU 84 CO 0.03 0.57 0.52 0.00 0.09 0.00 0.00 178.44 179.66 1gnl h ALA 85 N 1.09 1.15 -0.47 1.53 0.00 -0.97 -1.62 119.26 119.97 1gnl h ALA 85 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1gnl h ALA 85 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1gnl h ALA 85 CO -0.02 0.63 -0.04 1.49 0.00 0.00 0.00 179.25 181.30 1gnl h GLU 86 N 1.25 0.81 -0.47 0.00 4.57 -0.78 -1.57 114.58 118.39 1gnl h GLU 86 Ca 0.32 -0.24 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1gnl h GLU 86 Cb -0.02 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 1gnl h GLU 86 CO -0.06 0.84 0.05 0.00 -1.18 0.00 0.00 179.01 178.66 1gnl h ARG 87 N 0.74 0.75 -0.24 1.92 3.08 -0.62 -0.55 114.38 119.46 1gnl h ARG 87 Ca 0.14 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.03 1gnl h ARG 87 Cb 0.51 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1gnl h ARG 87 CO 0.03 0.72 0.11 0.28 -1.07 0.00 0.00 179.97 180.04 1gnl h VAL 88 N 0.71 0.98 -0.49 2.04 2.07 -0.70 -1.25 116.25 119.61 1gnl h VAL 88 Ca 0.15 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1gnl h VAL 88 Cb 0.36 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1gnl h VAL 88 CO 0.01 0.04 0.30 0.03 0.02 0.00 0.00 177.57 177.97 1gnl h ARG 89 N 0.23 0.59 -0.94 1.57 3.08 -0.71 -0.14 114.38 118.06 1gnl h ARG 89 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1gnl h ARG 89 Cb 0.04 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 1gnl h ARG 89 CO -0.08 0.39 0.56 0.52 -1.07 0.00 0.00 179.97 180.29 1gnl h MET 90 N 0.61 1.27 -0.38 0.04 2.86 -0.93 -1.17 114.93 117.23 1gnl h MET 90 Ca 0.19 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1gnl h MET 90 Cb -0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.37 1gnl h MET 90 CO -0.07 0.89 -0.27 1.15 1.06 0.00 0.00 176.91 179.66 1gnl h THR 91 N 1.29 1.28 -0.71 2.22 2.02 -0.72 -1.27 112.91 117.03 1gnl h THR 91 Ca 0.34 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1gnl h THR 91 Cb -0.06 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1gnl h THR 91 CO -0.06 0.48 0.39 0.00 0.37 0.00 0.00 175.52 176.69 1gnl h ALA 93 N 1.19 0.67 -0.46 0.00 0.00 -1.06 -2.11 119.26 117.49 1gnl h ALA 93 Ca 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1gnl h ALA 93 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1gnl h ALA 93 CO -0.04 0.27 -0.00 0.00 0.00 0.00 0.00 179.25 179.48 1gnl h ALA 94 N 1.06 0.62 -0.00 0.00 0.00 -0.95 -2.08 119.26 117.91 1gnl h ALA 94 Ca 0.17 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1gnl h ALA 94 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1gnl h ALA 94 CO -0.02 0.43 -0.65 1.57 0.00 0.00 0.00 179.25 180.59 1gnl h LYS 95 N 0.67 0.00 -0.50 0.00 2.10 -1.07 -1.46 116.57 116.32 1gnl h LYS 95 Ca 0.13 -0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.73 1gnl h LYS 95 Cb 0.51 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 1gnl h LYS 95 CO 0.02 0.65 0.14 -0.22 -2.00 0.00 0.00 179.45 178.04 1gnl h LYS 96 N 0.00 0.79 -0.44 0.07 3.64 -1.19 -0.98 116.57 118.46 1gnl h LYS 96 Ca -0.01 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1gnl h LYS 96 Cb 1.14 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1gnl h LYS 96 CO 0.08 0.75 0.14 1.49 -2.27 0.00 0.00 179.45 179.65 1gnl h GLU 97 N 0.68 0.68 -0.65 1.90 4.81 -1.13 -3.01 114.58 117.86 1gnl h GLU 97 Ca 0.16 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1gnl h GLU 97 Cb 0.30 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1gnl h GLU 97 CO -0.00 0.66 0.08 -0.07 -0.73 0.00 0.00 179.01 178.94 1gnl h LEU 98 N 0.58 1.06 -1.87 1.64 3.38 -1.09 -2.76 115.31 116.24 1gnl h LEU 98 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gnl h LEU 98 Cb 0.26 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1gnl h LEU 98 CO -0.01 1.07 0.08 0.00 0.09 0.00 0.00 178.44 179.67 1gnl h ALA 99 N 1.03 1.91 0.00 1.53 0.00 -1.10 -1.09 119.26 121.53 1gnl h ALA 99 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1gnl h ALA 99 Cb 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1gnl h ALA 99 CO 0.02 0.09 -0.07 0.00 0.00 0.00 0.00 179.25 179.28 1gnl h ALA 100 N 1.92 1.32 -0.00 0.00 0.00 -1.35 -1.88 119.26 119.26 1gnl h ALA 100 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gnl h ALA 100 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gnl h ALA 100 CO -0.01 0.09 -0.13 0.43 0.00 0.00 0.00 179.25 179.63 1gnl n SER 101 N -3.64 0.26 -4.75 0.00 7.64 -0.41 -4.89 113.62 107.84 1gnl n SER 101 Ca -0.02 -0.11 -0.41 0.00 1.01 0.00 0.00 58.87 59.34 1gnl n SER 101 Cb 0.18 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1gnl n SER 101 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gnl s LEU 102 N -2.75 4.47 -0.02 -3.43 1.43 -0.71 -4.94 118.68 112.72 1gnl s LEU 102 Ca 0.21 2.31 -0.23 0.00 -1.03 0.00 0.00 54.13 55.39 1gnl s LEU 102 Cb 0.19 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.58 1gnl s LEU 102 CO 0.53 -0.35 1.11 0.74 0.23 0.00 0.00 176.35 178.62 1gnl h THR 103 N 3.52 1.48 -3.67 5.49 2.02 -1.90 -3.40 112.91 116.45 1gnl h THR 103 Ca -0.46 -1.81 -0.69 0.00 0.77 0.00 0.00 66.41 64.22 1gnl h THR 103 Cb 1.21 2.53 -0.28 0.00 -1.74 0.00 0.00 68.15 69.87 1gnl h THR 103 CO 0.72 0.51 -0.61 -0.62 0.37 0.00 0.00 175.52 175.89 1gnl s ASP 104 N -6.33 5.30 0.00 4.18 -1.08 -1.26 -4.95 116.67 112.53 1gnl s ASP 104 Ca -0.15 -1.11 0.23 0.00 -0.52 0.00 0.00 52.55 51.00 1gnl s ASP 104 Cb 0.02 -1.87 0.43 0.00 -1.46 0.00 0.00 42.92 40.04 1gnl s ASP 104 CO 0.76 -0.32 1.40 0.29 0.52 0.00 0.00 175.17 177.81 1gnl n LYS 105 N 4.81 2.50 -2.10 4.34 5.02 -1.26 -5.00 118.16 126.47 1gnl n LYS 105 Ca -0.13 -2.30 -0.36 0.00 -2.02 0.00 0.00 58.31 53.50 1gnl n LYS 105 Cb 0.45 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 1gnl n LYS 105 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1gnl s SER 106 N -1.43 5.61 -1.50 4.39 1.04 -1.26 -3.54 113.70 117.01 1gnl s SER 106 Ca 0.39 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.19 1gnl s SER 106 Cb 0.22 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.74 1gnl s SER 106 CO 0.31 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1gnl n GLY 107 N 0.45 0.32 3.73 7.32 0.00 -1.26 -4.96 105.19 110.80 1gnl n GLY 107 Ca 0.11 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1gnl n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gnl s LEU 108 N -4.36 4.38 0.96 0.99 1.43 -1.23 -4.99 118.68 115.86 1gnl s LEU 108 Ca 0.00 2.57 -0.12 0.00 -1.03 0.00 0.00 54.13 55.55 1gnl s LEU 108 Cb 0.00 -3.61 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1gnl s LEU 108 CO 0.00 -0.70 1.11 -0.94 0.23 0.00 0.00 176.35 176.05 1gnl s SER 109 N 0.62 2.99 0.33 2.29 1.04 -1.26 -4.83 113.70 114.89 1gnl s SER 109 Ca 0.62 1.10 0.03 0.00 0.48 0.00 0.00 55.95 58.18 1gnl s SER 109 Cb -0.41 -1.73 0.58 0.00 0.10 0.00 0.00 66.02 64.56 1gnl s SER 109 CO 0.38 -2.89 1.89 -0.78 0.98 0.00 0.00 173.24 172.83 1gnl h ASP 110 N -1.73 0.58 -0.90 7.02 3.58 -1.98 -1.24 116.42 121.75 1gnl h ASP 110 Ca -0.53 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 56.82 1gnl h ASP 110 Cb 1.33 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 42.19 1gnl h ASP 110 CO 0.59 0.59 0.53 0.00 -2.88 0.00 0.00 179.24 178.07 1gnl h ALA 111 N 1.49 1.15 -0.26 -0.78 0.00 -1.92 0.32 119.26 119.25 1gnl h ALA 111 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1gnl h ALA 111 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1gnl h ALA 111 CO -0.00 0.63 -0.30 0.00 0.00 0.00 0.00 179.25 179.57 1gnl h ALA 112 N 1.29 0.98 0.00 0.00 0.00 -1.63 -3.34 119.26 116.56 1gnl h ALA 112 Ca 0.32 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 1gnl h ALA 112 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1gnl h ALA 112 CO -0.06 0.60 -1.83 1.28 0.00 0.00 0.00 179.25 179.24 1gnl n LEU 113 N -4.08 0.41 -4.77 0.00 4.77 -0.53 -4.82 117.00 107.98 1gnl n LEU 113 Ca -0.01 0.18 -0.40 0.00 -0.03 0.00 0.00 56.01 55.75 1gnl n LEU 113 Cb 0.45 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1gnl n LEU 113 CO 0.43 0.22 0.95 0.86 -1.33 0.00 0.00 177.39 178.52 1gnl s TRP 114 N -2.93 3.00 0.07 -1.77 -0.00 0.11 -5.04 118.94 112.38 1gnl s TRP 114 Ca -0.06 1.44 -0.13 0.00 -0.00 0.00 0.00 56.10 57.34 1gnl s TRP 114 Cb 0.09 -3.63 0.02 0.00 -0.00 0.00 0.00 33.47 29.95 1gnl s TRP 114 CO 0.84 -1.82 0.30 -1.83 -0.00 0.00 0.00 176.95 174.44 1gnl s GLU 115 N -1.97 0.87 -0.07 5.86 -1.05 -1.26 -4.94 118.70 116.14 1gnl s GLU 115 Ca 0.52 -0.63 -0.25 0.00 -0.15 0.00 0.00 54.97 54.46 1gnl s GLU 115 Cb -0.38 0.37 0.06 0.00 -0.44 0.00 0.00 34.13 33.74 1gnl s GLU 115 CO 0.50 -0.29 0.58 0.00 0.95 0.00 0.00 175.26 176.99 1gnl s ALA 116 N -3.04 -1.49 -0.02 -0.84 0.00 -1.26 -5.06 121.76 110.05 1gnl s ALA 116 Ca -0.02 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1gnl s ALA 116 Cb 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 23.12 22.91 1gnl s ALA 116 CO -0.06 -0.33 0.07 0.45 0.00 0.00 0.00 175.76 175.89 1gnl n SER 117 N 1.31 3.86 -4.70 0.00 2.88 -1.26 -4.62 113.62 111.09 1gnl n SER 117 Ca -0.19 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.94 1gnl n SER 117 Cb 0.57 0.97 -0.03 0.00 -0.75 0.00 0.00 64.21 64.96 1gnl n SER 117 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1gnl s GLU 118 N -2.25 4.46 0.26 -1.46 2.56 -1.26 -4.95 118.70 116.07 1gnl s GLU 118 Ca -0.02 1.24 -0.01 0.00 0.00 0.00 0.00 54.97 56.18 1gnl s GLU 118 Cb 0.02 -3.49 0.48 0.00 2.00 0.00 0.00 34.13 33.14 1gnl s GLU 118 CO 0.20 -0.13 1.82 -0.22 -0.56 0.00 0.00 175.26 176.37 1gnl h LYS 119 N 6.94 0.85 -0.68 4.30 3.64 -1.96 -1.49 116.57 128.17 1gnl h LYS 119 Ca -0.37 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.00 1gnl h LYS 119 Cb 1.19 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1gnl h LYS 119 CO 0.79 0.57 0.45 0.66 -2.27 0.00 0.00 179.45 179.65 1gnl h SER 120 N 0.88 0.70 0.11 4.20 4.64 -1.99 -0.81 113.55 121.27 1gnl h SER 120 Ca 0.45 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.63 1gnl h SER 120 Cb 0.44 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1gnl h SER 120 CO -0.26 0.48 -0.46 0.00 -0.87 0.00 0.00 176.83 175.72 1gnl h ALA 121 N 1.60 0.91 -0.45 5.18 0.00 -1.69 -1.39 119.26 123.42 1gnl h ALA 121 Ca 0.28 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1gnl h ALA 121 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gnl h ALA 121 CO -0.08 0.65 0.12 0.52 0.00 0.00 0.00 179.25 180.46 1gnl h MET 122 N 0.34 0.71 -0.65 0.00 2.07 -0.80 -1.73 114.93 114.87 1gnl h MET 122 Ca 0.02 -0.17 -0.01 0.00 -2.07 0.00 0.00 59.70 57.48 1gnl h MET 122 Cb 0.94 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.54 1gnl h MET 122 CO 0.08 0.71 0.38 -0.07 1.07 0.00 0.00 176.91 179.08 1gnl h LEU 123 N 0.59 0.79 -1.17 1.22 3.38 -1.02 -2.12 115.31 116.98 1gnl h LEU 123 Ca 0.14 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1gnl h LEU 123 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1gnl h LEU 123 CO -0.00 0.63 -0.18 0.00 0.09 0.00 0.00 178.44 178.98 1gnl h ALA 124 N 1.19 1.31 -0.10 1.53 0.00 -1.09 -2.88 119.26 119.22 1gnl h ALA 124 Ca 0.23 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1gnl h ALA 124 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1gnl h ALA 124 CO -0.04 0.46 -0.64 -0.22 0.00 0.00 0.00 179.25 178.81 1gnl h LYS 125 N 0.33 0.38 -0.88 0.00 1.63 -0.96 -3.33 116.57 113.75 1gnl h LYS 125 Ca 0.06 -0.27 0.13 0.00 -0.85 0.00 0.00 60.65 59.72 1gnl h LYS 125 Cb 0.51 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.12 1gnl h LYS 125 CO 0.03 0.89 0.57 0.00 -3.45 0.00 0.00 179.45 177.49 1gnl h ALA 126 N 1.04 1.81 -0.01 5.00 0.00 -1.16 -2.11 119.26 123.82 1gnl h ALA 126 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gnl h ALA 126 Cb 1.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1gnl h ALA 126 CO 0.11 -0.03 0.03 0.78 0.00 0.00 0.00 179.25 180.14 1gnl h GLY 127 N 0.71 0.00 -1.45 0.00 0.00 -1.71 -1.66 103.07 98.96 1gnl h GLY 127 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1gnl h GLY 127 CO -0.20 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.04 1gnl n THR 128 N -3.36 0.52 -0.65 4.70 -2.24 -0.80 -4.58 114.28 107.87 1gnl n THR 128 Ca -0.03 -0.76 0.01 0.00 -2.27 0.00 0.00 64.05 61.01 1gnl n THR 128 Cb 0.11 0.89 0.02 0.00 -2.10 0.00 0.00 70.33 69.24 1gnl n THR 128 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1gnl n VAL 129 N 0.84 0.68 -0.92 2.28 0.24 -0.64 -4.72 118.33 116.10 1gnl n VAL 129 Ca 0.12 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 1gnl n VAL 129 Cb 0.43 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 1gnl n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gnl n GLY 130 N -0.40 0.46 0.24 7.63 0.00 -1.14 -4.79 105.19 107.19 1gnl n GLY 130 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1gnl n GLY 130 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gnl h VAL 131 N -0.01 0.77 0.00 1.61 2.07 -1.93 -2.03 116.25 116.74 1gnl h VAL 131 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1gnl h VAL 131 Cb 0.00 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1gnl h VAL 131 CO 0.00 0.08 0.00 0.23 0.02 0.00 0.00 177.57 177.90 1gnl n MET 132 N -4.98 0.63 0.29 1.57 2.81 -1.26 -3.09 117.12 113.09 1gnl n MET 132 Ca 0.09 0.02 0.18 0.00 -1.81 0.00 0.00 57.70 56.18 1gnl n MET 132 Cb 0.28 -1.50 0.82 0.00 -0.71 0.00 0.00 33.22 32.12 1gnl n MET 132 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gnl h ALA 133 N 3.40 1.04 -2.47 3.04 0.00 -1.65 -3.40 119.26 119.22 1gnl h ALA 133 Ca 0.00 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.26 1gnl h ALA 133 Cb 0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 1gnl h ALA 133 CO 0.00 0.04 0.08 0.99 0.00 0.00 0.00 179.25 180.36 1gnl s THR 134 N -3.86 4.99 0.06 0.00 2.01 -1.18 -4.97 115.64 112.68 1gnl s THR 134 Ca -0.01 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.68 1gnl s THR 134 Cb 0.11 -3.94 -0.17 0.00 0.01 0.00 0.00 72.50 68.51 1gnl s THR 134 CO 0.52 -0.06 1.25 0.71 -0.69 0.00 0.00 174.62 176.35 1gnl h THR 135 N 5.49 1.35 -3.13 -0.82 1.35 -1.91 -3.44 112.91 111.79 1gnl h THR 135 Ca -0.27 -1.84 -0.53 0.00 -0.55 0.00 0.00 66.41 63.21 1gnl h THR 135 Cb 1.13 2.14 0.01 0.00 -1.73 0.00 0.00 68.15 69.70 1gnl h THR 135 CO 0.77 0.56 0.62 -0.62 -0.25 0.00 0.00 175.52 176.60 1gnl s ASP 136 N -6.75 6.99 0.22 5.36 2.15 -1.26 -4.94 116.67 118.45 1gnl s ASP 136 Ca -0.12 2.13 -0.07 0.00 0.43 0.00 0.00 52.55 54.92 1gnl s ASP 136 Cb 0.06 -2.58 0.19 0.00 -0.30 0.00 0.00 42.92 40.29 1gnl s ASP 136 CO 0.84 -0.53 1.79 0.44 -0.17 0.00 0.00 175.17 177.54 1gnl h ASP 137 N 6.78 1.08 0.06 -0.34 3.32 -1.99 -0.01 116.42 125.32 1gnl h ASP 137 Ca -0.42 -0.16 -0.24 0.00 0.02 0.00 0.00 57.03 56.23 1gnl h ASP 137 Cb 1.21 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 40.51 1gnl h ASP 137 CO 0.83 0.95 -0.97 0.44 -1.72 0.00 0.00 179.24 178.77 1gnl h ASP 138 N 1.14 0.75 -0.77 6.45 3.32 -1.98 -1.61 116.42 123.73 1gnl h ASP 138 Ca 0.26 -0.80 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 1gnl h ASP 138 Cb 0.21 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1gnl h ASP 138 CO -0.02 1.47 0.45 0.58 -1.72 0.00 0.00 179.24 179.99 1gnl h VAL 139 N 0.12 1.22 -0.11 -1.35 2.07 -1.95 -1.12 116.25 115.13 1gnl h VAL 139 Ca -0.14 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1gnl h VAL 139 Cb 1.67 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1gnl h VAL 139 CO 0.19 0.24 0.06 -0.09 0.02 0.00 0.00 177.57 177.99 1gnl h ARG 140 N 1.05 0.13 -0.24 1.57 2.43 -0.96 0.89 114.38 119.25 1gnl h ARG 140 Ca 0.27 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1gnl h ARG 140 Cb -0.01 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1gnl h ARG 140 CO -0.05 0.09 0.09 1.03 -1.51 0.00 0.00 179.97 179.62 1gnl h SER 141 N 0.13 0.11 -0.40 -3.80 0.87 -1.07 -1.79 113.55 107.59 1gnl h SER 141 Ca 0.04 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 1gnl h SER 141 Cb -0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1gnl h SER 141 CO -0.02 0.09 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.06 