#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqw n PRO 14 N 0.00 3.33 -3.65 1.96 -0.02 -1.26 -5.09 135.00 130.27 3gqw n PRO 14 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3gqw n PRO 14 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.42 3gqw n PRO 14 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3gqw s ARG 16 N 0.00 0.13 -1.25 -0.52 1.81 -1.26 -5.11 118.95 112.75 3gqw s ARG 16 Ca 0.00 0.20 -0.07 0.00 -1.72 0.00 0.00 55.73 54.14 3gqw s ARG 16 Cb 0.00 0.04 0.18 0.00 -0.45 0.00 0.00 34.95 34.72 3gqw s ARG 16 CO 0.00 -0.02 1.95 0.66 -0.68 0.00 0.00 175.30 177.20 3gqw n TYR 17 N 2.76 2.73 -2.56 -0.53 4.02 -1.26 -4.42 117.16 117.90 3gqw n TYR 17 Ca -0.15 -2.75 -0.16 0.00 -0.01 0.00 0.00 57.90 54.83 3gqw n TYR 17 Cb 0.57 -1.79 -0.00 0.00 -0.02 0.00 0.00 39.34 38.09 3gqw n TYR 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3gqw n ALA 18 N 2.81 -0.79 0.21 -0.72 0.00 -0.99 -4.34 120.51 116.70 3gqw n ALA 18 Ca 0.44 0.13 0.02 0.00 0.00 0.00 0.00 53.44 54.02 3gqw n ALA 18 Cb 0.33 -1.94 0.11 0.00 0.00 0.00 0.00 19.45 17.95 3gqw n ALA 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gqw n ASP 19 N -1.95 0.00 -4.89 0.00 8.00 -1.26 -4.46 116.55 111.99 3gqw n ASP 19 Ca -0.15 0.09 -0.30 0.00 0.71 0.00 0.00 54.79 55.14 3gqw n ASP 19 Cb 0.62 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 3gqw n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3gqw s PHE 20 N -2.35 3.46 0.13 1.24 0.08 -1.26 -5.01 117.98 114.27 3gqw s PHE 20 Ca 0.05 0.75 0.13 0.00 0.12 0.00 0.00 56.93 57.98 3gqw s PHE 20 Cb 0.03 -2.18 0.27 0.00 -0.57 0.00 0.00 43.02 40.56 3gqw s PHE 20 CO 0.05 0.19 1.54 -1.35 -0.10 0.00 0.00 175.22 175.55 3gqw h PRO 21 N 1.97 0.00 -4.04 0.24 0.11 -1.95 -3.47 132.00 124.87 3gqw h PRO 21 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3gqw h PRO 21 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3gqw h PRO 21 CO 0.67 0.62 -0.49 0.95 -0.21 0.00 0.00 178.00 179.54 3gqw s THR 22 N -3.28 0.15 0.49 -1.15 -4.23 -1.26 -4.31 115.64 102.05 3gqw s THR 22 Ca 0.01 -1.50 0.15 0.00 -1.18 0.00 0.00 61.69 59.16 3gqw s THR 22 Cb 0.11 -1.58 0.25 0.00 1.34 0.00 0.00 72.50 72.62 3gqw s THR 22 CO 0.75 -0.67 2.10 -0.07 -0.54 0.00 0.00 174.62 176.19 3gqw h LEU 23 N 2.85 0.05 -0.24 4.79 3.38 -1.90 -1.63 115.31 122.61 3gqw h LEU 23 Ca -0.34 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3gqw h LEU 23 Cb 1.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3gqw h LEU 23 CO 0.58 0.08 -0.15 0.58 0.09 0.00 0.00 178.44 179.62 3gqw h VAL 24 N 0.06 1.31 -0.90 1.22 2.07 -1.96 -2.09 116.25 115.96 3gqw h VAL 24 Ca 0.02 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.30 3gqw h VAL 24 Cb 0.07 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3gqw h VAL 24 CO 0.00 0.39 0.58 0.44 0.02 0.00 0.00 177.57 179.01 3gqw h ASP 25 N 0.24 0.98 -0.79 0.57 3.32 -1.78 -1.36 116.42 117.61 3gqw h ASP 25 Ca 0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3gqw h ASP 25 Cb 0.68 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.96 3gqw h ASP 25 CO 0.04 0.68 0.37 0.00 -1.72 0.00 0.00 179.24 178.62 3gqw h ALA 26 N 1.36 1.01 -0.10 3.45 0.00 -1.17 -2.72 119.26 121.08 3gqw h ALA 26 Ca 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3gqw h ALA 26 Cb -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3gqw h ALA 26 CO -0.11 0.58 -0.13 1.25 0.00 0.00 0.00 179.25 180.84 3gqw h LEU 27 N 1.11 0.29 -0.83 0.00 5.85 -1.11 -2.08 115.31 118.55 3gqw h LEU 27 Ca 0.27 -0.51 0.18 0.00 0.84 0.00 0.00 57.88 58.66 3gqw h LEU 27 Cb 0.12 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 40.92 3gqw h LEU 27 CO -0.03 0.74 -0.11 0.44 -0.34 0.00 0.00 178.44 179.14 3gqw h ASP 28 N -0.15 -0.60 0.02 1.25 3.32 -1.11 0.26 116.42 119.41 3gqw h ASP 28 Ca 0.01 0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3gqw h ASP 28 Cb 0.67 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3gqw h ASP 28 CO 0.03 -0.26 -0.01 0.22 -1.72 0.00 0.00 179.24 177.50 3gqw h TYR 29 N 0.03 -0.02 -1.01 4.55 3.20 -1.43 -2.81 116.97 119.47 3gqw h TYR 29 Ca 0.43 -0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.55 3gqw h TYR 29 Cb 0.73 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.92 3gqw h TYR 29 CO -0.56 0.26 0.65 0.00 -1.64 0.00 0.00 178.16 176.87 3gqw h ALA 30 N 0.67 2.14 0.00 1.82 0.00 -0.19 0.33 119.26 124.04 3gqw h ALA 30 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gqw h ALA 30 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gqw h ALA 30 CO 0.00 -0.53 0.14 0.00 0.00 0.00 0.00 179.25 178.86 3gqw h ALA 31 N 1.63 1.13 -0.01 0.00 0.00 -0.32 0.87 119.26 122.56 3gqw h ALA 31 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3gqw h ALA 31 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3gqw h ALA 31 CO -0.30 -0.13 -0.25 1.28 0.00 0.00 0.00 179.25 179.85 3gqw n LEU 32 N -2.89 1.37 -4.97 0.00 4.77 0.12 -4.15 117.00 111.25 3gqw n LEU 32 Ca -0.02 -0.42 -0.21 0.00 -0.03 0.00 0.00 56.01 55.32 3gqw n LEU 32 Cb 0.19 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3gqw n LEU 32 CO 0.16 0.25 -0.03 -0.94 -1.33 0.00 0.00 177.39 175.50 3gqw s SER 33 N -2.40 6.31 -0.19 -1.43 1.04 0.30 -4.95 113.70 112.38 3gqw s SER 33 Ca 0.25 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.80 3gqw s SER 33 Cb 0.19 -1.85 0.37 0.00 0.10 0.00 0.00 66.02 64.84 3gqw s SER 33 CO 0.49 -0.09 1.34 -1.54 0.98 0.00 0.00 173.24 174.42 3gqw n SER 34 N -1.43 3.39 -4.95 7.02 3.41 -1.26 -4.49 113.62 115.30 3gqw n SER 34 Ca -0.09 -2.68 -0.23 0.00 -0.26 0.00 0.00 58.87 55.62 3gqw n SER 34 Cb 0.57 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 3gqw n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqw s ALA 35 N -1.75 3.79 0.00 7.33 0.00 -1.26 -4.97 121.76 124.90 3gqw s ALA 35 Ca 0.28 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.18 3gqw s ALA 35 Cb 0.23 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 21.26 3gqw s ALA 35 CO 0.07 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3gqw n GLY 36 N -1.98 0.25 3.47 0.00 0.00 -1.26 -0.81 105.19 104.87 3gqw n GLY 36 Ca -0.00 0.48 0.02 0.00 0.00 0.00 0.00 46.02 46.51 3gqw n GLY 36 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gqw s ASN 38 N 2.00 -0.24 -0.21 1.61 0.01 -0.20 -1.61 114.94 116.30 3gqw s ASN 38 Ca 0.00 0.35 -0.09 0.00 -0.71 0.00 0.00 52.86 52.41 3gqw s ASN 38 Cb 0.00 1.19 -0.05 0.00 0.41 0.00 0.00 41.25 42.80 3gqw s ASN 38 CO 0.00 -0.05 0.12 -0.36 -1.51 0.00 0.00 177.10 175.30 3gqw s PHE 39 N 1.63 3.32 0.07 2.20 0.08 0.05 -0.87 117.98 124.47 3gqw s PHE 39 Ca -0.05 0.19 0.06 0.00 0.12 0.00 0.00 56.93 57.25 3gqw s PHE 39 Cb -0.03 -2.19 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3gqw s PHE 39 CO -0.14 0.14 -0.10 0.71 -0.10 0.00 0.00 175.22 175.72 3gqw s TYR 40 N 0.69 2.75 1.00 0.36 1.51 -0.37 0.12 117.35 123.41 3gqw s TYR 40 Ca 0.06 -0.15 -0.17 0.00 -1.01 0.00 0.00 57.07 55.81 3gqw s TYR 40 Cb -0.13 -1.47 0.22 0.00 -0.11 0.00 0.00 41.96 40.47 3gqw s TYR 40 CO 0.01 0.39 1.32 0.16 -1.11 0.00 0.00 175.55 176.32 3gqw s ASP 41 N -1.94 2.76 0.00 2.29 1.47 -0.91 -4.44 116.67 115.89 3gqw s ASP 41 Ca 0.20 0.25 0.16 0.00 1.18 0.00 0.00 52.55 54.33 3gqw s ASP 41 Cb -0.11 -0.26 0.94 0.00 -0.34 0.00 0.00 42.92 43.15 3gqw s ASP 41 CO 0.11 -2.95 1.59 -2.11 0.68 0.00 0.00 175.17 172.48 3gqw n ARG 42 N -3.91 0.98 0.00 2.11 1.85 -1.26 -1.73 116.66 114.69 3gqw n ARG 42 Ca 0.16 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.08 3gqw n ARG 42 Cb 0.59 -1.25 -0.04 0.00 -1.05 0.00 0.00 32.46 30.71 3gqw n ARG 42 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3gqw n ARG 43 N -0.75 1.85 -2.23 2.89 1.74 -1.26 -4.94 116.66 113.96 3gqw n ARG 43 Ca 0.12 -0.46 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 3gqw n ARG 43 Cb 0.05 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3gqw n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqw s GLN 45 N -4.47 3.25 -0.21 0.00 -1.52 -1.26 -4.92 119.66 110.53 3gqw s GLN 45 Ca 0.00 -0.30 -0.29 0.00 -1.95 0.00 0.00 55.36 52.81 3gqw s GLN 45 Cb 0.00 -2.98 -0.06 0.00 -0.22 0.00 0.00 33.01 29.75 3gqw s GLN 45 CO 0.00 0.68 2.19 -0.11 -0.25 0.00 0.00 175.29 177.81 3gqw n LEU 46 N 2.23 3.21 -0.01 2.90 0.00 -1.26 -2.15 117.00 121.92 3gqw n LEU 46 Ca -0.19 0.30 -0.20 0.00 0.00 0.00 0.00 56.01 55.91 3gqw n LEU 46 Cb 0.54 -1.52 -0.14 0.00 0.00 0.00 0.00 43.42 42.30 3gqw n LEU 46 CO 0.30 -0.61 -0.85 1.21 0.00 0.00 0.00 177.39 177.44 3gqw n GLU 47 N 8.55 0.74 -3.50 1.96 2.13 0.12 -4.93 120.64 125.71 3gqw n GLU 47 Ca 0.30 0.25 -0.12 0.00 0.66 0.00 0.00 57.16 58.26 3gqw n GLU 47 Cb 0.42 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.40 3gqw n GLU 47 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3gqw s ASP 48 N -6.94 -0.46 0.02 4.31 2.15 -0.95 -5.01 116.67 109.80 3gqw s ASP 48 Ca -0.23 -0.06 0.01 0.00 0.43 0.00 0.00 52.55 52.71 3gqw s ASP 48 Cb 0.07 0.55 -0.02 0.00 -0.30 0.00 0.00 42.92 43.22 3gqw s ASP 48 CO 0.76 -0.90 -0.06 -1.58 -0.17 0.00 0.00 175.17 173.22 3gqw s GLN 49 N -3.58 0.42 -0.20 4.34 0.74 -1.26 -0.77 119.66 119.34 3gqw s GLN 49 Ca 0.01 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.85 3gqw s GLN 49 Cb -0.00 -0.22 0.08 0.00 1.10 0.00 0.00 33.01 33.97 3gqw s GLN 49 CO -0.11 0.04 0.15 -1.17 -0.55 0.00 0.00 175.29 173.65 3gqw s LEU 50 N -1.07 0.19 0.19 3.68 2.96 -1.26 -5.03 118.68 118.34 3gqw s LEU 50 Ca -0.07 -0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 53.00 3gqw s LEU 50 Cb -0.07 -0.01 -0.08 0.00 0.50 0.00 0.00 46.19 46.52 3gqw s LEU 50 CO -0.00 -0.36 0.81 -1.61 -1.32 0.00 0.00 176.35 173.87 3gqw s GLU 51 N 2.21 4.59 0.43 1.98 2.02 -1.26 -4.45 118.70 124.21 3gqw s GLU 51 Ca 0.05 1.20 0.17 0.00 0.02 0.00 0.00 54.97 56.41 3gqw s GLU 51 Cb -0.16 -3.21 1.08 0.00 0.10 0.00 0.00 34.13 31.94 3gqw s GLU 51 CO -0.15 0.54 1.89 1.88 0.02 0.00 0.00 175.26 179.43 3gqw h TYR 52 N 4.16 0.49 0.01 1.61 0.05 -1.27 0.75 116.97 122.78 3gqw h TYR 52 Ca -0.47 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.35 3gqw h TYR 52 Cb 1.20 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.76 3gqw h TYR 52 CO 0.63 0.16 -0.17 0.37 -1.05 0.00 0.00 178.16 178.10 3gqw h GLN 53 N 0.40 -0.28 -0.16 4.88 4.15 -1.75 -1.73 115.11 120.60 3gqw h GLN 53 Ca 0.42 0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.74 3gqw h GLN 53 Cb 1.03 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3gqw h GLN 53 CO -0.14 -0.19 -0.39 1.15 -1.93 0.00 0.00 178.83 177.33 3gqw h THR 54 N -0.29 1.30 -0.76 2.39 2.02 -1.15 -2.99 112.91 113.44 3gqw h THR 54 Ca 0.05 -1.51 0.05 0.00 0.77 0.00 0.00 66.41 65.77 3gqw h THR 54 Cb 0.35 1.61 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 3gqw h THR 54 CO -0.16 0.46 0.46 0.25 0.37 0.00 0.00 175.52 176.90 3gqw h LEU 55 N 0.30 0.72 -0.48 2.58 5.85 0.71 -1.71 115.31 123.29 3gqw h LEU 55 Ca 0.03 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3gqw h LEU 55 Cb 0.83 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3gqw h LEU 55 CO 0.07 0.47 0.28 0.50 -0.34 0.00 0.00 178.44 179.42 3gqw h LYS 56 N 0.86 0.54 0.51 1.25 3.64 -1.17 0.41 116.57 122.61 3gqw h LYS 56 Ca 0.32 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 3gqw h LYS 56 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3gqw h LYS 56 CO -0.16 0.36 -0.38 0.00 -2.27 0.00 0.00 179.45 177.00 3gqw h ALA 57 N 1.22 -0.90 -0.83 5.00 0.00 -1.40 -1.44 119.26 120.91 3gqw h ALA 57 Ca 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gqw h ALA 57 Cb 0.04 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3gqw h ALA 57 CO -0.10 -1.03 0.43 0.00 0.00 0.00 0.00 179.25 178.55 3gqw h ARG 58 N -0.87 1.18 -0.63 0.00 3.08 -1.22 -1.19 114.38 114.73 3gqw h ARG 58 Ca -0.06 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 59.86 3gqw h ARG 58 Cb 0.73 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3gqw h ARG 58 CO 0.02 0.88 0.40 0.00 -1.07 0.00 0.00 179.97 180.19 3gqw h ALA 59 N 1.23 0.81 0.04 0.04 0.00 -0.04 0.93 119.26 122.26 3gqw h ALA 59 Ca 0.29 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gqw h ALA 59 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gqw h ALA 59 CO -0.04 0.17 -0.02 0.93 0.00 0.00 0.00 179.25 180.29 3gqw h GLU 60 N 0.79 -0.05 0.11 0.00 5.08 -0.87 0.92 114.58 120.57 3gqw h GLU 60 Ca 0.24 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3gqw h GLU 60 Cb -0.03 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3gqw h GLU 60 CO -0.08 0.29 -0.50 0.00 -1.00 0.00 0.00 179.01 177.72 3gqw h ALA 61 N 0.55 -0.98 -0.90 3.43 0.00 -1.08 -0.84 119.26 119.44 3gqw h ALA 61 Ca -0.01 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.02 3gqw h ALA 61 Cb 0.36 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3gqw h ALA 61 CO 0.01 -1.10 0.61 0.78 0.00 0.00 0.00 179.25 179.55 3gqw h GLY 62 N -0.71 0.68 0.97 0.00 0.00 -0.79 0.12 103.07 103.35 3gqw h GLY 62 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3gqw h GLY 62 CO -0.27 -0.01 0.13 0.00 0.00 0.00 0.00 176.54 176.39 3gqw h ALA 63 N 1.60 0.28 -0.22 3.60 0.00 0.53 -2.37 119.26 122.68 3gqw h ALA 63 Ca 0.46 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 3gqw h ALA 63 Cb 1.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3gqw h ALA 63 CO -0.14 -0.22 -0.42 0.87 0.00 0.00 0.00 179.25 179.34 3gqw h LYS 64 N 0.27 0.53 -0.93 0.00 1.57 0.26 -2.83 116.57 115.43 3gqw h LYS 64 Ca 0.08 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3gqw h LYS 64 Cb 0.02 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 3gqw h LYS 64 CO -0.01 0.85 0.61 0.00 -0.57 0.00 0.00 179.45 180.32 3gqw h ARG 65 N 0.43 1.23 -0.28 3.15 3.08 -1.14 -2.13 114.38 118.72 3gqw h ARG 65 Ca 0.03 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3gqw h ARG 65 Cb 0.91 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3gqw h ARG 65 CO 0.08 0.82 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.64 3gqw h LEU 66 N 1.26 0.44 -0.67 3.04 3.38 -1.27 -2.88 115.31 118.61 3gqw h LEU 66 Ca 0.34 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3gqw h LEU 66 Cb -0.13 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3gqw h LEU 66 CO -0.07 0.57 0.00 -0.07 0.09 0.00 0.00 178.44 178.96 3gqw h LEU 67 N 0.43 0.00 0.00 1.67 3.38 -1.16 -2.56 115.31 117.07 3gqw h LEU 67 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gqw h LEU 67 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3gqw h LEU 67 CO 0.02 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.01 3gqw n SER 68 N -2.74 0.00 -0.40 -0.43 3.41 -1.02 -1.37 113.62 111.06 3gqw n SER 68 Ca 0.03 0.08 0.03 0.00 -0.26 0.00 0.00 58.87 58.74 3gqw n SER 68 Cb 0.36 -0.35 0.08 0.00 -0.26 0.00 0.00 64.21 64.04 3gqw n SER 68 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gqw n LEU 69 N -1.35 1.12 -3.86 1.04 4.77 -0.96 -4.89 117.00 112.87 3gqw n LEU 69 Ca 0.11 -0.56 -0.29 0.00 -0.03 0.00 0.00 56.01 55.24 3gqw n LEU 69 Cb 0.25 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3gqw n LEU 69 CO 0.22 0.25 0.13 -3.20 -1.33 0.00 0.00 177.39 173.46 3gqw n ASN 70 N 0.03 -5.07 -4.82 -1.43 4.05 -0.47 -4.98 115.26 102.56 3gqw n ASN 70 Ca 0.06 -0.74 -0.33 0.00 0.45 0.00 0.00 54.58 54.02 3gqw n ASN 70 Cb 0.20 -4.09 -0.05 0.00 1.23 0.00 0.00 39.78 37.07 3gqw n ASN 70 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3gqw s LEU 71 N -7.29 3.84 0.09 1.20 1.43 -1.24 -5.07 118.68 111.64 3gqw s LEU 71 Ca 0.65 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.55 3gqw s LEU 71 Cb -0.32 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.33 3gqw s LEU 71 CO 0.81 -0.54 -0.14 -0.54 0.23 0.00 0.00 176.35 176.18 3gqw s LYS 72 N -3.38 2.05 0.33 1.70 1.02 -1.26 -4.88 119.74 115.32 3gqw s LYS 72 Ca 0.63 -1.04 -0.26 0.00 0.02 0.00 0.00 55.97 55.32 3gqw s LYS 72 Cb -0.11 -2.24 -0.14 0.00 -0.52 0.00 0.00 37.83 34.82 3gqw s LYS 72 CO 0.19 0.51 0.81 1.17 -0.92 0.00 0.00 175.35 177.12 3gqw n LYS 73 N 0.97 0.95 0.00 1.68 4.81 -1.26 -1.35 118.16 123.96 3gqw n LYS 73 Ca -0.15 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3gqw n LYS 73 Cb 0.52 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.91 3gqw n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gqw n GLY 74 N 1.48 3.04 3.58 3.14 0.00 -0.71 -5.02 105.19 110.70 3gqw n GLY 74 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3gqw n GLY 74 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqw n ASP 75 N 0.20 0.10 -4.47 1.61 8.00 -0.46 -4.44 116.55 117.10 3gqw n ASP 75 Ca 0.00 0.65 -0.32 0.00 0.71 0.00 0.00 54.79 55.83 3gqw n ASP 75 Cb 0.00 -1.36 -0.13 0.00 -0.02 0.00 0.00 41.12 39.61 3gqw n ASP 75 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gqw s ARG 76 N -3.19 2.36 -0.18 -1.24 0.52 -1.26 -0.71 118.95 115.26 3gqw s ARG 76 Ca 0.72 -0.79 -0.01 0.00 -0.52 0.00 0.00 55.73 55.13 3gqw s ARG 76 Cb -0.35 -2.31 0.05 0.00 0.52 0.00 0.00 34.95 32.86 3gqw s ARG 76 CO 0.52 0.59 -0.03 0.08 0.02 0.00 0.00 175.30 176.48 3gqw s VAL 77 N -0.80 1.03 0.36 3.52 1.01 -0.20 -0.25 120.40 125.06 3gqw s VAL 77 Ca 0.13 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 3gqw s VAL 77 Cb -0.11 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 3gqw s VAL 77 CO 0.02 0.02 1.07 0.00 0.00 0.00 0.00 175.10 176.21 3gqw s ALA 78 N 1.65 3.19 -0.05 5.51 0.00 -0.84 -0.99 121.76 130.23 3gqw s ALA 78 Ca -0.01 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.71 3gqw s ALA 78 Cb -0.16 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3gqw s ALA 78 CO -0.07 -0.20 0.02 -0.51 0.00 0.00 0.00 175.76 175.00 3gqw s LEU 79 N -2.24 0.60 -0.11 0.00 1.43 -0.52 -1.45 118.68 116.39 3gqw s LEU 79 Ca 0.53 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.33 3gqw s LEU 79 Cb -0.25 -0.27 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 3gqw s LEU 79 CO 0.32 -0.19 1.76 -0.63 0.23 0.00 0.00 176.35 177.84 3gqw s ILE 80 N 1.77 3.46 -0.94 -0.59 1.09 -0.97 0.15 121.20 125.17 3gqw s ILE 80 Ca 0.01 0.54 -0.07 0.00 -1.10 0.00 0.00 60.65 60.03 3gqw s ILE 80 Cb -0.13 -3.42 -0.06 0.00 -1.06 0.00 0.00 42.46 37.80 3gqw s ILE 80 CO -0.03 -0.12 2.97 0.00 -0.10 0.00 0.00 174.94 177.65 3gqw n ALA 81 N 8.14 6.90 -1.59 9.38 0.00 0.18 -4.86 120.51 138.66 3gqw n ALA 81 Ca 0.20 -3.14 -0.33 0.00 0.00 0.00 0.00 53.44 50.16 3gqw n ALA 81 Cb 0.44 -2.75 0.03 0.00 0.00 0.00 0.00 19.45 17.17 3gqw n ALA 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gqw s GLU 82 N 0.41 2.99 -0.76 0.00 2.02 -1.26 -4.11 118.70 117.99 3gqw s GLU 82 Ca 0.64 1.43 -0.25 0.00 0.02 0.00 0.00 54.97 56.80 3gqw s GLU 82 Cb 0.25 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.55 3gqw s GLU 82 CO -0.08 -1.11 1.24 0.99 0.02 0.00 0.00 175.26 176.32 3gqw s THR 83 N -2.21 3.88 -0.18 3.63 2.01 -1.26 -4.67 115.64 116.84 3gqw s THR 83 Ca 0.68 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.46 3gqw s THR 83 Cb -0.21 -4.89 0.14 0.00 0.01 0.00 