#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw n THR 6 N 0.00 0.00 -0.50 2.61 -2.24 -1.26 -4.93 114.28 107.96 3gpw n THR 6 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 3gpw n THR 6 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3gpw n THR 6 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpw n GLY 7 N -0.15 0.75 0.04 3.38 0.00 -1.26 -4.92 105.19 103.03 3gpw n GLY 7 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 3gpw n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gpw n TYR 8 N -2.13 0.23 -0.29 1.61 4.01 -1.26 -2.45 117.16 116.88 3gpw n TYR 8 Ca 0.00 0.10 0.10 0.00 -0.16 0.00 0.00 57.90 57.94 3gpw n TYR 8 Cb 0.00 -0.66 0.26 0.00 -0.31 0.00 0.00 39.34 38.63 3gpw n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3gpw n ASP 9 N -1.72 3.60 -0.02 7.72 5.75 -1.26 -4.49 116.55 126.12 3gpw n ASP 9 Ca 0.02 -2.00 -0.05 0.00 -0.01 0.00 0.00 54.79 52.76 3gpw n ASP 9 Cb 0.14 -0.40 -0.13 0.00 -1.03 0.00 0.00 41.12 39.71 3gpw n ASP 9 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gpw n LEU 10 N 1.26 0.63 -4.55 -2.12 4.77 -1.03 -4.56 117.00 111.41 3gpw n LEU 10 Ca 0.20 0.29 -0.33 0.00 -0.03 0.00 0.00 56.01 56.14 3gpw n LEU 10 Cb 0.56 0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.73 3gpw n LEU 10 CO 0.14 0.31 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.55 3gpw s SER 11 N -5.77 4.42 0.20 -1.43 0.15 -1.26 -5.07 113.70 104.95 3gpw s SER 11 Ca -0.05 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 3gpw s SER 11 Cb 0.08 -1.03 0.14 0.00 -1.71 0.00 0.00 66.02 63.50 3gpw s SER 11 CO 0.83 0.34 1.78 -1.13 1.20 0.00 0.00 173.24 176.26 3gpw h ASN 12 N 5.12 1.01 -0.49 5.45 -1.24 -1.84 -3.26 115.58 120.34 3gpw h ASN 12 Ca -0.48 -0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.38 3gpw h ASN 12 Cb 1.16 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 39.95 3gpw h ASN 12 CO 0.52 0.89 0.00 -1.54 -1.29 0.00 0.00 177.43 176.01 3gpw n SER 13 N -4.35 3.08 -4.72 1.15 3.41 -1.25 -4.72 113.62 106.21 3gpw n SER 13 Ca 0.06 -2.14 -0.41 0.00 -0.26 0.00 0.00 58.87 56.12 3gpw n SER 13 Cb 0.16 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 3gpw n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gpw s VAL 14 N -1.51 4.64 -0.13 -3.33 1.01 -1.23 -4.94 120.40 114.91 3gpw s VAL 14 Ca 0.35 2.02 -0.23 0.00 0.00 0.00 0.00 61.98 64.12 3gpw s VAL 14 Cb 0.20 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 3gpw s VAL 14 CO 0.21 0.27 0.71 -0.36 0.00 0.00 0.00 175.10 175.93 3gpw s PHE 15 N 0.32 3.47 0.75 5.22 0.08 -1.26 -4.46 117.98 122.10 3gpw s PHE 15 Ca 0.48 1.15 -0.12 0.00 0.12 0.00 0.00 56.93 58.56 3gpw s PHE 15 Cb -0.22 -2.86 0.04 0.00 -0.57 0.00 0.00 43.02 39.41 3gpw s PHE 15 CO 0.28 -0.08 1.11 -1.54 -0.10 0.00 0.00 175.22 174.90 3gpw s SER 16 N 1.01 4.99 0.57 1.36 1.04 -0.18 -4.87 113.70 117.61 3gpw s SER 16 Ca 0.35 1.14 0.28 0.00 0.48 0.00 0.00 55.95 58.20 3gpw s SER 16 Cb -0.17 -1.87 1.48 0.00 0.10 0.00 0.00 66.02 65.56 3gpw s SER 16 CO 0.14 -1.63 1.94 -0.65 0.98 0.00 0.00 173.24 174.02 3gpw h PRO 17 N -0.86 0.00 -0.56 4.02 0.11 -1.97 0.25 132.00 132.99 3gpw h PRO 17 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gpw h PRO 17 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gpw h PRO 17 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3gpw n ASP 18 N -3.98 3.02 -0.16 -2.05 3.85 -1.26 -4.92 116.55 111.05 3gpw n ASP 18 Ca 0.10 -2.20 -0.02 0.00 -0.71 0.00 0.00 54.79 51.95 3gpw n ASP 18 Cb 0.67 -0.42 -0.01 0.00 -1.35 0.00 0.00 41.12 