1gnl h LEU 142 N 0.20 0.91 -0.86 2.23 3.38 -1.06 -0.07 115.31 120.05 1gnl h LEU 142 Ca 0.11 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1gnl h LEU 142 Cb 0.07 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1gnl h LEU 142 CO -0.10 1.13 0.55 0.03 0.09 0.00 0.00 178.44 180.14 1gnl h ARG 143 N 0.68 1.02 0.15 1.13 3.08 -0.64 -0.74 114.38 119.07 1gnl h ARG 143 Ca 0.08 -0.06 -0.29 0.00 0.07 0.00 0.00 59.98 59.79 1gnl h ARG 143 Cb 0.82 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 30.65 1gnl h ARG 143 CO 0.07 0.67 -1.28 -1.49 -1.07 0.00 0.00 179.97 176.87 1gnl h TRP 144 N 1.05 0.61 -0.50 3.04 4.06 -1.21 -0.32 115.95 122.68 1gnl h TRP 144 Ca 0.35 -0.44 0.07 0.00 2.06 0.00 0.00 58.89 60.93 1gnl h TRP 144 Cb 0.04 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.12 1gnl h TRP 144 CO -0.02 1.34 0.17 1.25 -3.56 0.00 0.00 178.44 177.62 1gnl h LEU 145 N 0.10 0.17 -0.22 -4.49 5.85 -0.83 0.81 115.31 116.70 1gnl h LEU 145 Ca -0.16 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1gnl h LEU 145 Cb 2.00 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 1gnl h LEU 145 CO 0.22 0.12 0.05 0.40 -0.34 0.00 0.00 178.44 178.89 1gnl h ILE 146 N 0.34 1.21 -0.61 4.05 2.04 -1.10 -0.87 117.51 122.58 1gnl h ILE 146 Ca 0.24 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.44 1gnl h ILE 146 Cb 0.26 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1gnl h ILE 146 CO -0.25 0.22 0.35 0.74 0.00 0.00 0.00 178.15 179.21 1gnl h THR 147 N 0.18 1.00 -0.59 -0.27 2.02 -0.63 0.10 112.91 114.72 1gnl h THR 147 Ca 0.07 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 1gnl h THR 147 Cb 0.29 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1gnl h THR 147 CO 0.00 0.12 0.08 -0.26 0.37 0.00 0.00 175.52 175.84 1gnl h PHE 148 N 0.66 1.06 -0.72 3.16 0.04 -0.68 -0.98 116.94 119.48 1gnl h PHE 148 Ca 0.26 -0.15 0.04 0.00 2.80 0.00 0.00 57.97 60.92 1gnl h PHE 148 Cb 0.12 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 37.93 1gnl h PHE 148 CO -0.07 0.92 0.44 0.78 -0.60 0.00 0.00 178.31 179.78 1gnl h GLY 149 N 0.89 1.05 1.31 -1.45 0.00 -0.65 -2.24 103.07 101.99 1gnl h GLY 149 Ca 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1gnl h GLY 149 CO 0.01 0.25 0.27 1.41 0.00 0.00 0.00 176.54 178.49 1gnl h LEU 150 N 0.84 0.81 -0.35 3.11 3.38 -0.36 -0.67 115.31 122.06 1gnl h LEU 150 Ca 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1gnl h LEU 150 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1gnl h LEU 150 CO -0.14 0.70 0.22 0.11 0.09 0.00 0.00 178.44 179.43 1gnl h LYS 151 N 0.88 0.47 -0.62 1.13 1.57 -0.63 0.65 116.57 120.02 1gnl h LYS 151 Ca 0.21 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1gnl h LYS 151 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1gnl h LYS 151 CO -0.02 0.33 0.24 0.78 -0.57 0.00 0.00 179.45 180.20 1gnl h GLY 152 N 0.47 1.00 0.83 3.86 0.00 -1.00 -1.23 103.07 107.00 1gnl h GLY 152 Ca 0.13 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1gnl h GLY 152 CO -0.03 0.52 0.35 1.98 0.00 0.00 0.00 176.54 179.36 1gnl h MET 153 N 0.87 0.66 -0.75 4.80 1.85 -0.96 -2.44 114.93 118.95 1gnl h MET 153 Ca 0.20 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.21 1gnl h MET 153 Cb 0.22 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.07 1gnl h MET 153 CO -0.01 0.44 0.31 0.00 -0.40 0.00 0.00 176.91 177.24 1gnl h ALA 154 N 1.27 1.12 -0.02 0.39 0.00 -0.53 0.27 119.26 121.76 1gnl h ALA 154 Ca 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1gnl h ALA 154 Cb 0.06 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1gnl h ALA 154 CO -0.12 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.76 1gnl h ALA 155 N 1.24 0.02 -0.50 0.00 0.00 -0.81 0.14 119.26 119.34 1gnl h ALA 155 Ca 0.25 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1gnl h ALA 155 Cb 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1gnl h ALA 155 CO -0.02 -0.49 0.10 1.88 0.00 0.00 0.00 179.25 180.71 1gnl h TYR 156 N 0.01 0.88 -0.93 0.00 0.05 -1.20 -1.89 116.97 113.89 1gnl h TYR 156 Ca 0.01 -0.12 0.04 0.00 0.05 0.00 0.00 58.73 58.71 1gnl h TYR 156 Cb 0.01 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 37.45 1gnl h TYR 156 CO -0.09 0.79 0.61 0.00 -1.05 0.00 0.00 178.16 178.42 1gnl h ALA 157 N 0.98 1.41 -0.44 3.88 0.00 -0.79 -1.96 119.26 122.34 1gnl h ALA 157 Ca 0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1gnl h ALA 157 Cb 0.38 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gnl h ALA 157 CO 0.01 0.49 -0.10 -0.22 0.00 0.00 0.00 179.25 179.43 1gnl h LYS 158 N 1.16 0.85 -0.95 0.00 3.64 -0.24 -0.64 116.57 120.39 1gnl h LYS 158 Ca 0.37 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1gnl h LYS 158 Cb 0.03 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1gnl h LYS 158 CO -0.12 0.95 0.58 0.45 -2.27 0.00 0.00 179.45 179.05 1gnl h HIS 159 N 0.68 1.24 -0.68 1.91 3.86 -1.04 -0.15 115.15 120.97 1gnl h HIS 159 Ca 0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1gnl h HIS 159 Cb 0.63 -0.41 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 1gnl h HIS 159 CO 0.05 0.81 0.28 0.00 0.86 0.00 0.00 177.93 179.93 1gnl h ALA 160 N 1.34 0.88 -0.69 2.45 0.00 -1.02 -2.93 119.26 119.29 1gnl h ALA 160 Ca 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1gnl h ALA 160 Cb -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1gnl h ALA 160 CO -0.07 0.49 0.30 0.22 0.00 0.00 0.00 179.25 180.19 1gnl h ASP 161 N 0.96 0.93 -0.76 0.00 3.58 -0.51 -0.62 116.42 119.99 1gnl h ASP 161 Ca 0.23 -0.16 0.15 0.00 0.42 0.00 0.00 57.03 57.67 1gnl h ASP 161 Cb 0.19 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1gnl h ASP 161 CO -0.02 0.83 0.51 0.58 -2.88 0.00 0.00 179.24 178.26 1gnl h VAL 162 N 0.97 0.79 -0.47 2.25 2.07 -0.88 0.29 116.25 121.28 1gnl h VAL 162 Ca 0.23 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1gnl h VAL 162 Cb 0.17 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1gnl h VAL 162 CO -0.02 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.82 1gnl n LEU 163 N -4.48 2.76 0.00 2.57 4.77 -0.58 -4.35 117.00 117.69 1gnl n LEU 163 Ca 0.15 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 1gnl n LEU 163 Cb 0.53 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1gnl n LEU 163 CO 0.33 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1gnl n GLY 164 N 1.15 0.76 3.31 -0.72 0.00 0.09 -5.04 105.19 104.74 1gnl n GLY 164 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1gnl n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gnl s LYS 165 N -0.52 3.33 -0.04 1.61 -0.14 -0.35 -4.96 119.74 118.68 1gnl s LYS 165 Ca 0.00 -0.68 -0.19 0.00 -1.36 0.00 0.00 55.97 53.75 1gnl s LYS 165 Cb 0.00 -2.79 0.04 0.00 -1.68 0.00 0.00 37.83 33.40 1gnl s LYS 165 CO 0.00 -0.02 0.41 -3.38 -0.76 0.00 0.00 175.35 171.61 1gnl s HIS 166 N 0.95 -0.33 -0.11 3.18 -3.43 -1.26 -2.03 115.29 112.26 1gnl s HIS 166 Ca -0.02 0.57 0.02 0.00 -0.80 0.00 0.00 55.06 54.84 1gnl s HIS 166 Cb -0.15 0.18 0.01 0.00 -1.43 0.00 0.00 32.58 31.19 1gnl s HIS 166 CO -0.01 -0.43 -0.18 -1.21 -2.00 0.00 0.00 174.74 170.92 1gnl s GLU 167 N -1.12 2.45 0.29 -0.38 2.02 -1.26 -5.03 118.70 115.68 1gnl s GLU 167 Ca -0.11 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1gnl s GLU 167 Cb -0.04 -2.02 0.60 0.00 0.10 0.00 0.00 34.13 32.78 1gnl s GLU 167 CO 0.05 -0.01 1.84 -0.97 0.02 0.00 0.00 175.26 176.19 1gnl h ASN 168 N 7.27 0.88 -0.28 -0.19 -0.73 -2.01 -1.27 115.58 119.26 1gnl h ASN 168 Ca -0.30 0.05 -0.02 0.00 1.87 0.00 0.00 56.30 57.90 1gnl h ASN 168 Cb 1.19 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.63 1gnl h ASN 168 CO 0.50 0.46 0.12 0.77 -0.37 0.00 0.00 177.43 178.91 1gnl h SER 169 N 0.94 0.42 0.02 1.15 4.64 -1.98 0.24 113.55 118.99 1gnl h SER 169 Ca 0.49 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1gnl h SER 169 Cb 0.53 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1gnl h SER 169 CO -0.26 0.40 -0.01 0.25 -0.87 0.00 0.00 176.83 176.34 1gnl h LEU 170 N 0.47 -0.02 -0.88 5.97 5.85 -1.68 -1.16 115.31 123.86 1gnl h LEU 170 Ca 0.12 -0.67 -0.03 0.00 0.84 0.00 0.00 57.88 58.13 1gnl h LEU 170 Cb 0.12 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1gnl h LEU 170 CO -0.01 0.68 0.37 0.44 -0.34 0.00 0.00 178.44 179.58 1gnl h ASP 171 N -0.74 1.08 -0.48 1.25 3.32 -1.35 -1.44 116.42 118.06 1gnl h ASP 171 Ca -0.00 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1gnl h ASP 171 Cb 0.69 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1gnl h ASP 171 CO 0.00 0.92 0.15 0.00 -1.72 0.00 0.00 179.24 178.59 1gnl h ALA 172 N 1.24 0.63 -0.33 3.45 0.00 -1.00 -2.19 119.26 121.06 1gnl h ALA 172 Ca 0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gnl h ALA 172 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gnl h ALA 172 CO -0.03 0.29 0.21 0.35 0.00 0.00 0.00 179.25 180.06 1gnl h PHE 173 N 0.64 0.42 -0.75 0.00 3.57 -0.88 -0.31 116.94 119.63 1gnl h PHE 173 Ca 0.15 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1gnl h PHE 173 Cb 0.28 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1gnl h PHE 173 CO 0.01 0.28 0.44 1.98 -2.23 0.00 0.00 178.31 178.80 1gnl h MET 174 N 0.43 0.77 -0.16 1.11 4.05 -1.06 0.15 114.93 120.22 1gnl h MET 174 Ca 0.12 -0.05 -0.17 0.00 -0.28 0.00 0.00 59.70 59.32 1gnl h MET 174 Cb -0.02 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1gnl h MET 174 CO -0.02 0.51 -0.60 1.96 0.23 0.00 0.00 176.91 178.98 1gnl h GLN 175 N 0.79 0.56 -0.29 0.39 4.20 -1.15 -1.31 115.11 118.29 1gnl h GLN 175 Ca 0.34 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 1gnl h GLN 175 Cb 0.21 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1gnl h GLN 175 CO -0.19 0.99 -0.05 1.49 -0.67 0.00 0.00 178.83 180.40 1gnl h GLU 176 N 0.41 0.55 -0.51 1.46 4.81 -0.49 -1.72 114.58 119.10 1gnl h GLU 176 Ca -0.00 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.98 1gnl h GLU 176 Cb 1.16 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1gnl h GLU 176 CO 0.11 0.74 0.16 0.00 -0.73 0.00 0.00 179.01 179.29 1gnl h ALA 177 N 0.80 0.67 -0.45 2.92 0.00 -0.68 -0.24 119.26 122.28 1gnl h ALA 177 Ca 0.08 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.86 1gnl h ALA 177 Cb 0.52 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1gnl h ALA 177 CO 0.03 0.33 0.12 -0.07 0.00 0.00 0.00 179.25 179.66 1gnl h LEU 178 N 0.70 0.07 -0.80 0.00 3.38 -1.18 -2.07 115.31 115.41 1gnl h LEU 178 Ca 0.17 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1gnl h LEU 178 Cb 0.28 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1gnl h LEU 178 CO -0.00 0.07 0.53 0.00 0.09 0.00 0.00 178.44 179.12 1gnl h ALA 179 N 1.33 1.02 0.00 1.53 0.00 -0.89 -2.43 119.26 119.82 1gnl h ALA 179 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1gnl h ALA 179 Cb 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1gnl h ALA 179 CO -0.26 0.41 -0.12 0.87 0.00 0.00 0.00 179.25 180.15 1gnl h LYS 180 N 1.07 0.00 0.00 0.00 1.57 -0.40 -1.20 116.57 117.61 1gnl h LYS 180 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1gnl h LYS 180 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1gnl h LYS 180 CO -0.07 0.12 0.00 0.25 -0.57 0.00 0.00 179.45 179.18 1gnl n THR 181 N -4.18 0.62 0.74 -0.16 -2.24 -0.84 -1.71 114.28 106.51 1gnl n THR 181 Ca -0.02 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 1gnl n THR 181 Cb 0.20 -0.90 0.04 0.00 -2.10 0.00 0.00 70.33 67.58 1gnl n THR 181 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gnl n LEU 182 N -1.32 2.16 -4.52 3.22 4.77 -0.46 -4.94 117.00 115.92 1gnl n LEU 182 Ca 0.07 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.71 1gnl n LEU 182 Cb 0.13 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 1gnl n LEU 182 CO 0.12 0.39 0.60 -0.62 -1.33 0.00 0.00 177.39 176.55 1gnl s ASP 183 N -1.66 6.35 0.03 -1.43 -1.08 -0.70 -4.91 116.67 113.27 1gnl s ASP 183 Ca 0.18 -0.33 0.14 0.00 -0.52 0.00 0.00 52.55 52.03 1gnl s ASP 183 Cb 0.14 -2.39 0.60 0.00 -1.46 0.00 0.00 42.92 39.82 1gnl s ASP 183 CO 0.30 -1.03 1.45 0.47 0.52 0.00 0.00 175.17 176.88 1gnl n ASP 184 N 6.91 0.08 0.03 -0.34 8.00 -1.26 -2.93 116.55 127.03 1gnl n ASP 184 Ca 0.01 0.52 0.13 0.00 0.71 0.00 0.00 54.79 56.16 1gnl n ASP 184 Cb 0.47 -0.54 0.43 0.00 -0.02 0.00 0.00 41.12 41.46 1gnl n ASP 184 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1gnl n SER 185 N -1.59 0.36 -4.74 -2.24 3.41 -1.26 -4.86 113.62 102.69 1gnl n SER 185 Ca 0.03 0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 58.50 1gnl n SER 185 Cb 0.16 -0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1gnl n SER 185 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1gnl s LEU 186 N -3.42 4.47 0.78 1.04 1.43 -1.15 -5.02 118.68 116.80 1gnl s LEU 186 Ca 0.12 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1gnl s LEU 186 Cb 0.17 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.84 1gnl s LEU 186 CO 0.61 -0.32 1.14 -0.94 0.23 0.00 0.00 176.35 177.07 1gnl s SER 187 N -0.06 4.71 0.23 2.29 1.04 -1.26 -4.91 113.70 115.74 1gnl s SER 187 Ca 0.51 0.80 -0.08 0.00 0.48 0.00 0.00 55.95 57.67 1gnl s SER 187 Cb -0.32 -1.37 0.24 0.00 0.10 0.00 0.00 66.02 64.67 1gnl s SER 187 CO 0.37 -1.77 1.87 0.58 0.98 0.00 0.00 173.24 175.27 1gnl h VAL 188 N -0.93 1.12 -0.65 5.02 2.07 -1.97 -1.29 116.25 119.62 1gnl h VAL 188 Ca -0.46 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1gnl h VAL 188 Cb 1.31 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1gnl h VAL 188 CO 0.65 0.18 0.41 0.00 0.02 0.00 0.00 177.57 178.83 1gnl h ALA 189 N 1.34 0.83 -0.69 1.67 0.00 -1.99 0.69 119.26 121.11 1gnl h ALA 189 Ca 0.32 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1gnl h ALA 189 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1gnl h ALA 189 CO -0.11 0.18 0.40 -0.44 0.00 0.00 0.00 179.25 179.27 1gnl h ASP 190 N 0.81 0.60 0.18 0.00 3.32 -1.77 -1.54 116.42 118.03 1gnl h ASP 190 Ca 0.25 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 1gnl h ASP 190 Cb -0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1gnl h ASP 190 CO -0.09 0.39 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.19 1gnl h LEU 191 N 0.73 0.44 -0.49 1.55 3.38 -0.40 -0.07 115.31 120.45 1gnl h LEU 191 Ca 0.30 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1gnl h LEU 191 Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1gnl h LEU 191 CO -0.17 0.91 0.13 0.58 0.09 0.00 0.00 178.44 179.98 1gnl h VAL 192 N 0.30 1.24 -0.76 1.22 2.07 -0.66 -0.46 116.25 119.19 1gnl h VAL 192 Ca 0.00 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1gnl h VAL 192 Cb 1.08 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1gnl h VAL 192 CO 0.10 0.30 0.43 0.00 0.02 0.00 0.00 177.57 178.42 1gnl h ALA 193 N 1.00 0.98 -0.11 1.67 0.00 -1.02 -2.09 119.26 119.69 1gnl h ALA 193 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1gnl h ALA 193 Cb 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1gnl h ALA 193 CO 0.00 0.48 -0.20 1.25 0.00 0.00 0.00 179.25 180.78 1gnl h LEU 194 N 1.05 0.17 -0.48 0.00 5.85 -0.72 -0.57 115.31 120.61 1gnl h LEU 194 Ca 0.27 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1gnl h LEU 194 Cb 0.