0.00 72.50 67.55 3gqw s THR 83 CO 0.37 -1.78 1.08 -0.94 -0.69 0.00 0.00 174.62 172.66 3gqw s SER 84 N 3.87 -0.29 0.20 3.53 1.04 -1.26 -4.99 113.70 115.80 3gqw s SER 84 Ca 0.34 0.30 -0.17 0.00 0.48 0.00 0.00 55.95 56.90 3gqw s SER 84 Cb -0.09 0.24 0.19 0.00 0.10 0.00 0.00 66.02 66.47 3gqw s SER 84 CO 0.11 -0.28 1.60 0.28 0.98 0.00 0.00 173.24 175.92 3gqw h SER 85 N 2.41 -0.92 -0.98 7.02 0.02 -1.97 -1.41 113.55 117.73 3gqw h SER 85 Ca -0.16 0.22 0.16 0.00 -0.84 0.00 0.00 61.79 61.17 3gqw h SER 85 Cb 1.17 0.51 -0.17 0.00 0.14 0.00 0.00 62.40 64.05 3gqw h SER 85 CO 0.29 -0.27 -0.35 -0.62 -1.14 0.00 0.00 176.83 174.74 3gqw n GLU 86 N -5.45 -0.19 -0.03 3.45 1.02 -1.26 0.28 120.64 118.46 3gqw n GLU 86 Ca 0.06 1.52 -0.12 0.00 -0.02 0.00 0.00 57.16 58.59 3gqw n GLU 86 Cb 0.36 -2.25 -0.08 0.00 -0.02 0.00 0.00 31.44 29.44 3gqw n GLU 86 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gqw h PHE 87 N 0.00 0.16 -0.73 -0.32 3.57 -1.57 -1.05 116.94 117.00 3gqw h PHE 87 Ca 0.38 -0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.93 3gqw h PHE 87 Cb 0.62 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 3gqw h PHE 87 CO -0.83 0.48 0.38 0.28 -2.23 0.00 0.00 178.31 176.38 3gqw h VAL 88 N -0.21 0.87 -0.35 1.41 2.07 -0.15 0.16 116.25 120.04 3gqw h VAL 88 Ca 0.02 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3gqw h VAL 88 Cb 0.43 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3gqw h VAL 88 CO 0.01 0.12 -0.03 -0.33 0.02 0.00 0.00 177.57 177.35 3gqw h GLU 89 N 0.65 0.64 -0.17 1.57 5.08 -0.14 -2.81 114.58 119.40 3gqw h GLU 89 Ca 0.36 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 3gqw h GLU 89 Cb 0.35 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3gqw h GLU 89 CO -0.26 0.78 -0.24 0.00 -1.00 0.00 0.00 179.01 178.30 3gqw h ALA 90 N 0.84 1.28 -0.44 3.43 0.00 -0.55 0.70 119.26 124.52 3gqw h ALA 90 Ca 0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3gqw h ALA 90 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gqw h ALA 90 CO 0.02 0.48 -0.11 0.35 0.00 0.00 0.00 179.25 179.99 3gqw h PHE 91 N 0.28 0.96 0.00 0.00 3.04 -0.61 -2.66 116.94 117.95 3gqw h PHE 91 Ca 0.05 -0.21 -0.17 0.00 3.98 0.00 0.00 57.97 61.61 3gqw h PHE 91 Cb 0.57 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 3gqw h PHE 91 CO 0.01 0.96 -0.83 0.74 -2.02 0.00 0.00 178.31 177.17 3gqw h PHE 92 N 0.68 0.00 -0.64 0.41 0.04 -1.25 -2.99 116.94 113.19 3gqw h PHE 92 Ca 0.11 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.00 3gqw h PHE 92 Cb 0.65 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.71 3gqw h PHE 92 CO 0.05 0.83 0.16 0.00 -0.60 0.00 0.00 178.31 178.75 3gqw h ALA 93 N 1.17 0.80 -0.28 2.45 0.00 -0.79 -1.20 119.26 121.41 3gqw h ALA 93 Ca -0.01 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3gqw h ALA 93 Cb 1.62 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 19.52 3gqw h ALA 93 CO 0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 179.25 178.92 3gqw h GLN 95 N -0.11 -0.24 -0.53 0.00 1.08 -1.28 0.12 115.11 114.16 3gqw h GLN 95 Ca 0.15 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.41 3gqw h GLN 95 Cb 0.33 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 3gqw h GLN 95 CO -0.35 -0.15 0.35 1.88 -0.95 0.00 0.00 178.83 179.61 3gqw h TYR 96 N -0.26 0.52 -0.00 2.96 -1.99 -1.14 -1.21 116.97 115.86 3gqw h TYR 96 Ca -0.03 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3gqw h TYR 96 Cb 0.20 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3gqw h TYR 96 CO -0.06 0.29 -0.00 0.00 -0.00 0.00 0.00 178.16 178.39 3gqw n ALA 97 N -2.49 2.67 -1.86 3.88 0.00 -0.43 -4.62 120.51 117.65 3gqw n ALA 97 Ca 0.07 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 3gqw n ALA 97 Cb 0.20 -1.51 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3gqw n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqw n GLY 98 N 1.03 0.51 3.84 0.00 0.00 -0.46 -4.70 105.19 105.41 3gqw n GLY 98 Ca 0.23 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3gqw n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqw s LEU 99 N -3.38 3.97 -0.45 0.99 1.43 0.38 -1.73 118.68 119.90 3gqw s LEU 99 Ca 0.00 -0.01 -0.20 0.00 -1.03 0.00 0.00 54.13 52.89 3gqw s LEU 99 Cb 0.00 -2.58 0.03 0.00 0.03 0.00 0.00 46.19 43.66 3gqw s LEU 99 CO 0.00 0.08 0.62 -0.69 0.23 0.00 0.00 176.35 176.60 3gqw s VAL 100 N -1.68 4.85 0.10 -1.59 1.01 0.11 -4.15 120.40 119.06 3gqw s VAL 100 Ca 0.32 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.99 3gqw s VAL 100 Cb -0.11 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 3gqw s VAL 100 CO 0.25 -0.61 1.16 0.00 0.00 0.00 0.00 175.10 175.90 3gqw s ALA 101 N 2.75 3.38 -0.46 5.51 0.00 -1.03 -1.04 121.76 130.88 3gqw s ALA 101 Ca 0.21 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3gqw s ALA 101 Cb -0.15 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.69 3gqw s ALA 101 CO 0.18 -0.36 0.23 0.08 0.00 0.00 0.00 175.76 175.88 3gqw s VAL 102 N 0.61 1.88 0.34 0.00 1.01 -0.16 -1.29 120.40 122.79 3gqw s VAL 102 Ca 0.55 -2.77 -0.28 0.00 0.00 0.00 0.00 61.98 59.48 3gqw s VAL 102 Cb -0.29 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 3gqw s VAL 102 CO 0.31 -0.83 1.26 -2.84 0.00 0.00 0.00 175.10 173.01 3gqw s PRO 103 N 0.21 4.30 0.07 2.72 0.02 -1.26 -1.44 135.00 139.62 3gqw s PRO 103 Ca 0.17 2.11 0.04 0.00 0.02 0.00 0.00 61.00 63.34 3gqw s PRO 103 Cb -0.24 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 3gqw s PRO 103 CO -0.02 -0.19 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.84 3gqw s LEU 104 N -1.92 2.29 0.44 -5.54 1.43 0.12 -4.66 118.68 110.84 3gqw s LEU 104 Ca 0.50 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 3gqw s LEU 104 Cb -0.38 -0.37 -0.08 0.00 0.03 0.00 0.00 46.19 45.40 3gqw s LEU 104 CO 0.49 -0.15 1.23 0.00 0.23 0.00 0.00 176.35 178.15 3gqw s ALA 105 N -1.48 3.08 0.47 4.21 0.00 -1.26 0.50 121.76 127.28 3gqw s ALA 105 Ca -0.04 1.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 3gqw s ALA 105 Cb -0.09 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 3gqw s ALA 105 CO 0.01 -0.75 1.37 0.42 0.00 0.00 0.00 175.76 176.81 3gqw s ILE 106 N -1.40 2.22 1.06 0.00 1.01 -1.26 -4.73 121.20 118.10 3gqw s ILE 106 Ca 0.61 0.18 -0.14 0.00 0.00 0.00 0.00 60.65 61.30 3gqw s ILE 106 Cb -0.33 -3.10 0.15 0.00 0.01 0.00 0.00 42.46 39.19 3gqw s ILE 106 CO 0.41 0.02 0.60 -2.65 0.00 0.00 0.00 174.94 173.32 3gqw n PRO 107 N -0.41 -1.37 0.00 2.79 -0.02 -1.26 -5.10 135.00 129.63 3gqw n PRO 107 Ca 0.07 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 3gqw n PRO 107 Cb 0.43 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3gqw n PRO 107 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gqw n SER 115 N -3.05 0.00 0.35 2.55 2.88 -1.26 -5.20 113.62 109.88 3gqw n SER 115 Ca 0.05 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.40 3gqw n SER 115 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 3gqw n SER 115 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 3gqw h TRP 116 N 0.00 -1.23 -0.24 0.66 7.01 -2.01 0.22 115.95 120.37 3gqw h TRP 116 Ca 0.00 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.07 3gqw h TRP 116 Cb 0.00 0.45 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 3gqw h TRP 116 CO 0.00 -0.65 0.25 0.77 -2.79 0.00 0.00 178.44 176.02 3gqw h SER 117 N -1.04 0.00 0.67 2.65 0.02 -1.98 0.34 113.55 114.21 3gqw h SER 117 Ca -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3gqw h SER 117 Cb 0.86 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.41 3gqw h SER 117 CO 0.03 0.00 -0.32 0.00 -1.14 0.00 0.00 176.83 175.40 3gqw h ALA 118 N 1.72 -0.99 -0.93 3.77 0.00 -1.71 -3.14 119.26 117.98 3gqw h ALA 118 Ca 0.11 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.04 3gqw h ALA 118 Cb 0.62 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3gqw h ALA 118 CO -0.00 -0.92 0.61 0.87 0.00 0.00 0.00 179.25 179.81 3gqw h LYS 119 N -1.12 0.44 0.00 0.00 1.57 0.17 -0.16 116.57 117.46 3gqw h LYS 119 Ca -0.09 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3gqw h LYS 119 Cb 0.69 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 3gqw h LYS 119 CO 0.15 0.29 -0.07 1.25 -0.57 0.00 0.00 179.45 180.50 3gqw h LEU 120 N 0.45 0.00 0.08 2.94 5.85 -0.43 0.29 115.31 124.49 3gqw h LEU 120 Ca 0.50 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 59.09 3gqw h LEU 120 Cb 1.17 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 3gqw h LEU 120 CO -0.21 0.07 -0.55 1.56 -0.34 0.00 0.00 178.44 178.97 3gqw h GLN 121 N 0.00 0.23 -0.89 1.25 4.20 -0.98 -0.65 115.11 118.28 3gqw h GLN 121 Ca -0.00 -0.35 0.10 0.00 0.06 0.00 0.00 58.65 58.45 3gqw h GLN 121 Cb 0.14 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 3gqw h GLN 121 CO 0.01 1.14 0.57 0.78 -0.67 0.00 0.00 178.83 180.66 3gqw h GLY 122 N -0.50 1.27 0.73 3.46 0.00 -1.35 0.21 103.07 106.89 3gqw h GLY 122 Ca -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3gqw h GLY 122 CO 0.10 0.20 -0.25 -2.00 0.00 0.00 0.00 176.54 174.60 3gqw h LEU 123 N 0.88 -0.59 -0.19 3.11 7.12 -0.45 -3.03 115.31 122.16 3gqw h LEU 123 Ca 0.41 -0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.40 3gqw h LEU 123 Cb 0.41 0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 3gqw h LEU 123 CO -0.17 -0.24 -0.09 -0.07 -0.13 0.00 0.00 178.44 177.74 3gqw h LEU 124 N -0.98 -0.30 -0.79 2.25 4.07 -0.82 -1.70 115.31 117.03 3gqw h LEU 124 Ca -0.07 0.07 0.17 0.00 0.08 0.00 0.00 57.88 58.13 3gqw h LEU 124 Cb 0.61 0.17 -0.15 0.00 1.08 0.00 0.00 40.66 42.38 3gqw h LEU 124 CO 0.12 -0.12 -0.15 0.00 -1.08 0.00 0.00 178.44 177.21 3gqw h ALA 125 N 1.09 0.61 0.15 1.53 0.00 -0.66 0.69 119.26 122.67 3gqw h ALA 125 Ca 0.10 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 3gqw h ALA 125 Cb 0.22 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gqw h ALA 125 CO -0.23 -0.42 -0.07 1.03 0.00 0.00 0.00 179.25 179.56 3gqw h SER 126 N 0.02 -0.17 1.32 0.00 0.87 -1.26 -3.32 113.55 111.00 3gqw h SER 126 Ca 0.40 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3gqw h SER 126 Cb 0.64 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 3gqw h SER 126 CO -0.79 0.39 -0.37 0.00 -0.53 0.00 0.00 176.83 175.53 3gqw n GLN 128 N -2.48 -1.30 -2.17 0.00 6.02 0.22 -4.81 117.38 112.87 3gqw n GLN 128 Ca 0.04 0.81 -0.32 0.00 -0.01 0.00 0.00 57.00 57.52 3gqw n GLN 128 Cb 0.48 -3.52 -0.01 0.00 1.02 0.00 0.00 30.24 28.20 3gqw n GLN 128 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gqw s PRO 129 N -4.92 3.78 0.14 -1.09 0.04 -1.26 -4.54 135.00 127.15 3gqw s PRO 129 Ca 0.14 0.89 0.19 0.00 0.04 0.00 0.00 61.00 62.26 3gqw s PRO 129 Cb -0.06 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3gqw s PRO 129 CO 0.86 -0.42 0.97 0.00 0.04 0.00 0.00 177.00 178.45 3gqw h ALA 130 N 0.40 0.60 -2.80 8.56 0.00 -0.93 -3.45 119.26 121.64 3gqw h ALA 130 Ca -0.46 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 53.88 3gqw h ALA 130 Cb 1.19 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 3gqw h ALA 130 CO 0.61 0.49 -0.22 0.00 0.00 0.00 0.00 179.25 180.13 3gqw s ALA 131 N -3.12 0.17 -0.19 0.00 0.00 -1.24 -1.37 121.76 116.02 3gqw s ALA 131 Ca -0.01 -1.13 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 3gqw s ALA 131 Cb 0.09 1.14 0.07 0.00 0.00 0.00 0.00 23.12 24.42 3gqw s ALA 131 CO 0.80 -0.80 0.42 -1.50 0.00 0.00 0.00 175.76 174.68 3gqw s ILE 132 N -3.88 -0.29 -0.24 0.00 2.07 -0.73 -1.99 121.20 116.15 3gqw s ILE 132 Ca 0.27 0.12 -0.06 0.00 -1.41 0.00 0.00 60.65 59.57 3gqw s ILE 132 Cb 0.01 -0.65 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 3gqw s ILE 132 CO 0.11 0.05 0.03 -0.63 -1.91 0.00 0.00 174.94 172.60 3gqw s ILE 133 N 1.92 4.06 0.10 2.00 1.01 -0.53 -1.27 121.20 128.49 3gqw s ILE 133 Ca -0.06 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3gqw s ILE 133 Cb -0.10 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3gqw s ILE 133 CO -0.13 0.37 -0.10 0.28 0.00 0.00 0.00 174.94 175.37 3gqw s THR 134 N 1.48 0.92 1.02 2.92 -1.32 -0.29 -2.30 115.64 118.07 3gqw s THR 134 Ca 0.06 -1.70 -0.12 0.00 -1.21 0.00 0.00 61.69 58.72 3gqw s THR 134 Cb -0.15 -1.42 0.20 0.00 -1.51 0.00 0.00 72.50 69.63 3gqw s THR 134 CO 0.02 -0.61 1.08 -0.83 -2.21 0.00 0.00 174.62 172.07 3gqw s GLY 135 N -2.55 1.61 0.20 6.08 0.00 -1.26 -1.24 107.32 110.16 3gqw s GLY 135 Ca 0.07 0.11 -0.10 0.00 0.00 0.00 0.00 44.72 44.79 3gqw s GLY 135 CO -0.01 0.68 1.85 -0.55 0.00 0.00 0.00 173.10 175.07 3gqw h ASP 136 N -2.11 0.73 -0.83 1.64 3.32 -1.97 -3.13 116.42 114.07 3gqw h ASP 136 Ca -0.53 -0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.72 3gqw h ASP 136 Cb 1.30 -0.16 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 3gqw h ASP 136 CO 0.49 0.51 0.26 -0.08 -1.72 0.00 0.00 179.24 178.69 3gqw h GLU 137 N 0.87 0.28 -0.24 3.56 4.81 -2.05 0.15 114.58 121.96 3gqw h GLU 137 Ca 0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3gqw h GLU 137 Cb -0.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3gqw h GLU 137 CO -0.10 0.18 0.00 0.91 -0.73 0.00 0.00 179.01 179.28 3gqw n TRP 138 N -5.15 0.31 -0.02 0.92 7.02 -1.18 -4.38 117.44 114.96 3gqw n TRP 138 Ca 0.19 -0.15 -0.11 0.00 -1.02 0.00 0.00 57.50 56.41 3gqw n TRP 138 Cb 0.59 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.43 3gqw n TRP 138 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3gqw h LEU 139 N 3.31 0.16 0.14 -0.99 5.85 -0.96 0.45 115.31 123.26 3gqw h LEU 139 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3gqw h LEU 139 Cb 0.72 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3gqw h LEU 139 CO 0.00 0.13 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.47 3gqw h PRO 140 N 0.17 -0.24 -0.57 5.25 0.11 -1.76 -0.13 132.00 134.82 3gqw h PRO 140 Ca 0.05 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.29 3gqw h PRO 140 Cb -0.00 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.07 3gqw h PRO 140 CO -0.01 -0.16 0.07 1.25 -0.21 0.00 0.00 178.00 178.94 3gqw h LEU 141 N -0.25 -0.10 0.20 2.35 6.46 -1.72 -2.20 115.31 120.05 3gqw h LEU 141 Ca -0.00 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3gqw h LEU 141 Cb 0.22 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3gqw h LEU 141 CO -0.01 -0.03 -0.09 0.58 -0.62 0.00 0.00 178.44 178.26 3gqw h VAL 142 N 0.19 0.86 -1.01 1.05 2.07 0.07 -3.01 116.25 116.48 3gqw h VAL 142 Ca 0.30 -0.26 0.25 0.00 0.82 0.00 0.00 66.70 67.81 3gqw h VAL 142 Cb 0.45 1.02 -0.12 0.00 -1.52 0.00 0.00 31.29 31.12 3gqw h VAL 142 CO -0.43 0.06 0.60 0.78 0.02 0.00 0.00 177.57 178.60 3gqw h ASN 143 N -0.39 0.66 -0.15 0.57 2.35 -0.47 -2.21 115.58 115.93 3gqw h ASN 143 Ca -0.03 0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3gqw h ASN 143 Cb 0.30 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3gqw h ASN 143 CO 0.04 0.10 -0.38 0.00 -1.65 0.00 0.00 177.43 175.54 3gqw h ALA 144 N 1.73 0.24 0.00 -0.83 0.00 -1.33 -2.05 119.26 117.03 3gqw h ALA 144 Ca 0.65 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3gqw h ALA 144 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gqw h ALA 144 CO -0.47 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.12 3gqw n ALA 145 N -2.51 2.14 -0.12 0.00 0.00 -0.90 -3.10 120.51 116.01 3gqw n ALA 145 Ca -0.07 -0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 3gqw n ALA 145 Cb 0.53 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.56 3gqw n ALA 145 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gqw n THR 146 N -1.10 1.37 0.00 0.00 -1.04 -0.88 -4.82 114.28 107.81 3gqw n THR 146 Ca 0.12 -0.51 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 3gqw n THR 146 Cb 0.09 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 3gqw n THR 146 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3gqw n HIS 147 N -3.30 0.00 0.63 -1.42 8.25 -0.79 0.43 115.22 119.03 3gqw n HIS 147 Ca -0.43 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.04 3gqw n HIS 147 Cb 0.94 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.14 3gqw n HIS 147 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3gqw n ASP 148 N 0.00 1.97 -4.07 0.41 9.92 -1.26 -4.48 116.55 119.05 3gqw n ASP 148 Ca 0.00 -2.19 -0.35 0.00 -0.53 0.00 0.00 54.79 51.72 3gqw n ASP 148 Cb 0.00 -0.52 -0.10 0.00 -0.64 0.00 0.00 41.12 39.86 3gqw n ASP 148 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3gqw s ASN 149 N -0.20 5.20 0.16 -2.24 0.01 0.17 -4.87 114.94 113.17 3gqw s ASN 149 Ca 0.12 -3.08 0.22 0.00 -0.71 0.00 0.00 52.86 49.41 3gqw s ASN 149 Cb 0.09 -1.82 -0.06 0.00 0.41 0.00 0.00 41.25 39.87 3gqw s ASN 149 CO 0.04 -0.30 0.95 -2.65 -1.51 0.00 0.00 177.10 173.62 3gqw n PRO 150 N 3.15 0.61 -0.11 -0.60 -0.02 -1.26 -3.40 135.00 133.38 3gqw n PRO 150 Ca 0.10 0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.69 3gqw n PRO 150 Cb 0.37 -1.78 0.08 0.00 -0.02 0.00 0.00 33.50 32.15 3gqw n PRO 150 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gqw n GLU 151 N -2.63 1.48 -3.47 -0.52 1.02 -1.26 -4.60 120.64 110.66 3gqw n GLU 151 Ca -0.01 -0.69 -0.40 0.00 -0.02 0.00 0.00 57.16 56.04 3gqw n GLU 151 Cb 0.57 -1.19 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 3gqw n GLU 151 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gqw s LEU 152 N -0.98 4.39 -0.00 -4.62 2.96 -1.22 -4.79 118.68 114.43 3gqw s LEU 152 Ca 0.13 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 3gqw s LEU 152 Cb 0.07 -2.24 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 3gqw s LEU 152 CO 0.08 -0.25 1.35 -1.00 -1.32 0.00 0.00 176.35 175.21 3gqw s HIS 153 N 1.88 2.96 -0.18 5.38 3.76 -0.47 -4.97 115.29 123.65 3gqw s HIS 153 Ca 0.09 0.92 -0.06 0.00 -0.15 0.00 0.00 55.06 55.86 3gqw s HIS 153 Cb -0.17 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 29.88 3gqw s HIS 153 CO 0.11 -2.19 0.03 0.08 -0.85 0.00 0.00 174.74 171.93 3gqw s VAL 154 N 2.23 4.51 -0.04 -0.90 1.01 -1.26 -1.78 120.40 124.17 3gqw s VAL 154 Ca 0.62 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3gqw s VAL 154 Cb -0.30 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3gqw s VAL 154 CO 0.26 0.46 -0.09 -0.76 0.00 0.00 0.00 175.10 174.98 3gqw s LEU 155 N 0.42 1.62 0.57 3.92 1.43 -0.40 -4.97 118.68 121.27 3gqw s LEU 155 Ca 0.01 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3gqw s LEU 155 Cb -0.13 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.43 3gqw s LEU 155 CO 0.01 0.02 1.01 -0.94 0.23 0.00 0.00 176.35 176.69 3gqw s SER 156 N 0.52 6.32 0.59 2.29 1.04 -1.26 -1.13 113.70 122.07 3gqw s SER 156 Ca -0.09 1.57 0.29 0.00 0.48 0.00 0.00 55.95 58.20 3gqw s SER 156 Cb -0.12 -2.50 1.68 0.00 0.10 0.00 0.00 66.02 65.18 3gqw s SER 156 CO 0.01 -0.80 2.10 0.45 0.98 0.00 0.00 173.24 175.99 3gqw h HIS 157 N 0.41 0.00 -0.01 5.02 -0.00 -1.48 0.22 115.15 119.31 3gqw h HIS 157 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.90 3gqw h HIS 157 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 