40.01 3gpw n ASP 18 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gpw n GLY 19 N 0.95 0.56 4.01 6.12 0.00 0.87 -5.05 105.19 112.64 3gpw n GLY 19 Ca 0.16 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 3gpw n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gpw s ARG 20 N -1.71 2.85 -0.58 1.61 0.52 -1.25 -4.76 118.95 115.62 3gpw s ARG 20 Ca 0.00 -1.20 0.04 0.00 -0.52 0.00 0.00 55.73 54.05 3gpw s ARG 20 Cb 0.00 -2.76 0.16 0.00 0.52 0.00 0.00 34.95 32.87 3gpw s ARG 20 CO 0.00 -0.25 0.38 1.21 0.02 0.00 0.00 175.30 176.66 3gpw s ASN 21 N -4.34 4.05 0.33 0.23 3.84 -1.26 -1.01 114.94 116.78 3gpw s ASN 21 Ca 0.54 -3.38 0.11 0.00 0.21 0.00 0.00 52.86 50.35 3gpw s ASN 21 Cb -0.10 -1.37 0.99 0.00 -0.55 0.00 0.00 41.25 40.22 3gpw s ASN 21 CO 0.33 -0.15 1.66 -0.26 -2.79 0.00 0.00 177.10 175.89 3gpw h PHE 22 N 5.87 0.81 -0.59 0.43 0.04 -1.82 0.47 116.94 122.14 3gpw h PHE 22 Ca 0.09 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.92 3gpw h PHE 22 Cb 0.83 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 3gpw h PHE 22 CO 0.56 -0.17 0.39 1.96 -0.60 0.00 0.00 178.31 180.45 3gpw h GLN 23 N 0.32 0.75 -0.25 1.51 1.08 -1.85 0.18 115.11 116.86 3gpw h GLN 23 Ca 0.69 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.74 3gpw h GLN 23 Cb 1.52 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 3gpw h GLN 23 CO -0.61 0.50 -0.27 0.28 -0.95 0.00 0.00 178.83 177.77 3gpw h VAL 24 N 0.77 1.27 -0.13 -0.54 2.07 -1.21 -0.81 116.25 117.67 3gpw h VAL 24 Ca 0.22 -1.32 -0.18 0.00 0.82 0.00 0.00 66.70 66.24 3gpw h VAL 24 Cb -0.05 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3gpw h VAL 24 CO -0.05 0.42 -0.68 -0.33 0.02 0.00 0.00 177.57 176.95 3gpw h GLU 25 N 0.43 0.52 0.00 1.57 5.08 -0.92 -2.34 114.58 118.92 3gpw h GLU 25 Ca 0.06 -0.39 -0.10 0.00 -1.00 0.00 0.00 59.36 57.93 3gpw h GLU 25 Cb 0.71 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3gpw h GLU 25 CO 0.05 1.01 -0.48 1.88 -1.00 0.00 0.00 179.01 180.48 3gpw h TYR 26 N 0.37 0.00 -0.58 4.33 0.05 -0.44 -2.17 116.97 118.52 3gpw h TYR 26 Ca -0.02 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.71 3gpw h TYR 26 Cb 1.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.97 3gpw h TYR 26 CO 0.05 0.48 0.17 0.00 -1.05 0.00 0.00 178.16 177.81 3gpw h ALA 27 N 1.52 0.76 -0.94 3.88 0.00 -0.87 -2.17 119.26 121.45 3gpw h ALA 27 Ca -0.00 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.79 3gpw h ALA 27 Cb 0.90 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 3gpw h ALA 27 CO 0.06 0.44 0.60 0.28 0.00 0.00 0.00 179.25 180.63 3gpw h VAL 28 N 0.82 1.01 -0.70 0.00 2.07 -0.86 0.48 116.25 119.07 3gpw h VAL 28 Ca 0.19 -0.34 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3gpw h VAL 28 Cb 0.30 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 3gpw h VAL 28 CO -0.00 0.18 0.46 0.11 0.02 0.00 0.00 177.57 178.34 3gpw h LYS 29 N 1.00 0.71 -0.14 1.57 1.79 -1.12 0.15 116.57 120.53 3gpw h LYS 29 Ca 0.43 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.77 3gpw h LYS 29 Cb 0.33 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3gpw h LYS 29 CO -0.18 0.47 -0.28 0.00 -1.08 0.00 0.00 179.45 178.38 3gpw h ALA 30 N 1.62 1.26 -0.14 3.86 0.00 -0.77 -1.87 119.26 123.22 3gpw h ALA 30 Ca 0.30 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3gpw h ALA 30 Cb 0.25 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gpw h ALA 30 CO -0.10 0.50 -0.50 0.28 0.00 0.00 0.00 179.25 179.43 3gpw h VAL 31 N 0.24 1.34 0.00 0.00 2.07 -0.41 -3.16 116.25 