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1gnl h LEU 194 CO -0.05 0.38 0.16 0.74 -0.34 0.00 0.00 178.44 179.34 1gnl h THR 195 N 0.17 1.22 -0.23 1.05 2.02 -0.45 0.54 112.91 117.24 1gnl h THR 195 Ca 0.03 -0.74 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 1gnl h THR 195 Cb 0.45 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1gnl h THR 195 CO 0.03 0.27 -0.44 -0.07 0.37 0.00 0.00 175.52 175.68 1gnl h LEU 196 N 0.64 0.62 -0.93 2.58 3.38 -0.86 -1.72 115.31 119.02 1gnl h LEU 196 Ca 0.16 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1gnl h LEU 196 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1gnl h LEU 196 CO -0.01 0.98 0.04 -0.08 0.09 0.00 0.00 178.44 179.46 1gnl h GLU 197 N 0.47 0.83 -0.76 1.13 4.81 -0.89 -1.53 114.58 118.62 1gnl h GLU 197 Ca 0.03 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1gnl h GLU 197 Cb 0.96 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1gnl h GLU 197 CO 0.09 0.80 0.50 1.15 -0.73 0.00 0.00 179.01 180.82 1gnl h THR 198 N 0.78 1.20 -0.84 0.32 2.02 -0.59 -1.24 112.91 114.56 1gnl h THR 198 Ca 0.16 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1gnl h THR 198 Cb 0.41 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 1gnl h THR 198 CO 0.01 0.19 0.49 1.23 0.37 0.00 0.00 175.52 177.82 1gnl h GLY 199 N 1.03 1.23 0.96 2.16 0.00 -0.71 0.34 103.07 108.09 1gnl h GLY 199 Ca 0.28 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1gnl h GLY 199 CO -0.06 0.51 0.17 1.70 0.00 0.00 0.00 176.54 178.86 1gnl h LYS 200 N 1.16 0.41 0.00 4.80 3.64 -0.71 -1.05 116.57 124.83 1gnl h LYS 200 Ca 0.30 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1gnl h LYS 200 Cb -0.02 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1gnl h LYS 200 CO -0.05 0.35 -0.02 0.74 -2.27 0.00 0.00 179.45 178.20 1gnl h PHE 201 N 0.37 0.00 -0.29 1.91 0.04 -0.99 -1.92 116.94 116.06 1gnl h PHE 201 Ca 0.10 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 1gnl h PHE 201 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1gnl h PHE 201 CO -0.03 0.02 0.08 0.78 -0.60 0.00 0.00 178.31 178.55 1gnl h GLY 202 N 2.05 0.49 0.64 -1.45 0.00 0.05 0.50 103.07 105.36 1gnl h GLY 202 Ca -0.00 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 47.09 1gnl h GLY 202 CO 0.00 0.28 0.25 -2.08 0.00 0.00 0.00 176.54 174.99 1gnl h VAL 203 N 0.30 0.91 -0.64 4.60 2.07 -0.62 -0.81 116.25 122.05 1gnl h VAL 203 Ca 0.09 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.46 1gnl h VAL 203 Cb 0.27 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1gnl h VAL 203 CO -0.00 0.09 0.41 0.28 0.02 0.00 0.00 177.57 178.37 1gnl h SER 204 N 0.48 0.69 -0.48 0.57 0.02 -0.98 0.79 113.55 114.64 1gnl h SER 204 Ca 0.25 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1gnl h SER 204 Cb 0.19 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1gnl h SER 204 CO -0.19 0.49 0.11 0.00 -1.14 0.00 0.00 176.83 176.09 1gnl h ALA 205 N 1.26 0.64 -0.54 3.77 0.00 -0.61 -0.77 119.26 123.02 1gnl h ALA 205 Ca 0.25 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1gnl h ALA 205 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1gnl h ALA 205 CO -0.08 0.34 0.08 0.52 0.00 0.00 0.00 179.25 180.11 1gnl h MET 206 N 0.66 0.86 -0.47 0.00 2.86 -0.80 -1.23 114.93 116.81 1gnl h MET 206 Ca 0.15 -0.20 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1gnl h MET 206 Cb 0.34 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1gnl h MET 206 CO 0.00 0.81 -0.11 0.00 1.06 0.00 0.00 176.91 178.67 1gnl h ALA 207 N 1.27 0.65 -0.48 6.32 0.00 -0.61 -0.61 119.26 125.80 1gnl h ALA 207 Ca 0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1gnl h ALA 207 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1gnl h ALA 207 CO 0.01 0.54 0.15 1.25 0.00 0.00 0.00 179.25 181.20 1gnl h LEU 208 N 0.75 0.70 -0.60 0.00 5.85 -0.88 -1.15 115.31 119.98 1gnl h LEU 208 Ca 0.12 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1gnl h LEU 208 Cb 0.66 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1gnl h LEU 208 CO 0.05 0.73 -0.04 0.25 -0.34 0.00 0.00 178.44 179.08 1gnl h LEU 209 N 0.64 1.05 -0.39 2.25 5.85 -1.11 -0.28 115.31 123.32 1gnl h LEU 209 Ca 0.15 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1gnl h LEU 209 Cb 0.28 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1gnl h LEU 209 CO -0.00 1.12 0.23 -0.78 -0.34 0.00 0.00 178.44 178.67 1gnl h ASP 210 N 0.96 0.38 -0.79 1.25 1.82 -0.91 0.99 116.42 120.12 1gnl h ASP 210 Ca 0.16 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.75 1gnl h ASP 210 Cb 0.61 -0.08 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 1gnl h ASP 210 CO 0.04 0.28 0.30 0.00 -1.61 0.00 0.00 179.24 178.24 1gnl h ALA 211 N 1.17 1.02 -0.11 -0.78 0.00 -1.00 -1.10 119.26 118.46 1gnl h ALA 211 Ca 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gnl h ALA 211 Cb -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1gnl h ALA 211 CO -0.07 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 1gnl h ALA 212 N 1.16 0.15 0.06 0.00 0.00 -0.53 0.12 119.26 120.22 1gnl h ALA 212 Ca 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gnl h ALA 212 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1gnl h ALA 212 CO -0.02 -0.16 -0.03 -0.91 0.00 0.00 0.00 179.25 178.13 1gnl h ASN 213 N -0.08 -0.07 0.29 0.00 2.35 -0.76 -2.03 115.58 115.29 1gnl h ASN 213 Ca 0.03 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.44 1gnl h ASN 213 Cb 0.36 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1gnl h ASN 213 CO 0.01 0.13 -0.67 0.71 -1.65 0.00 0.00 177.43 175.96 1gnl h THR 214 N -0.27 1.38 -0.06 2.81 1.35 -1.25 -0.46 112.91 116.41 1gnl h THR 214 Ca -0.01 -2.07 -0.07 0.00 -0.55 0.00 0.00 66.41 63.71 1gnl h THR 214 Cb 0.24 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.70 1gnl h THR 214 CO 0.01 0.62 -0.26 1.23 -0.25 0.00 0.00 175.52 176.87 1gnl h GLY 215 N 1.37 0.12 0.56 5.82 0.00 -0.75 0.14 103.07 110.32 1gnl h GLY 215 Ca -0.02 -0.09 -0.33 0.00 0.00 0.00 0.00 47.33 46.90 1gnl h GLY 215 CO 0.11 0.08 -1.74 -0.84 0.00 0.00 0.00 176.54 174.15 1gnl h THR 216 N 0.10 0.79 -0.08 4.70 2.02 -1.22 -3.41 112.91 115.81 1gnl h THR 216 Ca 0.02 -2.35 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1gnl h THR 216 Cb 0.52 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1gnl h THR 216 CO 0.04 0.77 0.00 -1.22 0.37 0.00 0.00 175.52 175.48 1gnl n TYR 217 N -3.73 0.11 0.00 3.16 4.01 -0.19 -4.95 117.16 115.56 1gnl n TYR 217 Ca -0.30 -0.24 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1gnl n TYR 217 Cb 0.97 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 1gnl n TYR 217 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gnl n GLY 218 N 0.16 0.02 3.71 2.72 0.00 0.03 -1.42 105.19 110.42 1gnl n GLY 218 Ca 0.04 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1gnl n GLY 218 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gnl s HIS 219 N -2.38 3.59 0.50 1.61 3.76 -1.26 -4.25 115.29 116.86 1gnl s HIS 219 Ca 0.00 1.56 -0.21 0.00 -0.15 0.00 0.00 55.06 56.26 1gnl s HIS 219 Cb 0.00 -3.23 -0.09 0.00 1.11 0.00 0.00 32.58 30.37 1gnl s HIS 219 CO 0.00 -0.47 0.81 -2.30 -0.85 0.00 0.00 174.74 171.92 1gnl n PRO 220 N 3.71 0.92 -4.14 8.40 -0.02 -1.26 -4.37 135.00 138.24 1gnl n PRO 220 Ca 0.06 0.34 -0.09 0.00 -2.02 0.00 0.00 63.50 61.79 1gnl n PRO 220 Cb 0.49 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 1gnl n PRO 220 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1gnl s GLU 221 N -2.13 0.81 0.16 -0.52 -1.05 -0.38 -4.24 118.70 111.35 1gnl s GLU 221 Ca 0.67 -1.34 -0.34 0.00 -0.15 0.00 0.00 54.97 53.81 1gnl s GLU 221 Cb -0.51 0.05 -0.14 0.00 -0.44 0.00 0.00 34.13 33.10 1gnl s GLU 221 CO 0.54 -0.13 1.61 -0.89 0.95 0.00 0.00 175.26 177.34 1gnl n ILE 222 N -0.02 0.01 -3.78 1.83 5.41 -1.25 -4.31 119.36 117.25 1gnl n ILE 222 Ca -0.10 -0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.52 1gnl n ILE 222 Cb 0.62 -1.61 -0.12 0.00 -0.71 0.00 0.00 39.64 37.82 1gnl n ILE 222 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1gnl s THR 223 N 1.01 -0.00 -0.23 1.39 2.01 0.17 -4.99 115.64 115.01 1gnl s THR 223 Ca 0.78 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.67 1gnl s THR 223 Cb -0.65 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1gnl s THR 223 CO 0.37 0.00 0.23 -0.54 -0.69 0.00 0.00 174.62 173.99 1gnl s LYS 224 N 0.21 4.11 -0.19 4.92 1.02 -1.26 -1.59 119.74 126.96 1gnl s LYS 224 Ca -0.01 -0.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.82 1gnl s LYS 224 Cb -0.02 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.74 1gnl s LYS 224 CO -0.00 0.05 -0.04 0.08 -0.92 0.00 0.00 175.35 174.51 1gnl s VAL 225 N 1.09 3.60 0.22 3.17 1.01 0.68 -4.94 120.40 125.23 1gnl s VAL 225 Ca 0.11 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 1gnl s VAL 225 Cb -0.14 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.55 1gnl s VAL 225 CO 0.05 0.45 1.33 0.21 0.00 0.00 0.00 175.10 177.15 1gnl s ASN 226 N 0.93 6.85 0.00 3.32 2.47 -1.26 -0.90 114.94 126.34 1gnl s ASN 226 Ca -0.00 2.47 0.14 0.00 0.42 0.00 0.00 52.86 55.88 1gnl s ASN 226 Cb -0.15 -2.61 0.05 0.00 -1.45 0.00 0.00 41.25 37.09 1gnl s ASN 226 CO 0.01 -0.56 0.85 2.30 -3.72 0.00 0.00 177.10 175.99 1gnl n ILE 227 N 2.47 0.00 -1.81 -5.21 -5.35 -0.75 -1.36 119.36 107.35 1gnl n ILE 227 Ca 0.06 -0.43 -0.15 0.00 -0.27 0.00 0.00 62.75 61.96 1gnl n ILE 227 Cb 0.42 1.23 0.09 0.00 -1.74 0.00 0.00 39.64 39.64 1gnl n ILE 227 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnl n GLY 228 N 0.92 -0.65 3.42 3.28 0.00 -1.24 -4.46 105.19 106.46 1gnl n GLY 228 Ca 0.07 -1.79 -0.21 0.00 0.00 0.00 0.00 46.02 44.09 1gnl n GLY 228 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gnl s VAL 229 N -2.22 1.63 0.00 1.61 -7.23 -1.26 -4.63 120.40 108.31 1gnl s VAL 229 Ca 0.39 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1gnl s VAL 229 Cb -0.01 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1gnl s VAL 229 CO 0.27 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1gnl n GLY 230 N -0.57 1.38 0.50 2.32 0.00 -1.26 -5.06 105.19 102.50 1gnl n GLY 230 Ca -0.05 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 44.00 1gnl n GLY 230 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gnl n SER 231 N -2.25 2.14 -4.91 1.61 3.41 -1.26 -4.60 113.62 107.76 1gnl n SER 231 Ca 0.00 -1.57 -0.28 0.00 -0.26 0.00 0.00 58.87 56.75 1gnl n SER 231 Cb 0.00 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1gnl n SER 231 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1gnl s ASN 232 N -0.98 6.43 0.59 4.04 0.01 -1.26 -4.68 114.94 119.09 1gnl s ASN 232 Ca 0.15 0.62 -0.20 0.00 -0.71 0.00 0.00 52.86 52.73 1gnl s ASN 232 Cb 0.10 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.62 1gnl s ASN 232 CO 0.15 -0.15 1.29 -2.65 -1.51 0.00 0.00 177.10 174.23 1gnl n PRO 233 N -0.84 1.39 -4.29 -0.60 -0.02 -1.26 -4.34 135.00 125.04 1gnl n PRO 233 Ca -0.03 0.53 -0.15 0.00 -2.02 0.00 0.00 63.50 61.83 1gnl n PRO 233 Cb 0.54 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 1gnl n PRO 233 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1gnl s GLY 234 N -1.12 1.61 -0.10 -1.23 0.00 -1.26 -1.42 107.32 103.80 1gnl s GLY 234 Ca 0.76 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1gnl s GLY 234 CO 0.46 -1.56 -0.17 -0.42 0.00 0.00 0.00 173.10 171.40 1gnl s ILE 235 N -3.78 2.71 -0.35 0.90 1.01 -0.09 -3.61 121.20 117.98 1gnl s ILE 235 Ca 0.35 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 60.07 1gnl s ILE 235 Cb 0.07 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 1gnl s ILE 235 CO 0.12 0.55 0.25 -0.22 0.00 0.00 0.00 174.94 175.63 1gnl s LEU 236 N 0.11 4.61 -0.17 2.97 2.96 -0.31 -1.23 118.68 127.62 1gnl s LEU 236 Ca -0.08 -0.51 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1gnl s LEU 236 Cb -0.15 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1gnl s LEU 236 CO 0.05 -0.27 0.19 -0.51 -1.32 0.00 0.00 176.35 174.50 1gnl s ILE 237 N 1.71 5.38 0.33 6.68 2.07 -0.00 -0.37 121.20 136.99 1gnl s ILE 237 Ca 0.06 0.33 0.04 0.00 -1.41 0.00 0.00 60.65 59.67 1gnl s ILE 237 Cb -0.18 -3.52 -0.06 0.00 0.13 0.00 0.00 42.46 38.83 1gnl s ILE 237 CO 0.10 0.45 0.05 -0.55 -1.91 0.00 0.00 174.94 173.08 1gnl s SER 238 N 0.18 2.49 0.00 4.50 0.15 0.14 -1.12 113.70 120.04 1gnl s SER 238 Ca 0.12 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1gnl s SER 238 Cb -0.12 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1gnl s SER 238 CO 0.01 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1gnl n GLY 239 N -0.69 0.37 0.00 9.45 0.00 -1.26 -1.56 105.19 111.50 1gnl n GLY 239 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1gnl n GLY 239 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gnl n HIS 240 N 2.65 0.00 -2.61 1.61 8.25 -1.26 -2.07 115.22 121.79 1gnl n HIS 240 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1gnl n HIS 240 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1gnl n HIS 240 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1gnl s ASP 241 N -0.53 6.67 0.33 0.41 2.15 -1.26 -4.89 116.67 119.56 1gnl s ASP 241 Ca 0.00 0.54 0.16 0.00 0.43 0.00 0.00 52.55 53.68 1gnl s ASP 241 Cb 0.00 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.60 1gnl s ASP 241 CO 0.00 -1.20 1.67 -0.07 -0.17 0.00 0.00 175.17 175.39 1gnl h LEU 242 N 11.07 0.00 -0.58 -1.34 3.38 -1.97 -3.11 115.31 122.76 1gnl h LEU 242 Ca -0.23 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.61 1gnl h LEU 242 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1gnl h LEU 242 CO 1.12 0.47 -0.32 -0.09 0.09 0.00 0.00 178.44 179.70 1gnl h ARG 243 N 0.00 0.78 -0.81 1.13 9.65 -1.96 -1.22 114.38 121.95 1gnl h ARG 243 Ca -0.00 -0.37 0.03 0.00 -1.10 0.00 0.00 59.98 58.53 1gnl h ARG 243 Cb 1.01 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.53 1gnl h ARG 243 CO 0.06 0.99 0.52 -0.44 2.80 0.00 0.00 179.97 183.91 1gnl h ASP 244 N 0.66 0.88 -0.42 -3.80 3.32 -1.95 -1.97 116.42 113.14 1gnl h ASP 244 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1gnl h ASP 244 Cb 0.86 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1gnl h ASP 244 CO 0.07 0.61 0.24 0.25 -1.72 0.00 0.00 179.24 178.70 1gnl h LEU 245 N 1.03 0.51 -0.27 1.55 5.85 -1.41 -0.40 115.31 122.17 1gnl h LEU 245 Ca 0.32 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1gnl h LEU 245 Cb -0.02 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 1gnl h LEU 245 CO -0.10 0.43 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.29 1gnl h GLU 246 N 0.55 0.01 -0.66 1.25 4.81 -0.76 0.15 114.58 119.92 1gnl h GLU 246 Ca 0.15 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1gnl h GLU 246 Cb 0.02 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1gnl h GLU 246 CO -0.03 0.00 0.13 0.52 -0.73 0.00 0.00 179.01 178.91 1gnl h MET 247 N 0.01 1.07 -0.52 1.92 2.86 -1.19 -1.80 114.93 117.28 1gnl h MET 247 Ca 0.13 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1gnl h MET 247 Cb 0.20 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1gnl h MET 247 CO -0.27 0.97 0.12 1.25 1.06 0.00 0.00 176.91 180.04 1gnl h LEU 248 N 0.99 0.80 -0.52 1.22 5.85 -0.45 -1.37 115.31 121.83 1gnl h LEU 248 Ca 0.20 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1gnl h LEU 248 Cb 0.40 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1gnl h LEU 248 CO 0.01 0.83 0.23 -0.07 -0.34 0.00 0.00 178.44 179.10 1gnl h LEU 249 N 0.74 0.70 -0.88 2.25 3.38 -0.60 -0.49 115.31 120.41 1gnl h LEU 249 Ca 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1gnl h LEU 249 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1gnl h LEU 249 CO 0.00 0.65 0.27 0.11 0.09 0.00 0.00 178.44 179.57 1gnl h LYS 250 N 0.70 1.10 0.00 1.13 1.57 -1.18 -2.47 116.57 117.42 1gnl h LYS 250 Ca 0.18 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1gnl h LYS 250 Cb 0.16 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1gnl h LYS 250 CO -0.02 0.90 -0.35 1.96 -0.57 0.00 0.00 179.45 181.38 1gnl h GLN 251 N 1.07 0.00 0.00 3.15 4.20 -1.06 -3.11 115.11 119.36 1gnl h GLN 251 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1gnl h GLN 251 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1gnl h GLN 251 CO -0.02 0.35 -0.28 0.25 -0.67 0.00 0.00 178.83 178.46 1gnl n THR 252 N -3.23 0.07 -1.67 -0.54 -2.24 -0.21 -4.81 114.28 101.65 1gnl n THR 252 Ca 0.02 -0.05 -0.49 0.00 -2.27 0.00 0.00 64.05 61.27 1gnl n THR 252 Cb 0.63 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1gnl n THR 252 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1gnl n GLU 253 N -1.61 1.96 -0.93 -0.78 4.07 -0.95 -1.71 120.64 120.69 1gnl n GLU 253 Ca 0.06 0.71 0.00 0.00 -0.06 0.00 0.00 57.16 57.87 1gnl n GLU 253 Cb 0.35 -2.