3gqw h HIS 157 CO 0.64 0.00 -0.03 0.00 -0.00 0.00 0.00 177.93 178.53 3gqw h ALA 158 N 1.76 0.01 -0.99 2.45 0.00 -1.91 -1.66 119.26 118.92 3gqw h ALA 158 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3gqw h ALA 158 Cb 0.48 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3gqw h ALA 158 CO -0.00 -0.13 0.66 -1.49 0.00 0.00 0.00 179.25 178.28 3gqw h TRP 159 N -0.62 1.23 -0.41 0.00 6.55 -1.69 -0.85 115.95 120.16 3gqw h TRP 159 Ca -0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 3gqw h TRP 159 Cb 0.70 -0.41 -0.02 0.00 -0.86 0.00 0.00 29.16 28.57 3gqw h TRP 159 CO 0.16 0.74 0.26 0.35 -1.05 0.00 0.00 178.44 178.90 3gqw h PHE 160 N 1.30 0.51 0.00 0.49 3.57 -1.01 -1.57 116.94 120.24 3gqw h PHE 160 Ca 0.38 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3gqw h PHE 160 Cb -0.07 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.50 3gqw h PHE 160 CO -0.00 0.33 0.00 0.87 -2.23 0.00 0.00 178.31 177.28 3gqw h LYS 161 N 0.55 0.00 0.14 1.11 1.57 -0.65 -2.92 116.57 116.37 3gqw h LYS 161 Ca 0.15 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.61 3gqw h LYS 161 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3gqw h LYS 161 CO -0.03 0.00 -1.54 0.00 -0.57 0.00 0.00 179.45 177.31 3gqw h ALA 162 N 2.17 0.20 -2.02 3.86 0.00 -0.20 -3.48 119.26 119.78 3gqw h ALA 162 Ca 0.00 -1.07 -0.60 0.00 0.00 0.00 0.00 54.91 53.23 3gqw h ALA 162 Cb 0.29 0.28 0.17 0.00 0.00 0.00 0.00 17.79 18.53 3gqw h ALA 162 CO 0.00 1.06 -0.79 1.28 0.00 0.00 0.00 179.25 180.81 3gqw n LEU 163 N -3.51 -1.78 -4.76 0.00 4.32 -0.88 -4.94 117.00 105.45 3gqw n LEU 163 Ca -0.17 0.77 -0.40 0.00 -0.02 0.00 0.00 56.01 56.19 3gqw n LEU 163 Cb 1.05 -0.98 -0.06 0.00 -1.62 0.00 0.00 43.42 41.82 3gqw n LEU 163 CO 0.52 -3.88 0.60 -2.84 -1.22 0.00 0.00 177.39 170.56 3gqw s PRO 164 N -1.34 4.75 -0.20 3.23 0.02 -1.26 -4.86 135.00 135.34 3gqw s PRO 164 Ca 0.61 1.38 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 3gqw s PRO 164 Cb -0.55 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 30.66 3gqw s PRO 164 CO 0.61 0.51 1.64 -1.21 -0.33 0.00 0.00 177.00 178.22 3gqw s GLU 165 N -1.06 3.81 0.35 5.54 2.02 -1.26 -4.27 118.70 123.83 3gqw s GLU 165 Ca 0.40 1.73 -0.28 0.00 0.02 0.00 0.00 54.97 56.84 3gqw s GLU 165 Cb -0.25 -4.04 -0.12 0.00 0.10 0.00 0.00 34.13 29.82 3gqw s GLU 165 CO 0.30 -1.28 1.43 0.00 0.02 0.00 0.00 175.26 175.73 3gqw n ALA 166 N 8.42 1.99 -2.10 5.21 0.00 -0.91 -4.86 120.51 128.27 3gqw n ALA 166 Ca 0.19 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.70 3gqw n ALA 166 Cb 0.45 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 3gqw n ALA 166 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gqw s ASP 167 N -0.13 5.24 0.13 0.00 2.15 -1.26 -4.86 116.67 117.94 3gqw s ASP 167 Ca 0.55 -1.09 -0.17 0.00 0.43 0.00 0.00 52.55 52.27 3gqw s ASP 167 Cb -0.51 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 39.58 3gqw s ASP 167 CO 0.62 -2.73 0.43 0.68 -0.17 0.00 0.00 175.17 174.00 3gqw s VAL 168 N 9.90 0.06 -0.15 1.11 -7.23 -1.26 -5.16 120.40 117.67 3gqw s VAL 168 Ca 0.68 -0.48 -0.08 0.00 -1.81 0.00 0.00 61.98 60.28 3gqw s VAL 168 Cb -0.04 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 3gqw s VAL 168 CO 0.03 -0.27 0.12 0.00 -0.31 0.00 0.00 175.10 174.68 3gqw s ALA 169 N -3.77 3.73 0.18 1.32 0.00 -1.26 -5.07 121.76 116.90 3gqw s ALA 169 Ca 0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 3gqw s ALA 169 Cb 0.01 -2.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.03 3gqw s ALA 169 CO -0.12 0.42 1.48 -0.51 0.00 0.00 0.00 175.76 177.03 3gqw s LEU 170 N -0.41 4.38 0.11 0.00 2.01 -1.26 -5.00 118.68 118.51 3gqw s LEU 170 Ca 0.11 2.57 -0.24 0.00 0.01 0.00 0.00 54.13 56.58 3gqw s LEU 170 Cb -0.12 -3.60 -0.07 0.00 0.01 0.00 0.00 46.19 42.41 3gqw s LEU 170 CO 0.01 -0.74 0.73 0.00 1.01 0.00 0.00 176.35 177.36 3gqw s GLN 171 N 0.61 4.48 0.28 1.70 -2.07 -1.26 -5.05 119.66 118.34 3gqw s GLN 171 Ca 0.65 1.04 -0.29 0.00 -1.82 0.00 0.00 55.36 54.94 3gqw s GLN 171 Cb -0.42 -3.29 -0.10 0.00 -1.09 0.00 0.00 33.01 28.12 3gqw s GLN 171 CO 0.35 0.50 1.35 1.03 -1.32 0.00 0.00 175.29 177.20 3gqw s ARG 172 N -0.82 4.33 0.44 9.60 1.81 -1.26 -4.77 118.95 128.28 3gqw s ARG 172 Ca 0.35 2.22 -0.22 0.00 -1.72 0.00 0.00 55.73 56.36 3gqw s ARG 172 Cb -0.22 -3.10 -0.09 0.00 -0.45 0.00 0.00 34.95 31.09 3gqw s ARG 172 CO 0.24 -0.27 1.04 -2.14 -0.68 0.00 0.00 175.30 173.48 3gqw s PRO 173 N -1.07 4.02 0.22 3.54 0.02 -1.26 -5.07 135.00 135.40 3gqw s PRO 173 Ca 0.53 1.41 0.06 0.00 0.02 0.00 0.00 61.00 63.03 3gqw s PRO 173 Cb -0.40 -2.32 -0.04 0.00 0.02 0.00 0.00 34.50 31.76 3gqw s PRO 173 CO 0.47 -0.25 0.17 0.14 -0.33 0.00 0.00 177.00 177.20 3gqw s VAL 174 N -1.84 4.41 0.50 3.83 -7.23 -1.26 -4.89 120.40 113.93 3gqw s VAL 174 Ca 0.62 -1.32 0.26 0.00 -1.81 0.00 0.00 61.98 59.73 3gqw s VAL 174 Cb -0.18 -3.34 0.43 0.00 0.56 0.00 0.00 36.38 33.84 3gqw s VAL 174 CO 0.23 -0.27 1.91 -0.65 -0.31 0.00 0.00 175.10 176.01 3gqw h PRO 175 N 1.82 0.12 -0.00 4.82 0.11 -1.96 -0.83 132.00 136.08 3gqw h PRO 175 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gqw h PRO 175 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gqw h PRO 175 CO 0.61 0.08 -0.05 0.09 -0.21 0.00 0.00 178.00 178.52 3gqw n ASN 176 N -4.37 0.31 -4.76 -2.05 3.02 -1.26 -0.89 115.26 105.26 3gqw n ASN 176 Ca 0.16 -0.61 -0.40 0.00 -0.03 0.00 0.00 54.58 53.71 3gqw n ASN 176 Cb 0.78 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 3gqw n ASN 176 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gqw s ASP 177 N -2.37 6.94 0.05 6.41 1.01 -0.32 -4.88 116.67 123.51 3gqw s ASP 177 Ca 0.33 2.41 -0.31 0.00 0.71 0.00 0.00 52.55 55.70 3gqw s ASP 177 Cb 0.21 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.45 3gqw s ASP 177 CO 0.44 -0.39 1.29 -0.63 0.21 0.00 0.00 175.17 176.10 3gqw s ILE 178 N -1.22 3.80 -0.13 0.77 1.01 -1.26 -2.39 121.20 121.77 3gqw s ILE 178 Ca 0.49 1.26 -0.12 0.00 0.00 0.00 0.00 60.65 62.27 3gqw s ILE 178 Cb -0.34 -3.81 -0.25 0.00 0.01 0.00 0.00 42.46 38.07 3gqw s ILE 178 CO 0.44 0.06 0.40 0.00 0.00 0.00 0.00 174.94 175.85 3gqw h ALA 179 N 7.10 0.32 -2.79 9.38 0.00 -0.59 -3.41 119.26 129.27 3gqw h ALA 179 Ca -0.40 -1.27 0.06 0.00 0.00 0.00 0.00 54.91 53.30 3gqw h ALA 179 Cb 1.20 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 19.53 3gqw h ALA 179 CO 0.85 1.05 0.30 1.52 0.00 0.00 0.00 179.25 182.98 3gqw s TYR 180 N -2.50 -0.34 -0.12 0.00 1.13 -1.13 -2.45 117.35 111.93 3gqw s TYR 180 Ca -0.23 0.06 -0.01 0.00 -1.41 0.00 0.00 57.07 55.48 3gqw s TYR 180 Cb 0.06 0.61 -0.02 0.00 -1.10 0.00 0.00 41.96 41.51 3gqw s TYR 180 CO 0.74 -0.91 -0.09 -0.51 -2.51 0.00 0.00 175.55 172.26 3gqw s LEU 181 N -2.78 2.96 -0.40 -3.49 1.43 -0.41 -2.54 118.68 113.45 3gqw s LEU 181 Ca 0.06 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.87 3gqw s LEU 181 Cb -0.03 -1.67 0.06 0.00 0.03 0.00 0.00 46.19 44.58 3gqw s LEU 181 CO -0.04 0.21 0.23 -1.58 0.23 0.00 0.00 176.35 175.40 3gqw s GLN 182 N 0.07 2.66 -0.03 1.70 2.00 -0.44 -4.06 119.66 121.55 3gqw s GLN 182 Ca -0.03 -1.33 0.14 0.00 -2.00 0.00 0.00 55.36 52.14 3gqw s GLN 182 Cb -0.14 -3.73 0.46 0.00 0.80 0.00 0.00 33.01 30.40 3gqw s GLN 182 CO 0.04 -0.86 1.36 0.66 -0.50 0.00 0.00 175.29 175.99 3gqw n TYR 183 N 4.92 0.83 0.40 1.67 4.02 -1.26 -0.78 117.16 126.96 3gqw n TYR 183 Ca -0.11 -0.37 0.14 0.00 -0.01 0.00 0.00 57.90 57.55 3gqw n TYR 183 Cb 0.44 -0.08 0.48 0.00 -0.02 0.00 0.00 39.34 40.16 3gqw n TYR 183 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 3gqw h THR 184 N 2.86 0.00 0.00 -0.72 1.35 -1.89 -3.10 112.91 111.41 3gqw h THR 184 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3gqw h THR 184 Cb 0.85 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3gqw h THR 184 CO 0.07 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.14 3gqw n SER 185 N -2.56 0.00 -2.50 5.36 7.64 -1.25 -3.70 113.62 116.61 3gqw n SER 185 Ca 0.03 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.39 3gqw n SER 185 Cb 0.33 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3gqw n SER 185 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gqw n GLY 186 N 0.52 -0.71 1.67 0.23 0.00 -1.17 -4.59 105.19 101.13 3gqw n GLY 186 Ca 0.05 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3gqw n GLY 186 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gqw n SER 187 N -1.12 0.05 0.00 1.61 3.41 -0.64 -4.70 113.62 112.23 3gqw n SER 187 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3gqw n SER 187 Cb 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3gqw n SER 187 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3gqw n THR 188 N -2.83 0.00 0.91 6.66 5.66 -1.26 -4.86 114.28 118.56 3gqw n THR 188 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 3gqw n THR 188 Cb 0.14 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.82 3gqw n THR 188 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3gqw n ARG 189 N 0.00 0.72 -3.26 1.09 3.00 -1.26 -4.54 116.66 112.41 3gqw n ARG 189 Ca 0.00 -0.10 -0.25 0.00 -0.01 0.00 0.00 57.85 57.49 3gqw n ARG 189 Cb 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 32.46 30.98 3gqw n ARG 189 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3gqw n PHE 190 N -1.30 0.22 -2.89 -1.55 7.35 -1.26 -5.13 117.46 112.89 3gqw n PHE 190 Ca 0.04 -3.63 -0.32 0.00 -0.76 0.00 0.00 57.45 52.77 3gqw n PHE 190 Cb 0.31 -0.32 -0.06 0.00 0.35 0.00 0.00 39.48 39.76 3gqw n PHE 190 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3gqw s PRO 191 N -1.25 4.04 -0.02 -7.13 0.05 -1.26 -1.61 135.00 127.82 3gqw s PRO 191 Ca 0.35 0.84 0.01 0.00 0.05 0.00 0.00 61.00 62.25 3gqw s PRO 191 Cb 0.15 -2.30 0.02 0.00 0.05 0.00 0.00 34.50 32.42 3gqw s PRO 191 CO -0.11 0.01 -0.01 1.03 0.05 0.00 0.00 177.00 177.98 3gqw s ARG 192 N -3.31 0.29 -0.37 4.56 0.52 -1.26 -4.82 118.95 114.56 3gqw s ARG 192 Ca 0.57 0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.70 3gqw s ARG 192 Cb -0.10 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 34.97 3gqw s ARG 192 CO 0.19 -0.09 0.20 0.20 0.02 0.00 0.00 175.30 175.83 3gqw s GLY 193 N 0.76 1.92 -0.01 -3.53 0.00 -1.26 -3.80 107.32 101.40 3gqw s GLY 193 Ca -0.08 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 42.67 3gqw s GLY 193 CO -0.01 0.83 1.54 0.14 0.00 0.00 0.00 173.10 175.59 3gqw s VAL 194 N 1.57 3.55 -0.07 1.40 1.01 0.04 -0.38 120.40 127.51 3gqw s VAL 194 Ca 0.02 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.56 3gqw s VAL 194 Cb -0.19 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3gqw s VAL 194 CO 0.07 -0.03 0.97 -0.63 0.00 0.00 0.00 175.10 175.47 3gqw s ILE 195 N 3.10 4.83 -0.14 2.22 1.01 -0.28 -1.33 121.20 130.61 3gqw s ILE 195 Ca 0.69 1.99 -0.01 0.00 0.00 0.00 0.00 60.65 63.32 3gqw s ILE 195 Cb -0.33 -4.29 0.04 0.00 0.01 0.00 0.00 42.46 37.88 3gqw s ILE 195 CO 0.28 0.07 -0.03 -0.63 0.00 0.00 0.00 174.94 174.63 3gqw s ILE 196 N 1.61 0.85 0.28 2.92 -1.09 -1.05 -2.81 121.20 121.91 3gqw s ILE 196 Ca 0.48 -0.39 -0.07 0.00 -2.23 0.00 0.00 60.65 58.45 3gqw s ILE 196 Cb -0.19 -1.04 -0.06 0.00 -1.58 0.00 0.00 42.46 39.59 3gqw s ILE 196 CO 0.21 0.16 0.57 0.42 -1.23 0.00 0.00 174.94 175.06 3gqw s THR 197 N 1.75 4.98 0.30 2.92 -4.23 -1.26 0.15 115.64 120.24 3gqw s THR 197 Ca 0.02 0.23 0.05 0.00 -1.18 0.00 0.00 61.69 60.82 3gqw s THR 197 Cb -0.14 -3.69 0.29 0.00 1.34 0.00 0.00 72.50 70.30 3gqw s THR 197 CO -0.07 -0.26 1.70 0.45 -0.54 0.00 0.00 174.62 175.90 3gqw h HIS 198 N 1.93 0.70 -0.45 3.99 3.86 -1.34 0.30 115.15 124.14 3gqw h HIS 198 Ca -0.47 0.04 0.08 0.00 -1.16 0.00 0.00 60.37 58.86 3gqw h HIS 198 Cb 1.18 -0.17 -0.07 0.00 1.06 0.00 0.00 27.41 29.42 3gqw h HIS 198 CO 0.59 -0.05 0.04 -0.09 0.86 0.00 0.00 177.93 179.29 3gqw h ARG 199 N 0.41 0.16 -0.19 2.45 2.43 -1.20 -2.89 114.38 115.55 3gqw h ARG 199 Ca 0.58 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.69 3gqw h ARG 199 Cb 1.12 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 3gqw h ARG 199 CO -0.53 0.10 -0.08 0.93 -1.51 0.00 0.00 179.97 178.88 3gqw h GLU 200 N 0.16 0.39 -1.01 0.20 5.08 -0.67 -1.71 114.58 117.02 3gqw h GLU 200 Ca 0.23 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3gqw h GLU 200 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gqw h GLU 200 CO -0.34 0.68 0.00 1.55 -1.00 0.00 0.00 179.01 179.90 3gqw n VAL 201 N -4.59 0.16 0.00 3.13 3.14 -0.27 -2.64 118.33 117.26 3gqw n VAL 201 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 3gqw n VAL 201 Cb 0.31 -0.42 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 3gqw n VAL 201 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gqw n ALA 203 N 0.59 0.00 -0.03 1.55 0.00 -0.65 -0.98 120.51 120.99 3gqw n ALA 203 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3gqw n ALA 203 Cb 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.49 3gqw n ALA 203 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3gqw h ASN 204 N 0.00 0.18 -0.87 0.00 -1.24 -1.78 -2.36 115.58 109.52 3gqw h ASN 204 Ca 0.00 -0.49 0.12 0.00 0.71 0.00 0.00 56.30 56.64 3gqw h ASN 204 Cb 0.00 -0.05 -0.08 0.00 0.73 0.00 0.00 38.32 38.91 3gqw h ASN 204 CO 0.00 0.64 0.49 -0.07 -1.29 0.00 0.00 177.43 177.19 3gqw h LEU 205 N -0.27 0.66 0.05 0.34 4.07 -1.34 0.26 115.31 119.08 3gqw h LEU 205 Ca 0.01 0.07 0.01 0.00 0.08 0.00 0.00 57.88 58.04 3gqw h LEU 205 Cb 0.59 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 3gqw h LEU 205 CO 0.02 0.33 -0.24 0.03 -1.08 0.00 0.00 178.44 177.49 3gqw h ARG 206 N 0.75 -0.33 -0.55 1.13 3.08 -1.74 -1.71 114.38 115.01 3gqw h ARG 206 Ca 0.45 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.63 3gqw h ARG 206 Cb 0.53 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.56 3gqw h ARG 206 CO -0.30 -0.22 -0.01 0.00 -1.07 0.00 0.00 179.97 178.37 3gqw h ALA 207 N -1.08 0.52 -0.46 0.04 0.00 -0.75 -0.03 119.26 117.50 3gqw h ALA 207 Ca -0.00 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3gqw h ALA 207 Cb 0.34 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3gqw h ALA 207 CO -0.14 -0.39 0.28 0.82 0.00 0.00 0.00 179.25 179.83 3gqw h ILE 208 N 0.11 1.06 0.00 0.00 2.04 -0.47 0.21 117.51 120.46 3gqw h ILE 208 Ca 0.28 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 3gqw h ILE 208 Cb 0.43 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3gqw h ILE 208 CO -0.47 0.10 -0.61 0.77 0.00 0.00 0.00 178.15 177.95 3gqw h SER 209 N 0.57 0.00 0.00 1.72 4.64 -0.67 0.33 113.55 120.14 3gqw h SER 209 Ca 0.18 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3gqw h SER 209 Cb -0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 3gqw h SER 209 CO -0.07 0.27 -1.68 1.57 -0.87 0.00 0.00 176.83 176.04 3gqw n HIS 210 N -3.02 0.00 0.00 4.77 -0.00 -0.08 -1.48 115.22 115.41 3gqw n HIS 210 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3gqw n HIS 210 Cb 0.66 -0.41 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 3gqw n HIS 210 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3gqw n ASP 211 N -2.15 1.57 0.00 0.26 10.43 0.13 -4.65 116.55 122.14 3gqw n ASP 211 Ca -0.09 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.19 3gqw n ASP 211 Cb 0.56 0.47 0.00 0.00 1.84 0.00 0.00 41.12 43.99 3gqw n ASP 211 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gqw n GLY 212 N 0.94 0.04 0.26 0.44 0.00 0.49 -4.67 105.19 102.69 3gqw n GLY 212 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3gqw n GLY 212 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gqw h ILE 213 N 0.00 1.10 -5.62 -0.61 1.08 -0.61 -3.47 117.51 109.38 3gqw h ILE 213 Ca 0.00 -0.40 -0.25 0.00 -0.39 0.00 0.00 64.86 63.81 3gqw h ILE 213 Cb 0.00 1.03 0.14 0.00 -3.07 0.00 0.00 36.82 34.93 3gqw h ILE 213 CO 0.00 0.13 -0.75 0.29 -0.69 0.00 0.00 178.15 177.13 3gqw n LYS 214 N -4.40 -1.89 -0.73 2.37 5.02 -1.22 -4.96 118.16 112.35 3gqw n LYS 214 Ca -0.01 0.88 -0.31 0.00 -2.02 0.00 0.00 58.31 56.85 3gqw n LYS 214 Cb 0.17 -5.41 0.16 0.00 -0.02 0.00 0.00 35.03 29.93 3gqw n LYS 214 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gqw s LEU 215 N -5.39 2.88 0.12 -0.35 1.43 -0.55 -4.99 118.68 111.83 3gqw s LEU 215 Ca 0.38 2.23 0.04 0.00 -1.03 0.00 0.00 54.13 55.75 3gqw s LEU 215 Cb -0.07 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 3gqw s LEU 215 CO 0.77 -3.09 -0.09 -0.13 0.23 0.00 0.00 176.35 174.04 3gqw s ARG 216 N -4.58 0.95 0.56 1.70 0.52 -1.26 -4.94 118.95 111.90 3gqw s ARG 216 Ca 0.68 -1.34 -0.20 0.00 -0.52 0.00 0.00 55.73 54.35 3gqw s ARG 216 Cb -0.24 -0.50 -0.05 0.00 0.52 0.00 0.00 34.95 34.69 3gqw s ARG 216 CO 0.57 0.05 1.22 -2.14 0.02 0.00 0.00 175.30 175.02 3gqw s PRO 217 N -3.50 3.15 0.00 3.54 0.02 -1.26 -2.41 135.00 134.54 3gqw s PRO 217 Ca 0.12 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3gqw s PRO 217 Cb 0.02 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3gqw s PRO 217 CO -0.01 -1.07 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 3gqw n GLY 218 N 0.50 3.28 3.74 0.52 0.00 -1.26 -5.04 105.19 106.94 3gqw n GLY 218 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3gqw n GLY 218 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqw s ASP 219 N -1.05 4.85 -0.03 1.61 1.01 -1.01 -4.95 116.67 117.09 3gqw s ASP 219 Ca 0.00 2.61 0.01 0.00 0.71 0.00 0.00 52.55 55.88 3gqw s ASP 219 Cb 0.00 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.33 3gqw s ASP 219 CO 0.00 -1.84 -0.02 -0.60 0.21 0.00 0.00 175.17 172.92 3gqw s ARG 220 N -3.27 0.52 -0.03 8.23 3.52 -1.26 -4.42 118.95 122.24 3gqw s ARG 220 Ca 0.79 -0.02 -0.18 0.00 -0.13 0.00 0.00 55.73 56.19 3gqw s ARG 220 Cb -0.37 -0.61 -0.05 0.00 -1.56 0.00 0.00 34.95 32.36 3gqw s ARG 220 CO 0.40 -0.09 0.51 0.00 -0.81 0.00 0.00 175.30 175.31 3gqw s VAL 222 N -0.24 1.52 0.01 0.00 1.01 -0.36 0.75 120.40 123.08 3gqw s VAL 222 Ca 0.27 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3gqw s VAL 222 Cb -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3gqw s VAL 222 CO 0.14 0.44 -0.01 -0.55 0.00 0.00 0.00 175.10 175.12 3gqw s SER 223 N 1.01 0.13 0.00 3.32 0.15 0.04 -4.35 113.70 113.99 3gqw s SER 223 Ca -0.06 -0.26 0.04 0.00 0.70 0.00 0.00 55.95 56.36 3gqw s SER 223 Cb -0.15 0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 3gqw s SER 223 CO -0.02 -0.16 0.45 -2.67 1.20 0.00 0.00 173.24 172.03 3gqw n TRP 224 N 2.29 0.00 -0.79 3.44 4.27 -1.26 -1.65 117.44 123.74 3gqw n TRP 224 Ca -0.18 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.10 3gqw n TRP 224 Cb 0.57 0.00 0.12 0.00 -1.36 0.00 0.00 31.31 30.65 3gqw n TRP 224 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3gqw n LEU 225 N -0.25 -0.71 -4.86 5.67 4.77 -1.26 -3.02 117.00 117.33 3gqw n LEU 225 Ca 0.02 0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 3gqw n LEU 225 Cb 0.08 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 39.95 3gqw n LEU 225 CO 0.04 -3.69 0.21 -2.16 -1.33 0.00 