116.33 3gpw h VAL 31 Ca 0.04 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 3gpw h VAL 31 Cb 0.63 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3gpw h VAL 31 CO 0.05 0.54 -0.25 -0.33 0.02 0.00 0.00 177.57 177.60 3gpw h GLU 32 N 0.23 0.00 0.00 1.57 5.08 -0.78 -1.38 114.58 119.30 3gpw h GLU 32 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3gpw h GLU 32 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3gpw h GLU 32 CO 0.11 0.25 0.00 -1.71 -1.00 0.00 0.00 179.01 176.66 3gpw n ASN 33 N -3.77 0.00 -4.71 1.42 2.85 -0.72 -2.80 115.26 107.53 3gpw n ASN 33 Ca -0.01 0.22 -0.25 0.00 -0.11 0.00 0.00 54.58 54.43 3gpw n ASN 33 Cb 0.35 -0.40 0.10 0.00 1.24 0.00 0.00 39.78 41.07 3gpw n ASN 33 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3gpw s GLY 34 N -2.80 1.76 0.73 8.20 0.00 -0.52 -4.81 107.32 109.87 3gpw s GLY 34 Ca 0.19 -1.37 -0.16 0.00 0.00 0.00 0.00 44.72 43.38 3gpw s GLY 34 CO 0.45 -0.86 0.97 2.41 0.00 0.00 0.00 173.10 176.06 3gpw n THR 35 N -2.92 2.74 -3.27 0.90 -1.04 -1.26 -0.07 114.28 109.37 3gpw n THR 35 Ca 0.12 -0.36 -0.37 0.00 -2.04 0.00 0.00 64.05 61.40 3gpw n THR 35 Cb 0.60 -1.10 -0.06 0.00 -1.82 0.00 0.00 70.33 67.96 3gpw n THR 35 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3gpw s THR 36 N -1.83 4.74 0.01 12.58 -1.32 -1.26 -4.13 115.64 124.43 3gpw s THR 36 Ca 0.73 1.11 -0.06 0.00 -1.21 0.00 0.00 61.69 62.26 3gpw s THR 36 Cb -0.34 -3.84 -0.00 0.00 -1.51 0.00 0.00 72.50 66.80 3gpw s THR 36 CO 0.51 0.39 0.10 -0.94 -2.21 0.00 0.00 174.62 172.47 3gpw s SER 37 N -1.41 0.07 0.34 8.08 1.04 -0.68 -1.77 113.70 119.37 3gpw s SER 37 Ca 0.34 -0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.57 3gpw s SER 37 Cb -0.18 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 3gpw s SER 37 CO 0.20 -0.36 0.28 2.30 0.98 0.00 0.00 173.24 176.63 3gpw n ILE 38 N 1.44 0.00 -3.68 -1.02 -5.35 -0.36 -1.64 119.36 108.75 3gpw n ILE 38 Ca -0.23 -2.46 -0.14 0.00 -0.27 0.00 0.00 62.75 59.66 3gpw n ILE 38 Cb 0.55 1.21 -0.09 0.00 -1.74 0.00 0.00 39.64 39.58 3gpw n ILE 38 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gpw s GLY 39 N -3.36 -0.39 -0.07 3.28 0.00 0.06 -2.70 107.32 104.15 3gpw s GLY 39 Ca 0.39 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.46 3gpw s GLY 39 CO 0.28 1.13 -0.04 -0.42 0.00 0.00 0.00 173.10 174.05 3gpw s ILE 40 N -0.03 0.61 -0.12 0.90 1.01 0.29 -1.14 121.20 122.72 3gpw s ILE 40 Ca -0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 3gpw s ILE 40 Cb -0.03 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 3gpw s ILE 40 CO 0.02 0.27 0.61 -0.75 0.00 0.00 0.00 174.94 175.09 3gpw s LYS 41 N 1.36 4.35 0.52 2.79 2.20 -0.66 -0.24 119.74 130.06 3gpw s LYS 41 Ca -0.04 0.68 0.05 0.00 -0.36 0.00 0.00 55.97 56.30 3gpw s LYS 41 Cb -0.13 -3.48 0.05 0.00 -1.51 0.00 0.00 37.83 32.76 3gpw s LYS 41 CO -0.03 0.02 0.39 0.00 -0.36 0.00 0.00 175.35 175.37 3gpw h ASN 43 N 0.62 0.00 0.00 0.00 -0.00 -0.69 -3.20 115.58 112.31 3gpw h ASN 43 Ca -0.33 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 55.88 3gpw h ASN 43 Cb 1.21 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 39.39 3gpw h ASN 43 CO 0.52 0.00 -0.43 -0.90 -0.00 0.00 0.00 177.43 176.62 3gpw n ASP 44 N -2.84 -0.10 -0.15 6.14 3.85 -1.26 -4.96 116.55 117.22 3gpw n ASP 44 Ca -0.02 -1.75 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 3gpw n ASP 44 Cb 0.15 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 3gpw n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gpw n GLY 45 N 0.12 0.98 