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.24 1gnl n GLU 253 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1gnl n GLY 254 N 3.85 0.84 0.02 8.31 0.00 -1.26 -4.92 105.19 112.03 1gnl n GLY 254 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1gnl n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gnl n THR 255 N -2.27 0.09 -0.86 2.61 -2.24 -0.69 -4.96 114.28 105.95 1gnl n THR 255 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1gnl n THR 255 Cb 0.00 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1gnl n THR 255 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gnl n GLY 256 N 1.41 0.78 3.54 3.38 0.00 -1.26 -5.03 105.19 108.00 1gnl n GLY 256 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1gnl n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gnl s VAL 257 N -3.01 4.66 0.48 1.61 1.01 -1.26 -4.37 120.40 119.52 1gnl s VAL 257 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1gnl s VAL 257 Cb 0.00 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1gnl s VAL 257 CO 0.00 0.37 0.80 -1.81 0.00 0.00 0.00 175.10 174.46 1gnl s ASP 258 N 1.20 6.30 -0.08 3.32 1.01 -0.51 -4.85 116.67 123.06 1gnl s ASP 258 Ca 0.05 1.00 0.05 0.00 0.71 0.00 0.00 52.55 54.35 1gnl s ASP 258 Cb -0.14 -2.28 -0.00 0.00 1.01 0.00 0.00 42.92 41.51 1gnl s ASP 258 CO 0.04 -0.57 -0.23 -0.69 0.21 0.00 0.00 175.17 173.92 1gnl s VAL 259 N -2.72 1.98 0.18 -1.27 1.01 -0.34 -0.92 120.40 118.32 1gnl s VAL 259 Ca 0.49 -0.99 0.10 0.00 0.00 0.00 0.00 61.98 61.58 1gnl s VAL 259 Cb -0.10 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1gnl s VAL 259 CO 0.44 0.55 -0.23 -0.31 0.00 0.00 0.00 175.10 175.55 1gnl s TYR 260 N 0.20 2.15 0.26 5.22 1.51 -0.37 -0.37 117.35 125.94 1gnl s TYR 260 Ca -0.14 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.59 1gnl s TYR 260 Cb -0.16 -1.08 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1gnl s TYR 260 CO 0.07 0.43 0.31 0.95 -1.11 0.00 0.00 175.55 176.19 1gnl s THR 261 N -1.68 4.79 -0.03 -0.71 -4.23 -0.53 -0.82 115.64 112.43 1gnl s THR 261 Ca 0.18 -1.16 -0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1gnl s THR 261 Cb -0.08 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.14 1gnl s THR 261 CO 0.08 -0.32 0.08 -2.28 -0.54 0.00 0.00 174.62 171.65 1gnl s HIS 262 N -2.07 -0.09 0.00 3.99 2.46 -0.27 -0.56 115.29 118.76 1gnl s HIS 262 Ca 0.35 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.09 1gnl s HIS 262 Cb -0.08 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.39 1gnl s HIS 262 CO 0.28 -0.05 0.00 0.45 -2.47 0.00 0.00 174.74 172.95 1gnl n SER 263 N 3.09 0.00 -0.23 9.88 2.88 -1.23 -1.45 113.62 126.56 1gnl n SER 263 Ca -0.13 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.51 1gnl n SER 263 Cb 0.59 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.55 1gnl n SER 263 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1gnl n GLU 264 N 0.00 1.31 0.00 -1.46 -0.58 -1.24 -3.00 120.64 115.67 1gnl n GLU 264 Ca 0.00 -0.46 0.12 0.00 -0.42 0.00 0.00 57.16 56.40 1gnl n GLU 264 Cb 0.00 -1.35 0.23 0.00 -0.57 0.00 0.00 31.44 29.75 1gnl n GLU 264 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1gnl n MET 265 N -0.33 0.27 -0.29 3.49 2.81 -0.53 -4.34 117.12 118.20 1gnl n MET 265 Ca 0.16 -0.17 0.05 0.00 -1.81 0.00 0.00 57.70 55.92 1gnl n MET 265 Cb 0.18 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.33 1gnl n MET 265 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1gnl h LEU 266 N 0.41 -0.62 -1.39 4.03 5.85 -1.71 -1.11 115.31 120.77 1gnl h LEU 266 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1gnl h LEU 266 Cb 0.51 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1gnl h LEU 266 CO 0.00 -0.26 0.00 -0.65 -0.34 0.00 0.00 178.44 177.19 1gnl h PRO 267 N 0.03 0.00 -0.71 5.25 0.11 -1.86 -2.12 132.00 132.70 1gnl h PRO 267 Ca 0.42 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.70 1gnl h PRO 267 Cb 0.71 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 1gnl h PRO 267 CO -0.81 0.00 0.49 0.00 -0.21 0.00 0.00 178.00 177.47 1gnl h ALA 268 N 2.07 2.30 0.00 -0.75 0.00 -1.50 -0.20 119.26 121.18 1gnl h ALA 268 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gnl h ALA 268 Cb 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gnl h ALA 268 CO 0.00 -0.49 -0.03 0.45 0.00 0.00 0.00 179.25 179.18 1gnl h HIS 269 N 0.26 0.00 0.00 0.00 3.86 -1.57 -2.56 115.15 115.13 1gnl h HIS 269 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1gnl h HIS 269 Cb 0.99 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1gnl h HIS 269 CO -0.00 0.03 -0.06 0.66 0.86 0.00 0.00 177.93 179.41 1gnl n TYR 270 N -3.36 0.64 -3.13 2.45 4.01 -0.09 -4.85 117.16 112.84 1gnl n TYR 270 Ca -0.02 0.19 -0.39 0.00 -0.16 0.00 0.00 57.90 57.51 1gnl n TYR 270 Cb 0.14 -0.79 -0.05 0.00 -0.31 0.00 0.00 39.34 38.33 1gnl n TYR 270 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1gnl s TYR 271 N -3.08 3.58 0.29 -0.72 1.51 -0.97 -1.25 117.35 116.72 1gnl s TYR 271 Ca 0.11 1.16 0.04 0.00 -1.01 0.00 0.00 57.07 57.38 1gnl s TYR 271 Cb 0.14 -2.72 0.71 0.00 -0.11 0.00 0.00 41.96 39.98 1gnl s TYR 271 CO 0.59 0.14 1.74 -1.35 -1.11 0.00 0.00 175.55 175.57 1gnl h PRO 272 N 6.60 0.59 0.00 -1.71 0.11 -1.74 -2.29 132.00 133.55 1gnl h PRO 272 Ca -0.42 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1gnl h PRO 272 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1gnl h PRO 272 CO 0.75 0.39 -0.04 0.00 -0.21 0.00 0.00 178.00 178.89 1gnl h ALA 273 N 1.66 1.36 -0.01 -0.75 0.00 -1.60 -2.35 119.26 117.57 1gnl h ALA 273 Ca 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1gnl h ALA 273 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1gnl h ALA 273 CO -0.43 0.05 -0.48 1.19 0.00 0.00 0.00 179.25 179.57 1gnl n PHE 274 N -3.66 0.00 0.25 0.00 3.72 -0.86 -4.26 117.46 112.64 1gnl n PHE 274 Ca -0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1gnl n PHE 274 Cb 0.13 -0.09 0.48 0.00 -0.94 0.00 0.00 39.48 39.06 1gnl n PHE 274 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1gnl h LYS 275 N 1.12 0.00 0.00 -1.08 1.57 -1.47 -3.13 116.57 113.58 1gnl h LYS 275 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1gnl h LYS 275 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1gnl h LYS 275 CO 0.00 0.04 0.00 0.36 -0.57 0.00 0.00 179.45 179.28 1gnl n LYS 276 N -3.13 0.08 -3.17 3.15 2.85 -1.26 -4.70 118.16 111.98 1gnl n LYS 276 Ca 0.02 0.22 -0.43 0.00 -1.05 0.00 0.00 58.31 57.07 1gnl n LYS 276 Cb 0.40 -1.63 -0.07 0.00 -0.65 0.00 0.00 35.03 33.08 1gnl n LYS 276 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1gnl s TYR 277 N -3.08 3.11 0.43 5.58 2.02 -1.18 -4.94 117.35 119.29 1gnl s TYR 277 Ca 0.09 -0.04 0.17 0.00 -0.37 0.00 0.00 57.07 56.92 1gnl s TYR 277 Cb 0.12 -3.16 1.08 0.00 -0.40 0.00 0.00 41.96 39.60 1gnl s TYR 277 CO 0.41 -0.75 2.00 0.00 -1.57 0.00 0.00 175.55 175.63 1gnl h ALA 278 N 8.73 1.57 -0.12 3.71 0.00 -1.91 -2.22 119.26 129.03 1gnl h ALA 278 Ca -0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1gnl h ALA 278 Cb 1.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1gnl h ALA 278 CO 0.85 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.94 1gnl n HIS 279 N -4.14 0.15 -2.90 0.00 1.44 -1.26 -4.66 115.22 103.84 1gnl n HIS 279 Ca -0.02 -0.08 -0.43 0.00 -2.01 0.00 0.00 57.72 55.18 1gnl n HIS 279 Cb 0.26 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.32 1gnl n HIS 279 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1gnl s PHE 280 N -1.85 2.84 0.00 -1.40 5.36 -0.84 -1.20 117.98 120.89 1gnl s PHE 280 Ca 0.30 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.11 1gnl s PHE 280 Cb 0.16 -3.98 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 1gnl s PHE 280 CO 0.24 -1.31 0.00 1.63 -1.46 0.00 0.00 175.22 174.32 1gnl n LYS 281 N 7.22 1.09 -0.05 10.12 4.76 0.50 -4.97 118.16 136.83 1gnl n LYS 281 Ca -0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1gnl n LYS 281 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1gnl n LYS 281 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gnl n GLY 282 N 5.00 2.31 3.51 0.72 0.00 -1.26 -4.85 105.19 110.63 1gnl n GLY 282 Ca 0.00 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1gnl n GLY 282 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gnl s ASN 283 N -0.87 5.02 -0.22 1.61 2.47 -0.46 -1.45 114.94 121.03 1gnl s ASN 283 Ca 0.00 -0.11 -0.07 0.00 0.42 0.00 0.00 52.86 53.11 1gnl s ASN 283 Cb 0.00 -1.85 -0.03 0.00 -1.45 0.00 0.00 41.25 37.93 1gnl s ASN 283 CO 0.00 0.13 0.05 -0.47 -3.72 0.00 0.00 177.10 173.08 1gnl s TYR 284 N 0.63 3.09 0.00 0.43 5.04 0.28 -4.31 117.35 122.51 1gnl s TYR 284 Ca -0.00 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 1gnl s TYR 284 Cb -0.14 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.01 1gnl s TYR 284 CO 0.02 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.39 1gnl n GLY 285 N 4.51 -0.35 0.00 8.97 0.00 -1.26 -4.57 105.19 112.50 1gnl n GLY 285 Ca -0.17 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1gnl n GLY 285 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gnl n ASN 286 N 0.77 0.00 -4.76 1.61 3.02 -1.26 -4.90 115.26 109.74 1gnl n ASN 286 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1gnl n ASN 286 Cb 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.28 1gnl n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gnl s ALA 287 N -2.00 1.92 0.38 5.41 0.00 -1.26 -3.46 121.76 122.74 1gnl s ALA 287 Ca 0.00 -0.14 0.17 0.00 0.00 0.00 0.00 51.96 52.00 1gnl s ALA 287 Cb 0.00 -3.15 1.10 0.00 0.00 0.00 0.00 23.12 21.07 1gnl s ALA 287 CO 0.00 -2.02 1.72 0.11 0.00 0.00 0.00 175.76 175.57 1gnl h TRP 288 N -1.31 0.77 0.00 0.00 5.08 -1.94 -2.37 115.95 116.19 1gnl h TRP 288 Ca -0.48 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1gnl h TRP 288 Cb 1.28 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.22 1gnl h TRP 288 CO 0.45 -0.02 0.00 -2.67 -1.28 0.00 0.00 178.44 174.92 1gnl n TRP 289 N -4.77 0.24 0.45 0.12 4.27 -1.26 -1.81 117.44 114.69 1gnl n TRP 289 Ca 0.28 0.09 0.06 0.00 -3.89 0.00 0.00 57.50 54.05 1gnl n TRP 289 Cb 0.94 -0.64 0.20 0.00 -1.36 0.00 0.00 31.31 30.46 1gnl n TRP 289 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1gnl n LYS 290 N -1.71 2.28 0.21 -2.67 5.02 -0.89 -4.56 118.16 115.84 1gnl n LYS 290 Ca 0.04 -1.64 0.08 0.00 -2.02 0.00 0.00 58.31 54.77 1gnl n LYS 290 Cb 0.25 -1.47 0.41 0.00 -0.02 0.00 0.00 35.03 34.20 1gnl n LYS 290 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1gnl h GLN 291 N 2.54 0.00 -0.32 1.97 3.07 -1.55 -1.45 115.11 119.36 1gnl h GLN 291 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1gnl h GLN 291 Cb 0.75 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.29 1gnl h GLN 291 CO 0.06 0.28 0.17 0.87 0.09 0.00 0.00 178.83 180.29 1gnl h LYS 292 N 0.00 0.43 0.10 0.06 1.57 -1.85 0.15 116.57 117.04 1gnl h LYS 292 Ca -0.00 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 1gnl h LYS 292 Cb 0.81 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1gnl h LYS 292 CO 0.04 0.33 -1.19 0.93 -0.57 0.00 0.00 179.45 178.99 1gnl h GLU 293 N 0.44 0.21 0.08 3.15 3.07 -1.81 -3.33 114.58 116.39 1gnl h GLU 293 Ca 0.11 -0.36 -0.25 0.00 -0.50 0.00 0.00 59.36 58.36 1gnl h GLU 293 Cb 0.03 0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1gnl h GLU 293 CO -0.02 1.17 -1.11 0.93 -1.40 0.00 0.00 179.01 178.58 1gnl h GLU 294 N -0.44 0.36 -0.49 2.33 5.08 -1.09 -2.00 114.58 118.33 1gnl h GLU 294 Ca -0.26 -0.48 -0.06 0.00 -1.00 0.00 0.00 59.36 57.56 1gnl h GLU 294 Cb 1.63 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 1gnl h GLU 294 CO 0.04 1.18 0.05 0.74 -1.00 0.00 0.00 179.01 180.02 1gnl h PHE 295 N 0.15 0.81 0.09 4.33 0.04 -0.92 -1.85 116.94 119.59 1gnl h PHE 295 Ca -0.12 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.55 1gnl h PHE 295 Cb 1.79 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.71 1gnl h PHE 295 CO 0.07 0.73 -0.04 1.49 -0.60 0.00 0.00 178.31 179.95 1gnl h GLU 296 N 0.74 -0.11 0.00 1.51 4.57 -1.62 -3.08 114.58 116.59 1gnl h GLU 296 Ca 0.15 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1gnl h GLU 296 Cb 0.38 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 1gnl h GLU 296 CO 0.01 0.03 0.00 0.66 -1.18 0.00 0.00 179.01 178.54 1gnl h SER 297 N -0.24 0.00 0.32 1.04 4.64 -1.24 -2.75 113.55 115.33 1gnl h SER 297 Ca -0.01 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1gnl h SER 297 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1gnl h SER 297 CO 0.02 0.00 -0.24 0.15 -0.87 0.00 0.00 176.83 175.89 1gnl h PHE 298 N 0.00 0.00 0.00 4.77 3.57 -1.24 -1.76 116.94 122.29 1gnl h PHE 298 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gnl h PHE 298 Cb 0.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1gnl h PHE 298 CO 0.00 0.24 0.00 0.09 -2.23 0.00 0.00 178.31 176.41 1gnl n ASN 299 N -4.03 0.00 -4.72 0.41 5.03 -1.04 -3.55 115.26 107.36 1gnl n ASN 299 Ca -0.02 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.20 1gnl n ASN 299 Cb 0.31 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.17 1gnl n ASN 299 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1gnl s GLY 300 N 0.00 1.74 0.66 7.41 0.00 -1.26 -4.50 107.32 111.36 1gnl s GLY 300 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 44.72 42.64 1gnl s GLY 300 CO 0.00 -1.32 1.25 -4.14 0.00 0.00 0.00 173.10 168.89 1gnl s PRO 301 N -5.08 2.55 -0.09 2.90 0.02 -1.24 -4.82 135.00 129.24 1gnl s PRO 301 Ca 0.67 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.64 1gnl s PRO 301 Cb -0.05 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.62 1gnl s PRO 301 CO 0.44 -1.56 -0.19 0.08 -0.33 0.00 0.00 177.00 175.43 1gnl s VAL 302 N -1.60 1.71 -0.23 3.83 1.01 -0.28 -1.16 120.40 123.69 1gnl s VAL 302 Ca 0.79 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1gnl s VAL 302 Cb -0.34 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1gnl s VAL 302 CO 0.39 0.48 -0.04 -0.22 0.00 0.00 0.00 175.10 175.71 1gnl s LEU 303 N 0.51 3.00 -0.41 3.92 2.96 0.50 -0.49 118.68 128.68 1gnl s LEU 303 Ca -0.16 -0.53 -0.17 0.00 -0.22 0.00 0.00 54.13 53.05 1gnl s LEU 303 Cb -0.17 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1gnl s LEU 303 CO 0.06 -0.06 0.42 -0.76 -1.32 0.00 0.00 176.35 174.69 1gnl s LEU 304 N 1.44 4.83 0.17 -0.68 2.01 -0.12 -0.68 118.68 125.64 1gnl s LEU 304 Ca 0.04 -0.63 0.14 0.00 0.01 0.00 0.00 54.13 53.69 1gnl s LEU 304 Cb -0.15 -2.36 -0.07 0.00 0.01 0.00 0.00 46.19 43.62 1gnl s LEU 304 CO -0.04 -0.54 1.19 0.71 1.01 0.00 0.00 176.35 178.68 1gnl h THR 305 N 5.69 0.92 -2.61 5.49 1.35 -1.58 -2.61 112.91 119.57 1gnl h THR 305 Ca -0.27 -2.42 -0.07 0.00 -0.55 0.00 0.00 66.41 63.10 1gnl h THR 305 Cb 1.12 2.39 -0.02 0.00 -1.73 0.00 0.00 68.15 69.91 1gnl h THR 305 CO 0.78 0.53 -0.00 0.35 -0.25 0.00 0.00 175.52 176.92 1gnl n THR 306 N -3.14 0.00 -0.71 6.82 -2.24 -1.26 -4.60 114.28 109.15 1gnl n THR 306 Ca -0.03 -0.55 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1gnl n THR 306 Cb 0.83 0.38 0.17 0.00 -2.10 0.00 0.00 70.33 69.61 1gnl n THR 306 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gnl s ASN 307 N -1.77 2.82 -0.26 3.42 4.22 -1.26 -4.48 114.94 117.63 1gnl s ASN 307 Ca 0.09 2.11 -0.10 0.00 -2.14 0.00 0.00 52.86 52.82 1gnl s ASN 307 Cb -0.01 -2.54 -0.05 0.00 1.28 0.00 0.00 41.25 39.93 1gnl s ASN 307 CO 0.06 -3.16 0.15 0.00 -2.04 0.00 0.00 177.10 172.12 1gnl s LEU 309 N 1.44 3.70 0.03 0.00 2.96 -0.18 -4.93 118.68 121.69 1gnl s LEU 309 Ca 0.07 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1gnl s LEU 309 Cb -0.15 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1gnl s LEU 309 CO 0.07 0.15 0.19 -0.69 -1.32 0.00 0.00 176.35 174.75 1gnl s VAL 310 N 0.51 5.36 -0.16 1.68 1.01 -1.26 -4.63 120.40 122.91 1gnl s VAL 310 Ca 0.02 -0.32 -0.37 0.00 0.00 0.00 0.00 61.98 61.31 1gnl s VAL 310 Cb -0.13 -3.57 -0.14 0.00 0.00 0.00 0.00 36.38 32.54 1gnl s VAL 310 CO 0.01 0.21 1.75 -2.65 0.00 0.00 0.00 175.10 174.42 1gnl n PRO 311 N 0.56 1.56 -2.54 2.72 -0.02 -1.26 -4.86 135.00 131.16 1gnl n PRO 311 Ca -0.07 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 1gnl n PRO 311 Cb 0.52 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1gnl n PRO 311 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gnl s PRO 312 N 3.30 3.86 0.58 0.52 0.04 -1.26 -5.02 135.00 137.01 1gnl s PRO 312 Ca 0.94 1.39 -0.18 0.00 0.04 0.00 0.00 61.00 63.19 1gnl s PRO 312 Cb -0.91 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 1gnl s PRO 312 CO 0.58 -0.39 1.11 0.15 0.04 0.00 0.00 177.00 178.49 1gnl s LYS 313 N -3.10 3.22 0.44 4.56 -0.14 -1.26 -4.84 119.74 118.61 1gnl s LYS 313 Ca 0.66 1.49 0.15 0.00 -1.36 0.00 0.00 55.97 56.91 1gnl s LYS 313 Cb -0.17 -2.00 1.06 0.00 -1.68 0.00 0.00 37.83 35.04 1gnl s LYS 313 CO 0.21 -0.93 1.96 -0.44 -0.76 0.00 0.00 175.35 175.39 1gnl h ASP 314 N 0.82 0.35 -0.10 2.83 3.32 -2.00 -1.51 116.42 120.13 1gnl h ASP 314 Ca -0.49 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 1gnl h ASP 314 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1gnl h ASP 314 CO 0.56 0.20 0.06 0.77 -1.72 0.00 0.00 179.24 179.11 1gnl h SER 315 N 0.38 0.14 0.00 6.45 4.64 -2.01 -3.22 113.55 119.93 1gnl h SER 315 Ca 0.31 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1gnl h SER 315 Cb 0.68 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1gnl h SER 315 CO -0.08 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1gnl n TYR 316 N -4.50 0.00 -0.26 4.77 0.18 -0.99 -4.79 117.16 111.57 1gnl n TYR 316 Ca -0.01 -0.05 0.12 0.00 1.88 0.00 0.00 57.90 59.84 1gnl n TYR 316 Cb 0.10 -0.00 0.38 0.00 -0.38 0.00 0.00 39.34 39.43 1gnl n TYR 316 CO 0.00 0.00 0.00 -0.22 -2.08 0.00 0.00 176.86 174.56 1gnl h LYS 317 N 0.00 0.66 0.00 -3.48 3.64 -1.29 -0.53 116.57 115.57 1gnl h LYS 317 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1gnl h LYS 317 Cb 0.