0.00 177.39 170.46 3gqw s PRO 226 N -3.54 3.85 0.00 3.23 0.05 -1.26 -4.65 135.00 132.68 3gqw s PRO 226 Ca 0.56 0.33 0.23 0.00 0.05 0.00 0.00 61.00 62.16 3gqw s PRO 226 Cb -0.20 -2.76 0.99 0.00 0.05 0.00 0.00 34.50 32.58 3gqw s PRO 226 CO 0.68 0.38 1.73 1.19 0.05 0.00 0.00 177.00 181.03 3gqw n PHE 227 N 0.22 0.00 1.54 0.56 3.72 -1.26 -2.73 117.46 119.52 3gqw n PHE 227 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 3gqw n PHE 227 Cb 0.52 -0.47 0.56 0.00 -0.94 0.00 0.00 39.48 39.15 3gqw n PHE 227 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3gqw n TYR 228 N -1.47 0.04 -4.07 1.38 0.18 -1.26 -4.37 117.16 107.60 3gqw n TYR 228 Ca 0.06 -0.02 -0.22 0.00 1.88 0.00 0.00 57.90 59.60 3gqw n TYR 228 Cb 0.25 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.16 3gqw n TYR 228 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 3gqw s HIS 229 N -1.96 2.87 -0.65 -3.48 3.76 -1.10 -4.77 115.29 109.96 3gqw s HIS 229 Ca 0.38 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3gqw s HIS 229 Cb 0.20 -1.53 0.00 0.00 1.11 0.00 0.00 32.58 32.36 3gqw s HIS 229 CO 0.32 0.40 0.17 -3.47 -0.85 0.00 0.00 174.74 171.31 3gqw n ASP 230 N -1.17 0.42 0.00 1.40 2.03 -1.26 -2.24 116.55 115.73 3gqw n ASP 230 Ca -0.05 -0.50 0.00 0.00 0.52 0.00 0.00 54.79 54.76 3gqw n ASP 230 Cb 0.59 -0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.87 3gqw n ASP 230 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gqw n GLY 232 N 0.55 0.00 0.00 0.27 0.00 -1.24 -1.42 105.19 103.34 3gqw n GLY 232 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gqw n GLY 232 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3gqw n LEU 233 N 0.00 0.83 -0.20 0.99 7.94 -0.95 -1.86 117.00 123.75 3gqw n LEU 233 Ca 0.00 0.47 0.03 0.00 -1.11 0.00 0.00 56.01 55.41 3gqw n LEU 233 Cb 0.00 -0.24 0.29 0.00 0.53 0.00 0.00 43.42 44.01 3gqw n LEU 233 CO 0.00 -0.24 1.23 0.58 -1.11 0.00 0.00 177.39 177.85 3gqw h VAL 234 N 0.00 1.12 0.01 1.96 2.07 -1.51 -1.23 116.25 118.66 3gqw h VAL 234 Ca 0.00 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 3gqw h VAL 234 Cb 0.00 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 29.92 3gqw h VAL 234 CO 0.00 0.16 -0.50 1.23 0.02 0.00 0.00 177.57 178.48 3gqw h GLY 235 N 0.90 0.36 -0.04 2.17 0.00 -1.70 -2.63 103.07 102.12 3gqw h GLY 235 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3gqw h GLY 235 CO -0.08 0.58 -0.02 0.69 0.00 0.00 0.00 176.54 177.71 3gqw n PHE 236 N -4.30 0.00 0.02 5.60 3.72 -0.78 -4.10 117.46 117.62 3gqw n PHE 236 Ca -0.10 -0.53 -0.02 0.00 -0.05 0.00 0.00 57.45 56.75 3gqw n PHE 236 Cb 0.63 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 3gqw n PHE 236 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3gqw n LEU 237 N -0.63 1.08 -0.06 4.37 0.00 -0.51 -4.76 117.00 116.49 3gqw n LEU 237 Ca 0.04 0.15 -0.12 0.00 0.00 0.00 0.00 56.01 56.07 3gqw n LEU 237 Cb 0.39 -0.35 -0.06 0.00 0.00 0.00 0.00 43.42 43.39 3gqw n LEU 237 CO 0.00 -0.57 0.69 -0.07 0.00 0.00 0.00 177.39 177.44 3gqw h LEU 238 N -0.14 0.34 -0.07 -1.96 3.38 -1.53 -3.09 115.31 112.23 3gqw h LEU 238 Ca -0.02 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3gqw h LEU 238 Cb 0.29 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3gqw h LEU 238 CO -0.01 0.65 0.02 0.74 0.09 0.00 0.00 178.44 179.92 3gqw h THR 239 N 0.03 1.18 -0.83 0.22 2.02 -1.62 0.10 112.91 114.02 3gqw h THR 239 Ca 0.04 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.74 3gqw h THR 239 Cb 0.50 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 3gqw h THR 239 CO 0.02 0.16 0.50 -0.65 0.37 0.00 0.00 175.52 175.91 3gqw h PRO 240 N -0.09 0.86 0.23 6.66 0.11 -1.76 -2.34 132.00 135.67 3gqw h PRO 240 Ca 0.02 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3gqw h PRO 240 Cb 0.23 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.15 3gqw h PRO 240 CO -0.00 0.57 -0.11 0.28 -0.21 0.00 0.00 178.00 178.53 3gqw h VAL 241 N 0.88 0.78 0.00 3.15 2.07 -1.36 -0.26 116.25 121.51 3gqw h VAL 241 Ca 0.37 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3gqw h VAL 241 Cb 0.23 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3gqw h VAL 241 CO -0.20 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.41 3gqw n ALA 242 N -2.24 2.11 -0.20 1.67 0.00 0.31 -2.67 120.51 119.50 3gqw n ALA 242 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3gqw n ALA 242 Cb 0.15 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gqw n ALA 242 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3gqw n THR 243 N -0.92 0.00 -2.05 0.00 5.66 -0.90 -2.34 114.28 113.73 3gqw n THR 243 Ca 0.11 -0.24 -0.19 0.00 -3.05 0.00 0.00 64.05 60.67 3gqw n THR 243 Cb 0.05 1.20 -0.04 0.00 -1.55 0.00 0.00 70.33 69.99 3gqw n THR 243 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gqw n GLN 244 N -0.30 -1.47 -3.41 1.09 3.00 -0.15 -4.57 117.38 111.57 3gqw n GLN 244 Ca 0.00 1.04 -0.26 0.00 -0.01 0.00 0.00 57.00 57.77 3gqw n GLN 244 Cb 0.05 -5.51 -0.02 0.00 0.00 0.00 0.00 30.24 24.76 3gqw n GLN 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3gqw s LEU 245 N -5.12 4.06 0.41 1.08 1.43 -0.97 -4.77 118.68 114.80 3gqw s LEU 245 Ca 0.00 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.54 3gqw s LEU 245 Cb 0.00 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 3gqw s LEU 245 CO 0.00 -0.23 0.72 -0.44 0.23 0.00 0.00 176.35 176.63 3gqw s SER 246 N -3.68 6.39 -0.01 2.29 0.01 -1.26 -4.54 113.70 112.89 3gqw s SER 246 Ca 0.41 0.93 -0.01 0.00 1.31 0.00 0.00 55.95 58.59 3gqw s SER 246 Cb -0.10 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3gqw s SER 246 CO 0.34 -0.43 0.02 0.54 0.41 0.00 0.00 173.24 174.12 3gqw s VAL 247 N -2.47 -0.01 -0.18 3.43 0.11 -0.63 -1.01 120.40 119.63 3gqw s VAL 247 Ca 0.48 0.04 -0.04 0.00 -2.93 0.00 0.00 61.98 59.53 3gqw s VAL 247 Cb -0.10 -0.04 -0.02 0.00 -1.53 0.00 0.00 36.38 34.68 3gqw s VAL 247 CO 0.37 0.02 -0.03 -1.81 -3.33 0.00 0.00 175.10 170.32 3gqw s ASP 248 N 0.21 4.70 -0.11 3.54 1.01 0.23 -1.04 116.67 125.22 3gqw s ASP 248 Ca -0.02 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.02 3gqw s ASP 248 Cb -0.03 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 42.09 3gqw s ASP 248 CO -0.01 0.09 -0.07 -0.31 0.21 0.00 0.00 175.17 175.09 3gqw s TYR 249 N 0.81 2.94 0.20 4.23 1.51 -0.04 -0.78 117.35 126.21 3gqw s TYR 249 Ca -0.01 -0.21 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 3gqw s TYR 249 Cb -0.14 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.85 3gqw s TYR 249 CO 0.02 0.11 0.07 -0.51 -1.11 0.00 0.00 175.55 174.12 3gqw s LEU 250 N -0.19 3.50 0.33 -1.29 1.43 -0.66 -1.24 118.68 120.57 3gqw s LEU 250 Ca 0.02 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 3gqw s LEU 250 Cb -0.13 -2.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 3gqw s LEU 250 CO 0.03 0.05 1.01 -0.13 0.23 0.00 0.00 176.35 177.54 3gqw s ARG 251 N -3.26 4.49 0.19 1.70 0.52 -1.26 -4.38 118.95 116.95 3gqw s ARG 251 Ca 0.30 1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 56.91 3gqw s ARG 251 Cb -0.09 -2.85 0.18 0.00 0.52 0.00 0.00 34.95 32.71 3gqw s ARG 251 CO 0.21 0.15 1.79 1.15 0.02 0.00 0.00 175.30 178.63 3gqw h THR 252 N 2.64 0.96 0.00 0.02 2.02 -1.80 -1.65 112.91 115.09 3gqw h THR 252 Ca -0.47 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 3gqw h THR 252 Cb 1.20 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3gqw h THR 252 CO 0.65 0.11 -0.43 0.06 0.37 0.00 0.00 175.52 176.28 3gqw h GLN 253 N 0.58 0.00 -0.40 6.66 -0.00 -1.93 -1.47 115.11 118.55 3gqw h GLN 253 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.87 3gqw h GLN 253 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.62 3gqw h GLN 253 CO -0.17 0.43 0.11 -0.44 -0.00 0.00 0.00 178.83 178.76 3gqw h ASP 254 N 0.00 0.59 -0.36 0.06 3.32 -1.83 -3.18 116.42 115.01 3gqw h ASP 254 Ca -0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 3gqw h ASP 254 Cb 0.82 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 3gqw h ASP 254 CO 0.06 0.65 0.18 0.15 -1.72 0.00 0.00 179.24 178.56 3gqw h PHE 255 N 0.50 0.51 0.00 4.55 3.57 -0.79 -1.21 116.94 124.06 3gqw h PHE 255 Ca 0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3gqw h PHE 255 Cb 0.28 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3gqw h PHE 255 CO 0.01 0.42 0.00 0.00 -2.23 0.00 0.00 178.31 176.51 3gqw n ALA 256 N -2.25 0.94 -0.55 2.41 0.00 -0.60 -0.99 120.51 119.46 3gqw n ALA 256 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3gqw n ALA 256 Cb 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3gqw n ALA 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gqw n ARG 258 N 0.12 0.00 -0.30 0.00 1.74 -0.46 -5.10 116.66 112.66 3gqw n ARG 258 Ca 0.00 0.00 0.24 0.00 -0.77 0.00 0.00 57.85 57.32 3gqw n ARG 258 Cb 0.00 -0.73 0.55 0.00 -1.02 0.00 0.00 32.46 31.26 3gqw n ARG 258 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3gqw h PRO 259 N 4.40 0.32 0.00 5.56 0.11 -1.32 -0.18 132.00 140.89 3gqw h PRO 259 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3gqw h PRO 259 Cb 0.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3gqw h PRO 259 CO 0.19 0.21 0.00 1.28 -0.21 0.00 0.00 178.00 179.47 3gqw n LEU 260 N -4.54 0.00 0.12 2.35 7.99 -1.26 -2.15 117.00 119.51 3gqw n LEU 260 Ca 0.24 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 56.22 3gqw n LEU 260 Cb 0.89 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 44.29 3gqw n LEU 260 CO 0.29 0.00 0.41 1.56 -1.51 0.00 0.00 177.39 178.14 3gqw h GLN 261 N 0.00 0.00 -0.05 3.23 1.08 -1.38 -1.22 115.11 116.77 3gqw h GLN 261 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3gqw h GLN 261 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 3gqw h GLN 261 CO 0.00 0.69 -0.52 2.35 -0.95 0.00 0.00 178.83 180.39 3gqw h TRP 262 N 0.00 -1.55 -0.75 2.96 7.01 -1.63 0.14 115.95 122.13 3gqw h TRP 262 Ca -0.01 0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3gqw h TRP 262 Cb 1.30 0.68 -0.03 0.00 -2.10 0.00 0.00 29.16 29.01 3gqw h TRP 262 CO 0.00 -0.55 0.35 -0.07 -2.79 0.00 0.00 178.44 175.38 3gqw h LEU 263 N -0.62 0.98 -0.93 0.65 3.38 -1.70 -1.56 115.31 115.51 3gqw h LEU 263 Ca 0.02 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3gqw h LEU 263 Cb 0.69 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 3gqw h LEU 263 CO -0.38 0.84 0.59 0.11 0.09 0.00 0.00 178.44 179.70 3gqw h LYS 264 N 1.07 1.09 -0.02 1.13 1.57 -0.84 -1.21 116.57 119.36 3gqw h LYS 264 Ca 0.26 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3gqw h LYS 264 Cb 0.13 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3gqw h LYS 264 CO -0.03 0.72 -0.01 1.25 -0.57 0.00 0.00 179.45 180.81 3gqw h LEU 265 N 1.12 0.04 -0.76 2.94 6.46 0.07 0.41 115.31 125.58 3gqw h LEU 265 Ca 0.38 -0.38 0.12 0.00 -0.12 0.00 0.00 57.88 57.88 3gqw h LEU 265 Cb 0.08 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 3gqw h LEU 265 CO -0.14 0.41 0.36 0.40 -0.62 0.00 0.00 178.44 178.84 3gqw h ILE 266 N -0.34 0.76 0.00 4.05 2.04 -1.17 -1.61 117.51 121.24 3gqw h ILE 266 Ca 0.00 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 3gqw h ILE 266 Cb 0.39 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3gqw h ILE 266 CO 0.00 0.10 -0.68 -1.28 0.00 0.00 0.00 178.15 176.29 3gqw h SER 267 N 0.56 0.00 0.57 1.72 0.87 -0.98 1.14 113.55 117.44 3gqw h SER 267 Ca 0.40 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.93 3gqw h SER 267 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3gqw h SER 267 CO -0.33 0.68 -0.28 0.50 -0.53 0.00 0.00 176.83 176.87 3gqw h LYS 268 N 0.00 -0.74 -0.84 2.24 3.64 0.81 -3.19 116.57 118.49 3gqw h LYS 268 Ca -0.01 0.05 -0.22 0.00 -1.27 0.00 0.00 60.65 59.20 3gqw h LYS 268 Cb 1.35 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 33.20 3gqw h LYS 268 CO 0.09 -0.50 0.28 0.09 -2.27 0.00 0.00 179.45 177.15 3gqw n ASN 269 N -4.37 4.24 -3.83 4.20 5.03 -1.06 -4.90 115.26 114.58 3gqw n ASN 269 Ca -0.10 -3.06 -0.26 0.00 0.87 0.00 0.00 54.58 52.03 3gqw n ASN 269 Cb 0.30 -0.72 0.02 0.00 -1.02 0.00 0.00 39.78 38.37 3gqw n ASN 269 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gqw n ARG 270 N -0.20 -4.97 -1.59 3.52 5.12 -0.98 -4.88 116.66 112.67 3gqw n ARG 270 Ca 0.37 0.58 -0.39 0.00 -1.93 0.00 0.00 57.85 56.48 3gqw n ARG 270 Cb 1.26 -5.24 0.04 0.00 -1.16 0.00 0.00 32.46 27.36 3gqw n ARG 270 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gqw n GLY 271 N -1.66 -0.44 0.67 -0.13 0.00 0.39 -4.80 105.19 99.21 3gqw n GLY 271 Ca -0.15 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3gqw n GLY 271 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gqw n THR 272 N -1.28 0.48 -5.05 2.61 -1.04 0.70 -3.80 114.28 106.91 3gqw n THR 272 Ca 0.12 -0.13 -0.32 0.00 -2.04 0.00 0.00 64.05 61.68 3gqw n THR 272 Cb 0.44 -1.55 -0.15 0.00 -1.82 0.00 0.00 70.33 67.26 3gqw n THR 272 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3gqw s VAL 273 N -2.16 2.61 -0.09 12.58 1.01 -0.19 -0.46 120.40 133.69 3gqw s VAL 273 Ca -0.12 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.72 3gqw s VAL 273 Cb 0.05 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.49 3gqw s VAL 273 CO 0.16 0.57 0.62 -0.55 0.00 0.00 0.00 175.10 175.90 3gqw s SER 274 N -0.37 -0.59 -0.02 3.32 0.15 -0.74 -1.22 113.70 114.23 3gqw s SER 274 Ca 0.03 0.77 -0.01 0.00 0.70 0.00 0.00 55.95 57.44 3gqw s SER 274 Cb -0.12 0.70 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 3gqw s SER 274 CO 0.02 -0.49 0.04 -0.69 1.20 0.00 0.00 173.24 173.32 3gqw s VAL 275 N -0.82 -0.02 0.16 4.45 1.01 -1.26 -0.82 120.40 123.10 3gqw s VAL 275 Ca -0.09 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 3gqw s VAL 275 Cb -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 3gqw s VAL 275 CO 0.07 0.02 0.28 0.00 0.00 0.00 0.00 175.10 175.47 3gqw s ALA 276 N 0.31 -0.04 0.83 5.51 0.00 -0.67 -4.85 121.76 122.85 3gqw s ALA 276 Ca -0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 3gqw s ALA 276 Cb -0.04 0.83 0.09 0.00 0.00 0.00 0.00 23.12 24.01 3gqw s ALA 276 CO -0.01 -0.64 1.12 -2.14 0.00 0.00 0.00 175.76 174.09 3gqw s PRO 277 N -3.96 1.73 0.48 0.00 0.02 -1.26 -2.82 135.00 129.20 3gqw s PRO 277 Ca 0.16 1.33 0.24 0.00 0.02 0.00 0.00 61.00 62.75 3gqw s PRO 277 Cb 0.03 -1.83 1.28 0.00 0.02 0.00 0.00 34.50 34.01 3gqw s PRO 277 CO -0.01 -2.06 1.88 -1.35 -0.33 0.00 0.00 177.00 175.13 3gqw h PRO 278 N -1.44 0.19 0.00 5.54 0.11 -1.86 -0.47 132.00 134.07 3gqw h PRO 278 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3gqw h PRO 278 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gqw h PRO 278 CO 0.47 0.13 -0.16 0.27 -0.21 0.00 0.00 178.00 178.50 3gqw h PHE 279 N 0.20 0.00 -0.24 0.65 -5.15 -1.94 -2.61 116.94 107.85 3gqw h PHE 279 Ca 0.43 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.13 3gqw h PHE 279 Cb 1.37 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.52 3gqw h PHE 279 CO -0.00 0.16 -0.17 0.78 -2.00 0.00 0.00 178.31 177.08 3gqw h GLY 280 N 2.73 0.44 0.19 6.09 0.00 -1.42 -0.59 103.07 110.51 3gqw h GLY 280 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 3gqw h GLY 280 CO 0.02 0.29 -0.04 -0.97 0.00 0.00 0.00 176.54 175.84 3gqw h TYR 281 N 0.38 -0.10 -0.96 5.60 0.05 -1.57 -3.12 116.97 117.25 3gqw h TYR 281 Ca 0.07 -0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.05 3gqw h TYR 281 Cb 0.52 0.03 -0.09 0.00 1.01 0.00 0.00 36.73 38.21 3gqw h TYR 281 CO 0.01 0.40 0.61 1.49 -1.05 0.00 0.00 178.16 179.63 3gqw h GLU 282 N -0.92 0.55 -0.58 4.88 4.22 -1.44 -1.30 114.58 119.99 3gqw h GLU 282 Ca -0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 3gqw h GLU 282 Cb 0.55 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 3gqw h GLU 282 CO 0.02 0.37 0.03 1.25 -2.18 0.00 0.00 179.01 178.50 3gqw h LEU 283 N 0.57 0.98 -0.17 1.64 5.85 -1.17 -2.11 115.31 120.90 3gqw h LEU 283 Ca 0.53 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3gqw h LEU 283 Cb 1.07 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3gqw h LEU 283 CO -0.27 1.03 -0.08 0.00 -0.34 0.00 0.00 178.44 178.78 3gqw h GLN 285 N 0.02 0.25 0.00 0.00 -0.00 -1.33 -1.41 115.11 112.64 3gqw h GLN 285 Ca 0.04 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 58.42 3gqw h GLN 285 Cb 0.55 -0.06 -0.04 0.00 0.00 0.00 0.00 27.48 27.93 3gqw h GLN 285 CO 0.02 0.17 -1.37 -0.09 0.00 0.00 0.00 178.83 177.56 3gqw h ARG 286 N 0.26 0.00 -0.18 1.69 2.43 -1.28 -3.37 114.38 113.93 3gqw h ARG 286 Ca 0.12 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3gqw h ARG 286 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3gqw h ARG 286 CO -0.02 0.71 -0.04 0.54 -1.51 0.00 0.00 179.97 179.64 3gqw n ARG 287 N -3.18 2.15 -3.13 0.20 1.74 -0.67 -4.99 116.66 108.78 3gqw n ARG 287 Ca -0.09 -2.86 -0.39 0.00 -0.77 0.00 0.00 57.85 53.74 3gqw n ARG 287 Cb 0.99 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.65 3gqw n ARG 287 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gqw s VAL 288 N -2.95 4.76 0.38 1.55 0.11 -0.57 -4.86 120.40 118.82 3gqw s VAL 288 Ca 0.39 1.40 0.08 0.00 -2.93 0.00 0.00 61.98 60.92 3gqw s VAL 288 Cb 0.34 -4.00 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 3gqw s VAL 288 CO 0.04 0.45 0.22 0.54 -3.33 0.00 0.00 175.10 173.02 3gqw s ASN 289 N -0.46 4.74 0.51 3.54 2.20 -1.26 -5.03 114.94 119.18 3gqw s ASN 289 Ca 0.33 -0.83 0.20 0.00 -0.94 0.00 0.00 52.86 51.62 3gqw s ASN 289 Cb -0.20 -0.64 1.30 0.00 -2.00 0.00 0.00 41.25 39.71 3gqw s ASN 289 CO 0.20 -0.45 2.06 -0.33 -2.94 0.00 0.00 177.10 175.64 3gqw h GLU 290 N 1.37 0.05 0.00 3.55 4.39 -2.00 -1.88 114.58 120.06 3gqw h GLU 290 Ca -0.43 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.22 3gqw h GLU 290 Cb 1.26 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 3gqw h GLU 290 CO 0.63 0.03 -0.24 -0.22 -1.16 0.00 0.00 179.01 178.06 3gqw h LYS 291 N 0.05 0.00 0.06 2.33 3.64 -2.00 -2.48 116.57 118.17 3gqw h LYS 291 Ca 0.14 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 3gqw h LYS 291 Cb 0.50 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3gqw h LYS 291 CO -0.01 0.24 -0.39 -0.44 -2.27 0.00 0.00 179.45 176.58 3gqw h ASP 292 N 0.00 0.23 -0.39 4.20 3.32 -1.75 -3.23 116.42 118.79 3gqw h ASP 292 Ca -0.00 -0.97 0.11 0.00 0.02 0.00 0.00 57.03 56.19 3gqw h ASP 292 Cb 0.62 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3gqw h ASP 292 CO 0.03 1.18 0.39 -0.07 -1.72 0.00 0.00 179.24 179.05 3gqw h LEU 293 N -0.68 0.00 -1.14 1.55 3.38 -1.42 -1.54 115.31 115.46 3gqw h LEU 293 Ca -0.07 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3gqw h LEU 293 Cb 1.