3.18 6.12 0.00 -1.21 -0.75 105.19 113.62 3gpw n GLY 45 Ca -0.08 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 3gpw n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 46 N -2.15 0.10 -0.02 1.61 -7.23 -0.20 -0.55 120.40 111.96 3gpw s VAL 46 Ca 0.00 -0.80 0.05 0.00 -1.81 0.00 0.00 61.98 59.42 3gpw s VAL 46 Cb 0.00 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.13 3gpw s VAL 46 CO 0.00 -0.44 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.48 3gpw s VAL 47 N -2.23 1.39 0.05 1.32 1.01 0.66 -1.37 120.40 121.23 3gpw s VAL 47 Ca -0.08 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.24 3gpw s VAL 47 Cb -0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3gpw s VAL 47 CO -0.02 0.39 -0.24 -0.36 0.00 0.00 0.00 175.10 174.87 3gpw s PHE 48 N -0.38 2.13 0.01 5.22 0.40 0.98 -0.55 117.98 125.79 3gpw s PHE 48 Ca 0.06 -0.40 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 3gpw s PHE 48 Cb -0.07 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.23 3gpw s PHE 48 CO -0.00 0.14 0.36 0.00 0.70 0.00 0.00 175.22 176.42 3gpw s ALA 49 N -0.84 -0.89 0.02 5.36 0.00 -1.10 -0.54 121.76 123.77 3gpw s ALA 49 Ca 0.10 0.32 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 3gpw s ALA 49 Cb -0.10 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.25 3gpw s ALA 49 CO 0.02 -0.36 0.36 0.54 0.00 0.00 0.00 175.76 176.33 3gpw s VAL 50 N -1.90 0.06 -0.11 0.00 0.11 -0.20 -1.22 120.40 117.14 3gpw s VAL 50 Ca -0.09 -0.51 -0.20 0.00 -2.93 0.00 0.00 61.98 58.25 3gpw s VAL 50 Cb -0.03 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 3gpw s VAL 50 CO 0.01 -0.28 0.56 -0.70 -3.33 0.00 0.00 175.10 171.36 3gpw s GLU 51 N -2.10 4.35 -0.36 1.54 2.12 -0.73 -2.62 118.70 120.91 3gpw s GLU 51 Ca -0.08 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.87 3gpw s GLU 51 Cb -0.02 -3.46 0.10 0.00 0.26 0.00 0.00 34.13 31.01 3gpw s GLU 51 CO -0.00 0.08 0.09 0.15 -0.54 0.00 0.00 175.26 175.04 3gpw s LYS 52 N 0.84 1.60 0.02 4.30 1.02 -0.31 -4.67 119.74 122.53 3gpw s LYS 52 Ca 0.30 -1.88 -0.30 0.00 0.02 0.00 0.00 55.97 54.11 3gpw s LYS 52 Cb -0.16 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.78 3gpw s LYS 52 CO 0.13 -0.97 1.80 -0.51 -0.92 0.00 0.00 175.35 174.88 3gpw s LEU 53 N 0.93 4.38 -1.04 3.17 1.43 -1.26 0.31 118.68 126.61 3gpw s LEU 53 Ca 0.11 2.50 -0.21 0.00 -1.03 0.00 0.00 54.13 55.50 3gpw s LEU 53 Cb -0.20 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.56 3gpw s LEU 53 CO -0.07 -0.98 1.40 -0.63 0.23 0.00 0.00 176.35 176.29 3gpw s ILE 54 N 3.92 4.22 0.29 -0.59 1.01 0.17 -4.84 121.20 125.37 3gpw s ILE 54 Ca 0.81 -1.21 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3gpw s ILE 54 Cb -0.39 -4.99 0.29 0.00 0.01 0.00 0.00 42.46 37.37 3gpw s ILE 54 CO 0.36 -1.82 1.79 0.74 0.00 0.00 0.00 174.94 176.01 3gpw h THR 55 N 6.29 0.78 -2.97 2.92 2.02 -1.91 -3.39 112.91 116.65 3gpw h THR 55 Ca 0.22 -0.28 0.07 0.00 0.77 0.00 0.00 66.41 67.19 3gpw h THR 55 Cb 0.99 -0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3gpw h THR 55 CO 1.34 0.15 0.25 -0.94 0.37 0.00 0.00 175.52 176.69 3gpw s SER 56 N -5.51 -0.23 0.24 4.18 1.04 -1.26 -5.01 113.70 107.16 3gpw s SER 56 Ca -0.12 -0.66 0.21 0.00 0.48 0.00 0.00 55.95 55.87 3gpw s SER 56 Cb 0.24 0.73 0.96 0.00 0.10 0.00 0.00 66.02 68.05 3gpw s SER 56 CO 0.80 -1.37 1.65 0.29 0.98 0.00 0.00 173.24 175.60 3gpw n LYS 57 N -0.47 0.16 0.22 4.02 4.76 -1.26 -2.76 118.16 122.83 3gpw n LYS 57 Ca -0.05 0.46 0.10 0.00 -2.87 0.00 0.00 58.31 55.95 3gpw n LYS 57 Cb 0.59 -1.85 0.45 0.00 -1.84 0.00 0.00 35.03 32.38 3gpw n LYS 57 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3gpw h LEU 58 N 0.00 0.00 -9.37 -0.35 3.38 -1.98 -3.44 115.31 103.55 3gpw h LEU 58 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3gpw h LEU 58 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gpw h LEU 58 CO 0.00 0.24 1.02 -0.76 0.09 0.00 0.00 178.44 179.03 3gpw s LEU 59 N -6.81 4.35 -0.01 1.67 1.02 -1.11 -4.92 118.68 112.86 3gpw s LEU 59 Ca 0.00 2.36 -0.30 0.00 0.02 0.00 0.00 54.13 56.22 3gpw s LEU 59 Cb 0.10 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 42.70 3gpw s LEU 59 CO 0.64 -0.89 1.61 -0.69 0.02 0.00 0.00 176.35 177.04 3gpw s VAL 60 N 3.20 3.43 0.46 -1.59 1.01 -1.26 -4.93 120.40 120.72 3gpw s VAL 60 Ca 0.73 0.70 -0.25 0.00 0.00 0.00 0.00 61.98 63.17 3gpw s VAL 60 Cb -0.37 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3gpw s VAL 60 CO 0.31 -0.03 1.44 -2.84 0.00 0.00 0.00 175.10 173.98 3gpw s PRO 61 N 3.31 3.63 0.00 2.72 0.02 -1.26 -2.69 135.00 140.74 3gpw s PRO 61 Ca 0.72 2.44 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3gpw s PRO 61 Cb -0.35 -2.63 0.00 0.00 0.02 0.00 0.00 34.50 31.54 3gpw s PRO 61 CO 0.30 -0.87 0.00 1.04 -0.33 0.00 0.00 177.00 177.14 3gpw n GLN 62 N -0.26 0.00 -0.04 5.54 1.13 -1.26 -4.85 117.38 117.63 3gpw n GLN 62 Ca 0.05 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.96 3gpw n GLN 62 Cb 0.42 -2.94 -0.13 0.00 0.11 0.00 0.00 30.24 27.70 3gpw n GLN 62 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3gpw h LYS 63 N 1.04 0.07 -4.79 -1.09 1.79 -1.91 -3.40 116.57 108.28 3gpw h LYS 63 Ca 0.00 -0.11 -0.67 0.00 -2.18 0.00 0.00 60.65 57.69 3gpw h LYS 63 Cb 0.00 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.64 3gpw h LYS 63 CO 0.00 1.02 2.60 0.09 -1.08 0.00 0.00 179.45 182.09 3gpw n ASN 64 N -4.52 4.06 -4.76 0.86 3.02 -1.26 -4.96 115.26 107.70 3gpw n ASN 64 Ca -0.11 -2.84 -0.41 0.00 -0.03 0.00 0.00 54.58 51.19 3gpw n ASN 64 Cb 0.54 -1.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.05 3gpw n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gpw s VAL 65 N 4.23 2.39 -0.12 2.41 1.01 -1.26 -4.95 120.40 124.10 3gpw s VAL 65 Ca 0.52 0.37 0.06 0.00 0.00 0.00 0.00 61.98 62.93 3gpw s VAL 65 Cb 0.10 -3.24 -0.12 0.00 0.00 0.00 0.00 36.38 33.12 3gpw s VAL 65 CO 0.00 0.08 -0.03 0.29 0.00 0.00 0.00 175.10 175.44 3gpw n LYS 66 N 1.19 1.42 -2.29 2.72 5.02 -1.26 -4.99 118.16 119.98 3gpw n LYS 66 Ca 0.03 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 3gpw n LYS 66 Cb 0.40 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3gpw n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 67 N -2.28 3.10 0.06 -0.18 1.01 -1.26 -4.83 121.20 116.83 3gpw s ILE 67 Ca -0.11 1.03 0.06 0.00 0.00 0.00 0.00 60.65 61.63 3gpw s ILE 67 Cb 0.04 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3gpw s ILE 67 CO 0.41 0.18 -0.17 -1.10 0.00 0.00 0.00 174.94 174.26 3gpw s GLN 68 N -1.93 1.07 0.05 2.79 -0.21 0.16 -4.98 119.66 116.61 3gpw s GLN 68 Ca 0.51 -0.93 0.00 0.00 0.02 0.00 0.00 55.36 54.97 3gpw s GLN 68 Cb -0.34 -1.17 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 3gpw s GLN 68 CO 0.44 0.28 0.15 0.54 -2.12 0.00 0.00 175.29 174.58 3gpw s VAL 69 N -0.98 5.04 -0.11 1.09 0.11 -1.26 -0.12 120.40 124.18 3gpw s VAL 69 Ca 0.04 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 3gpw s VAL 69 Cb -0.09 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.36 3gpw s VAL 69 CO 0.02 0.20 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.15 