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1gnl h LYS 317 CO 0.00 0.44 0.00 -3.47 -2.27 0.00 0.00 179.45 174.15 1gnl n ASP 318 N -4.55 0.06 -0.32 4.20 2.03 -1.26 -2.29 116.55 114.41 1gnl n ASP 318 Ca 0.17 0.51 0.07 0.00 0.52 0.00 0.00 54.79 56.07 1gnl n ASP 318 Cb 0.46 -0.53 0.15 0.00 -0.72 0.00 0.00 41.12 40.48 1gnl n ASP 318 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1gnl n ARG 319 N -1.56 2.17 -3.24 -0.67 1.85 -0.21 -4.95 116.66 110.04 1gnl n ARG 319 Ca 0.04 -2.40 -0.39 0.00 -1.00 0.00 0.00 57.85 54.10 1gnl n ARG 319 Cb 0.18 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 30.06 1gnl n ARG 319 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1gnl s VAL 320 N -2.34 5.11 -0.10 8.89 1.01 -0.97 -1.12 120.40 130.88 1gnl s VAL 320 Ca 0.28 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.27 1gnl s VAL 320 Cb 0.23 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1gnl s VAL 320 CO 0.05 0.20 -0.19 -0.31 0.00 0.00 0.00 175.10 174.85 1gnl s TYR 321 N 1.45 2.65 0.27 5.22 1.51 0.35 -3.51 117.35 125.30 1gnl s TYR 321 Ca 0.25 -0.81 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 1gnl s TYR 321 Cb -0.15 -1.75 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1gnl s TYR 321 CO 0.10 -0.28 0.27 0.95 -1.11 0.00 0.00 175.55 175.48 1gnl s THR 322 N 0.24 4.51 0.31 -0.71 -4.23 -0.03 -0.94 115.64 114.78 1gnl s THR 322 Ca -0.13 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.01 1gnl s THR 322 Cb -0.16 -3.49 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1gnl s THR 322 CO 0.07 -0.31 0.56 0.28 -0.54 0.00 0.00 174.62 174.68 1gnl s THR 323 N -2.12 0.00 0.00 3.99 -1.32 -0.98 -0.32 115.64 114.88 1gnl s THR 323 Ca 0.35 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.48 1gnl s THR 323 Cb -0.08 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 1gnl s THR 323 CO 0.27 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.29 1gnl n GLY 324 N -0.48 2.99 1.40 6.08 0.00 -0.91 -1.88 105.19 112.40 1gnl n GLY 324 Ca -0.02 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.88 1gnl n GLY 324 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1gnl n ILE 325 N 0.00 1.33 -2.74 -0.61 -6.64 -1.26 -4.73 119.36 104.70 1gnl n ILE 325 Ca 0.00 -1.09 -0.37 0.00 -1.77 0.00 0.00 62.75 59.52 1gnl n ILE 325 Cb 0.00 0.35 -0.06 0.00 -1.44 0.00 0.00 39.64 38.49 1gnl n ILE 325 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 1gnl s VAL 326 N -1.34 4.12 -0.07 7.28 1.01 -0.78 -4.51 120.40 126.11 1gnl s VAL 326 Ca 0.48 1.75 -0.31 0.00 0.00 0.00 0.00 61.98 63.91 1gnl s VAL 326 Cb 0.28 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1gnl s VAL 326 CO 0.29 0.13 0.73 -0.83 0.00 0.00 0.00 175.10 175.42 1gnl s GLY 327 N -1.58 -0.53 -0.18 4.51 0.00 -0.80 -4.29 107.32 104.45 1gnl s GLY 327 Ca 0.51 1.44 -0.09 0.00 0.00 0.00 0.00 44.72 46.58 1gnl s GLY 327 CO 0.25 0.99 0.43 -0.12 0.00 0.00 0.00 173.10 174.64 1gnl s PHE 328 N -1.15 -0.67 0.12 1.90 2.19 -1.26 -1.11 117.98 118.00 1gnl s PHE 328 Ca -0.09 1.38 -0.33 0.00 0.33 0.00 0.00 56.93 58.22 1gnl s PHE 328 Cb -0.00 0.30 -0.12 0.00 -1.31 0.00 0.00 43.02 41.88 1gnl s PHE 328 CO 0.09 -0.38 1.71 2.41 1.83 0.00 0.00 175.22 180.88 1gnl n THR 329 N 4.47 0.19 -0.17 0.12 -1.04 -1.26 -1.20 114.28 115.38 1gnl n THR 329 Ca -0.21 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1gnl n THR 329 Cb 0.54 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1gnl n THR 329 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gnl n GLY 330 N 3.86 0.99 3.76 3.41 0.00 -1.26 -5.05 105.19 110.90 1gnl n GLY 330 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1gnl n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl n LYS 332 N 3.09 1.88 -4.83 0.00 5.02 -1.23 -4.73 118.16 117.36 1gnl n LYS 332 Ca -0.17 0.68 -0.26 0.00 -2.02 0.00 0.00 58.31 56.53 1gnl n LYS 332 Cb 0.53 -2.45 -0.16 0.00 -0.02 0.00 0.00 35.03 32.93 1gnl n LYS 332 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1gnl s HIS 333 N -1.23 1.74 -0.37 2.13 2.46 -1.26 -0.85 115.29 117.91 1gnl s HIS 333 Ca 0.64 -0.54 -0.13 0.00 0.47 0.00 0.00 55.06 55.50 1gnl s HIS 333 Cb -0.47 -1.19 0.01 0.00 -0.13 0.00 0.00 32.58 30.80 1gnl s HIS 333 CO 0.56 -0.20 0.24 0.42 -2.47 0.00 0.00 174.74 173.29 1gnl s ILE 334 N 0.14 4.99 0.32 0.89 1.01 0.56 -4.94 121.20 124.17 1gnl s ILE 334 Ca -0.06 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.70 1gnl s ILE 334 Cb -0.13 -3.71 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 1gnl s ILE 334 CO 0.03 -0.18 1.57 -0.81 0.00 0.00 0.00 174.94 175.55 1gnl n PRO 335 N 5.08 2.71 0.00 2.79 -0.04 -1.26 -4.04 135.00 140.24 1gnl n PRO 335 Ca -0.12 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.30 1gnl n PRO 335 Cb 0.48 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1gnl n PRO 335 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gnl n GLY 336 N 1.70 3.89 0.05 0.55 0.00 -1.26 -4.85 105.19 105.26 1gnl n GLY 336 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.43 1gnl n GLY 336 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1gnl n GLU 337 N 0.00 1.58 -0.03 1.61 0.28 -1.26 -2.13 120.64 120.69 1gnl n GLU 337 Ca 0.00 -1.27 0.02 0.00 -0.16 0.00 0.00 57.16 55.75 1gnl n GLU 337 Cb 0.00 -0.86 0.02 0.00 1.43 0.00 0.00 31.44 32.04 1gnl n GLU 337 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1gnl n ILE 338 N -0.41 0.96 -1.01 3.84 5.41 -1.26 -4.82 119.36 122.07 1gnl n ILE 338 Ca 0.02 -1.03 -0.00 0.00 1.00 0.00 0.00 62.75 62.74 1gnl n ILE 338 Cb 0.41 0.45 -0.00 0.00 -0.71 0.00 0.00 39.64 39.79 1gnl n ILE 338 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1gnl n GLY 339 N -0.57 0.47 3.76 7.39 0.00 -1.26 -4.52 105.19 110.46 1gnl n GLY 339 Ca 0.03 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1gnl n GLY 339 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gnl s GLU 340 N -0.57 1.53 0.03 1.61 0.41 -1.26 -4.88 118.70 115.57 1gnl s GLU 340 Ca 0.00 0.62 -0.37 0.00 -0.41 0.00 0.00 54.97 54.81 1gnl s GLU 340 Cb 0.00 -1.86 -0.16 0.00 -1.78 0.00 0.00 34.13 30.33 1gnl s GLU 340 CO 0.00 -2.00 1.43 1.58 -0.49 0.00 0.00 175.26 175.78 1gnl n HIS 341 N -3.69 1.66 -4.91 1.61 -0.00 -1.26 -4.95 115.22 103.68 1gnl n HIS 341 Ca 0.07 0.59 -0.32 0.00 -0.00 0.00 0.00 57.72 58.05 1gnl n HIS 341 Cb 0.57 -2.37 -0.13 0.00 -0.00 0.00 0.00 29.99 28.05 1gnl n HIS 341 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1gnl s LYS 342 N 1.04 2.42 -0.47 1.57 1.02 -1.26 -5.01 119.74 119.05 1gnl s LYS 342 Ca 0.86 -0.75 -0.18 0.00 0.02 0.00 0.00 55.97 55.93 1gnl s LYS 342 Cb -0.95 -2.33 0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1gnl s LYS 342 CO 0.49 0.61 0.53 0.34 -0.92 0.00 0.00 175.35 176.41 1gnl s ASP 343 N -0.79 6.21 -0.08 2.83 -1.08 -1.26 -4.91 116.67 117.58 1gnl s ASP 343 Ca 0.12 -0.85 0.16 0.00 -0.52 0.00 0.00 52.55 51.46 1gnl s ASP 343 Cb -0.11 -2.26 0.59 0.00 -1.46 0.00 0.00 42.92 39.69 1gnl s ASP 343 CO 0.01 -0.75 1.48 0.49 0.52 0.00 0.00 175.17 176.92 1gnl n PHE 344 N 5.86 1.19 -0.33 -5.34 3.72 -1.26 -4.57 117.46 116.73 1gnl n PHE 344 Ca -0.07 -0.48 0.02 0.00 -0.05 0.00 0.00 57.45 56.86 1gnl n PHE 344 Cb 0.46 -0.18 0.16 0.00 -0.94 0.00 0.00 39.48 38.97 1gnl n PHE 344 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1gnl h SER 345 N 3.43 0.91 -0.25 4.37 0.02 -1.97 -1.73 113.55 118.32 1gnl h SER 345 Ca 0.00 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.86 1gnl h SER 345 Cb 1.19 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1gnl h SER 345 CO 0.17 0.57 -0.27 0.00 -1.14 0.00 0.00 176.83 176.16 1gnl h ALA 346 N 1.43 0.37 -0.50 3.77 0.00 -2.00 -0.91 119.26 121.42 1gnl h ALA 346 Ca 0.40 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1gnl h ALA 346 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1gnl h ALA 346 CO -0.18 0.36 0.10 0.97 0.00 0.00 0.00 179.25 180.50 1gnl h ILE 347 N 0.33 1.22 -0.35 0.00 2.10 -1.84 -1.18 117.51 117.79 1gnl h ILE 347 Ca 0.04 -0.82 -0.04 0.00 1.08 0.00 0.00 64.86 65.11 1gnl h ILE 347 Cb 0.83 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.28 1gnl h ILE 347 CO 0.07 0.30 0.05 0.40 -1.08 0.00 0.00 178.15 177.88 1gnl h ILE 348 N 0.74 1.24 -0.83 2.19 2.04 -1.16 -0.23 117.51 121.51 1gnl h ILE 348 Ca 0.16 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1gnl h ILE 348 Cb 0.31 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1gnl h ILE 348 CO 0.00 0.29 0.54 0.00 0.00 0.00 0.00 178.15 178.98 1gnl h ALA 349 N 0.89 1.05 -0.39 1.87 0.00 -0.87 -1.98 119.26 119.83 1gnl h ALA 349 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gnl h ALA 349 Cb 0.37 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1gnl h ALA 349 CO 0.01 0.47 0.23 1.25 0.00 0.00 0.00 179.25 181.21 1gnl h HIS 350 N 1.12 0.52 -0.85 0.00 -0.00 -1.00 -2.83 115.15 112.11 1gnl h HIS 350 Ca 0.30 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.73 1gnl h HIS 350 Cb -0.11 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.07 1gnl h HIS 350 CO -0.01 0.38 0.55 0.00 -0.00 0.00 0.00 177.93 178.85 1gnl h ALA 351 N 1.10 1.56 0.00 5.26 0.00 -0.33 -1.04 119.26 125.81 1gnl h ALA 351 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gnl h ALA 351 Cb 0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1gnl h ALA 351 CO -0.03 0.32 -0.01 0.87 0.00 0.00 0.00 179.25 180.40 1gnl h LYS 352 N 0.95 0.00 -0.01 0.00 1.57 -1.14 -1.30 116.57 116.64 1gnl h LYS 352 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1gnl h LYS 352 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1gnl h LYS 352 CO -0.13 0.01 -0.15 0.25 -0.57 0.00 0.00 179.45 178.86 1gnl n THR 353 N -3.60 0.00 -3.85 -0.16 -2.24 -0.40 -4.94 114.28 99.09 1gnl n THR 353 Ca -0.03 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 1gnl n THR 353 Cb 0.09 0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1gnl n THR 353 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gnl s PRO 355 N -3.59 2.22 0.90 0.00 0.02 -1.26 -4.58 135.00 128.71 1gnl s PRO 355 Ca 0.36 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 1gnl s PRO 355 Cb -0.10 -1.88 0.13 0.00 0.02 0.00 0.00 34.50 32.67 1gnl s PRO 355 CO 0.29 -1.68 1.12 0.00 -0.33 0.00 0.00 177.00 176.40 1gnl s ALA 356 N -2.69 1.49 0.54 -1.55 0.00 -1.26 -4.15 121.76 114.14 1gnl s ALA 356 Ca 0.64 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1gnl s ALA 356 Cb -0.19 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1gnl s ALA 356 CO 0.52 -2.57 1.29 -2.14 0.00 0.00 0.00 175.76 172.86 1gnl s PRO 357 N -4.72 3.24 -0.11 0.00 0.02 -1.23 -4.77 135.00 127.43 1gnl s PRO 357 Ca 0.65 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 63.44 1gnl s PRO 357 Cb -0.21 -2.23 -0.01 0.00 0.02 0.00 0.00 34.50 32.06 1gnl s PRO 357 CO 0.58 -1.06 1.05 0.99 -0.33 0.00 0.00 177.00 178.24 1gnl s THR 358 N -1.40 4.66 0.12 0.99 2.01 -0.66 -4.94 115.64 116.41 1gnl s THR 358 Ca 0.71 1.94 -0.31 0.00 0.31 0.00 0.00 61.69 64.34 1gnl s THR 358 Cb -0.36 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 67.83 1gnl s THR 358 CO 0.42 -0.02 1.31 -0.70 -0.69 0.00 0.00 174.62 174.94 1gnl s GLU 359 N 2.20 4.38 -0.00 4.92 2.12 -1.26 -4.76 118.70 126.30 1gnl s GLU 359 Ca 0.50 1.97 0.02 0.00 0.36 0.00 0.00 54.97 57.82 1gnl s GLU 359 Cb -0.19 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1gnl s GLU 359 CO 0.17 -0.33 0.07 0.44 -0.54 0.00 0.00 175.26 175.07 1gnl n ILE 360 N 3.61 0.00 -3.82 -3.70 -5.35 -1.26 -5.06 119.36 103.78 1gnl n ILE 360 Ca 0.09 -0.19 -0.09 0.00 -0.27 0.00 0.00 62.75 62.29 1gnl n ILE 360 Cb 0.44 0.64 -0.06 0.00 -1.74 0.00 0.00 39.64 38.92 1gnl n ILE 360 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1gnl s GLU 361 N -1.83 1.06 0.07 6.28 2.02 -1.26 -5.12 118.70 119.92 1gnl s GLU 361 Ca -0.00 -0.95 -0.03 0.00 0.02 0.00 0.00 54.97 54.01 1gnl s GLU 361 Cb 0.02 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.62 1gnl s GLU 361 CO 0.10 -0.39 0.04 -1.54 0.02 0.00 0.00 175.26 173.48 1gnl s SER 362 N -2.88 0.38 0.00 -0.19 1.04 -1.26 -3.64 113.70 107.14 1gnl s SER 362 Ca 0.09 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1gnl s SER 362 Cb 0.03 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1gnl s SER 362 CO -0.07 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1gnl n GLY 363 N 0.05 0.27 3.21 7.32 0.00 -1.26 -4.82 105.19 109.95 1gnl n GLY 363 Ca -0.13 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 1gnl n GLY 363 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gnl s GLU 364 N 0.00 0.84 -0.08 1.61 -1.05 -1.26 -1.80 118.70 116.96 1gnl s GLU 364 Ca 0.00 -0.95 0.04 0.00 -0.15 0.00 0.00 54.97 53.91 1gnl s GLU 364 Cb 0.00 0.34 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1gnl s GLU 364 CO 0.00 -0.27 -0.21 0.42 0.95 0.00 0.00 175.26 176.15 1gnl s ILE 365 N -3.85 2.35 -0.13 1.83 1.01 -0.08 -4.92 121.20 117.41 1gnl s ILE 365 Ca 0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 1gnl s ILE 365 Cb 0.05 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1gnl s ILE 365 CO -0.11 0.56 0.10 -0.51 0.00 0.00 0.00 174.94 174.98 1gnl s ILE 366 N 0.01 5.12 0.00 2.92 2.07 -1.26 -0.23 121.20 129.82 1gnl s ILE 366 Ca -0.07 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1gnl s ILE 366 Cb -0.15 -3.23 0.00 0.00 0.13 0.00 0.00 42.46 39.21 1gnl s ILE 366 CO 0.05 0.58 0.00 0.61 -1.91 0.00 0.00 174.94 174.27 1gnl n GLY 367 N 2.35 1.90 0.00 1.50 0.00 -0.62 -4.62 105.19 105.69 1gnl n GLY 367 Ca -0.19 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1gnl n GLY 367 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnl n GLY 368 N 0.00 1.35 2.44 -0.02 0.00 -0.37 -0.66 105.19 107.93 1gnl n GLY 368 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1gnl n GLY 368 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gnl n PHE 369 N -1.37 2.24 -1.58 1.61 3.72 -0.44 -3.43 117.46 118.21 1gnl n PHE 369 Ca 0.00 -2.59 -0.17 0.00 -0.05 0.00 0.00 57.45 54.65 1gnl n PHE 369 Cb 0.00 -1.78 0.12 0.00 -0.94 0.00 0.00 39.48 36.87 1gnl n PHE 369 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1gnl n ALA 370 N 1.73 -0.83 -0.16 4.37 0.00 -1.26 -3.97 120.51 120.39 1gnl n ALA 370 Ca 0.60 -1.01 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1gnl n ALA 370 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1gnl n ALA 370 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1gnl h HIS 371 N -1.40 0.71 -0.57 0.00 2.07 -1.91 -1.30 115.15 112.76 1gnl h HIS 371 Ca -0.25 -0.06 -0.02 0.00 -2.85 0.00 0.00 60.37 57.20 1gnl h HIS 371 Cb 0.68 -0.21 -0.03 0.00 2.57 0.00 0.00 27.41 30.43 1gnl h HIS 371 CO 0.00 0.62 0.29 -0.97 -3.07 0.00 0.00 177.93 174.80 1gnl h ASN 372 N 0.60 0.74 -0.46 3.10 -0.73 -1.94 -0.84 115.58 116.05 1gnl h ASN 372 Ca 0.15 -0.12 -0.12 0.00 1.87 0.00 0.00 56.30 58.08 1gnl h ASN 372 Cb 0.23 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 1gnl h ASN 372 CO -0.01 0.65 -0.18 -0.61 -0.37 0.00 0.00 177.43 176.91 1gnl h GLN 373 N 0.78 0.96 -0.42 6.67 5.75 -1.65 -0.98 115.11 126.22 1gnl h GLN 373 Ca 0.20 -0.38 -0.15 0.00 -0.15 0.00 0.00 58.65 58.16 1gnl h GLN 373 Cb 0.09 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1gnl h GLN 373 CO -0.03 1.05 -0.34 0.28 -2.65 0.00 0.00 178.83 177.14 1gnl h VAL 374 N 0.84 1.27 -0.25 2.39 2.07 -1.07 -2.54 116.25 118.95 1gnl h VAL 374 Ca 0.12 -1.