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 3gqw h LEU 293 CO 0.07 0.00 0.59 0.00 0.09 0.00 0.00 178.44 179.19 3gqw h ALA 294 N 1.58 1.47 -0.06 1.53 0.00 -1.46 -3.26 119.26 119.06 3gqw h ALA 294 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gqw h ALA 294 Cb 0.97 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3gqw h ALA 294 CO -0.00 0.42 -0.40 -0.85 0.00 0.00 0.00 179.25 178.42 3gqw n GLU 295 N -4.46 1.62 -4.93 0.00 0.28 -0.58 -4.99 120.64 107.57 3gqw n GLU 295 Ca 0.13 -3.25 -0.32 0.00 -0.16 0.00 0.00 57.16 53.56 3gqw n GLU 295 Cb 0.15 -1.65 -0.16 0.00 1.43 0.00 0.00 31.44 31.21 3gqw n GLU 295 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3gqw s LEU 296 N -3.22 2.28 -0.27 -1.84 1.43 -1.23 -4.96 118.68 110.89 3gqw s LEU 296 Ca 0.39 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 3gqw s LEU 296 Cb 0.37 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 45.17 3gqw s LEU 296 CO -0.05 0.14 -0.09 -0.62 0.23 0.00 0.00 176.35 175.95 3gqw s ASP 297 N 0.50 4.49 0.00 2.29 2.15 -1.26 -4.82 116.67 120.02 3gqw s ASP 297 Ca -0.13 -1.45 0.22 0.00 0.43 0.00 0.00 52.55 51.63 3gqw s ASP 297 Cb -0.17 -1.56 0.52 0.00 -0.30 0.00 0.00 42.92 41.41 3gqw s ASP 297 CO 0.05 -0.21 1.46 0.18 -0.17 0.00 0.00 175.17 176.48 3gqw n LEU 298 N 4.43 3.46 0.22 -1.34 4.32 0.14 -4.35 117.00 123.86 3gqw n LEU 298 Ca -0.13 -1.58 0.13 0.00 -0.02 0.00 0.00 56.01 54.41 3gqw n LEU 298 Cb 0.42 -0.32 0.75 0.00 -1.62 0.00 0.00 43.42 42.64 3gqw n LEU 298 CO 0.21 0.79 1.11 0.77 -1.22 0.00 0.00 177.39 179.06 3gqw h SER 299 N 4.19 0.00 0.83 -1.43 4.64 -1.59 -1.45 113.55 118.74 3gqw h SER 299 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gqw h SER 299 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3gqw h SER 299 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3gqw s TRP 301 N -3.13 3.04 -0.21 0.00 -0.11 -0.55 -4.28 118.94 113.71 3gqw s TRP 301 Ca 0.08 1.14 -0.04 0.00 1.22 0.00 0.00 56.10 58.50 3gqw s TRP 301 Cb 0.11 -3.67 -0.11 0.00 -1.50 0.00 0.00 33.47 28.30 3gqw s TRP 301 CO 0.41 -1.03 -0.22 -2.13 -4.62 0.00 0.00 176.95 169.36 3gqw n ARG 302 N 6.88 0.48 -3.85 5.86 0.63 0.39 -4.79 116.66 122.27 3gqw n ARG 302 Ca 0.13 0.15 -0.30 0.00 -0.92 0.00 0.00 57.85 56.91 3gqw n ARG 302 Cb 0.47 -1.34 -0.15 0.00 0.45 0.00 0.00 32.46 31.88 3gqw n ARG 302 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3gqw s VAL 303 N -2.40 1.35 -0.84 5.15 1.01 -0.94 -4.53 120.40 119.20 3gqw s VAL 303 Ca -0.28 -1.59 -0.15 0.00 0.00 0.00 0.00 61.98 59.96 3gqw s VAL 303 Cb 0.09 -1.93 0.20 0.00 0.00 0.00 0.00 36.38 34.74 3gqw s VAL 303 CO 0.43 -0.54 0.82 0.00 0.00 0.00 0.00 175.10 175.81 3gqw s ALA 304 N 1.40 3.97 0.07 5.51 0.00 0.01 -1.79 121.76 130.94 3gqw s ALA 304 Ca 0.07 -3.23 -0.21 0.00 0.00 0.00 0.00 51.96 48.59 3gqw s ALA 304 Cb -0.18 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.28 3gqw s ALA 304 CO -0.17 -2.38 0.63 0.20 0.00 0.00 0.00 175.76 174.04 3gqw s GLY 305 N 2.40 2.72 -0.07 0.00 0.00 0.00 -4.04 107.32 108.34 3gqw s GLY 305 Ca 0.20 0.12 0.05 0.00 0.00 0.00 0.00 44.72 45.09 3gqw s GLY 305 CO -0.09 0.65 -0.21 -0.42 0.00 0.00 0.00 173.10 173.03 3gqw s ILE 306 N -0.85 1.78 0.00 0.90 1.09 -1.26 -1.68 121.20 121.18 3gqw s ILE 306 Ca 0.31 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 3gqw s ILE 306 Cb -0.20 -1.53 0.00 0.00 -1.06 0.00 0.00 42.46 39.67 3gqw s ILE 306 CO 0.20 0.50 0.00 0.61 -0.10 0.00 0.00 174.94 176.15 3gqw n GLY 307 N 3.25 2.27 2.62 6.18 0.00 -1.13 -0.34 105.19 118.03 3gqw n GLY 307 Ca -0.19 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3gqw n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqw n ALA 308 N -3.00 0.00 -2.30 4.61 0.00 -1.26 -3.99 120.51 114.57 3gqw n ALA 308 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3gqw n ALA 308 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3gqw n ALA 308 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3gqw s GLU 309 N 0.00 0.68 -0.32 0.00 2.02 -1.26 -5.01 118.70 114.81 3gqw s GLU 309 Ca 0.00 -1.17 -0.43 0.00 0.02 0.00 0.00 54.97 53.39 3gqw s GLU 309 Cb 0.00 -0.06 -0.18 0.00 0.10 0.00 0.00 34.13 33.99 3gqw s GLU 309 CO 0.00 -0.04 1.56 -2.30 0.02 0.00 0.00 175.26 174.50 3gqw n PRO 310 N 0.33 0.48 -2.91 0.39 -0.02 -1.26 -4.77 135.00 127.24 3gqw n PRO 310 Ca -0.15 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.11 3gqw n PRO 310 Cb 0.60 -1.75 -0.06 0.00 -0.02 0.00 0.00 33.50 32.27 3gqw n PRO 310 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gqw s ILE 311 N 2.62 4.43 -0.48 4.25 1.01 -1.26 -4.91 121.20 126.87 3gqw s ILE 311 Ca 0.99 1.80 -0.15 0.00 0.00 0.00 0.00 60.65 63.29 3gqw s ILE 311 Cb -1.28 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 37.08 3gqw s ILE 311 CO 0.71 0.45 0.40 -0.55 0.00 0.00 0.00 174.94 175.95 3gqw s SER 312 N -0.73 6.14 0.45 3.58 0.15 -1.26 -4.58 113.70 117.46 3gqw s SER 312 Ca 0.39 -1.37 0.13 0.00 0.70 0.00 0.00 55.95 55.80 3gqw s SER 312 Cb -0.23 -2.18 1.03 0.00 -1.71 0.00 0.00 66.02 62.93 3gqw s SER 312 CO 0.27 -0.66 2.03 0.00 1.20 0.00 0.00 173.24 176.07 3gqw h ALA 313 N 8.76 1.75 -0.43 5.45 0.00 -1.96 -2.10 119.26 130.73 3gqw h ALA 313 Ca -0.28 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 3gqw h ALA 313 Cb 1.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3gqw h ALA 313 CO 0.89 0.19 -0.24 1.49 0.00 0.00 0.00 179.25 181.58 3gqw h GLU 314 N 0.08 0.93 -0.63 0.00 4.81 -1.97 -2.42 114.58 115.38 3gqw h GLU 314 Ca 0.02 -0.42 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 3gqw h GLU 314 Cb 0.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3gqw h GLU 314 CO 0.01 1.08 0.06 1.96 -0.73 0.00 0.00 179.01 181.39 3gqw h GLN 315 N 0.76 1.07 -0.05 1.92 4.20 -1.81 -2.04 115.11 119.15 3gqw h GLN 315 Ca 0.09 -0.30 -0.13 0.00 0.06 0.00 0.00 58.65 58.37 3gqw h GLN 315 Cb 0.81 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3gqw h GLN 315 CO 0.07 1.00 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.63 3gqw h LEU 316 N 0.99 0.17 -0.15 1.46 3.38 -1.42 -0.28 115.31 119.46 3gqw h LEU 316 Ca 0.19 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3gqw h LEU 316 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3gqw h LEU 316 CO 0.02 0.67 0.02 -0.74 0.09 0.00 0.00 178.44 178.50 3gqw h HIS 317 N 0.12 0.26 -0.82 1.13 2.76 -1.21 0.91 115.15 118.30 3gqw h HIS 317 Ca -0.00 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.21 3gqw h HIS 317 Cb 0.99 -0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.81 3gqw h HIS 317 CO 0.01 0.44 0.48 1.96 -1.30 0.00 0.00 177.93 179.51 3gqw h GLN 318 N 0.01 0.80 -0.47 5.26 4.20 -1.07 0.16 115.11 124.01 3gqw h GLN 318 Ca 0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3gqw h GLN 318 Cb 0.32 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3gqw h GLN 318 CO 0.00 0.53 0.23 0.35 -0.67 0.00 0.00 178.83 179.27 3gqw h PHE 319 N 0.83 0.67 -0.31 2.96 3.04 -0.87 -0.48 116.94 122.79 3gqw h PHE 319 Ca 0.38 -0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.30 3gqw h PHE 319 Cb 0.29 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 3gqw h PHE 319 CO -0.05 0.53 0.18 0.00 -2.02 0.00 0.00 178.31 176.95 3gqw h ALA 320 N 1.07 0.39 0.28 2.41 0.00 0.92 -1.47 119.26 122.86 3gqw h ALA 320 Ca 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3gqw h ALA 320 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gqw h ALA 320 CO -0.02 -0.10 -0.14 0.93 0.00 0.00 0.00 179.25 179.92 3gqw h GLU 321 N 0.39 -0.37 -1.05 0.00 4.39 -0.67 0.62 114.58 117.89 3gqw h GLU 321 Ca 0.11 0.03 0.27 0.00 0.34 0.00 0.00 59.36 60.11 3gqw h GLU 321 Cb 0.02 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.65 3gqw h GLU 321 CO -0.02 -0.20 0.67 0.00 -1.16 0.00 0.00 179.01 178.30 3gqw n PHE 323 N -4.67 0.08 -0.29 0.00 3.72 -0.58 -4.44 117.46 111.29 3gqw n PHE 323 Ca 0.26 -0.08 0.08 0.00 -0.05 0.00 0.00 57.45 57.66 3gqw n PHE 323 Cb 0.89 -0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.66 3gqw n PHE 323 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3gqw h ARG 324 N 2.21 0.55 0.00 -1.08 2.43 0.89 -2.14 114.38 117.24 3gqw h ARG 324 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3gqw h ARG 324 Cb 0.52 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3gqw h ARG 324 CO 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 179.97 178.82 3gqw n GLN 325 N -4.92 0.45 -0.65 0.20 10.64 -1.26 -1.05 117.38 120.80 3gqw n GLN 325 Ca 0.17 0.02 0.06 0.00 -1.83 0.00 0.00 57.00 55.43 3gqw n GLN 325 Cb 0.46 -1.50 0.17 0.00 -0.86 0.00 0.00 30.24 28.51 3gqw n GLN 325 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 3gqw n VAL 326 N -1.04 1.86 -1.56 -0.39 0.24 -0.82 -4.98 118.33 111.63 3gqw n VAL 326 Ca 0.11 -2.80 -0.06 0.00 -2.04 0.00 0.00 64.34 59.56 3gqw n VAL 326 Cb 0.06 -0.07 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3gqw n VAL 326 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3gqw n ASN 327 N -0.94 -3.17 -4.69 -1.34 4.13 -0.22 -0.69 115.26 108.35 3gqw n ASN 327 Ca 0.17 0.08 -0.42 0.00 1.68 0.00 0.00 54.58 56.09 3gqw n ASN 327 Cb 0.74 -1.75 -0.03 0.00 -1.54 0.00 0.00 39.78 37.20 3gqw n ASN 327 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3gqw s PHE 328 N -2.25 3.54 -0.41 3.10 5.36 -1.09 -2.15 117.98 124.08 3gqw s PHE 328 Ca 0.00 1.51 -0.14 0.00 -0.96 0.00 0.00 56.93 57.34 3gqw s PHE 328 Cb 0.00 -3.09 0.03 0.00 -0.34 0.00 0.00 43.02 39.62 3gqw s PHE 328 CO 0.00 -0.13 0.29 0.34 -1.46 0.00 0.00 175.22 174.25 3gqw s ASP 329 N 1.05 6.03 0.50 6.13 2.15 -1.26 -4.34 116.67 126.93 3gqw s ASP 329 Ca 0.46 -0.96 0.24 0.00 0.43 0.00 0.00 52.55 52.72 3gqw s ASP 329 Cb -0.19 -2.13 1.28 0.00 -0.30 0.00 0.00 42.92 41.58 3gqw s ASP 329 CO 0.19 -0.45 1.68 -0.55 -0.17 0.00 0.00 175.17 175.87 3gqw h ASN 330 N 8.60 0.00 0.87 -0.34 7.08 -1.95 0.12 115.58 129.96 3gqw h ASN 330 Ca -0.27 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.95 3gqw h ASN 330 Cb 1.12 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.36 3gqw h ASN 330 CO 0.73 0.00 0.00 0.29 -2.08 0.00 0.00 177.43 176.37 3gqw n LYS 331 N -2.52 0.18 0.20 4.14 4.76 -1.26 -2.50 118.16 121.16 3gqw n LYS 331 Ca -0.02 0.34 0.14 0.00 -2.87 0.00 0.00 58.31 55.91 3gqw n LYS 331 Cb 0.30 -1.80 0.50 0.00 -1.84 0.00 0.00 35.03 32.20 3gqw n LYS 331 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3gqw h THR 332 N 0.00 0.00 -2.59 -0.18 1.35 -0.98 -2.58 112.91 107.93 3gqw h THR 332 Ca 0.00 -0.51 -0.30 0.00 -0.55 0.00 0.00 66.41 65.05 3gqw h THR 332 Cb 0.44 1.43 0.18 0.00 -1.73 0.00 0.00 68.15 68.47 3gqw h THR 332 CO 0.00 0.00 -0.15 0.49 -0.25 0.00 0.00 175.52 175.61 3gqw n PHE 333 N -2.73 -3.38 -3.71 4.73 3.72 -1.04 -0.81 117.46 114.24 3gqw n PHE 333 Ca 0.02 -0.56 -0.11 0.00 -0.05 0.00 0.00 57.45 56.75 3gqw n PHE 333 Cb 0.34 -1.28 -0.11 0.00 -0.94 0.00 0.00 39.48 37.49 3gqw n PHE 333 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3gqw s PRO 335 N -4.55 0.35 0.19 -1.08 0.02 -1.26 -2.74 135.00 125.92 3gqw s PRO 335 Ca 0.56 0.71 0.00 0.00 0.02 0.00 0.00 61.00 62.29 3gqw s PRO 335 Cb -0.10 -0.04 -0.04 0.00 0.02 0.00 0.00 34.50 34.34 3gqw s PRO 335 CO 0.47 -0.16 0.07 0.00 -0.33 0.00 0.00 177.00 177.05 3gqw s TYR 337 N -3.92 0.52 -0.12 0.00 5.04 -0.52 -4.32 117.35 114.03 3gqw s TYR 337 Ca 0.31 -0.31 -0.33 0.00 -2.44 0.00 0.00 57.07 54.30 3gqw s TYR 337 Cb 0.07 -0.32 0.14 0.00 0.35 0.00 0.00 41.96 42.20 3gqw s TYR 337 CO 0.08 -0.06 1.36 0.20 -1.34 0.00 0.00 175.55 175.79 3gqw s GLY 338 N -0.91 -0.40 0.05 8.97 0.00 -1.26 -0.18 107.32 113.60 3gqw s GLY 338 Ca -0.05 1.14 -0.11 0.00 0.00 0.00 0.00 44.72 45.70 3gqw s GLY 338 CO 0.00 0.29 0.24 0.48 0.00 0.00 0.00 173.10 174.10 3gqw s LEU 339 N -2.72 1.18 0.48 0.66 2.34 -0.75 -4.85 118.68 115.03 3gqw s LEU 339 Ca 0.14 -0.36 0.16 0.00 0.06 0.00 0.00 54.13 54.12 3gqw s LEU 339 Cb 0.04 1.13 1.17 0.00 -0.56 0.00 0.00 46.19 47.98 3gqw s LEU 339 CO -0.05 -0.62 2.06 0.00 -1.06 0.00 0.00 176.35 176.68 3gqw h ALA 340 N 3.20 2.08 0.00 1.48 0.00 -1.81 -1.46 119.26 122.74 3gqw h ALA 340 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3gqw h ALA 340 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gqw h ALA 340 CO 0.49 -0.15 0.04 0.93 0.00 0.00 0.00 179.25 180.56 3gqw h GLU 341 N 0.19 0.00 -0.12 0.00 3.07 -1.95 0.15 114.58 115.93 3gqw h GLU 341 Ca 0.15 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 3gqw h GLU 341 Cb 0.37 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.22 3gqw h GLU 341 CO -0.03 0.00 -0.52 -1.71 -1.40 0.00 0.00 179.01 175.35 3gqw n ASN 342 N -2.45 2.18 0.00 1.42 4.05 -0.55 -4.64 115.26 115.27 3gqw n ASN 342 Ca -0.02 -3.88 0.00 0.00 0.45 0.00 0.00 54.58 51.13 3gqw n ASN 342 Cb 0.08 -0.51 0.00 0.00 1.23 0.00 0.00 39.78 40.58 3gqw n ASN 342 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gqw n ALA 343 N -1.07 0.00 -0.07 5.20 0.00 0.53 -4.16 120.51 120.95 3gqw n ALA 343 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3gqw n ALA 343 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 3gqw n ALA 343 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3gqw n LEU 344 N 0.00 0.00 -4.90 0.00 0.00 -1.22 -4.52 117.00 106.36 3gqw n LEU 344 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 56.01 55.68 3gqw n LEU 344 Cb 0.00 0.47 -0.05 0.00 0.00 0.00 0.00 43.42 43.84 3gqw n LEU 344 CO 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 177.39 176.83 3gqw s ALA 345 N -1.00 3.91 0.00 1.96 0.00 -1.26 -1.80 121.76 123.57 3gqw s ALA 345 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3gqw s ALA 345 Cb 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3gqw s ALA 345 CO 0.00 0.72 0.00 0.28 0.00 0.00 0.00 175.76 176.76 3gqw n VAL 346 N 0.72 0.00 -3.63 0.00 0.31 0.75 -4.86 118.33 111.61 3gqw n VAL 346 Ca -0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.12 3gqw n VAL 346 Cb 0.52 -0.48 -0.06 0.00 -0.91 0.00 0.00 33.84 32.92 3gqw n VAL 346 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gqw s SER 347 N -3.94 -0.31 -0.03 4.52 1.04 -0.86 -3.89 113.70 110.23 3gqw s SER 347 Ca 0.00 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.40 3gqw s SER 347 Cb 0.00 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3gqw s SER 347 CO 0.00 -0.73 -0.03 -0.36 0.98 0.00 0.00 173.24 173.10 3gqw s PHE 348 N -2.82 0.51 0.86 5.02 0.40 -0.79 -1.44 117.98 119.71 3gqw s PHE 348 Ca -0.03 -0.10 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 3gqw s PHE 348 Cb -0.00 -0.46 0.07 0.00 0.51 0.00 0.00 43.02 43.13 3gqw s PHE 348 CO -0.05 -0.11 0.87 0.45 0.70 0.00 0.00 175.22 177.07 3gqw n SER 349 N 3.75 -0.34 -4.67 1.36 2.88 -0.17 -3.90 113.62 112.53 3gqw n SER 349 Ca -0.22 0.48 -0.36 0.00 -1.33 0.00 0.00 58.87 57.44 3gqw n SER 349 Cb 0.53 -1.37 0.09 0.00 -0.75 0.00 0.00 64.21 62.71 3gqw n SER 349 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gqw n ASP 350 N -2.51 1.11 -4.76 -3.46 8.00 -1.26 -4.88 116.55 108.78 3gqw n ASP 350 Ca 0.11 0.70 -0.41 0.00 0.71 0.00 0.00 54.79 55.89 3gqw n ASP 350 Cb 0.52 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.13 3gqw n ASP 350 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3gqw s GLU 351 N -3.54 4.14 -1.34 -1.24 2.12 -1.26 -2.59 118.70 114.99 3gqw s GLU 351 Ca 0.76 2.53 -0.02 0.00 0.36 0.00 0.00 54.97 58.61 3gqw s GLU 351 Cb -0.34 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.05 3gqw s GLU 351 CO 0.47 -0.55 0.12 0.00 -0.54 0.00 0.00 175.26 174.76 3gqw n ALA 352 N 1.39 -0.79 0.04 6.30 0.00 -1.26 -4.86 120.51 121.33 3gqw n ALA 352 Ca 0.05 0.14 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 3gqw n ALA 352 Cb 0.39 -2.09 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 3gqw n ALA 352 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gqw h SER 353 N -0.26 0.49 -2.96 0.00 4.64 -1.47 -3.47 113.55 110.53 3gqw h SER 353 Ca -0.39 -0.88 0.03 0.00 -0.47 0.00 0.00 61.79 60.08 3gqw h SER 353 Cb 1.28 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3gqw h SER 353 CO 0.46 1.77 -0.04 0.61 -0.87 0.00 0.00 176.83 178.76 3gqw n GLY 354 N 1.90 -1.72 3.64 -0.77 0.00 -0.98 -4.71 105.19 102.55 3gqw n GLY 354 Ca -0.27 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 3gqw n GLY 354 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqw s VAL 355 N -0.27 4.04 -0.14 1.61 1.01 -1.26 -4.81 120.40 120.57 3gqw s VAL 355 Ca 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.12 3gqw s VAL 355 Cb 0.00 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3gqw s VAL 355 CO 0.00 -0.27 0.11 -0.69 0.00 0.00 0.00 175.10 174.25 3gqw s VAL 356 N 4.20 5.20 0.14 2.92 1.01 -1.26 -5.03 120.40 127.58 3gqw s VAL 356 Ca 0.61 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.77 3gqw s VAL 356 Cb -0.22 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3gqw s VAL 356 CO 0.22 0.55 -0.18 0.68 0.00 0.00 0.00 175.10 176.37 3gqw s VAL 357 N -0.46 1.66 -0.19 2.92 -7.23 -1.26 0.30 120.40 116.15 3gqw s VAL 357 Ca 0.11 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 3gqw s VAL 357 Cb -0.12 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.16 3gqw s VAL 357 CO 0.02 -0.28 -0.18 0.21 -0.31 0.00 0.00 175.10 174.56 3gqw s ASN 358 N -2.44 3.23 0.12 4.85 3.04 -0.43 -4.90 114.94 118.42 3gqw s ASN 358 Ca 0.12 -0.72 -0.19 0.00 0.04 0.00 0.00 52.86 52.11 3gqw s ASN 358 Cb -0.06 -1.44 -0.07 0.00 -1.54 0.00 0.00 41.25 38.14 3gqw s ASN 358 CO 0.05 -0.04 0.60 -1.61 -3.04 0.00 0.00 177.10 173.07 3gqw s GLU 359 N 1.30 4.19 -0.00 0.43 2.02 -1.26 -2.22 118.70 123.15 3gqw s GLU 359 Ca 0.03 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.75 3gqw s GLU 359 Cb -0.14 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 30.98 3gqw s GLU 359 CO -0.12 0.56 0.00 0.14 0.02 0.00 0.00 175.26 175.87 3gqw s VAL 360 N -1.25 -0.01 -0.37 2.63 -7.23 -0.33 -4.16 120.40 109.68 3gqw s VAL 360 Ca 0.33 0.03 -0.31 0.00 -1.81 0.00 0.00 61.98 60.22 3gqw s VAL 360 Cb -0.18 -0.02 -0.09 0.00 0.56 0.00 0.00 36.38 36.65 3gqw s VAL 360 CO 0.20 0.01 2.27 -0.67 -0.31 0.00 0.00 175.10 176.60 3gqw n ASP 361 N 3.23 2.43 -0.27 4.85 -0.08 -0.17 -1.74 116.55 124.80 3gqw n ASP 361 Ca -0.14 0.16 0.02 0.00 -1.51 0.00 0.00 54.79 53.32 3gqw n ASP 361 Cb 0.59 -1.40 0.15 0.00 2.34 0.00 0.00 41.12 42.80 3gqw n ASP 361 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3gqw h ARG 362 N 14.57 0.71 -0.74 -0.67 2.43 -1.69 -2.08 114.38 126.91 3gqw h ARG 362 Ca -0.30 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3gqw h ARG 362 Cb 1.28 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 3gqw h ARG 362 CO 1.05 0.47 0.32 -0.44 -1.51 0.00 0.00 179.97 179.86 3gqw h ASP 363 N 0.74 0.97 0.16 -3.80 3.32 -1.87 -0.62 116.42 115.31 3gqw h ASP 363 Ca 0.37 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 3gqw h ASP 363 Cb 0.