3gpw s VAL 70 N -1.40 1.47 0.00 2.04 1.01 0.27 -4.96 120.40 118.83 3gpw s VAL 70 Ca 0.30 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3gpw s VAL 70 Cb -0.13 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3gpw s VAL 70 CO 0.23 0.44 0.00 -0.67 0.00 0.00 0.00 175.10 175.09 3gpw n ASP 71 N 4.24 0.00 0.00 3.32 2.03 -1.26 -2.46 116.55 122.41 3gpw n ASP 71 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 3gpw n ASP 71 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3gpw n ASP 71 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3gpw n ARG 72 N 13.67 1.61 0.00 -0.67 1.74 -1.26 -4.80 116.66 126.95 3gpw n ARG 72 Ca 0.00 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3gpw n ARG 72 Cb 0.00 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3gpw n ARG 72 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 3gpw n HIS 73 N -0.28 0.00 -5.01 -1.55 1.44 -1.23 -1.94 115.22 106.65 3gpw n HIS 73 Ca 0.00 -0.33 -0.28 0.00 -2.01 0.00 0.00 57.72 55.10 3gpw n HIS 73 Cb 0.05 -0.03 -0.16 0.00 0.12 0.00 0.00 29.99 29.97 3gpw n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3gpw s ILE 74 N -0.66 1.66 -0.00 0.61 1.01 -1.03 -3.76 121.20 119.03 3gpw s ILE 74 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.83 3gpw s ILE 74 Cb 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3gpw s ILE 74 CO 0.00 0.47 -0.15 -0.83 0.00 0.00 0.00 174.94 174.43 3gpw s GLY 75 N -0.19 1.58 -0.02 6.18 0.00 -0.39 -0.56 107.32 113.92 3gpw s GLY 75 Ca 0.00 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.66 3gpw s GLY 75 CO 0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 173.10 172.16 3gpw s VAL 77 N 0.29 0.12 0.17 0.00 0.11 -0.14 -0.67 120.40 120.29 3gpw s VAL 77 Ca -0.03 -0.99 -0.13 0.00 -2.93 0.00 0.00 61.98 57.90 3gpw s VAL 77 Cb -0.07 -0.56 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3gpw s VAL 77 CO -0.00 -0.54 0.40 -0.72 -3.33 0.00 0.00 175.10 170.90 3gpw s TYR 78 N -1.93 0.11 -0.02 1.54 -0.85 -1.26 -0.57 117.35 114.37 3gpw s TYR 78 Ca -0.11 -0.46 0.05 0.00 -0.52 0.00 0.00 57.07 56.03 3gpw s TYR 78 Cb -0.06 0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.44 3gpw s TYR 78 CO -0.02 -0.80 -0.18 -1.12 -1.52 0.00 0.00 175.55 171.91 3gpw s SER 79 N -2.91 2.18 0.00 -0.18 0.01 -0.97 -4.90 113.70 106.93 3gpw s SER 79 Ca 0.12 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.04 3gpw s SER 79 Cb 0.01 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.91 3gpw s SER 79 CO -0.03 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.44 3gpw n GLY 80 N 2.76 0.30 3.53 3.44 0.00 -1.26 -2.35 105.19 111.61 3gpw n GLY 80 Ca -0.16 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 3gpw n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 81 N 0.00 3.65 0.21 0.99 1.43 0.49 -4.83 118.68 120.62 3gpw s LEU 81 Ca 0.00 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 3gpw s LEU 81 Cb 0.00 -2.75 0.20 0.00 0.03 0.00 0.00 46.19 43.67 3gpw s LEU 81 CO 0.00 -1.55 1.58 0.40 0.23 0.00 0.00 176.35 177.01 3gpw h ILE 82 N 6.05 0.16 -0.98 -0.59 1.08 -1.93 0.54 117.51 121.83 3gpw h ILE 82 Ca -0.27 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.39 3gpw h ILE 82 Cb 1.06 0.16 -0.10 0.00 -3.07 0.00 0.00 36.82 34.87 3gpw h ILE 82 CO 1.20 0.00 0.61 -0.65 -0.69 0.00 0.00 178.15 178.62 3gpw h PRO 83 N -0.09 0.69 -0.35 2.37 0.11 -1.99 0.39 132.00 133.14 3gpw h PRO 83 Ca 0.29 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3gpw h PRO 83 Cb 0.56 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3gpw