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.09 1gnl h VAL 374 Cb 0.73 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1gnl h VAL 374 CO 0.06 0.51 -0.03 -0.07 0.02 0.00 0.00 177.57 178.06 1gnl h LEU 375 N 0.80 0.36 -1.85 2.57 4.07 -0.96 -0.80 115.31 119.50 1gnl h LEU 375 Ca 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1gnl h LEU 375 Cb 0.93 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 1gnl h LEU 375 CO 0.09 0.44 -0.00 0.00 -1.08 0.00 0.00 178.44 177.89 1gnl h ALA 376 N 1.61 1.00 -0.53 1.53 0.00 -0.81 -2.06 119.26 119.99 1gnl h ALA 376 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1gnl h ALA 376 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1gnl h ALA 376 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1gnl n LEU 377 N -3.10 4.35 -0.12 0.00 4.77 -0.35 -4.73 117.00 117.83 1gnl n LEU 377 Ca -0.00 -2.49 0.07 0.00 -0.03 0.00 0.00 56.01 53.56 1gnl n LEU 377 Cb 0.25 -0.52 0.40 0.00 -2.33 0.00 0.00 43.42 41.21 1gnl n LEU 377 CO 0.25 0.77 1.20 0.00 -1.33 0.00 0.00 177.39 178.28 1gnl h ALA 378 N 3.36 1.76 -0.81 -1.18 0.00 -0.89 -1.08 119.26 120.42 1gnl h ALA 378 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1gnl h ALA 378 Cb 1.35 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1gnl h ALA 378 CO 0.20 0.16 0.34 0.38 0.00 0.00 0.00 179.25 180.33 1gnl h ASP 379 N 0.65 1.10 -0.34 0.00 2.03 -1.85 0.10 116.42 118.11 1gnl h ASP 379 Ca 0.26 -0.16 -0.10 0.00 -0.73 0.00 0.00 57.03 56.30 1gnl h ASP 379 Cb 0.21 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.42 1gnl h ASP 379 CO -0.08 0.96 -0.16 0.11 -1.03 0.00 0.00 179.24 179.05 1gnl h LYS 380 N 1.17 0.71 -0.08 4.15 1.79 -1.60 -1.15 116.57 121.56 1gnl h LYS 380 Ca 0.27 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1gnl h LYS 380 Cb 0.19 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1gnl h LYS 380 CO -0.03 0.91 -0.02 0.28 -1.08 0.00 0.00 179.45 179.51 1gnl h VAL 381 N 0.49 1.29 -0.50 0.50 2.07 -1.10 -2.04 116.25 116.97 1gnl h VAL 381 Ca 0.08 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1gnl h VAL 381 Cb 0.69 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1gnl h VAL 381 CO 0.05 0.26 0.28 0.40 0.02 0.00 0.00 177.57 178.58 1gnl h ILE 382 N -0.18 1.17 -0.74 4.57 2.04 -0.82 -1.42 117.51 122.12 1gnl h ILE 382 Ca 0.02 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1gnl h ILE 382 Cb 0.43 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1gnl h ILE 382 CO 0.01 0.17 0.45 0.44 0.00 0.00 0.00 178.15 179.22 1gnl h ASP 383 N 0.66 0.69 -0.35 1.72 3.32 -1.17 0.58 116.42 121.87 1gnl h ASP 383 Ca 0.18 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1gnl h ASP 383 Cb 0.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1gnl h ASP 383 CO -0.03 0.46 -0.09 0.00 -1.72 0.00 0.00 179.24 177.86 1gnl h ALA 384 N 1.36 1.01 -0.19 3.45 0.00 -0.84 -0.67 119.26 123.37 1gnl h ALA 384 Ca 0.32 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1gnl h ALA 384 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1gnl h ALA 384 CO -0.16 0.60 -0.24 0.28 0.00 0.00 0.00 179.25 179.72 1gnl h VAL 385 N 0.71 1.34 -0.51 0.00 2.07 -0.82 -0.47 116.25 118.58 1gnl h VAL 385 Ca 0.12 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 1gnl h VAL 385 Cb 0.56 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1gnl h VAL 385 CO 0.03 0.44 0.15 0.11 0.02 0.00 0.00 177.57 178.32 1gnl h LYS 386 N 0.17 0.75 0.00 1.57 1.57 -0.69 -2.56 116.57 117.37 1gnl h LYS 386 Ca 0.02 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1gnl h LYS 386 Cb 0.81 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1gnl h LYS 386 CO 0.06 0.66 -0.07 -1.13 -0.57 0.00 0.00 179.45 178.39 1gnl n SER 387 N -4.31 0.78 0.00 0.86 3.41 -0.28 -4.92 113.62 109.17 1gnl n SER 387 Ca 0.04 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1gnl n SER 387 Cb 0.20 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1gnl n SER 387 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gnl n GLY 388 N 1.32 0.81 0.34 5.00 0.00 -0.97 -4.94 105.19 106.75 1gnl n GLY 388 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 1gnl n GLY 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl h ALA 389 N 0.00 1.56 -3.18 4.61 0.00 -1.40 -3.34 119.26 117.51 1gnl h ALA 389 Ca 0.00 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 54.19 1gnl h ALA 389 Cb 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 17.79 17.24 1gnl h ALA 389 CO 0.00 0.40 -0.68 0.42 0.00 0.00 0.00 179.25 179.39 1gnl s ILE 390 N -5.74 3.39 -0.10 0.00 1.01 -0.50 -4.60 121.20 114.65 1gnl s ILE 390 Ca -0.10 -0.92 0.16 0.00 0.00 0.00 0.00 60.65 59.78 1gnl s ILE 390 Cb 0.18 -2.76 -0.21 0.00 0.01 0.00 0.00 42.46 39.67 1gnl s ILE 390 CO 0.77 0.10 0.56 0.29 0.00 0.00 0.00 174.94 176.66 1gnl n LYS 391 N 4.75 0.64 -3.68 2.79 4.76 0.86 -4.33 118.16 123.96 1gnl n LYS 391 Ca -0.15 0.18 -0.15 0.00 -2.87 0.00 0.00 58.31 55.32 1gnl n LYS 391 Cb 0.47 -1.72 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 1gnl n LYS 391 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1gnl s LYS 392 N -2.72 0.76 -0.05 1.97 2.47 -1.23 -4.85 119.74 116.08 1gnl s LYS 392 Ca -0.06 0.15 -0.02 0.00 -1.56 0.00 0.00 55.97 54.48 1gnl s LYS 392 Cb 0.08 0.35 -0.04 0.00 -1.46 0.00 0.00 37.83 36.76 1gnl s LYS 392 CO 0.83 -0.20 0.06 -0.06 0.16 0.00 0.00 175.35 176.14 1gnl s PHE 393 N -0.91 3.28 -0.23 4.03 0.08 -0.21 -1.66 117.98 122.36 1gnl s PHE 393 Ca -0.10 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.21 1gnl s PHE 393 Cb -0.03 -1.78 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1gnl s PHE 393 CO 0.05 0.55 -0.08 0.08 -0.10 0.00 0.00 175.22 175.72 1gnl s VAL 394 N -1.07 1.69 -0.37 -0.44 1.01 0.37 -1.19 120.40 120.40 1gnl s VAL 394 Ca 0.19 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 1gnl s VAL 394 Cb -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1gnl s VAL 394 CO 0.09 -0.00 1.21 -0.69 0.00 0.00 0.00 175.10 175.70 1gnl s VAL 395 N 1.34 4.23 -0.16 2.92 1.01 0.39 -0.80 120.40 129.33 1gnl s VAL 395 Ca -0.05 1.35 0.17 0.00 0.00 0.00 0.00 61.98 63.45 1gnl s VAL 395 Cb -0.18 -4.36 0.37 0.00 0.00 0.00 0.00 36.38 32.21 1gnl s VAL 395 CO -0.07 -0.66 1.23 0.23 0.00 0.00 0.00 175.10 175.83 1gnl n MET 396 N 7.44 1.67 -0.66 2.72 2.81 -0.10 -0.53 117.12 130.46 1gnl n MET 396 Ca 0.13 -2.77 -0.29 0.00 -1.81 0.00 0.00 57.70 52.96 1gnl n MET 396 Cb 0.48 -1.60 0.21 0.00 -0.71 0.00 0.00 33.22 31.59 1gnl n MET 396 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gnl s ALA 397 N -2.95 0.40 0.00 3.04 0.00 -1.23 -4.51 121.76 116.51 1gnl s ALA 397 Ca 0.36 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1gnl s ALA 397 Cb 0.31 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1gnl s ALA 397 CO 0.02 -3.33 0.00 0.41 0.00 0.00 0.00 175.76 172.87 1gnl n GLY 398 N 0.40 0.62 3.12 0.00 0.00 -0.09 -2.46 105.19 106.79 1gnl n GLY 398 Ca 0.06 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 1gnl n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl s ASP 400 N 0.22 4.22 0.11 0.00 2.15 -1.26 -3.53 116.67 118.58 1gnl s ASP 400 Ca -0.08 0.51 -0.07 0.00 0.43 0.00 0.00 52.55 53.33 1gnl s ASP 400 Cb -0.13 -0.92 0.03 0.00 -0.30 0.00 0.00 42.92 41.59 1gnl s ASP 400 CO 0.04 -2.04 0.37 0.61 -0.17 0.00 0.00 175.17 173.98 1gnl n GLY 401 N -3.31 1.28 0.13 2.66 0.00 -1.26 -4.70 105.19 99.98 1gnl n GLY 401 Ca 0.10 -1.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.06 1gnl n GLY 401 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gnl h ARG 402 N 0.00 0.00 -6.43 1.61 3.08 -1.99 -3.47 114.38 107.17 1gnl h ARG 402 Ca -0.12 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.32 1gnl h ARG 402 Cb 0.49 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.60 1gnl h ARG 402 CO 0.16 0.64 0.73 0.00 -1.07 0.00 0.00 179.97 180.43 1gnl n ALA 403 N -2.32 0.75 0.29 0.04 0.00 -1.26 -4.83 120.51 113.17 1gnl n ALA 403 Ca 0.00 0.45 0.16 0.00 0.00 0.00 0.00 53.44 54.05 1gnl n ALA 403 Cb 0.71 -2.29 0.86 0.00 0.00 0.00 0.00 19.45 18.73 1gnl n ALA 403 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1gnl h LYS 404 N 5.77 0.00 -0.01 0.00 2.10 -2.05 -0.96 116.57 121.42 1gnl h LYS 404 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1gnl h LYS 404 Cb 1.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1gnl h LYS 404 CO 0.87 0.06 0.04 0.66 -2.00 0.00 0.00 179.45 179.07 1gnl h SER 405 N 0.00 0.00 0.32 7.07 4.64 -1.99 -2.34 113.55 121.25 1gnl h SER 405 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gnl h SER 405 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1gnl h SER 405 CO 0.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.51 1gnl n ARG 406 N -3.17 0.16 0.11 4.77 1.74 -0.37 -1.65 116.66 118.25 1gnl n ARG 406 Ca -0.03 0.17 0.20 0.00 -0.77 0.00 0.00 57.85 57.42 1gnl n ARG 406 Cb 0.11 -1.50 0.76 0.00 -1.02 0.00 0.00 32.46 30.81 1gnl n ARG 406 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1gnl h SER 407 N 0.00 0.00 -0.83 0.55 4.64 -1.64 -1.02 113.55 115.25 1gnl h SER 407 Ca 0.00 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.53 1gnl h SER 407 Cb 0.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.11 1gnl h SER 407 CO 0.00 0.00 0.13 0.22 -0.87 0.00 0.00 176.83 176.31 1gnl h TYR 408 N 0.00 0.17 -0.25 4.77 5.03 -1.57 -1.00 116.97 124.11 1gnl h TYR 408 Ca 0.18 0.05 -0.12 0.00 2.58 0.00 0.00 58.73 61.42 1gnl h TYR 408 Cb 0.97 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.29 1gnl h TYR 408 CO 0.00 -0.23 -0.33 1.88 -1.32 0.00 0.00 178.16 178.16 1gnl h TYR 409 N 0.16 0.62 -0.15 -3.82 0.05 -1.43 0.19 116.97 112.59 1gnl h TYR 409 Ca 0.49 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 59.10 1gnl h TYR 409 Cb 0.94 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 1gnl h TYR 409 CO -0.34 0.80 0.03 1.15 -1.05 0.00 0.00 178.16 178.75 1gnl h THR 410 N 0.46 1.21 -0.49 -2.88 2.02 -1.48 -1.53 112.91 110.23 1gnl h THR 410 Ca 0.05 -0.68 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1gnl h THR 410 Cb 0.80 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1gnl h THR 410 CO 0.07 0.20 -0.11 0.44 0.37 0.00 0.00 175.52 176.49 1gnl h ASP 411 N 0.04 0.90 -0.23 4.18 3.32 -0.98 -1.16 116.42 122.49 1gnl h ASP 411 Ca 0.05 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1gnl h ASP 411 Cb 0.29 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1gnl h ASP 411 CO 0.00 1.02 0.11 0.15 -1.72 0.00 0.00 179.24 178.80 1gnl h PHE 412 N 0.81 0.33 -0.38 4.55 3.04 -0.60 -0.68 116.94 124.00 1gnl h PHE 412 Ca 0.13 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.10 1gnl h PHE 412 Cb 0.63 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1gnl h PHE 412 CO 0.04 0.33 0.18 0.00 -2.02 0.00 0.00 178.31 176.84 1gnl h ALA 413 N 0.97 0.47 0.00 2.41 0.00 -1.04 -2.09 119.26 119.98 1gnl h ALA 413 Ca 0.08 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1gnl h ALA 413 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1gnl h ALA 413 CO -0.01 -0.19 -0.29 0.93 0.00 0.00 0.00 179.25 179.69 1gnl h GLU 414 N 0.37 0.00 -0.00 0.00 5.08 -1.07 -2.99 114.58 115.97 1gnl h GLU 414 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1gnl h GLU 414 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1gnl h GLU 414 CO -0.13 0.29 -0.31 0.41 -1.00 0.00 0.00 179.01 178.27 1gnl n GLY 415 N -0.34 -1.23 3.75 -3.84 0.00 -0.28 -4.93 105.19 98.33 1gnl n GLY 415 Ca -0.01 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1gnl n GLY 415 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gnl s LEU 416 N -2.91 3.86 0.68 0.99 1.43 -0.83 -4.96 118.68 116.95 1gnl s LEU 416 Ca 0.15 2.69 -0.17 0.00 -1.03 0.00 0.00 54.13 55.77 1gnl s LEU 416 Cb 0.18 -4.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.11 1gnl s LEU 416 CO 0.62 -1.50 1.05 -2.65 0.23 0.00 0.00 176.35 174.10 1gnl n PRO 417 N -1.00 0.71 0.12 1.29 -0.02 -1.26 -4.88 135.00 129.95 1gnl n PRO 417 Ca 0.10 0.30 0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1gnl n PRO 417 Cb 0.46 -2.29 0.47 0.00 -0.02 0.00 0.00 33.50 32.11 1gnl n PRO 417 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gnl n LYS 418 N -1.77 0.15 -1.18 -0.52 4.76 -1.26 -2.30 118.16 116.05 1gnl n LYS 418 Ca 0.14 0.46 -0.21 0.00 -2.87 0.00 0.00 58.31 55.83 1gnl n LYS 418 Cb 0.49 -1.83 0.19 0.00 -1.84 0.00 0.00 35.03 32.03 1gnl n LYS 418 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1gnl n ASP 419 N -2.12 3.66 -4.37 4.39 5.68 -1.26 -4.93 116.55 117.60 1gnl n ASP 419 Ca 0.01 -3.61 -0.25 0.00 -0.50 0.00 0.00 54.79 50.44 1gnl n ASP 419 Cb 0.16 -0.81 -0.12 0.00 -1.14 0.00 0.00 41.12 39.21 1gnl n ASP 419 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1gnl s THR 420 N -3.28 2.09 -0.06 2.12 -4.23 -0.97 -0.10 115.64 111.22 1gnl s THR 420 Ca 0.56 -1.91 0.04 0.00 -1.18 0.00 0.00 61.69 59.20 1gnl s THR 420 Cb 0.47 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.36 1gnl s THR 420 CO 0.10 -0.16 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.14 1gnl s VAL 421 N -1.68 1.61 -0.09 2.29 1.01 -0.67 -4.88 120.40 117.99 1gnl s VAL 421 Ca 0.17 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 1gnl s VAL 421 Cb -0.08 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1gnl s VAL 421 CO 0.08 0.46 0.53 -0.63 0.00 0.00 0.00 175.10 175.53 1gnl s ILE 422 N 0.11 5.13 -0.18 2.22 1.01 0.68 -0.48 121.20 129.69 1gnl s ILE 422 Ca -0.07 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.59 1gnl s ILE 422 Cb -0.13 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1gnl s ILE 422 CO 0.04 0.33 0.02 -0.76 0.00 0.00 0.00 174.94 174.56 1gnl s LEU 423 N 0.53 3.51 0.17 2.97 1.43 0.02 -0.56 118.68 126.76 1gnl s LEU 423 Ca 0.29 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1gnl s LEU 423 Cb -0.16 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1gnl s LEU 423 CO 0.12 0.15 0.07 0.28 0.23 0.00 0.00 176.35 177.20 1gnl s THR 424 N 0.52 0.23 -0.24 5.49 -1.32 -0.28 -0.92 115.64 119.11 1gnl s THR 424 Ca 0.00 -1.95 -0.28 0.00 -1.21 0.00 0.00 61.69 58.25 1gnl s THR 424 Cb -0.13 -2.22 0.15 0.00 -1.51 0.00 0.00 72.50 68.79 1gnl s THR 424 CO 0.02 -0.32 1.17 0.00 -2.21 0.00 0.00 174.62 173.28 1gnl s ALA 425 N -3.97 -2.04 0.00 11.08 0.00 -1.26 -0.79 121.76 124.78 1gnl s ALA 425 Ca 0.29 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1gnl s ALA 425 Cb 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1gnl s ALA 425 CO 0.06 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1gnl n GLY 426 N 1.20 -1.23 0.00 0.00 0.00 -0.37 -0.91 105.19 103.88 1gnl n GLY 426 Ca -0.08 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.40 1gnl n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnl h ALA 428 N 2.50 2.64 -0.62 0.00 0.00 -1.49 -1.95 119.26 120.34 1gnl h ALA 428 Ca 0.00 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.06 1gnl h ALA 428 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1gnl h ALA 428 CO 0.00 -0.99 0.49 1.57 0.00 0.00 0.00 179.25 180.33 1gnl h LYS 429 N 0.00 0.00 0.00 0.00 2.10 -1.62 -2.55 116.57 114.51 1gnl h LYS 429 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1gnl h LYS 429 Cb 1.