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3gqw h ASP 363 CO -0.24 0.85 -0.34 0.40 -1.72 0.00 0.00 179.24 178.18 3gqw h ILE 364 N 1.05 1.28 -0.11 0.35 2.04 -1.70 -1.67 117.51 118.76 3gqw h ILE 364 Ca 0.25 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 3gqw h ILE 364 Cb 0.15 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3gqw h ILE 364 CO -0.03 0.41 -0.01 0.25 0.00 0.00 0.00 178.15 178.77 3gqw h LEU 365 N 0.24 0.21 -0.99 1.44 5.85 -0.82 0.37 115.31 121.61 3gqw h LEU 365 Ca 0.03 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 3gqw h LEU 365 Cb 0.72 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3gqw h LEU 365 CO 0.06 0.50 -0.29 -0.33 -0.34 0.00 0.00 178.44 178.04 3gqw h GLU 366 N -0.09 0.38 0.00 1.25 5.08 -1.02 -1.63 114.58 118.56 3gqw h GLU 366 Ca 0.03 -0.15 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 3gqw h GLU 366 Cb 0.40 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3gqw h GLU 366 CO 0.01 0.64 -2.18 0.66 -1.00 0.00 0.00 179.01 177.14 3gqw n TYR 367 N -4.11 0.00 0.00 4.33 4.02 -0.64 -1.02 117.16 119.75 3gqw n TYR 367 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 3gqw n TYR 367 Cb 0.42 -0.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 3gqw n TYR 367 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3gqw n GLN 368 N -2.52 5.05 -1.50 -0.72 6.02 0.13 -4.88 117.38 118.96 3gqw n GLN 368 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.67 3gqw n GLN 368 Cb 0.89 -0.51 -0.04 0.00 1.02 0.00 0.00 30.24 31.59 3gqw n GLN 368 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqw n GLY 369 N 1.07 1.06 3.52 1.08 0.00 -0.61 -4.98 105.19 106.32 3gqw n GLY 369 Ca 0.00 -0.46 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 3gqw n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqw s LYS 370 N -3.29 2.24 -0.44 1.61 1.02 -1.24 -1.86 119.74 117.77 3gqw s LYS 370 Ca 0.00 -0.90 -0.16 0.00 0.02 0.00 0.00 55.97 54.93 3gqw s LYS 370 Cb 0.00 -2.30 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 3gqw s LYS 370 CO 0.00 0.56 0.38 0.00 -0.92 0.00 0.00 175.35 175.36 3gqw s ALA 371 N -0.98 3.50 0.21 5.17 0.00 0.24 -3.22 121.76 126.68 3gqw s ALA 371 Ca 0.16 -1.87 0.11 0.00 0.00 0.00 0.00 51.96 50.36 3gqw s ALA 371 Cb -0.11 -3.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.95 3gqw s ALA 371 CO 0.07 -1.63 -0.22 0.14 0.00 0.00 0.00 175.76 174.12 3gqw s VAL 372 N 1.77 2.42 0.40 0.00 -7.23 -1.26 -4.81 120.40 111.69 3gqw s VAL 372 Ca 0.06 -2.08 -0.26 0.00 -1.81 0.00 0.00 61.98 57.89 3gqw s VAL 372 Cb -0.21 -2.18 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 3gqw s VAL 372 CO 0.09 -0.17 1.30 0.00 -0.31 0.00 0.00 175.10 176.02 3gqw s ALA 373 N -1.82 3.28 0.14 1.32 0.00 -1.26 -1.00 121.76 122.42 3gqw s ALA 373 Ca 0.23 1.24 -0.31 0.00 0.00 0.00 0.00 51.96 53.12 3gqw s ALA 373 Cb -0.07 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 3gqw s ALA 373 CO 0.11 -0.82 1.37 -1.25 0.00 0.00 0.00 175.76 175.17 3gqw s PRO 374 N -2.21 4.34 0.00 0.00 0.04 -1.26 -4.51 135.00 131.39 3gqw s PRO 374 Ca 0.56 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3gqw s PRO 374 Cb -0.38 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3gqw s PRO 374 CO 0.49 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.56 3gqw n GLY 375 N 3.19 0.26 0.05 0.56 0.00 -1.26 -4.99 105.19 102.99 3gqw n GLY 375 Ca 0.10 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 3gqw n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqw n ALA 376 N -3.00 1.77 0.87 4.61 0.00 -1.26 -4.50 120.51 119.00 3gqw n ALA 376 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3gqw n ALA 376 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3gqw n ALA 376 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3gqw n GLU 377 N -2.74 0.87 -3.24 0.00 0.28 -1.26 -4.82 120.64 109.74 3gqw n GLU 377 Ca -0.18 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.42 3gqw n GLU 377 Cb 0.71 -1.24 -0.07 0.00 1.43 0.00 0.00 31.44 32.28 3gqw n GLU 377 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3gqw s THR 378 N -0.41 5.09 -0.05 3.84 2.01 -1.26 -5.01 115.64 119.86 3gqw s THR 378 Ca 0.00 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 62.94 3gqw s THR 378 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 3gqw s THR 378 CO 0.00 0.16 0.13 0.03 -0.69 0.00 0.00 174.62 174.25 3gqw h ARG 379 N 7.53 -0.07 -6.51 4.92 3.08 -1.98 -3.48 114.38 117.87 3gqw h ARG 379 Ca -0.33 0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.07 3gqw h ARG 379 Cb 1.15 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 31.07 3gqw h ARG 379 CO 0.74 -0.05 -0.72 0.00 -1.07 0.00 0.00 179.97 178.87 3gqw s ALA 380 N -2.94 3.01 -0.03 0.04 0.00 -1.26 -5.08 121.76 115.50 3gqw s ALA 380 Ca -0.01 -1.25 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3gqw s ALA 380 Cb 0.00 -0.92 0.01 0.00 0.00 0.00 0.00 23.12 22.21 3gqw s ALA 380 CO 0.03 0.63 -0.07 0.08 0.00 0.00 0.00 175.76 176.43 3gqw s VAL 381 N -1.29 0.68 -0.02 0.00 1.01 -1.26 -1.84 120.40 117.68 3gqw s VAL 381 Ca 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 3gqw s VAL 381 Cb -0.11 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3gqw s VAL 381 CO 0.15 0.23 0.08 -0.44 0.00 0.00 0.00 175.10 175.12 3gqw s SER 382 N 0.44 5.67 -0.26 3.32 0.01 -0.71 -4.85 113.70 117.33 3gqw s SER 382 Ca -0.07 0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.38 3gqw s SER 382 Cb -0.11 -1.63 0.06 0.00 0.21 0.00 0.00 66.02 64.55 3gqw s SER 382 CO 0.01 0.29 -0.10 -0.89 0.41 0.00 0.00 173.24 172.95 3gqw s THR 383 N -1.16 2.08 -0.09 1.44 2.01 -1.26 -1.19 115.64 117.47 3gqw s THR 383 Ca 0.22 -1.58 -0.05 0.00 0.31 0.00 0.00 61.69 60.59 3gqw s THR 383 Cb -0.12 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 3gqw s THR 383 CO 0.12 -0.04 0.11 -0.36 -0.69 0.00 0.00 174.62 173.77 3gqw s PHE 384 N 1.14 3.48 0.07 4.92 0.08 -0.94 -4.83 117.98 121.91 3gqw s PHE 384 Ca -0.09 0.42 -0.27 0.00 0.12 0.00 0.00 56.93 57.11 3gqw s PHE 384 Cb -0.20 -1.88 -0.06 0.00 -0.57 0.00 0.00 43.02 40.32 3gqw s PHE 384 CO -0.05 0.66 0.86 0.08 -0.10 0.00 0.00 175.22 176.67 3gqw s VAL 385 N -1.06 4.63 -0.11 -0.44 1.01 -1.26 -1.31 120.40 121.86 3gqw s VAL 385 Ca 0.17 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.70 3gqw s VAL 385 Cb -0.12 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3gqw s VAL 385 CO 0.06 0.34 1.52 0.21 0.00 0.00 0.00 175.10 177.23 3gqw s ASN 386 N -0.00 6.73 0.00 3.32 3.84 0.15 -4.35 114.94 124.63 3gqw s ASN 386 Ca 0.43 2.00 0.21 0.00 0.21 0.00 0.00 52.86 55.70 3gqw s ASN 386 Cb -0.22 -2.53 0.36 0.00 -0.55 0.00 0.00 41.25 38.31 3gqw s ASN 386 CO 0.26 -0.90 1.31 0.00 -2.79 0.00 0.00 177.10 174.98 3gqw n GLY 388 N 1.29 0.46 3.99 0.00 0.00 -1.25 -1.89 105.19 107.77 3gqw n GLY 388 Ca 0.17 -2.06 -0.19 0.00 0.00 0.00 0.00 46.02 43.94 3gqw n GLY 388 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqw s LYS 389 N -1.20 3.09 0.72 1.61 1.02 -1.26 -0.63 119.74 123.09 3gqw s LYS 389 Ca 0.00 -0.93 -0.16 0.00 0.02 0.00 0.00 55.97 54.89 3gqw s LYS 389 Cb 0.00 -2.77 -0.06 0.00 -0.52 0.00 0.00 37.83 34.48 3gqw s LYS 389 CO 0.00 -0.02 0.39 0.00 -0.92 0.00 0.00 175.35 174.81 3gqw n ALA 390 N -1.73 -1.87 -1.97 5.17 0.00 -1.26 -4.34 120.51 114.50 3gqw n ALA 390 Ca 0.01 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 3gqw n ALA 390 Cb 0.58 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 18.19 3gqw n ALA 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gqw s LEU 391 N 0.73 4.03 0.10 0.00 1.43 -1.25 -4.95 118.68 118.77 3gqw s LEU 391 Ca 0.63 1.51 -0.35 0.00 -1.03 0.00 0.00 54.13 54.89 3gqw s LEU 391 Cb -0.35 -4.27 -0.15 0.00 0.03 0.00 0.00 46.19 41.45 3gqw s LEU 391 CO 0.60 -0.26 1.49 -2.65 0.23 0.00 0.00 176.35 175.76 3gqw n PRO 392 N -0.39 1.67 -0.73 1.29 -0.02 -1.26 0.14 135.00 135.70 3gqw n PRO 392 Ca 0.05 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3gqw n PRO 392 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3gqw n PRO 392 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gqw n GLU 393 N 3.23 0.00 -4.38 -0.52 1.02 -1.26 -4.99 120.64 113.74 3gqw n GLU 393 Ca 0.18 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.06 3gqw n GLU 393 Cb 0.24 -1.86 -0.12 0.00 -0.02 0.00 0.00 31.44 29.68 3gqw n GLU 393 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3gqw s HIS 394 N -3.35 2.18 0.04 -0.32 3.76 0.12 -4.26 115.29 113.47 3gqw s HIS 394 Ca 0.00 -0.39 0.08 0.00 -0.15 0.00 0.00 55.06 54.60 3gqw s HIS 394 Cb 0.00 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 3gqw s HIS 394 CO 0.00 0.39 -0.22 0.20 -0.85 0.00 0.00 174.74 174.25 3gqw s GLY 395 N -2.37 1.19 -0.11 -2.22 0.00 -0.82 -4.27 107.32 98.72 3gqw s GLY 395 Ca 0.16 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3gqw s GLY 395 CO 0.07 -1.01 -0.17 -0.42 0.00 0.00 0.00 173.10 171.58 3gqw s ILE 396 N -0.78 1.58 -0.01 0.90 1.01 -1.26 -1.62 121.20 121.03 3gqw s ILE 396 Ca 0.09 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.06 3gqw s ILE 396 Cb -0.09 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3gqw s ILE 396 CO 0.02 0.46 -0.09 -0.70 0.00 0.00 0.00 174.94 174.63 3gqw s GLU 397 N 0.88 0.71 -0.43 2.79 2.12 -0.06 -4.98 118.70 119.74 3gqw s GLU 397 Ca -0.09 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 54.77 3gqw s GLU 397 Cb -0.15 -0.68 0.03 0.00 0.26 0.00 0.00 34.13 33.58 3gqw s GLU 397 CO -0.00 0.18 0.39 0.42 -0.54 0.00 0.00 175.26 175.71 3gqw s ILE 398 N -0.19 5.16 0.20 -3.70 -1.09 -1.26 -0.09 121.20 120.23 3gqw s ILE 398 Ca 0.03 -0.54 0.08 0.00 -2.23 0.00 0.00 60.65 57.99 3gqw s ILE 398 Cb -0.04 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3gqw s ILE 398 CO -0.00 -0.41 0.02 -0.13 -1.23 0.00 0.00 174.94 173.18 3gqw s ARG 399 N 1.94 2.43 0.00 2.79 0.52 -0.49 -0.29 118.95 125.84 3gqw s ARG 399 Ca 0.09 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 3gqw s ARG 399 Cb -0.19 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 32.95 3gqw s ARG 399 CO 0.11 0.43 0.00 0.27 0.02 0.00 0.00 175.30 176.13 3gqw n ASN 400 N -0.41 0.00 -0.08 0.23 0.23 -1.26 0.41 115.26 114.37 3gqw n ASN 400 Ca -0.09 -0.96 -0.11 0.00 -0.53 0.00 0.00 54.58 52.89 3gqw n ASN 400 Cb 0.56 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.28 3gqw n ASN 400 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3gqw h GLU 401 N 0.00 0.82 0.00 -3.83 4.81 -1.99 -2.18 114.58 112.20 3gqw h GLU 401 Ca 0.00 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3gqw h GLU 401 Cb 0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3gqw h GLU 401 CO 0.00 1.06 -0.03 0.00 -0.73 0.00 0.00 179.01 179.31 3gqw h ALA 402 N 0.88 1.56 0.00 2.92 0.00 -2.06 -3.53 119.26 119.03 3gqw h ALA 402 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gqw h ALA 402 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3gqw h ALA 402 CO 0.09 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3gqw n GLY 403 N -1.23 0.70 3.39 0.00 0.00 -0.82 -5.24 105.19 101.99 3gqw n GLY 403 Ca -0.03 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 3gqw n GLY 403 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gqw s PRO 405 N -0.24 2.42 0.15 1.61 0.02 -1.26 -4.68 135.00 133.03 3gqw s PRO 405 Ca 0.00 -0.80 0.09 0.00 0.02 0.00 0.00 61.00 60.31 3gqw s PRO 405 Cb 0.00 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 3gqw s PRO 405 CO 0.00 0.55 -0.13 0.14 -0.33 0.00 0.00 177.00 177.24 3gqw s VAL 406 N -0.57 3.07 0.87 3.83 -7.23 0.60 -4.89 120.40 116.08 3gqw s VAL 406 Ca 0.08 -1.59 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 3gqw s VAL 406 Cb -0.11 -2.48 0.11 0.00 0.56 0.00 0.00 36.38 34.46 3gqw s VAL 406 CO 0.01 -0.03 1.09 0.00 -0.31 0.00 0.00 175.10 175.86 3gqw n ALA 407 N 0.34 -0.68 -1.62 1.32 0.00 -1.26 -4.77 120.51 113.83 3gqw n ALA 407 Ca -0.12 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 3gqw n ALA 407 Cb 0.54 -2.17 0.05 0.00 0.00 0.00 0.00 19.45 17.87 3gqw n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gqw n GLU 408 N -3.55 0.94 0.00 0.00 1.02 -1.26 -2.05 120.64 115.74 3gqw n GLU 408 Ca 0.12 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3gqw n GLU 408 Cb 0.51 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3gqw n GLU 408 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gqw n ARG 409 N -1.00 0.00 -2.88 3.49 1.74 -0.20 -4.96 116.66 112.85 3gqw n ARG 409 Ca 0.14 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 3gqw n ARG 409 Cb 0.47 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 3gqw n ARG 409 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3gqw s VAL 410 N -2.33 4.77 0.19 1.55 1.01 -0.87 -0.60 120.40 124.13 3gqw s VAL 410 Ca 0.00 1.79 -0.27 0.00 0.00 0.00 0.00 61.98 63.50 3gqw s VAL 410 Cb 0.00 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3gqw s VAL 410 CO 0.00 0.28 0.83 -0.69 0.00 0.00 0.00 175.10 175.53 3gqw s VAL 411 N 0.37 4.26 0.01 2.92 1.01 -0.78 -4.52 120.40 123.69 3gqw s VAL 411 Ca 0.43 1.83 -0.01 0.00 0.00 0.00 0.00 61.98 64.23 3gqw s VAL 411 Cb -0.21 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.98 3gqw s VAL 411 CO 0.25 0.51 0.06 0.61 0.00 0.00 0.00 175.10 176.53 3gqw n GLY 412 N 1.53 1.42 3.68 4.51 0.00 -0.34 -4.93 105.19 111.05 3gqw n GLY 412 Ca -0.04 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 3gqw n GLY 412 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gqw s HIS 413 N -6.42 3.04 -0.13 1.61 3.76 0.17 -1.58 115.29 115.74 3gqw s HIS 413 Ca 0.01 1.12 -0.29 0.00 -0.15 0.00 0.00 55.06 55.75 3gqw s HIS 413 Cb -0.00 -3.46 -0.03 0.00 1.11 0.00 0.00 32.58 30.20 3gqw s HIS 413 CO 0.00 -1.51 1.35 0.42 -0.85 0.00 0.00 174.74 174.15 3gqw s ILE 414 N 2.72 4.11 -0.06 0.60 1.01 0.56 -1.40 121.20 128.73 3gqw s ILE 414 Ca 0.56 1.35 0.05 0.00 0.00 0.00 0.00 60.65 62.61 3gqw s ILE 414 Cb -0.24 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3gqw s ILE 414 CO 0.19 -0.11 -0.22 0.00 0.00 0.00 0.00 174.94 174.81 3gqw s ILE 416 N -0.28 1.79 0.18 0.00 -4.36 0.23 -0.88 121.20 117.89 3gqw s ILE 416 Ca 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 3gqw s ILE 416 Cb -0.13 -1.58 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 3gqw s ILE 416 CO 0.03 0.15 0.05 -0.94 0.24 0.00 0.00 174.94 174.47 3gqw s SER 417 N -1.45 0.79 0.00 4.36 1.04 -0.64 -0.78 113.70 117.02 3gqw s SER 417 Ca 0.08 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.26 3gqw s SER 417 Cb -0.09 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3gqw s SER 417 CO 0.03 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3gqw n GLY 418 N -0.24 2.45 0.29 7.32 0.00 -1.26 -1.95 105.19 111.80 3gqw n GLY 418 Ca -0.04 -1.97 0.18 0.00 0.00 0.00 0.00 46.02 44.19 3gqw n GLY 418 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gqw h PRO 419 N 0.00 0.00 0.00 1.61 0.11 -1.97 -2.40 132.00 129.36 3gqw h PRO 419 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gqw h PRO 419 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gqw h PRO 419 CO 0.00 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.26 3gqw n SER 420 N -3.22 0.00 -3.29 -2.05 7.64 -1.26 -4.32 113.62 107.11 3gqw n SER 420 Ca -0.01 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.96 3gqw n SER 420 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3gqw n SER 420 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3gqw n LEU 421 N -1.00 0.00 -0.00 -3.43 7.94 -0.91 -3.40 117.00 116.20 3gqw n LEU 421 Ca 0.22 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 55.16 3gqw n LEU 421 Cb 0.10 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 3gqw n LEU 421 CO 0.16 -0.14 -0.41 -1.20 -1.11 0.00 0.00 177.39 174.70 3gqw n SER 423 N 0.00 2.18 0.00 1.96 7.64 -1.12 -4.88 113.62 119.40 3gqw n SER 423 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 3gqw n SER 423 Cb 0.00 1.26 0.00 0.00 -1.01 0.00 0.00 64.21 64.46 3gqw n SER 423 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gqw n GLY 424 N 1.75 0.81 3.85 0.23 0.00 -1.26 -4.07 105.19 106.50 3gqw n GLY 424 Ca -0.01 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 3gqw n GLY 424 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqw s TYR 425 N -1.52 3.68 0.17 1.61 2.02 -1.26 -1.13 117.35 120.92 3gqw s TYR 425 Ca 0.00 0.85 -0.31 0.00 -0.37 0.00 0.00 57.07 57.24 3gqw s TYR 425 Cb 0.00 -2.18 -0.10 0.00 -0.40 0.00 0.00 41.96 39.28 3gqw s TYR 425 CO 0.00 0.65 1.54 0.12 -1.57 0.00 0.00 175.55 176.30 3gqw s PHE 426 N -1.11 3.07 0.00 2.71 5.36 0.48 -1.84 117.98 126.65 3gqw s PHE 426 Ca 0.23 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 3gqw s PHE 426 Cb -0.15 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 3gqw s PHE 426 CO 0.12 -3.28 0.00 0.41 -1.46 0.00 0.00 175.22 171.00 3gqw n GLY 427 N 3.55 1.62 3.15 13.12 0.00 -1.26 -4.68 105.19 120.69 3gqw n GLY 427 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3gqw n GLY 427 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqw s ASP 428 N -3.30 5.43 0.05 1.61 -1.08 -0.77 -4.98 116.67 113.63 3gqw s ASP 428 Ca 0.00 -2.04 -0.17 0.00 -0.52 0.00 0.00 52.55 49.82 3gqw s ASP 428 Cb 0.00 -1.90 -0.19 0.00 -1.46 0.00 0.00 42.92 39.37 3gqw s ASP 428 CO 0.00 -0.59 1.22 -0.61 0.52 0.00 0.00 175.17 175.71 3gqw h GLN 429 N 8.14 0.55 -0.83 4.34 5.75 -1.94 -3.16 115.11 127.95 3gqw h GLN 429 Ca -0.15 -0.47 0.02 0.00 -0.15 0.00 0.00 58.65 57.90 3gqw h GLN 429 Cb 1.05 0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.66 3gqw h GLN 429 CO 0.76 1.10 0.54 0.28 -2.65 0.00 0.00 178.83 178.86 3gqw h VAL 430 N 0.16 1.17 -0.82 2.39 2.07 -1.95 0.13 116.25 119.40 3gqw h VAL 430 Ca -0.05 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.18 3gqw h VAL 430 Cb 1.23 -0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3gqw h VAL 430 CO 0.12 0.20 0.48 0.77 0.02 0.00 0.00 177.57 179.15 3gqw h SER 431 N 1.08 0.71 0.21 0.57 4.64 -1.92 0.01 113.55 118.85 3gqw h SER 431 Ca 0.32 0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.50 3gqw h SER 431 Cb -0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.92 3gqw h SER 431 CO -0.09 0.43 -0.66 1.56 -0.87 0.00 0.00 176.83 177.20 3gqw h GLN 432 N 0.83 0.42 -0.19 4.77 4.20 -1.27 -2.85 115.11 121.03 3gqw h GLN 432 Ca 0.38 -0.31 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 3gqw h GLN 432 Cb 0.29 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3gqw h GLN 432 CO -0.22 0.93 -0.55 -0.44 -0.67 0.00 0.00 178.83 177.88 3gqw h ASP 433 N 0.30 0.63 0.03 1.46 3.32 -0.07 -2.81 116.42 119.29 3gqw h ASP 433 Ca -0.02 -0.34 -0.19 0.00 0.02 0.00 0.00 57.03 56.50 3gqw h ASP 433 Cb 1.21 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3gqw h ASP 433 CO 0.11 1.05 -0.70 -0.33 -1.72 0.00 0.00 179.24 177.66 3gqw h GLU 434 N 0.43 0.60 0.00 3.56 5.08 -1.00 -1.43 114.58 121.82 3gqw h GLU 434 Ca 0.01 -0.46 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 3gqw h GLU 434 Cb 1.10 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3gqw h GLU 434 CO 0.10 1.08 -0.21 0.82 -1.00 0.00 0.00 179.01 179.80 3gqw h ILE 435 N 0.43 0.51 -0.08 3.13 2.04 -1.52 -1.17 117.51 120.85 3gqw h ILE 435 Ca -0.03 -1.12 -0.10 0.00 1.00 0.00 0.00 64.86 64.61 3gqw h ILE 435 Cb 1.29 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 3gqw h ILE 435 CO 0.13 0.21 -0.36 0.00 0.00 0.00 0.00 178.15 178.13 3gqw h ALA 436 N 1.79 0.14 -0.47 1.87 0.00 -1.39 -2.26 119.26 118.94 3gqw h ALA 436 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3gqw h ALA 436 Cb 0.77 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3gqw h ALA 436 CO 0.03 0.23 0.11 0.00 0.00 0.00 0.00 179.25 179.61 3gqw h ALA 437 N 0.44 1.30 0.00 0.00 0.00 -0.81 -3.37 119.26 116.81 3gqw h ALA 437 Ca -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gqw h ALA 437 Cb 1.