h PRO 83 CO -0.77 0.46 -0.04 -0.44 -0.21 0.00 0.00 178.00 177.00 3gpw h ASP 84 N 0.71 0.53 0.09 -2.05 3.45 -1.28 -1.57 116.42 116.30 3gpw h ASP 84 Ca 0.55 -0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.89 3gpw h ASP 84 Cb 0.92 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.56 3gpw h ASP 84 CO -0.32 0.63 -0.04 1.23 -1.57 0.00 0.00 179.24 179.16 3gpw h GLY 85 N 0.89 -0.13 0.68 2.75 0.00 0.14 -1.94 103.07 105.46 3gpw h GLY 85 Ca 0.11 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3gpw h GLY 85 CO 0.02 -0.05 0.10 3.21 0.00 0.00 0.00 176.54 179.82 3gpw h ARG 86 N -0.24 0.23 -0.80 4.80 3.08 -1.06 -1.41 114.38 118.99 3gpw h ARG 86 Ca -0.01 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.20 3gpw h ARG 86 Cb 0.20 -0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.08 3gpw h ARG 86 CO 0.02 0.15 0.27 1.25 -1.07 0.00 0.00 179.97 180.59 3gpw h HIS 87 N 0.24 0.44 -0.53 3.04 2.76 -1.07 0.11 115.15 120.13 3gpw h HIS 87 Ca 0.15 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.25 3gpw h HIS 87 Cb 0.14 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3gpw h HIS 87 CO -0.15 -0.05 -0.13 1.25 -1.30 0.00 0.00 177.93 177.55 3gpw h LEU 88 N 0.34 1.03 -0.56 0.26 5.85 -0.55 -2.63 115.31 119.06 3gpw h LEU 88 Ca 0.46 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3gpw h LEU 88 Cb 0.81 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3gpw h LEU 88 CO -0.50 1.15 0.02 0.58 -0.34 0.00 0.00 178.44 179.35 3gpw h VAL 89 N 0.91 1.26 -0.49 1.05 2.07 -0.02 0.40 116.25 121.44 3gpw h VAL 89 Ca 0.14 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.64 3gpw h VAL 89 Cb 0.70 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3gpw h VAL 89 CO 0.05 0.39 0.15 0.78 0.02 0.00 0.00 177.57 178.97 3gpw h ASN 90 N 0.85 0.13 -0.55 0.57 -0.26 -0.76 0.43 115.58 115.99 3gpw h ASN 90 Ca 0.16 0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.93 3gpw h ASN 90 Cb 0.51 0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 3gpw h ASN 90 CO 0.02 0.10 0.19 -0.09 -1.06 0.00 0.00 177.43 176.59 3gpw h ARG 91 N 0.32 0.84 -0.86 0.81 9.65 -1.19 -1.66 114.38 122.29 3gpw h ARG 91 Ca 0.24 -0.17 0.06 0.00 -1.10 0.00 0.00 59.98 59.00 3gpw h ARG 91 Cb 0.27 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 3gpw h ARG 91 CO -0.26 0.75 0.54 0.78 2.80 0.00 0.00 179.97 184.58 3gpw h GLY 92 N 0.75 1.29 0.97 2.80 0.00 0.65 0.31 103.07 109.83 3gpw h GLY 92 Ca 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3gpw h GLY 92 CO -0.01 0.28 0.19 3.21 0.00 0.00 0.00 176.54 180.21 3gpw h ARG 93 N 0.99 0.72 -0.53 4.80 3.08 0.25 0.16 114.38 123.86 3gpw h ARG 93 Ca 0.37 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 3gpw h ARG 93 Cb 0.14 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3gpw h ARG 93 CO -0.16 0.65 0.06 0.93 -1.07 0.00 0.00 179.97 180.38 3gpw h GLU 94 N 0.64 0.89 -0.87 0.04 5.08 -0.62 -0.12 114.58 119.62 3gpw h GLU 94 Ca 0.16 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3gpw h GLU 94 Cb 0.20 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3gpw h GLU 94 CO -0.01 0.88 0.55 1.49 -1.00 0.00 0.00 179.01 180.92 3gpw h GLU 95 N 0.77 0.99 -0.07 2.33 4.57 -0.04 -0.34 114.58 122.79 3gpw h GLU 95 Ca 0.16 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 58.03 3gpw h GLU 95 Cb 0.44 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3gpw h GLU 95 CO 0.01 0.66 -0.91 0.00 -1.18 0.00 0.00 179.01 177.59 3gpw h ALA 96 N 1.39 0.24 -0.16 2.92 0.00 -0.26 -2.67 119.26 120.71 3gpw h ALA 96 Ca 0.37 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3gpw h ALA 96 Cb 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3gpw h ALA 96 CO -0.15 0.70 0.09 0.00 0.00 0.00 0.00 179.25 179.88 3gpw h ALA 97 N 0.51 0.21 -0.31 0.00 0.00 -0.70 -1.25 119.26 117.72 3gpw h ALA 97 Ca -0.09 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3gpw h ALA 97 Cb 1.