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.88 1gnl h LYS 429 CO -0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1gnl n TYR 430 N -4.12 0.73 0.52 0.07 4.01 -0.73 -0.99 117.16 116.64 1gnl n TYR 430 Ca 0.12 0.29 0.12 0.00 -0.16 0.00 0.00 57.90 58.27 1gnl n TYR 430 Cb 0.74 -0.97 0.45 0.00 -0.31 0.00 0.00 39.34 39.25 1gnl n TYR 430 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1gnl n ARG 431 N -2.17 0.17 -0.13 -0.72 5.12 -0.96 -4.27 116.66 113.71 1gnl n ARG 431 Ca 0.02 0.31 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 1gnl n ARG 431 Cb 0.21 -1.77 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 1gnl n ARG 431 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 1gnl n TYR 432 N -2.09 0.00 1.15 -1.55 0.18 -0.51 -4.00 117.16 110.34 1gnl n TYR 432 Ca 0.04 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.93 1gnl n TYR 432 Cb 0.28 0.09 0.37 0.00 -0.38 0.00 0.00 39.34 39.70 1gnl n TYR 432 CO 0.00 0.00 0.00 0.27 -2.08 0.00 0.00 176.86 175.05 1gnl n ASN 433 N 0.00 1.93 -1.68 9.48 6.94 -0.17 -3.96 115.26 127.80 1gnl n ASN 433 Ca 0.00 -1.72 -0.08 0.00 -0.02 0.00 0.00 54.58 52.75 1gnl n ASN 433 Cb 0.52 -0.10 0.08 0.00 -2.36 0.00 0.00 39.78 37.92 1gnl n ASN 433 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1gnl n LYS 434 N 0.49 2.32 -1.65 -3.83 5.02 -1.26 -4.87 118.16 114.38 1gnl n LYS 434 Ca 0.17 -3.57 -0.05 0.00 -2.02 0.00 0.00 58.31 52.84 1gnl n LYS 434 Cb 0.38 -1.73 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1gnl n LYS 434 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1gnl n LEU 435 N -0.68 0.00 -3.26 -0.35 4.77 -1.25 -5.08 117.00 111.15 1gnl n LEU 435 Ca 0.26 -0.56 -0.26 0.00 -0.03 0.00 0.00 56.01 55.43 1gnl n LEU 435 Cb 0.88 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.85 1gnl n LEU 435 CO 0.17 -0.45 0.05 0.59 -1.33 0.00 0.00 177.39 176.42 1gnl n ASN 436 N -2.49 3.51 0.05 -1.43 3.02 -1.26 -4.85 115.26 111.81 1gnl n ASN 436 Ca 0.02 -3.43 0.12 0.00 -0.03 0.00 0.00 54.58 51.26 1gnl n ASN 436 Cb 0.13 -0.64 0.12 0.00 -0.61 0.00 0.00 39.78 38.78 1gnl n ASN 436 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gnl n LEU 437 N 0.57 0.68 0.00 3.41 4.77 -1.26 -5.05 117.00 120.12 1gnl n LEU 437 Ca 0.29 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1gnl n LEU 437 Cb 0.43 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1gnl n LEU 437 CO 0.36 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1gnl n GLY 438 N 1.33 -0.34 3.17 -0.72 0.00 -1.26 -4.77 105.19 102.60 1gnl n GLY 438 Ca 0.03 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 1gnl n GLY 438 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gnl s ASP 439 N -4.00 0.30 -0.35 1.61 1.47 -1.26 -1.50 116.67 112.94 1gnl s ASP 439 Ca 0.00 -1.04 0.01 0.00 1.18 0.00 0.00 52.55 52.70 1gnl s ASP 439 Cb 0.00 0.30 0.09 0.00 -0.34 0.00 0.00 42.92 42.97 1gnl s ASP 439 CO 0.00 -0.72 0.08 -0.63 0.68 0.00 0.00 175.17 174.58 1gnl s ILE 440 N -3.98 2.69 -1.46 2.11 1.01 0.51 -4.70 121.20 117.38 1gnl s ILE 440 Ca 0.16 -2.08 -0.06 0.00 0.00 0.00 0.00 60.65 58.68 1gnl s ILE 440 Cb 0.07 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.71 1gnl s ILE 440 CO -0.03 -0.52 0.52 0.61 0.00 0.00 0.00 174.94 175.51 1gnl n GLY 441 N 4.43 -0.51 0.20 6.18 0.00 -1.26 -1.49 105.19 112.73 1gnl n GLY 441 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1gnl n GLY 441 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gnl n GLY 442 N -1.36 2.65 3.60 -0.02 0.00 -1.26 -5.04 105.19 103.77 1gnl n GLY 442 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1gnl n GLY 442 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gnl s ILE 443 N -2.69 4.72 0.53 -0.61 1.01 -0.56 -5.01 121.20 118.60 1gnl s ILE 443 Ca 0.00 1.12 -0.22 0.00 0.00 0.00 0.00 60.65 61.55 1gnl s ILE 443 Cb 0.00 -4.21 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1gnl s ILE 443 CO 0.00 -0.37 1.22 -2.65 0.00 0.00 0.00 174.94 173.14 1gnl n PRO 444 N 6.41 1.51 0.00 2.79 -0.02 -1.26 -0.36 135.00 144.06 1gnl n PRO 444 Ca 0.04 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1gnl n PRO 444 Cb 0.48 -2.39 0.57 0.00 -0.02 0.00 0.00 33.50 32.13 1gnl n PRO 444 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gnl n ARG 445 N -0.72 0.12 -3.99 -0.52 1.74 -0.56 -4.40 116.66 108.33 1gnl n ARG 445 Ca 0.10 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.96 1gnl n ARG 445 Cb 0.44 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.21 1gnl n ARG 445 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gnl s VAL 446 N -2.85 1.45 -0.35 1.55 1.01 -1.26 -0.23 120.40 119.71 1gnl s VAL 446 Ca 0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1gnl s VAL 446 Cb 0.16 -1.39 0.07 0.00 0.00 0.00 0.00 36.38 35.22 1gnl s VAL 446 CO 0.43 0.41 0.10 -0.76 0.00 0.00 0.00 175.10 175.28 1gnl s LEU 447 N 1.53 4.47 -0.45 3.92 1.43 0.28 -4.95 118.68 124.91 1gnl s LEU 447 Ca 0.04 -1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 51.47 1gnl s LEU 447 Cb -0.13 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1gnl s LEU 447 CO -0.10 -0.37 0.61 -0.62 0.23 0.00 0.00 176.35 176.10 1gnl s ASP 448 N 1.50 6.28 0.31 2.29 2.15 -1.26 -1.12 116.67 126.83 1gnl s ASP 448 Ca 0.00 -0.49 0.25 0.00 0.43 0.00 0.00 52.55 52.73 1gnl s ASP 448 Cb -0.21 -2.30 0.58 0.00 -0.30 0.00 0.00 42.92 40.69 1gnl s ASP 448 CO -0.01 -0.77 1.68 0.00 -0.17 0.00 0.00 175.17 175.90 1gnl h ALA 449 N 8.88 0.99 0.00 3.66 0.00 -1.09 -0.62 119.26 131.08 1gnl h ALA 449 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1gnl h ALA 449 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1gnl h ALA 449 CO 0.89 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1gnl n GLY 450 N 1.21 0.46 3.91 0.00 0.00 -1.26 -4.19 105.19 105.33 1gnl n GLY 450 Ca 0.05 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1gnl n GLY 450 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gnl s GLN 451 N -0.58 1.57 0.35 1.61 -0.21 -1.26 -1.24 119.66 119.89 1gnl s GLN 451 Ca 0.00 -0.06 0.08 0.00 0.02 0.00 0.00 55.36 55.40 1gnl s GLN 451 Cb 0.00 -1.92 0.77 0.00 1.00 0.00 0.00 33.01 32.86 1gnl s GLN 451 CO 0.00 -1.84 1.88 0.00 -2.12 0.00 0.00 175.29 173.22 1gnl h ASN 453 N 0.74 0.00 0.00 0.00 -1.07 -1.94 -0.69 115.58 112.62 1gnl h ASN 453 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.80 1gnl h ASN 453 Cb 0.61 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1gnl h ASN 453 CO -0.19 0.03 0.00 0.47 0.07 0.00 0.00 177.43 177.81 1gnl n ASP 454 N -3.90 0.00 0.15 6.14 8.00 0.11 -1.65 116.55 125.40 1gnl n ASP 454 Ca -0.03 -1.16 0.18 0.00 0.71 0.00 0.00 54.79 54.50 1gnl n ASP 454 Cb 0.11 0.00 0.79 0.00 -0.02 0.00 0.00 41.12 42.00 1gnl n ASP 454 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1gnl h SER 455 N 0.00 0.00 -0.48 -2.24 0.02 -1.17 -1.05 113.55 108.63 1gnl h SER 455 Ca 0.00 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1gnl h SER 455 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1gnl h SER 455 CO 0.00 0.00 0.17 0.22 -1.14 0.00 0.00 176.83 176.08 1gnl h TYR 456 N 0.00 0.30 -0.88 3.45 3.20 -1.55 -1.40 116.97 120.08 1gnl h TYR 456 Ca 0.13 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.09 1gnl h TYR 456 Cb 0.70 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 1gnl h TYR 456 CO 0.00 0.10 0.58 0.77 -1.64 0.00 0.00 178.16 177.96 1gnl h SER 457 N 0.34 0.88 -0.69 -2.11 0.02 -1.43 -0.10 113.55 110.47 1gnl h SER 457 Ca 0.23 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1gnl h SER 457 Cb 0.24 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1gnl h SER 457 CO -0.24 0.57 0.17 -0.07 -1.14 0.00 0.00 176.83 176.12 1gnl h LEU 458 N 1.00 1.05 -0.50 5.07 3.38 -1.23 0.32 115.31 124.40 1gnl h LEU 458 Ca 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1gnl h LEU 458 Cb 0.20 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1gnl h LEU 458 CO -0.14 1.01 0.10 0.00 0.09 0.00 0.00 178.44 179.50 1gnl h ALA 459 N 1.08 0.67 -0.60 1.53 0.00 -0.55 -0.93 119.26 120.45 1gnl h ALA 459 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gnl h ALA 459 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1gnl h ALA 459 CO 0.00 0.38 0.39 0.28 0.00 0.00 0.00 179.25 180.30 1gnl h VAL 460 N 0.70 1.13 -0.30 0.00 2.07 -0.70 -0.10 116.25 119.06 1gnl h VAL 460 Ca 0.16 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1gnl h VAL 460 Cb 0.36 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1gnl h VAL 460 CO 0.01 0.14 0.14 0.40 0.02 0.00 0.00 177.57 178.28 1gnl h ILE 461 N 0.79 1.17 -0.45 4.57 2.04 -0.76 -0.28 117.51 124.58 1gnl h ILE 461 Ca 0.23 -0.49 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1gnl h ILE 461 Cb -0.06 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1gnl h ILE 461 CO -0.06 0.17 0.30 0.00 0.00 0.00 0.00 178.15 178.56 1gnl h ALA 462 N 0.99 0.58 -0.30 1.87 0.00 -0.87 -0.19 119.26 121.34 1gnl h ALA 462 Ca 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1gnl h ALA 462 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1gnl h ALA 462 CO -0.01 0.02 -0.08 -0.07 0.00 0.00 0.00 179.25 179.11 1gnl h LEU 463 N 0.61 0.46 -0.31 0.00 3.38 -0.80 -0.27 115.31 118.38 1gnl h LEU 463 Ca 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1gnl h LEU 463 Cb -0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1gnl h LEU 463 CO -0.04 0.59 -0.00 0.50 0.09 0.00 0.00 178.44 179.58 1gnl h LYS 464 N 0.45 0.56 -0.49 1.13 1.63 -0.53 -2.52 116.57 116.80 1gnl h LYS 464 Ca 0.09 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 1gnl h LYS 464 Cb 0.43 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 1gnl h LYS 464 CO 0.02 0.69 0.11 -0.07 -3.45 0.00 0.00 179.45 176.76 1gnl h LEU 465 N 0.35 0.70 -0.61 5.20 3.38 -0.50 0.25 115.31 124.08 1gnl h LEU 465 Ca 0.09 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1gnl h LEU 465 Cb 0.44 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1gnl h LEU 465 CO 0.02 0.70 0.31 0.50 0.09 0.00 0.00 178.44 180.06 1gnl h LYS 466 N 0.72 0.56 0.04 1.13 3.64 -0.87 -1.00 116.57 120.79 1gnl h LYS 466 Ca 0.16 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1gnl h LYS 466 Cb 0.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1gnl h LYS 466 CO -0.00 0.37 -0.02 1.49 -2.27 0.00 0.00 179.45 179.02 1gnl h GLU 467 N 0.58 -0.05 -0.66 1.90 4.22 -0.90 -0.27 114.58 119.39 1gnl h GLU 467 Ca 0.28 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.81 1gnl h GLU 467 Cb 0.22 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 1gnl h GLU 467 CO -0.20 0.19 0.32 0.28 -2.18 0.00 0.00 179.01 177.42 1gnl h VAL 468 N -0.30 0.87 -0.12 0.32 2.07 -0.71 -1.38 116.25 117.01 1gnl h VAL 468 Ca -0.01 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1gnl h VAL 468 Cb 0.27 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1gnl h VAL 468 CO 0.01 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.19 1gnl n PHE 469 N -4.87 0.15 -3.55 1.57 3.72 -0.40 -4.93 117.46 109.14 1gnl n PHE 469 Ca 0.09 -0.07 -0.22 0.00 -0.05 0.00 0.00 57.45 57.19 1gnl n PHE 469 Cb 0.24 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.86 1gnl n PHE 469 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gnl n GLY 470 N 1.09 -0.50 3.89 1.37 0.00 -0.52 -4.99 105.19 105.54 1gnl n GLY 470 Ca 0.17 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 1gnl n GLY 470 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gnl s LEU 471 N -7.06 4.27 0.16 0.99 1.43 -0.18 -5.00 118.68 113.29 1gnl s LEU 471 Ca 0.48 0.64 0.24 0.00 -1.03 0.00 0.00 54.13 54.46 1gnl s LEU 471 Cb -0.21 -3.30 0.28 0.00 0.03 0.00 0.00 46.19 42.98 1gnl s LEU 471 CO 0.72 0.06 1.29 1.05 0.23 0.00 0.00 176.35 179.69 1gnl h GLU 472 N 2.91 0.00 -3.62 1.70 4.11 -1.94 -3.44 114.58 114.29 1gnl h GLU 472 Ca -0.46 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.59 1gnl h GLU 472 Cb 1.17 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.06 1gnl h GLU 472 CO 0.72 0.00 -0.75 0.34 0.07 0.00 0.00 179.01 179.39 1gnl s ASP 473 N -4.64 0.86 0.56 3.06 -1.08 -1.26 -5.02 116.67 109.14 1gnl s ASP 473 Ca 0.05 -0.02 0.25 0.00 -0.52 0.00 0.00 52.55 52.31 1gnl s ASP 473 Cb 0.12 -0.26 1.49 0.00 -1.46 0.00 0.00 42.92 42.82 1gnl s ASP 473 CO 0.73 -0.16 2.08 1.62 0.52 0.00 0.00 175.17 179.97 1gnl h VAL 474 N 6.30 0.67 0.00 1.11 3.04 -1.94 -1.04 116.25 124.40 1gnl h VAL 474 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1gnl h VAL 474 Cb 1.13 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1gnl h VAL 474 CO 0.35 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.50 1gnl n ASN 475 N -4.14 0.42 -0.04 3.17 4.13 -1.26 -2.38 115.26 115.15 1gnl n ASN 475 Ca 0.03 0.61 0.14 0.00 1.68 0.00 0.00 54.58 57.04 1gnl n ASN 475 Cb 0.35 -0.70 0.66 0.00 -1.54 0.00 0.00 39.78 38.56 1gnl n ASN 475 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1gnl n ASP 476 N -1.97 0.19 -4.79 6.41 8.00 -0.39 -4.84 116.55 119.16 1gnl n ASP 476 Ca 0.02 -0.20 -0.33 0.00 0.71 0.00 0.00 54.79 54.99 1gnl n ASP 476 Cb 0.19 -0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1gnl n ASP 476 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1gnl s LEU 477 N -2.63 3.51 -1.48 0.64 1.43 -1.00 -4.92 118.68 114.22 1gnl s LEU 477 Ca 0.25 1.94 -0.13 0.00 -1.03 0.00 0.00 54.13 55.17 1gnl s LEU 477 Cb 0.20 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.89 1gnl s LEU 477 CO 0.49 -1.33 2.36 -0.81 0.23 0.00 0.00 176.35 177.29 1gnl n PRO 478 N -2.02 3.09 -4.55 1.29 -0.04 -1.26 -4.86 135.00 126.65 1gnl n PRO 478 Ca 0.10 -2.58 -0.22 0.00 -0.04 0.00 0.00 63.50 60.75 1gnl n PRO 478 Cb 0.52 -3.16 -0.16 0.00 -0.04 0.00 0.00 33.50 30.66 1gnl n PRO 478 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1gnl s ILE 479 N 2.78 1.01 -0.03 0.52 1.01 -1.26 -1.05 121.20 124.18 1gnl s ILE 479 Ca 0.51 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.73 1gnl s ILE 479 Cb 0.15 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 1gnl s ILE 479 CO -0.08 0.30 -0.19 -0.69 0.00 0.00 0.00 174.94 174.28 1gnl s VAL 480 N 0.14 2.62 -0.32 2.92 1.01 -0.33 -4.98 120.40 121.45 1gnl s VAL 480 Ca -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1gnl s VAL 480 Cb -0.10 -1.98 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1gnl s VAL 480 CO 0.01 0.58 0.06 -0.31 0.00 0.00 0.00 175.10 175.44 1gnl s TYR 481 N -0.68 3.26 -0.62 5.22 1.51 -1.26 -0.46 117.35 124.31 1gnl s TYR 481 Ca 0.11 -1.63 0.05 0.00 -1.01 0.00 0.00 57.07 54.58 1gnl s TYR 481 Cb -0.10 -2.20 0.18 0.00 -0.11 0.00 0.00 41.96 39.72 1gnl s TYR 481 CO -0.00 -0.76 0.47 -1.71 -1.11 0.00 0.00 175.55 172.44 1gnl n ASN 482 N 4.72 2.06 -4.89 2.29 5.15 0.31 -1.12 115.26 123.78 1gnl n ASN 482 Ca -0.13 -2.99 -0.34 0.00 -0.60 0.00 0.00 54.58 50.52 1gnl n ASN 482 Cb 0.44 -0.70 -0.05 0.00 -0.53 0.00 0.00 39.78 38.94 1gnl n ASN 482 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1gnl s ILE 483 N -1.12 5.45 -0.11 -1.44 -4.36 -0.18 -4.14 121.20 115.30 1gnl s ILE 483 Ca 0.28 -0.05 -0.06 0.00 -0.26 0.00 0.00 60.65 60.57 1gnl s ILE 483 Cb -0.00 -3.49 -0.04 0.00 1.25 0.00 0.00 42.46 40.18 1gnl s ILE 483 CO -0.17 0.42 0.10 0.00 0.24 0.00 0.00 174.94 175.53 1gnl s ALA 484 N -1.23 3.71 0.20 2.27 0.00 -1.03 -1.82 121.76 123.86 1gnl s ALA 484 Ca 0.23 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1gnl s ALA 484 Cb -0.12 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1gnl s ALA 484 CO 0.14 0.60 -0.17 1.67 0.00 0.00 0.00 175.76 178.00 1gnl s TRP 485 N -0.94 1.83 0.27 0.00 1.48 -0.38 -1.12 118.94 120.07 1gnl s TRP 485 Ca 0.14 -0.50 0.00 0.00 -1.06 0.00 0.00 56.10 54.68 1gnl s TRP 485 Cb -0.12 -0.87 0.00 0.00 -1.16 0.00 0.00 33.47 31.33 1gnl s TRP 485 CO 0.03 0.39 0.00 0.98 -4.06 0.00 0.00 176.95 174.30 1gnl n TYR 486 N -0.14 -2.28 -2.86 1.66 9.36 -1.24 -4.63 117.16 117.03 1gnl n TYR 486 Ca -0.10 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1gnl n TYR 486 Cb 0.59 0.52 0.00 0.00 -0.63 0.00 0.00 39.34 39.82 1gnl n TYR 486 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1gnl n GLU 487 N -3.50 3.49 0.16 2.98 -0.00 -1.26 -0.92 120.64 121.59 1gnl n GLU 487 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.20 1gnl n GLU 487 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 31.44 31.58 1gnl n GLU 487 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1gnl h GLN 488 N 0.00 0.00 -0.58 3.44 7.50 -1.87 -2.60 115.11 121.00 1gnl h GLN 488 Ca 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 1gnl h GLN 488 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.50 1gnl h GLN 488 CO 0.00 0.46 0.26 0.87 -1.50 0.00 0.00 178.83 178.92 1gnl h LYS 489 N 0.00 0.85 -0.59 1.46 1.57 -1.86 -1.59 116.57 116.41 1gnl h LYS 489 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1gnl h LYS 489 Cb 1.21 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1gnl h LYS 489 CO 0.06 0.70 0.34 0.00 -0.57 0.00 0.00 179.45 179.98 1gnl h ALA 490 N 1.10 1.50 -0.32 3.86 0.00 -1.88 -1.63 119.26 121.88 1gnl h ALA 490 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1gnl h ALA 490 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gnl h ALA 490 CO -0.02 0.43 0.16 0.28 0.00 0.00 0.00 179.25 180.09 1gnl h VAL 491 N 0.81 1.16 -0.20 0.00 2.07 -1.07 -1.18 116.25 117.83 1gnl h VAL 491 Ca 0.21 -0.44 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1gnl h VAL 491 Cb -0.01 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1gnl h VAL 491 CO -0.04 0.16 -0.21 -0.29 0.02 0.00 0.00 177.57 177.21 1gnl h ILE 492 N 0.38 1.24 -0.37 4.57 6.09 -0.80 -0.98 117.51 127.64 1gnl h ILE 492 Ca 0.11 -1.10 -0.00 0.00 -1.37 0.00 0.00 64.86 62.49 1gnl h ILE 492 Cb 0.11 1.