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gqw h ALA 437 CO 0.07 0.49 -1.02 0.25 0.00 0.00 0.00 179.25 179.04 3gqw n THR 438 N -4.29 0.01 -1.42 0.00 -2.24 -0.48 -5.00 114.28 100.86 3gqw n THR 438 Ca 0.03 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.66 3gqw n THR 438 Cb 0.22 -0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 3gqw n THR 438 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqw n GLY 439 N 2.75 1.46 3.21 3.38 0.00 -0.85 -4.99 105.19 110.15 3gqw n GLY 439 Ca -0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 3gqw n GLY 439 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gqw s TRP 440 N -2.45 1.91 0.01 1.61 0.52 -1.26 -4.25 118.94 115.03 3gqw s TRP 440 Ca 0.00 -0.44 0.08 0.00 0.02 0.00 0.00 56.10 55.76 3gqw s TRP 440 Cb 0.00 -1.25 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 3gqw s TRP 440 CO 0.00 -0.09 -0.24 -1.17 0.02 0.00 0.00 176.95 175.46 3gqw s LEU 441 N -0.31 2.11 -0.43 2.99 2.96 0.04 -4.75 118.68 121.29 3gqw s LEU 441 Ca 0.03 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 3gqw s LEU 441 Cb -0.10 -1.21 0.04 0.00 0.50 0.00 0.00 46.19 45.42 3gqw s LEU 441 CO 0.01 0.26 0.33 -0.62 -1.32 0.00 0.00 176.35 175.01 3gqw s ASP 442 N -0.91 6.12 0.31 3.68 -1.08 -1.26 -0.60 116.67 122.93 3gqw s ASP 442 Ca 0.10 -1.05 0.22 0.00 -0.52 0.00 0.00 52.55 51.30 3gqw s ASP 442 Cb -0.09 -2.17 1.12 0.00 -1.46 0.00 0.00 42.92 40.32 3gqw s ASP 442 CO 0.01 -0.52 1.68 0.35 0.52 0.00 0.00 175.17 177.21 3gqw n THR 443 N 5.18 0.97 -1.13 1.71 -2.24 -1.00 -4.84 114.28 112.92 3gqw n THR 443 Ca -0.12 0.58 -0.04 0.00 -2.27 0.00 0.00 64.05 62.20 3gqw n THR 443 Cb 0.46 -1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.11 3gqw n THR 443 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqw n GLY 444 N -0.88 0.71 3.62 3.38 0.00 -1.26 -5.03 105.19 105.73 3gqw n GLY 444 Ca -0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 3gqw n GLY 444 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqw s ASP 445 N -2.64 4.92 0.27 1.61 1.01 -1.26 -1.64 116.67 118.94 3gqw s ASP 445 Ca 0.00 0.05 -0.06 0.00 0.71 0.00 0.00 52.55 53.25 3gqw s ASP 445 Cb 0.00 -1.33 -0.06 0.00 1.01 0.00 0.00 42.92 42.54 3gqw s ASP 445 CO 0.00 0.36 0.55 -0.76 0.21 0.00 0.00 175.17 175.53 3gqw s LEU 446 N -0.79 4.08 0.00 1.23 1.43 0.18 -0.33 118.68 124.49 3gqw s LEU 446 Ca 0.12 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3gqw s LEU 446 Cb -0.11 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3gqw s LEU 446 CO 0.02 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.04 3gqw n GLY 447 N -0.71 -1.40 3.37 -3.19 0.00 -0.61 -1.54 105.19 101.10 3gqw n GLY 447 Ca -0.01 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 3gqw n GLY 447 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gqw s TYR 448 N -2.65 -0.05 -0.09 1.61 1.13 -0.72 -1.20 117.35 115.38 3gqw s TYR 448 Ca 0.00 -0.29 -0.02 0.00 -1.41 0.00 0.00 57.07 55.34 3gqw s TYR 448 Cb 0.00 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 41.05 3gqw s TYR 448 CO 0.00 -0.76 0.01 -0.51 -2.51 0.00 0.00 175.55 171.78 3gqw s LEU 449 N -2.86 3.61 -0.20 -3.49 1.02 -1.26 -1.59 118.68 113.92 3gqw s LEU 449 Ca 0.07 0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.33 3gqw s LEU 449 Cb 0.01 -1.83 0.08 0.00 0.02 0.00 0.00 46.19 44.48 3gqw s LEU 449 CO -0.07 0.37 0.17 -0.22 0.02 0.00 0.00 176.35 176.62 3gqw s LEU 450 N -0.85 0.11 -1.38 1.79 0.20 -0.62 -1.04 118.68 116.89 3gqw s LEU 450 Ca 0.13 -0.47 -0.07 0.00 0.69 0.00 0.00 54.13 54.41 3gqw s LEU 450 Cb -0.11 0.09 0.03 0.00 -0.43 0.00 0.00 46.19 45.77 3gqw s LEU 450 CO 0.02 -0.35 0.96 0.47 -0.29 0.00 0.00 176.35 177.17 3gqw n ASP 451 N 5.30 -3.76 0.00 3.68 8.00 -1.26 -1.73 116.55 126.78 3gqw n ASP 451 Ca -0.06 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3gqw n ASP 451 Cb 0.49 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.19 3gqw n ASP 451 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqw n GLY 452 N -1.65 2.52 3.84 0.44 0.00 -1.26 -5.01 105.19 104.07 3gqw n GLY 452 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3gqw n GLY 452 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqw s TYR 453 N -2.69 3.71 -0.21 1.61 2.02 -0.70 -4.21 117.35 116.89 3gqw s TYR 453 Ca 0.00 1.03 -0.19 0.00 -0.37 0.00 0.00 57.07 57.54 3gqw s TYR 453 Cb 0.00 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 3gqw s TYR 453 CO 0.00 0.60 0.53 -1.17 -1.57 0.00 0.00 175.55 173.93 3gqw s LEU 454 N -1.29 4.14 -0.33 -1.29 2.96 0.20 -1.59 118.68 121.48 3gqw s LEU 454 Ca 0.27 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.81 3gqw s LEU 454 Cb -0.17 -2.72 0.05 0.00 0.50 0.00 0.00 46.19 43.85 3gqw s LEU 454 CO 0.16 -0.20 0.08 -0.31 -1.32 0.00 0.00 176.35 174.75 3gqw s TYR 455 N 1.74 3.27 -0.01 5.38 1.51 -0.62 -1.13 117.35 127.49 3gqw s TYR 455 Ca 0.24 -1.62 -0.22 0.00 -1.01 0.00 0.00 57.07 54.46 3gqw s TYR 455 Cb -0.15 -2.28 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 3gqw s TYR 455 CO 0.10 -0.77 0.64 0.08 -1.11 0.00 0.00 175.55 174.48 3gqw s VAL 456 N 1.34 4.91 -0.08 0.71 1.01 -1.26 -1.75 120.40 125.28 3gqw s VAL 456 Ca -0.02 1.33 0.07 0.00 0.00 0.00 0.00 61.98 63.36 3gqw s VAL 456 Cb -0.20 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 3gqw s VAL 456 CO 0.01 0.37 0.19 0.35 0.00 0.00 0.00 175.10 176.03 3gqw n THR 457 N 2.97 0.00 0.00 3.92 -2.24 -0.59 -4.76 114.28 113.57 3gqw n THR 457 Ca -0.05 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3gqw n THR 457 Cb 0.51 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3gqw n THR 457 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gqw n GLY 458 N 1.88 0.50 3.79 3.38 0.00 -1.22 -4.99 105.19 108.54 3gqw n GLY 458 Ca -0.01 -1.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 3gqw n GLY 458 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqw s ARG 459 N -1.46 4.40 0.15 1.61 0.52 -1.26 0.50 118.95 123.41 3gqw s ARG 459 Ca 0.00 1.30 -0.12 0.00 -0.52 0.00 0.00 55.73 56.40 3gqw s ARG 459 Cb 0.00 -2.57 0.02 0.00 0.52 0.00 0.00 34.95 32.92 3gqw s ARG 459 CO 0.00 0.11 1.59 0.82 0.02 0.00 0.00 175.30 177.84 3gqw h ILE 460 N 2.32 1.27 -0.41 1.52 2.04 -1.64 -2.63 117.51 119.98 3gqw h ILE 460 Ca -0.48 -1.14 0.12 0.00 1.00 0.00 0.00 64.86 64.36 3gqw h ILE 460 Cb 1.19 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3gqw h ILE 460 CO 0.63 0.40 0.51 0.50 0.00 0.00 0.00 178.15 180.19 3gqw h LYS 461 N 0.78 0.00 0.00 2.37 3.64 -1.94 -1.45 116.57 119.97 3gqw h LYS 461 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3gqw h LYS 461 Cb 0.57 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3gqw h LYS 461 CO 0.03 0.00 -1.93 -0.25 -2.27 0.00 0.00 179.45 175.03 3gqw n ASP 462 N -3.53 0.11 -4.65 4.20 8.00 -1.02 -4.74 116.55 114.92 3gqw n ASP 462 Ca 0.07 0.04 -0.51 0.00 0.71 0.00 0.00 54.79 55.11 3gqw n ASP 462 Cb 0.68 1.67 -0.06 0.00 -0.02 0.00 0.00 41.12 43.39 3gqw n ASP 462 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3gqw n LEU 463 N -2.38 2.39 -4.58 0.64 7.94 -0.55 -4.60 117.00 115.86 3gqw n LEU 463 Ca -0.07 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.49 3gqw n LEU 463 Cb 0.65 -1.26 -0.02 0.00 0.53 0.00 0.00 43.42 43.31 3gqw n LEU 463 CO 0.45 -0.60 1.07 -0.63 -1.11 0.00 0.00 177.39 176.57 3gqw s ILE 464 N 1.74 4.05 -0.24 1.96 1.01 -0.77 -4.94 121.20 124.01 3gqw s ILE 464 Ca 0.87 0.93 -0.09 0.00 0.00 0.00 0.00 60.65 62.37 3gqw s ILE 464 Cb -0.88 -4.71 -0.04 0.00 0.01 0.00 0.00 42.46 36.84 3gqw s ILE 464 CO 0.49 -1.30 0.11 -0.63 0.00 0.00 0.00 174.94 173.61 3gqw s ILE 465 N 4.88 4.77 0.00 2.92 1.01 -1.26 -0.80 121.20 132.71 3gqw s ILE 465 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.06 3gqw s ILE 465 Cb -0.07 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.17 3gqw s ILE 465 CO 0.26 0.35 0.00 2.30 0.00 0.00 0.00 174.94 177.85 3gqw n ILE 466 N 4.53 0.00 -1.74 2.92 -5.35 -1.06 -4.99 119.36 113.68 3gqw n ILE 466 Ca -0.16 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 61.94 3gqw n ILE 466 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 3gqw n ILE 466 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3gqw s ARG 467 N -0.41 2.45 0.00 6.28 0.52 -1.26 -3.71 118.95 122.82 3gqw s ARG 467 Ca 0.00 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 3gqw s ARG 467 Cb 0.00 -4.48 0.00 0.00 0.52 0.00 0.00 34.95 30.99 3gqw s ARG 467 CO 0.00 -2.90 0.00 0.41 0.02 0.00 0.00 175.30 172.83 3gqw n GLY 468 N 5.85 0.71 3.25 -3.53 0.00 -1.26 -4.97 105.19 105.24 3gqw n GLY 468 Ca 0.30 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 3gqw n GLY 468 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gqw s ARG 469 N -0.26 0.57 -0.11 1.61 1.04 -1.24 -4.65 118.95 115.91 3gqw s ARG 469 Ca 0.00 0.11 -0.06 0.00 -1.04 0.00 0.00 55.73 54.73 3gqw s ARG 469 Cb 0.00 0.26 -0.04 0.00 -2.04 0.00 0.00 34.95 33.13 3gqw s ARG 469 CO 0.00 -0.13 0.14 -0.80 -0.04 0.00 0.00 175.30 174.47 3gqw s ASN 470 N -0.68 6.35 -0.08 -2.89 0.01 -0.19 -2.56 114.94 114.90 3gqw s ASN 470 Ca -0.08 0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.56 3gqw s ASN 470 Cb -0.04 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.58 3gqw s ASN 470 CO 0.03 0.40 -0.20 -0.63 -1.51 0.00 0.00 177.10 175.19 3gqw s ILE 471 N -1.05 1.70 -0.20 0.60 1.01 0.02 -4.36 121.20 118.91 3gqw s ILE 471 Ca 0.16 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 3gqw s ILE 471 Cb -0.12 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 3gqw s ILE 471 CO 0.05 0.48 0.93 0.26 0.00 0.00 0.00 174.94 176.66 3gqw s TRP 472 N 0.41 3.37 0.27 3.97 0.51 -1.26 -1.85 118.94 124.37 3gqw s TRP 472 Ca -0.16 1.34 0.00 0.00 -2.12 0.00 0.00 56.10 55.17 3gqw s TRP 472 Cb -0.17 -3.14 0.55 0.00 -0.81 0.00 0.00 33.47 29.91 3gqw s TRP 472 CO 0.07 -0.37 1.80 -1.35 -0.51 0.00 0.00 176.95 176.58 3gqw h PRO 473 N 7.44 0.78 -0.63 4.98 0.11 -1.87 -0.10 132.00 142.71 3gqw h PRO 473 Ca -0.24 -0.05 0.07 0.00 0.11 0.00 0.00 66.00 65.89 3gqw h PRO 473 Cb 1.10 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 3gqw h PRO 473 CO 0.90 0.52 0.42 -0.56 -0.21 0.00 0.00 178.00 179.07 3gqw h GLN 474 N 0.80 0.57 0.00 1.05 -0.00 -1.92 -0.93 115.11 114.69 3gqw h GLN 474 Ca 0.48 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 59.08 3gqw h GLN 474 Cb 0.59 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 27.94 3gqw h GLN 474 CO -0.31 0.38 -0.11 -0.44 -0.00 0.00 0.00 178.83 178.34 3gqw h ASP 475 N 0.59 0.00 0.07 0.06 3.32 -1.41 0.39 116.42 119.44 3gqw h ASP 475 Ca 0.28 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.05 3gqw h ASP 475 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3gqw h ASP 475 CO -0.08 0.11 -1.49 0.40 -1.72 0.00 0.00 179.24 176.46 3gqw h ILE 476 N 0.00 0.89 -0.43 0.35 2.04 -1.30 -3.37 117.51 115.68 3gqw h ILE 476 Ca -0.00 -2.30 0.04 0.00 1.00 0.00 0.00 64.86 63.60 3gqw h ILE 476 Cb 0.32 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 3gqw h ILE 476 CO 0.01 0.62 0.29 -0.33 0.00 0.00 0.00 178.15 178.75 3gqw h GLU 477 N -0.46 0.41 -0.43 2.37 5.08 -0.88 -2.27 114.58 118.40 3gqw h GLU 477 Ca -0.35 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.07 3gqw h GLU 477 Cb 1.66 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.75 3gqw h GLU 477 CO -0.03 0.27 0.00 -0.92 -1.00 0.00 0.00 179.01 177.33 3gqw h TYR 478 N 0.42 -0.02 -0.89 4.33 3.20 -0.38 -0.29 116.97 123.34 3gqw h TYR 478 Ca 0.18 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.24 3gqw h TYR 478 Cb 0.20 0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.45 3gqw h TYR 478 CO -0.00 -0.09 0.48 0.82 -1.64 0.00 0.00 178.16 177.73 3gqw h ILE 479 N 0.11 0.71 -0.32 1.81 2.04 -1.58 -1.14 117.51 119.15 3gqw h ILE 479 Ca 0.21 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3gqw h ILE 479 Cb 0.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3gqw h ILE 479 CO -0.35 0.12 0.05 0.00 0.00 0.00 0.00 178.15 177.96 3gqw h ALA 480 N 1.59 0.43 0.00 1.87 0.00 -1.13 -2.75 119.26 119.26 3gqw h ALA 480 Ca 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3gqw h ALA 480 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gqw h ALA 480 CO -0.38 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.39 3gqw n GLU 481 N -4.60 0.29 0.02 0.00 1.02 -0.37 -1.78 120.64 115.22 3gqw n GLU 481 Ca -0.02 0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 3gqw n GLU 481 Cb 0.22 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.22 3gqw n GLU 481 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3gqw h GLN 482 N 0.00 0.48 -7.01 3.49 1.08 -1.12 -3.44 115.11 108.60 3gqw h GLN 482 Ca 0.00 -0.30 -0.56 0.00 -1.45 0.00 0.00 58.65 56.34 3gqw h GLN 482 Cb 0.09 0.03 0.17 0.00 -0.05 0.00 0.00 27.48 27.72 3gqw h GLN 482 CO 0.00 0.90 0.30 0.39 -0.95 0.00 0.00 178.83 179.47 3gqw n GLU 483 N -3.95 0.83 -0.11 1.46 -0.58 -0.74 -4.93 120.64 112.62 3gqw n GLU 483 Ca -0.03 0.34 -0.12 0.00 -0.42 0.00 0.00 57.16 56.94 3gqw n GLU 483 Cb 0.59 -2.36 -0.03 0.00 -0.57 0.00 0.00 31.44 29.07 3gqw n GLU 483 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3gqw h PRO 484 N 0.21 0.62 -0.17 3.49 0.11 -1.88 -3.08 132.00 131.30 3gqw h PRO 484 Ca -0.49 -0.24 0.05 0.00 0.11 0.00 0.00 66.00 65.42 3gqw h PRO 484 Cb 1.34 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3gqw h PRO 484 CO 0.50 0.81 0.27 0.93 -0.21 0.00 0.00 178.00 180.30 3gqw h GLU 485 N 0.39 0.00 -5.96 1.05 3.07 -1.94 -3.43 114.58 107.76 3gqw h GLU 485 Ca 0.08 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.26 3gqw h GLU 485 Cb 0.59 0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.29 3gqw h GLU 485 CO 0.03 0.00 -0.72 0.42 -1.40 0.00 0.00 179.01 177.35 3gqw s ILE 486 N -4.44 3.48 0.24 3.13 1.01 -1.17 -4.84 121.20 118.61 3gqw s ILE 486 Ca -0.04 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.11 3gqw s ILE 486 Cb 0.13 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 3gqw s ILE 486 CO 0.46 0.57 -0.05 -1.00 0.00 0.00 0.00 174.94 174.92 3gqw s HIS 487 N -0.48 1.70 -0.40 3.97 3.76 -1.26 -4.68 115.29 117.90 3gqw s HIS 487 Ca 0.07 -0.78 -0.43 0.00 -0.15 0.00 0.00 55.06 53.76 3gqw s HIS 487 Cb -0.12 -0.95 -0.18 0.00 1.11 0.00 0.00 32.58 32.45 3gqw s HIS 487 CO 0.02 0.14 1.71 0.43 -0.85 0.00 0.00 174.74 176.19 3gqw n SER 488 N -0.46 1.75 0.00 1.40 7.64 -1.26 -0.87 113.62 121.83 3gqw n SER 488 Ca -0.06 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.91 3gqw n SER 488 Cb 0.63 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 3gqw n SER 488 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gqw n GLY 489 N 4.34 0.49 0.11 0.23 0.00 -1.26 -4.91 105.19 104.20 3gqw n GLY 489 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.35 3gqw n GLY 489 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gqw h ASP 490 N 0.00 0.00 -3.95 1.61 3.32 -1.30 -3.46 116.42 112.64 3gqw h ASP 490 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 3gqw h ASP 490 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 3gqw h ASP 490 CO 0.00 0.49 -0.76 0.00 -1.72 0.00 0.00 179.24 177.25 3gqw s ALA 491 N -2.98 2.72 -0.03 3.45 0.00 -1.26 -0.81 121.76 122.85 3gqw s ALA 491 Ca -0.00 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3gqw s ALA 491 Cb 0.08 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3gqw s ALA 491 CO 0.79 0.57 -0.00 0.42 0.00 0.00 0.00 175.76 177.53 3gqw s ILE 492 N -0.79 0.21 -0.08 0.00 1.01 0.76 -4.90 121.20 117.42 3gqw s ILE 492 Ca 0.12 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.89 3gqw s ILE 492 Cb -0.11 -0.30 -0.00 0.00 0.01 0.00 0.00 42.46 42.06 3gqw s ILE 492 CO 0.02 0.15 -0.23 0.00 0.00 0.00 0.00 174.94 174.88 3gqw s ALA 493 N 1.02 2.03 0.26 9.38 0.00 -1.26 -0.58 121.76 132.61 3gqw s ALA 493 Ca -0.10 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3gqw s ALA 493 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3gqw s ALA 493 CO -0.02 0.30 0.24 -0.59 0.00 0.00 0.00 175.76 175.69 3gqw s PHE 494 N 0.23 1.34 -0.05 0.00 -0.71 -0.74 -4.80 117.98 113.26 3gqw s PHE 494 Ca -0.14 -1.45 0.06 0.00 -1.04 0.00 0.00 56.93 54.37 3gqw s PHE 494 Cb -0.16 -0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 41.09 3gqw s PHE 494 CO 0.07 -0.79 -0.25 0.54 -1.34 0.00 0.00 175.22 173.45 3gqw s VAL 495 N -3.78 2.09 0.61 -2.49 0.11 -1.26 -1.25 120.40 114.42 3gqw s VAL 495 Ca 0.38 -1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 58.26 3gqw s VAL 495 Cb 0.04 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.11 3gqw s VAL 495 CO 0.19 0.57 1.00 -0.89 -3.33 0.00 0.00 175.10 172.64 3gqw s THR 496 N -0.27 4.71 0.22 5.04 2.01 0.32 -4.91 115.64 122.76 3gqw s THR 496 Ca -0.00 0.80 -0.14 0.00 0.31 0.00 0.00 61.69 62.66 3gqw s THR 496 Cb -0.13 -3.86 0.25 0.00 0.01 0.00 0.00 72.50 68.77 3gqw s THR 496 CO 0.03 -1.11 1.61 0.00 -0.69 0.00 0.00 174.62 174.46 3gqw h ALA 497 N -0.27 0.39 0.00 7.40 0.00 -1.95 0.25 119.26 125.09 3gqw h ALA 497 Ca -0.44 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3gqw h ALA 497 Cb 1.19 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gqw h ALA 497 CO 0.62 -0.45 0.00 1.04 0.00 0.00 0.00 179.25 180.46 3gqw n GLN 498 N -5.46 0.75 -3.46 0.00 3.00 -1.26 -4.83 117.38 106.11 3gqw n GLN 498 Ca 0.08 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.82 3gqw n GLN 498 Cb 0.36 -1.37 0.04 0.00 0.00 0.00 0.00 30.24 29.26 3gqw n GLN 498 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3gqw n GLU 499 N 0.13 -5.72 -3.69 -1.09 1.02 0.87 -4.99 120.64 107.17 3gqw n GLU 499 Ca 0.00 0.75 -0.36 0.00 -0.02 0.00 0.00 57.16 57.53 3gqw n GLU 499 Cb 0.19 -5.65 -0.08 0.00 -0.02 0.00 0.00 31.44 25.89 3gqw n GLU 499 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gqw s LYS 500 N -6.16 4.12 0.02 3.49 -0.14 -1.25 -4.82 119.74 115.00 3gqw s LYS 500 Ca 0.49 -0.12 -0.23 0.00 -1.36 0.00 0.00 55.97 54.75 3gqw s LYS 500 Cb -0.23 -3.39 -0.05 0.00 -1.68 0.00 0.00 37.83 32.47 3gqw s LYS 500 CO 0.61 0.34 0.69 0.42 -0.76 0.00 0.00 175.35 176.65 3gqw s ILE 501 N 0.21 4.83 -0.04 2.17 1.01 -1.26 -0.52 121.20 127.59 3gqw s ILE 501 Ca 0.11 1.46 0.05 0.00 0.00 0.00 0.00 60.65 62.27 3gqw s ILE 501 Cb -0.12 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.31 3gqw s ILE 501 CO 0.00 0.38 -0.18 -0.63 0.00 0.00 0.00 174.94 174.51 3gqw s ILE 502 N -0.03 1.52 -0.37 2.92 1.09 -0.38 -1.54 121.20 124.41 3gqw s ILE 502 Ca 0.35 -0.77 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 3gqw s ILE 502 Cb -0.19 -1.30 0.10 0.00 -1.06 0.00 0.00 42.46 40.01 3gqw s ILE 502 CO 0.20 0.43 0.12 -0.22 -0.10 0.00 0.00 174.94 175.38 3gqw s LEU 503 N -0.03 4.99 -0.06 2.97 2.96 -0.14 -1.79 118.68 127.58 3gqw s LEU 503 Ca -0.03 -2.09 -0.19 0.00 -0.22 0.00 0.00 54.13 51.60 3gqw s LEU 503 Cb -0.11 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3gqw s LEU 503 CO 0.02 -0.46 0.52 -1.10 -1.32 0.00 0.00 176.35 174.01 3gqw s GLN 504 N 1.02 4.28 -0.24 1.98 -0.21 0.25 -1.16 119.66 125.57 3gqw s GLN 504 Ca 0.10 0.56 -0.01 0.00 0.02 0.00 0.00 55.36 56.03 3gqw s GLN 504 Cb -0.21 -3.38 0.07 0.00 1.00 0.00 0.00 33.01 30.49 3gqw s GLN 504 CO -0.06 0.30 0.01 0.42 -2.12 0.00 0.00 175.29 173.83 3gqw s ILE 505 N 0.13 1.13 -0.15 1.08 1.01 -0.06 -0.17 121.20 124.17 3gqw s ILE 505 Ca 0.28 -1.09 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 3gqw s ILE 505 Cb -0.16 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 3gqw s ILE 505 CO 0.13 -0.26 0.94 0.00 0.00 0.00 0.00 174.94 175.76 3gqw s GLN 506 N 1.56 4.34 0.13 2.79 -2.07 0.01 -0.39 119.66 126.04 3gqw s GLN 506 Ca -0.01 1.24 -0.20 0.00 -1.82 0.00 0.00 55.36 54.57 3gqw s GLN 506 Cb -0.18 -3.57 0.05 0.00 -1.09 0.00 0.00 33.01 28.22 3gqw s GLN 506 CO -0.10 -0.37 0.50 0.00 -1.32 0.00 0.00 175.29 174.00 3gqw s ARG 508 N -3.61 2.79 -0.20 0.00 1.70 -1.26 -3.51 118.95 114.85 3gqw s ARG 508 Ca 0.01 -2.42 -0.01 0.00 -0.47 0.00 0.00 55.73 52.84 3gqw s ARG 508 Cb 0.00 -3.91 0.06 0.00 -0.57 0.00 0.00 34.95 30.53 3gqw s ARG 508 CO -0.11 -1.20 -0.00 0.42 -1.08 0.00 0.00 175.30 173.32 3gqw s ILE 509 N 0.16 0.92 -0.06 4.99 1.01 -1.26 -4.98 121.20 121.99 3gqw s ILE 509 Ca 0.16 -0.78 0.21 0.00 0.00 0.00 0.00 60.65 60.23 3gqw s ILE 509 Cb -0.18 -1.31 -0.32 0.00 0.01 0.00 0.00 42.46 40.65 3gqw s ILE 509 CO -0.04 -0.13 0.47 -1.20 0.00 0.00 0.00 174.94 174.04 3gqw n SER 510 N 4.90 0.23 -4.58 3.58 7.64 -1.26 -4.87 113.62 119.26 3gqw n SER 510 Ca -0.10 -0.03 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 3gqw n SER 510 Cb 0.46 1.93 -0.03 0.00 -1.01 0.00 0.00 64.21 65.56 3gqw n SER 510 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gqw s ASP 511 N -4.37 5.63 0.53 6.43 -1.08 -1.26 -4.86 116.67 117.69 3gqw s ASP 511 Ca -0.07 0.94 0.28 0.00 -0.52 0.00 0.00 52.55 53.18 3gqw s ASP 511 Cb 0.14 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.53 3gqw s ASP 511 CO 0.87 -1.98 2.07 -0.08 0.52 0.00 0.00 175.17 176.58 3gqw h GLU 512 N 13.79 0.00 -0.10 4.34 4.57 -2.00 -2.22 114.58 132.96 3gqw h GLU 512 Ca -0.30 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.78 3gqw h GLU 512 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3gqw h GLU 512 CO 1.10 0.11 -0.32 1.49 -1.18 0.00 0.00 179.01 180.21 3gqw h GLU 513 N 0.00 0.40 -0.65 1.92 4.81 -2.00 -3.05 114.58 116.01 3gqw h GLU 513 Ca -0.00 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3gqw h GLU 513 Cb 0.33 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3gqw h GLU 513 CO 0.01 0.92 0.38 -0.09 -0.73 0.00 0.00 179.01 179.50 3gqw h ARG 514 N -0.05 0.89 -0.76 1.92 9.65 -1.82 -2.18 114.38 122.03 3gqw h ARG 514 Ca -0.01 -0.09 0.14 0.00 -1.10 0.00 0.00 59.98 58.92 3gqw h ARG 514 Cb 0.95 -0.18 -0.09 0.00 -1.39 0.00 0.00 29.97 29.25 3gqw h ARG 514 CO 0.07 0.65 0.31 0.00 2.80 0.00 0.00 179.97 183.80 3gqw h ARG 515 N 0.89 0.44 -0.09 0.20 3.08 -1.49 0.22 114.38 117.62 3gqw h ARG 515 Ca 0.23 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 3gqw h ARG 515 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 3gqw h ARG 515 CO -0.04 0.29 -0.11 0.78 -1.07 0.00 0.00 179.97 179.82 3gqw h GLY 516 N 0.45 0.26 2.00 0.04 0.00 -1.32 -1.64 103.07 102.87 3gqw h GLY 516 Ca 0.42 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 3gqw h GLY 516 CO -0.40 0.25 -0.39 -1.61 0.00 0.00 0.00 176.54 174.40 3gqw h GLN 517 N -0.19 0.00 -0.04 4.80 4.15 -1.12 -2.38 115.11 120.34 3gqw h GLN 517 Ca 0.01 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 3gqw h GLN 517 Cb 0.65 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3gqw h GLN 517 CO 0.03 0.39 -0.14 1.25 -1.93 0.00 0.00 178.83 178.42 3gqw h LEU 518 N 0.00 0.19 -0.01 -2.39 6.46 -0.47 0.67 115.31 119.77 3gqw h LEU 518 Ca -0.00 -0.63 0.03 0.00 -0.12 0.00 0.00 57.88 57.15 3gqw h LEU 518 Cb 0.70 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 3gqw h LEU 518 CO 0.05 0.79 -0.16 0.40 -0.62 0.00 0.00 178.44 178.90 3gqw h ILE 519 N -0.39 0.60 -0.19 4.05 2.04 -1.29 -0.62 117.51 121.70 3gqw h ILE 519 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3gqw h ILE 519 Cb 0.78 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3gqw h ILE 519 CO 0.03 0.00 0.10 -0.74 0.00 0.00 0.00 178.15 177.54 3gqw h HIS 520 N -0.27 0.26 -0.10 1.37 2.76 -1.45 -0.35 115.15 117.38 3gqw h HIS 520 Ca 0.06 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3gqw h HIS 520 Cb 0.34 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 3gqw h HIS 520 CO -0.22 0.24 -0.06 0.00 -1.30 0.00 0.00 177.93 176.59 3gqw h ALA 521 N 1.00 0.03 -0.34 5.26 0.00 -0.74 -1.75 119.26 122.71 3gqw h ALA 521 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gqw h ALA 521 Cb 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3gqw h ALA 521 CO -0.01 -0.52 0.15 1.25 0.00 0.00 0.00 179.25 180.12 3gqw h LEU 522 N -0.05 0.46 -0.92 0.00 5.85 -0.97 -1.26 115.31 118.41 3gqw h LEU 522 Ca 0.06 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.74 3gqw h LEU 522 Cb 0.14 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3gqw h LEU 522 CO -0.13 0.49 0.55 0.00 -0.34 0.00 0.00 178.44 179.01 3gqw h ALA 523 N 0.99 1.36 -0.39 1.25 0.00 -0.90 -1.15 119.26 120.42 3gqw h ALA 523 Ca 0.11 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3gqw h ALA 523 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gqw h ALA 523 CO -0.01 0.16 -0.14 0.00 0.00 0.00 0.00 179.25 179.26 3gqw h ALA 524 N 1.50 0.54 -0.31 0.00 0.00 -0.73 -1.87 119.26 118.39 3gqw h ALA 524 Ca 0.45 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3gqw h ALA 524 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gqw h ALA 524 CO -0.26 0.44 -0.30 -0.09 0.00 0.00 0.00 179.25 179.04 3gqw h ARG 525 N 0.59 0.65 -0.82 0.00 2.43 -0.73 -1.69 114.38 114.81 3gqw h ARG 525 Ca 0.09 -0.29 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3gqw h ARG 525 Cb 0.67 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 3gqw h ARG 525 CO 0.05 0.88 0.39 0.82 -1.51 0.00 0.00 179.97 180.60 3gqw h ILE 526 N 0.56 1.25 -0.17 1.20 2.04 -1.15 -0.35 117.51 120.89 3gqw h ILE 526 Ca 0.07 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3gqw h ILE 526 Cb 0.80 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3gqw h ILE 526 CO 0.07 0.30 -0.09 1.56 0.00 0.00 0.00 178.15 179.99 3gqw h GLN 527 N 1.16 0.26 0.05 2.37 4.20 -0.76 -1.17 115.11 121.21 3gqw h GLN 527 Ca 0.28 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 3gqw h GLN 527 Cb 0.12 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.86 3gqw h GLN 527 CO -0.04 0.36 -0.32 1.03 -0.67 0.00 0.00 178.83 179.20 3gqw h SER 528 N 0.25 0.15 1.44 1.46 0.87 -0.90 -0.22 113.55 116.61 3gqw h SER 528 Ca 0.05 -0.97 -0.02 0.00 -1.23 0.00 0.00 61.79 59.62 3gqw h SER 528 Cb 0.32 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3gqw h SER 528 CO 0.02 1.15 -0.10 -0.33 -0.53 0.00 0.00 176.83 177.03 3gqw h GLU 529 N -0.79 0.00 0.00 2.24 4.39 -1.05 -3.37 114.58 116.00 3gqw h GLU 529 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3gqw h GLU 529 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3gqw h GLU 529 CO 0.04 0.10 -0.33 1.19 -1.16 0.00 0.00 179.01 178.86 3gqw n PHE 530 N -3.17 0.00 -1.90 4.33 3.01 -0.45 -5.01 117.46 114.28 3gqw n PHE 530 Ca 0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.34 3gqw n PHE 530 Cb 0.47 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 3gqw n PHE 530 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqw n GLY 531 N 1.05 0.48 3.22 1.37 0.00 -0.09 -5.00 105.19 106.22 3gqw n GLY 531 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 3gqw n GLY 531 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqw s VAL 532 N -2.60 1.62 -0.20 1.61 1.01 -1.25 -5.00 120.40 115.59 3gqw s VAL 532 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3gqw s VAL 532 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3gqw s VAL 532 CO 0.00 0.38 0.03 0.42 0.00 0.00 0.00 175.10 175.93 3gqw s THR 533 N -0.57 4.31 -0.09 3.92 -4.23 -1.26 -3.09 115.64 114.62 3gqw s THR 533 Ca 0.08 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 3gqw s THR 533 Cb -0.08 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 3gqw s THR 533 CO -0.00 0.43 -0.10 0.00 -0.54 0.00 0.00 174.62 174.41 3gqw s ALA 534 N 0.79 2.79 -0.22 3.99 0.00 -1.26 -4.35 121.76 123.49 3gqw s ALA 534 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 3gqw s ALA 534 Cb -0.14 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3gqw s ALA 534 CO 0.02 0.44 1.41 0.00 0.00 0.00 0.00 175.76 177.63 3gqw s ALA 535 N -0.33 3.43 -0.38 0.00 0.00 -0.59 -4.82 121.76 119.07 3gqw s ALA 535 Ca 0.04 0.37 -0.20 0.00 0.00 0.00 0.00 51.96 52.17 3gqw s ALA 535 Cb -0.13 -3.76 0.01 0.00 0.00 0.00 0.00 23.12 19.25 3gqw s ALA 535 CO 0.02 -1.64 0.63 0.42 0.00 0.00 0.00 175.76 175.20 3gqw s ILE 536 N 4.37 4.87 -0.42 0.00 -1.09 -1.26 -0.97 121.20 126.70 3gqw s ILE 536 Ca 0.62 0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 59.38 3gqw s ILE 536 Cb -0.22 -4.12 0.09 0.00 -1.58 0.00 0.00 42.46 36.64 3gqw s ILE 536 CO 0.23 -0.41 0.25 -1.81 -1.23 0.00 0.00 174.94 171.97 3gqw s ASP 537 N 1.87 5.53 -0.38 3.58 1.01 -0.31 -5.00 116.67 122.96 3gqw s ASP 537 Ca 0.24 -1.66 -0.29 0.00 0.71 0.00 0.00 52.55 51.55 3gqw s ASP 537 Cb -0.14 -1.94 0.02 0.00 1.01 0.00 0.00 42.92 41.86 3gqw s ASP 537 CO 0.16 -0.55 1.16 -0.76 0.21 0.00 0.00 175.17 175.40 3gqw s LEU 538 N 1.35 3.79 0.29 1.23 1.02 -1.26 -0.88 118.68 124.21 3gqw s LEU 538 Ca 0.04 0.84 0.07 0.00 0.02 0.00 0.00 54.13 55.10 3gqw s LEU 538 Cb -0.23 -3.55 -0.03 0.00 0.02 0.00 0.00 46.19 42.40 3gqw s LEU 538 CO 0.00 -1.10 0.27 -0.76 0.02 0.00 0.00 176.35 174.78 3gqw s LEU 539 N 4.21 3.78 0.81 1.79 1.43 0.48 -4.95 118.68 126.23 3gqw s LEU 539 Ca 0.49 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 3gqw s LEU 539 Cb -0.11 -2.36 0.08 0.00 0.03 0.00 0.00 46.19 43.83 3gqw s LEU 539 CO 0.24 -0.19 1.11 -2.84 0.23 0.00 0.00 176.35 174.90 3gqw s PRO 540 N -3.94 1.89 0.58 1.29 0.02 -1.26 -1.87 135.00 131.70 3gqw s PRO 540 Ca 0.37 1.33 -0.19 0.00 0.02 0.00 0.00 61.00 62.52 3gqw s PRO 540 Cb -0.07 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.55 3gqw s PRO 540 CO 0.26 -1.95 0.95 -2.30 -0.33 0.00 0.00 177.00 173.64 3gqw n PRO 541 N -3.66 0.95 -2.56 5.54 -0.02 -1.23 -2.58 135.00 131.44 3gqw n PRO 541 Ca 0.10 0.36 -0.17 0.00 -2.02 0.00 0.00 63.50 61.78 3gqw n PRO 541 Cb 0.53 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3gqw n PRO 541 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gqw n HIS 542 N -1.55 -1.37 0.09 6.00 8.25 -1.26 -4.89 115.22 120.49 3gqw n HIS 542 Ca 0.13 0.09 -0.15 0.00 -0.26 0.00 0.00 57.72 57.53 3gqw n HIS 542 Cb 0.46 -3.34 -0.10 0.00 1.12 0.00 0.00 29.99 28.13 3gqw n HIS 542 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3gqw h SER 543 N -0.22 0.49 -3.43 0.41 0.02 -1.87 -3.40 113.55 105.56 3gqw h SER 543 Ca -0.39 -0.47 -0.59 0.00 -0.84 0.00 0.00 61.79 59.49 3gqw h SER 543 Cb 1.29 -0.16 -0.39 0.00 0.14 0.00 0.00 62.40 63.28 3gqw h SER 543 CO 0.46 1.32 -0.76 -0.51 -1.14 0.00 0.00 176.83 176.20 3gqw s ILE 544 N -2.91 1.28 0.68 3.27 1.10 -1.26 -5.09 121.20 118.26 3gqw s ILE 544 Ca -0.05 -1.35 -0.07 0.00 -0.51 0.00 0.00 60.65 58.66 3gqw s ILE 544 Cb 0.08 -1.78 0.04 0.00 0.15 0.00 0.00 42.46 40.95 3gqw s ILE 544 CO 0.88 -0.39 1.00 -2.84 -2.11 0.00 0.00 174.94 171.48 3gqw s PRO 545 N 1.46 2.44 0.70 3.50 0.02 -1.26 -4.85 135.00 137.02 3gqw s PRO 545 Ca 0.03 -0.11 -0.14 0.00 0.02 0.00 0.00 61.00 60.80 3gqw s PRO 545 Cb -0.18 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.19 3gqw s PRO 545 CO -0.13 -1.09 1.11 1.03 -0.33 0.00 0.00 177.00 177.60 3gqw s ARG 546 N -5.20 2.54 0.69 5.54 0.52 -1.26 -4.19 118.95 117.59 3gqw s ARG 546 Ca 0.58 1.36 -0.12 0.00 -0.52 0.00 0.00 55.73 57.03 3gqw s ARG 546 Cb -0.11 -1.92 0.17 0.00 0.52 0.00 0.00 34.95 33.61 3gqw s ARG 546 CO 0.46 -1.45 0.68 0.25 0.02 0.00 0.00 175.30 175.26 3gqw n THR 547 N -2.81 0.00 -0.22 0.02 -2.24 0.93 -4.78 114.28 105.18 3gqw n THR 547 Ca 0.10 -0.36 0.09 0.00 -2.27 0.00 0.00 64.05 61.62 3gqw n THR 547 Cb 0.52 -1.27 0.37 0.00 -2.10 0.00 0.00 70.33 67.85 3gqw n THR 547 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3gqw h SER 548 N -1.79 0.65 -0.21 3.42 0.02 -1.84 -1.14 113.55 112.66 3gqw h SER 548 Ca -0.25 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3gqw h SER 548 Cb 0.74 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3gqw h SER 548 CO 0.16 0.38 0.00 -1.54 -1.14 0.00 0.00 176.83 174.70 3gqw n SER 549 N -4.51 2.33 0.00 3.07 3.41 -1.24 -4.86 113.62 111.81 3gqw n SER 549 Ca 0.13 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3gqw n SER 549 Cb 0.34 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3gqw n SER 549 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqw n GLY 550 N 1.27 0.70 3.85 5.00 0.00 -0.43 -4.93 105.19 110.64 3gqw n GLY 550 Ca 0.17 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3gqw n GLY 550 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqw s LYS 551 N -1.15 3.26 -0.14 1.61 -0.14 -1.26 -4.68 119.74 117.25 3gqw s LYS 551 Ca 0.00 -0.41 -0.37 0.00 -1.36 0.00 0.00 55.97 53.83 3gqw s LYS 551 Cb 0.00 -2.98 -0.14 0.00 -1.68 0.00 0.00 37.83 33.03 3gqw s LYS 551 CO 0.00 0.66 1.77 -2.30 -0.76 0.00 0.00 175.35 174.72 3gqw n PRO 552 N 0.98 1.71 -1.83 -1.68 -0.02 -1.26 -0.05 135.00 132.85 3gqw n PRO 552 Ca -0.11 0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 3gqw n PRO 552 Cb 0.52 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3gqw n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqw n ALA 553 N 5.67 5.95 -0.02 3.55 0.00 -1.26 -4.70 120.51 129.69 3gqw n ALA 553 Ca 0.24 -3.95 -0.13 0.00 0.00 0.00 0.00 53.44 49.60 3gqw n ALA 553 Cb 0.22 -3.31 -0.08 0.00 0.00 0.00 0.00 19.45 16.28 3gqw n ALA 553 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqw h ARG 554 N 5.66 0.11 -0.45 0.00 3.08 -1.95 -0.88 114.38 119.95 3gqw h ARG 554 Ca 0.59 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.58 3gqw h ARG 554 Cb 0.55 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3gqw h ARG 554 CO 1.78 0.47 0.23 0.00 -1.07 0.00 0.00 179.97 181.38 3gqw h ALA 555 N 0.63 1.56 -0.04 0.04 0.00 -1.85 0.69 119.26 120.29 3gqw h ALA 555 Ca 0.01 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 3gqw h ALA 555 Cb 0.44 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gqw h ALA 555 CO 0.01 0.36 -0.83 1.49 0.00 0.00 0.00 179.25 180.28 3gqw h GLU 556 N 0.62 0.37 -0.31 0.00 4.81 -1.92 -2.72 114.58 115.44 3gqw h GLU 556 Ca 0.16 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.98 3gqw h GLU 556 Cb 0.05 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3gqw h GLU 556 CO -0.02 1.01 -0.04 0.00 -0.73 0.00 0.00 179.01 179.23 3gqw h ALA 557 N 0.87 0.42 -0.90 2.92 0.00 -0.43 -2.46 119.26 119.68 3gqw h ALA 557 Ca -0.05 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.72 3gqw h ALA 557 Cb 1.43 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.04 3gqw h ALA 557 CO 0.14 0.21 0.58 -0.22 0.00 0.00 0.00 179.25 179.96 3gqw h LYS 558 N 0.35 0.79 0.00 0.00 3.64 -0.87 -0.67 116.57 119.80 3gqw h LYS 558 Ca 0.08 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.24 3gqw h LYS 558 Cb 0.51 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 3gqw h LYS 558 CO 0.02 0.52 -0.84 0.87 -2.27 0.00 0.00 179.45 177.76 3gqw h LYS 559 N 0.81 0.00 -0.16 1.90 1.57 -1.31 -0.18 116.57 119.20 3gqw h LYS 559 Ca 0.44 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.05 3gqw h LYS 559 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.88 3gqw h LYS 559 CO -0.20 0.84 -0.57 0.00 -0.57 0.00 0.00 179.45 178.94 3gqw h ARG 560 N 0.00 0.66 -0.30 3.15 3.08 -1.15 -2.05 114.38 117.78 3gqw h ARG 560 Ca -0.01 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 3gqw h ARG 560 Cb 1.64 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 3gqw h ARG 560 CO 0.11 1.12 0.15 -0.92 -1.07 0.00 0.00 179.97 179.37 3gqw h TYR 561 N 0.34 0.43 -0.44 3.04 5.03 -1.07 -1.06 116.97 123.25 3gqw h TYR 561 Ca -0.03 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.30 3gqw h TYR 561 Cb 1.20 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 39.31 3gqw h TYR 561 CO 0.10 0.38 0.21 0.37 -1.32 0.00 0.00 178.16 177.89 3gqw h GLN 562 N 0.36 0.41 -0.24 1.82 5.75 -1.08 -2.18 115.11 119.94 3gqw h GLN 562 Ca 0.11 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3gqw h GLN 562 Cb 0.10 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3gqw h GLN 562 CO -0.01 0.27 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.18 3gqw h LYS 563 N 0.42 0.37 0.00 1.69 1.63 -1.06 -1.33 116.57 118.29 3gqw h LYS 563 Ca 0.19 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 3gqw h LYS 563 Cb 0.11 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3gqw h LYS 563 CO -0.15 0.42 -0.11 0.00 -3.45 0.00 0.00 179.45 176.17 3gqw h ALA 564 N 1.62 0.96 -0.01 5.00 0.00 -0.80 -1.28 119.26 124.75 3gqw h ALA 564 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3gqw h ALA 564 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gqw h ALA 564 CO 0.01 0.13 -0.22 -0.92 0.00 0.00 0.00 179.25 178.26 3gqw h TYR 565 N 0.00 0.24 -0.85 0.00 3.20 -0.78 -2.61 116.97 116.17 3gqw h TYR 565 Ca -0.00 -0.12 0.12 0.00 3.14 0.00 0.00 58.73 61.87 3gqw h TYR 565 Cb 0.88 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.04 3gqw h TYR 565 CO 0.00 0.90 0.47 0.00 -1.64 0.00 0.00 178.16 177.89 3gqw h ALA 566 N 0.28 1.25 -0.48 1.82 0.00 -1.15 -2.19 119.26 118.80 3gqw h ALA 566 Ca -0.02 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gqw h ALA 566 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3gqw h ALA 566 CO 0.04 0.03 0.31 0.00 0.00 0.00 0.00 179.25 179.64 3gqw h ALA 567 N 1.50 0.61 -0.00 0.00 0.00 -1.26 -2.85 119.26 117.26 3gqw h ALA 567 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3gqw h ALA 567 Cb 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gqw h ALA 567 CO -0.30 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 177.87 3gqw n SER 568 N -4.76 0.14 0.00 0.00 3.41 -0.87 -5.10 113.62 106.44 3gqw n SER 568 Ca 0.02 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 3gqw n SER 568 Cb 0.03 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3gqw n SER 568 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06