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 1gnl h ILE 492 CO -0.01 0.34 0.22 0.58 -3.07 0.00 0.00 178.15 176.21 1gnl h VAL 493 N 0.33 1.13 -0.05 2.19 2.07 -1.00 0.71 116.25 121.61 1gnl h VAL 493 Ca 0.05 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1gnl h VAL 493 Cb 0.56 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1gnl h VAL 493 CO 0.04 0.13 -0.05 0.25 0.02 0.00 0.00 177.57 177.95 1gnl h LEU 494 N 0.48 -0.17 -1.21 2.57 5.85 -0.77 -0.96 115.31 121.10 1gnl h LEU 494 Ca 0.13 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1gnl h LEU 494 Cb 0.02 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1gnl h LEU 494 CO -0.02 -0.08 0.28 -0.07 -0.34 0.00 0.00 178.44 178.21 1gnl h LEU 495 N -0.07 0.75 -0.13 2.25 3.38 -0.96 -1.06 115.31 119.47 1gnl h LEU 495 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gnl h LEU 495 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1gnl h LEU 495 CO -0.10 0.64 0.08 0.00 0.09 0.00 0.00 178.44 179.15 1gnl h ALA 496 N 1.48 0.16 -0.84 1.53 0.00 -0.49 -0.16 119.26 120.95 1gnl h ALA 496 Ca 0.21 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1gnl h ALA 496 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gnl h ALA 496 CO -0.03 -0.34 0.42 -0.07 0.00 0.00 0.00 179.25 179.24 1gnl h LEU 497 N 0.16 1.08 -0.75 0.00 3.38 -0.68 -1.56 115.31 116.94 1gnl h LEU 497 Ca 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1gnl h LEU 497 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1gnl h LEU 497 CO -0.01 0.90 0.39 -0.07 0.09 0.00 0.00 178.44 179.73 1gnl h LEU 498 N 1.18 0.96 -1.56 1.67 3.38 -0.91 -1.93 115.31 118.10 1gnl h LEU 498 Ca 0.29 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1gnl h LEU 498 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1gnl h LEU 498 CO -0.04 0.80 -0.23 0.77 0.09 0.00 0.00 178.44 179.83 1gnl h SER 499 N 1.04 0.00 0.26 -0.43 4.64 -0.46 -0.21 113.55 118.40 1gnl h SER 499 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1gnl h SER 499 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1gnl h SER 499 CO -0.04 0.23 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 1gnl n LEU 500 N -4.19 0.00 0.00 5.97 4.77 -0.64 -4.91 117.00 118.01 1gnl n LEU 500 Ca -0.02 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1gnl n LEU 500 Cb 0.29 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1gnl n LEU 500 CO 0.36 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1gnl n GLY 501 N 0.96 0.66 3.69 -0.72 0.00 -0.09 -4.99 105.19 104.71 1gnl n GLY 501 Ca 0.18 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1gnl n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gnl s VAL 502 N -2.00 3.94 0.34 1.61 1.01 -0.78 -4.85 120.40 119.67 1gnl s VAL 502 Ca 0.00 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.35 1gnl s VAL 502 Cb 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 1gnl s VAL 502 CO 0.00 -0.00 0.26 -0.54 0.00 0.00 0.00 175.10 174.81 1gnl s LYS 503 N 2.34 2.62 -1.72 2.72 -0.14 -1.26 -4.56 119.74 119.74 1gnl s LYS 503 Ca 0.60 -1.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 1gnl s LYS 503 Cb -0.29 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 1gnl s LYS 503 CO 0.24 0.08 0.00 0.09 -0.76 0.00 0.00 175.35 175.01 1gnl n ASN 504 N -1.32 -5.46 -4.74 2.83 3.02 -0.44 -4.95 115.26 104.20 1gnl n ASN 504 Ca -0.02 0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1gnl n ASN 504 Cb 0.60 -4.54 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 1gnl n ASN 504 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gnl s ILE 505 N -2.90 2.88 -0.25 2.41 1.01 -1.26 -4.68 121.20 118.40 1gnl s ILE 505 Ca 0.00 0.73 -0.09 0.00 0.00 0.00 0.00 60.65 61.29 1gnl s ILE 505 Cb 0.00 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1gnl s ILE 505 CO 0.00 0.11 0.11 -1.00 0.00 0.00 0.00 174.94 174.16 1gnl s HIS 506 N 0.09 3.15 -0.08 3.97 3.76 -0.28 -1.46 115.29 124.44 1gnl s HIS 506 Ca 0.59 -0.18 0.05 0.00 -0.15 0.00 0.00 55.06 55.37 1gnl s HIS 506 Cb -0.40 -2.28 -0.00 0.00 1.11 0.00 0.00 32.58 31.01 1gnl s HIS 506 CO 0.41 -0.24 -0.24 -1.17 -0.85 0.00 0.00 174.74 172.64 1gnl s LEU 507 N 1.56 2.07 0.00 0.89 2.96 0.24 -1.01 118.68 125.40 1gnl s LEU 507 Ca 0.06 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1gnl s LEU 507 Cb -0.15 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.18 1gnl s LEU 507 CO 0.06 0.19 0.47 0.61 -1.32 0.00 0.00 176.35 176.36 1gnl n GLY 508 N 3.31 1.59 0.00 7.98 0.00 -0.76 -3.90 105.19 113.42 1gnl n GLY 508 Ca -0.18 -1.25 0.14 0.00 0.00 0.00 0.00 46.02 44.72 1gnl n GLY 508 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gnl n PRO 509 N -0.35 0.31 -4.23 1.61 -0.04 -1.26 -1.25 135.00 129.77 1gnl n PRO 509 Ca -0.04 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 1gnl n PRO 509 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 1gnl n PRO 509 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1gnl s THR 510 N -2.67 0.41 0.15 0.52 -4.23 -1.26 -4.74 115.64 103.82 1gnl s THR 510 Ca 0.23 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1gnl s THR 510 Cb 0.19 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.68 1gnl s THR 510 CO 0.44 -0.29 0.47 -0.76 -0.54 0.00 0.00 174.62 173.94 1gnl s LEU 511 N -3.18 4.28 0.31 4.79 1.43 -1.26 -4.95 118.68 120.10 1gnl s LEU 511 Ca 0.30 0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 1gnl s LEU 511 Cb 0.07 -3.29 -0.13 0.00 0.03 0.00 0.00 46.19 42.87 1gnl s LEU 511 CO 0.07 0.07 1.27 -2.65 0.23 0.00 0.00 176.35 175.34 1gnl n PRO 512 N 0.44 1.96 0.27 1.29 -0.02 -1.26 -4.87 135.00 132.81 1gnl n PRO 512 Ca -0.04 0.69 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 1gnl n PRO 512 Cb 0.52 -2.25 0.77 0.00 -0.02 0.00 0.00 33.50 32.52 1gnl n PRO 512 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gnl h ALA 513 N 2.86 1.21 -0.06 3.55 0.00 -1.81 -3.05 119.26 121.96 1gnl h ALA 513 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1gnl h ALA 513 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1gnl h ALA 513 CO 0.65 0.12 0.00 1.97 0.00 0.00 0.00 179.25 181.99 1gnl n PHE 514 N -3.50 0.08 -3.11 0.00 1.16 -1.26 -4.70 117.46 106.13 1gnl n PHE 514 Ca -0.02 -0.04 -0.42 0.00 -1.87 0.00 0.00 57.45 55.10 1gnl n PHE 514 Cb 0.23 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.04 1gnl n PHE 514 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1gnl s LEU 515 N -1.60 4.31 0.87 5.98 1.43 -1.15 -4.53 118.68 123.98 1gnl s LEU 515 Ca 0.30 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 1gnl s LEU 515 Cb 0.15 -2.77 0.12 0.00 0.03 0.00 0.00 46.19 43.71 1gnl s LEU 515 CO 0.24 -0.64 1.09 -0.94 0.23 0.00 0.00 176.35 176.34 1gnl s SER 516 N 1.84 3.61 0.22 2.29 1.04 -1.26 -4.69 113.70 116.75 1gnl s SER 516 Ca 0.24 1.69 -0.08 0.00 0.48 0.00 0.00 55.95 58.28 1gnl s SER 516 Cb -0.14 -2.34 0.34 0.00 0.10 0.00 0.00 66.02 63.98 1gnl s SER 516 CO 0.16 -2.58 1.71 -0.65 0.98 0.00 0.00 173.24 172.85 1gnl h PRO 517 N -1.51 0.28 -0.23 4.02 0.11 -1.97 0.70 132.00 133.41 1gnl h PRO 517 Ca -0.47 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 1gnl h PRO 517 Cb 1.27 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1gnl h PRO 517 CO 0.52 0.19 -0.48 -0.91 -0.21 0.00 0.00 178.00 177.11 1gnl h ASN 518 N 0.29 0.65 -0.24 -2.05 2.35 -1.98 -2.10 115.58 112.50 1gnl h ASN 518 Ca 0.35 -0.32 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1gnl h ASN 518 Cb 0.53 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1gnl h ASN 518 CO -0.42 1.02 -0.30 0.58 -1.65 0.00 0.00 177.43 176.66 1gnl h VAL 519 N 0.48 1.32 -0.72 2.81 2.07 -1.75 -1.82 116.25 118.63 1gnl h VAL 519 Ca 0.03 -1.49 0.05 0.00 0.82 0.00 0.00 66.70 66.10 1gnl h VAL 519 Cb 1.01 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 1gnl h VAL 519 CO 0.09 0.47 0.43 0.00 0.02 0.00 0.00 177.57 178.58 1gnl h ALA 520 N 0.65 0.96 -0.77 1.67 0.00 -0.89 -1.68 119.26 119.21 1gnl h ALA 520 Ca 0.03 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gnl h ALA 520 Cb 0.88 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1gnl h ALA 520 CO 0.07 0.16 0.50 -0.22 0.00 0.00 0.00 179.25 179.77 1gnl h LYS 521 N 0.81 0.98 -0.60 0.00 3.64 -1.18 -0.77 116.57 119.46 1gnl h LYS 521 Ca 0.31 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1gnl h LYS 521 Cb 0.11 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1gnl h LYS 521 CO -0.15 0.65 0.36 0.28 -2.27 0.00 0.00 179.45 178.32 1gnl h VAL 522 N 1.01 1.18 -0.45 2.00 2.07 -0.75 0.17 116.25 121.48 1gnl h VAL 522 Ca 0.29 -0.41 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 1gnl h VAL 522 Cb -0.08 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1gnl h VAL 522 CO -0.08 0.19 -0.05 -0.07 0.02 0.00 0.00 177.57 177.58 1gnl h LEU 523 N 0.82 0.76 -0.30 2.57 3.38 -0.80 0.05 115.31 121.78 1gnl h LEU 523 Ca 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gnl h LEU 523 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1gnl h LEU 523 CO -0.04 0.86 -0.01 0.58 0.09 0.00 0.00 178.44 179.91 1gnl h VAL 524 N 0.72 1.26 -0.72 1.22 2.07 -0.83 0.26 116.25 120.24 1gnl h VAL 524 Ca 0.13 -0.98 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1gnl h VAL 524 Cb 0.51 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1gnl h VAL 524 CO 0.03 0.31 0.38 -0.33 0.02 0.00 0.00 177.57 177.99 1gnl h GLU 525 N 0.33 1.00 0.00 1.57 5.08 -0.62 0.79 114.58 122.74 1gnl h GLU 525 Ca 0.08 -0.12 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1gnl h GLU 525 Cb 0.46 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1gnl h GLU 525 CO 0.02 0.76 -1.33 1.96 -1.00 0.00 0.00 179.01 179.41 1gnl h GLN 526 N 0.99 0.00 0.00 2.33 4.20 -0.97 -3.41 115.11 118.25 1gnl h GLN 526 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1gnl h GLN 526 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1gnl h GLN 526 CO -0.04 0.59 0.00 1.19 -0.67 0.00 0.00 178.83 179.90 1gnl n PHE 527 N -3.12 0.00 -4.00 2.96 3.72 0.07 -5.03 117.46 112.06 1gnl n PHE 527 Ca -0.09 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 1gnl n PHE 527 Cb 0.95 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.49 1gnl n PHE 527 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1gnl n ASN 528 N -0.27 -3.79 -4.77 4.37 5.15 0.27 -1.33 115.26 114.88 1gnl n ASN 528 Ca 0.00 -0.87 -0.35 0.00 -0.60 0.00 0.00 54.58 52.76 1gnl n ASN 528 Cb 0.06 -3.49 0.00 0.00 -0.53 0.00 0.00 39.78 35.82 1gnl n ASN 528 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1gnl s ILE 529 N -3.37 3.11 0.30 -1.44 -4.36 -1.25 -3.56 121.20 110.63 1gnl s ILE 529 Ca 0.60 0.69 -0.12 0.00 -0.26 0.00 0.00 60.65 61.56 1gnl s ILE 529 Cb -0.31 -3.28 0.01 0.00 1.25 0.00 0.00 42.46 40.13 1gnl s ILE 529 CO 0.86 -0.15 0.56 -0.83 0.24 0.00 0.00 174.94 175.63 1gnl s GLY 530 N -1.75 0.65 0.21 6.27 0.00 -0.54 -4.67 107.32 107.49 1gnl s GLY 530 Ca 0.73 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1gnl s GLY 530 CO 0.28 -0.59 0.27 0.61 0.00 0.00 0.00 173.10 173.66 1gnl n GLY 531 N -0.46 2.12 3.98 0.20 0.00 -1.26 -0.59 105.19 109.17 1gnl n GLY 531 Ca -0.03 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.62 1gnl n GLY 531 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gnl s ILE 532 N -0.42 4.85 0.00 -0.61 -4.36 -1.25 -4.70 121.20 114.70 1gnl s ILE 532 Ca 0.20 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1gnl s ILE 532 Cb -0.02 -3.70 0.00 0.00 1.25 0.00 0.00 42.46 39.99 1gnl s ILE 532 CO 0.13 -0.27 0.00 0.35 0.24 0.00 0.00 174.94 175.39 1gnl n THR 533 N -1.49 0.00 -4.02 8.37 -2.24 -1.26 -5.04 114.28 108.60 1gnl n THR 533 Ca -0.06 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.48 1gnl n THR 533 Cb 0.57 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1gnl n THR 533 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gnl s SER 534 N 1.00 5.99 0.20 3.42 1.04 -1.26 -4.98 113.70 119.11 1gnl s SER 534 Ca 0.00 -0.00 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 1gnl s SER 534 Cb 0.00 -1.69 0.25 0.00 0.10 0.00 0.00 66.02 64.67 1gnl s SER 534 CO 0.00 0.01 1.77 -0.65 0.98 0.00 0.00 173.24 175.35 1gnl h PRO 535 N 1.84 0.50 -0.13 4.02 0.11 -1.95 -1.23 132.00 135.15 1gnl h PRO 535 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gnl h PRO 535 Cb 1.21 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1gnl h PRO 535 CO 0.64 0.33 0.08 0.37 -0.21 0.00 0.00 178.00 179.21 1gnl h GLN 536 N 0.51 0.17 -0.49 1.05 4.15 -1.95 -0.17 115.11 118.38 1gnl h GLN 536 Ca 0.29 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.57 1gnl h GLN 536 Cb 0.28 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1gnl h GLN 536 CO -0.24 0.12 -0.19 -0.44 -1.93 0.00 0.00 178.83 176.14 1gnl h ASP 537 N 0.17 1.02 0.48 -0.69 3.32 -1.92 -2.95 116.42 115.85 1gnl h ASP 537 Ca 0.05 -0.38 -0.16 0.00 0.02 0.00 0.00 57.03 56.56 1gnl h ASP 537 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1gnl h ASP 537 CO -0.01 1.17 -0.71 0.44 -1.72 0.00 0.00 179.24 178.41 1gnl h ASP 538 N 0.86 0.23 0.11 6.45 3.32 -1.12 0.12 116.42 126.40 1gnl h ASP 538 Ca 0.12 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1gnl h ASP 538 Cb 0.77 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 1gnl h ASP 538 CO 0.06 0.87 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.34 1gnl h LEU 539 N 0.13 0.00 0.00 1.55 3.38 -0.90 0.16 115.31 119.63 1gnl h LEU 539 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1gnl h LEU 539 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1gnl h LEU 539 CO 0.11 0.04 -0.62 0.50 0.09 0.00 0.00 178.44 178.56 1gnl h LYS 540 N 0.00 0.00 -0.73 1.13 3.64 -1.30 -3.39 116.57 115.92 1gnl h LYS 540 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1gnl h LYS 540 Cb 0.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1gnl h LYS 540 CO 0.01 0.44 0.26 0.00 -2.27 0.00 0.00 179.45 177.89 1gnl h ALA 541 N -0.72 1.09 0.00 5.00 0.00 -0.61 -2.73 119.26 121.29 1gnl h ALA 541 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1gnl h ALA 541 Cb 0.75 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1gnl h ALA 541 CO -0.07 0.64 0.00 1.19 0.00 0.00 0.00 179.25 181.01 1gnl n PHE 542 N -4.27 0.88 0.65 0.00 3.72 0.03 -5.07 117.46 113.40 1gnl n PHE 542 Ca 0.06 0.31 0.08 0.00 -0.05 0.00 0.00 57.45 57.85 1gnl n PHE 542 Cb 0.20 -1.01 0.07 0.00 -0.94 0.00 0.00 39.48 37.80 1gnl n PHE 542 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90