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3gpw h ALA 97 CO 0.18 -0.25 -0.05 1.03 0.00 0.00 0.00 179.25 180.16 3gpw h SER 98 N 0.16 -0.23 -0.41 0.00 0.87 -1.11 0.24 113.55 113.07 3gpw h SER 98 Ca 0.06 0.08 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 3gpw h SER 98 Cb 0.08 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3gpw h SER 98 CO -0.01 -0.08 0.23 0.15 -0.53 0.00 0.00 176.83 176.60 3gpw h PHE 99 N 0.03 0.44 -0.48 2.24 3.04 -1.23 -2.21 116.94 118.77 3gpw h PHE 99 Ca 0.15 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.05 3gpw h PHE 99 Cb 0.22 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.57 3gpw h PHE 99 CO -0.27 0.25 0.07 -0.22 -2.02 0.00 0.00 178.31 176.13 3gpw h LYS 100 N 0.47 0.80 -0.92 1.11 3.64 -0.83 -0.28 116.57 120.56 3gpw h LYS 100 Ca 0.17 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 3gpw h LYS 100 Cb 0.03 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 3gpw h LYS 100 CO -0.09 0.81 0.60 -0.22 -2.27 0.00 0.00 179.45 178.28 3gpw h LYS 101 N 0.67 1.00 0.15 1.90 3.64 -0.68 0.90 116.57 124.15 3gpw h LYS 101 Ca 0.15 -0.06 -0.31 0.00 -1.27 0.00 0.00 60.65 59.15 3gpw h LYS 101 Cb 0.40 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3gpw h LYS 101 CO 0.01 0.66 -1.58 1.25 -2.27 0.00 0.00 179.45 177.52 3gpw h LEU 102 N 1.03 0.49 -1.66 5.20 5.85 -1.24 -3.39 115.31 121.59 3gpw h LEU 102 Ca 0.41 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3gpw h LEU 102 Cb 0.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3gpw h LEU 102 CO -0.16 1.70 -0.10 -1.22 -0.34 0.00 0.00 178.44 178.32 3gpw n TYR 103 N -3.77 0.00 0.00 1.25 4.01 -0.13 -4.98 117.16 113.54 3gpw n TYR 103 Ca -0.25 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 3gpw n TYR 103 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.01 3gpw n TYR 103 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3gpw n LYS 104 N 0.96 0.00 -2.81 -0.72 3.00 0.31 -4.92 118.16 113.98 3gpw n LYS 104 Ca 0.12 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 58.03 3gpw n LYS 104 Cb 0.53 -0.11 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 3gpw n LYS 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3gpw s THR 105 N 0.00 4.16 0.57 3.15 -1.32 -1.26 -4.89 115.64 116.05 3gpw s THR 105 Ca 0.00 2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 62.27 3gpw s THR 105 Cb 0.00 -4.28 -0.04 0.00 -1.51 0.00 0.00 72.50 66.67 3gpw s THR 105 CO 0.00 0.50 1.30 -0.81 -2.21 0.00 0.00 174.62 173.40 3gpw n PRO 106 N 1.57 1.48 -1.82 7.08 -0.04 -1.26 -4.31 135.00 137.69 3gpw n PRO 106 Ca -0.03 0.55 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 3gpw n PRO 106 Cb 0.47 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 3gpw n PRO 106 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3gpw s ILE 107 N -1.33 2.28 0.53 0.52 2.07 -1.26 -4.99 121.20 119.03 3gpw s ILE 107 Ca 0.74 0.20 -0.21 0.00 -1.41 0.00 0.00 60.65 59.97 3gpw s ILE 107 Cb -0.41 -3.13 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 3gpw s ILE 107 CO 0.47 0.02 1.25 -2.84 -1.91 0.00 0.00 174.94 171.92 3gpw s PRO 108 N 1.14 3.30 0.23 3.50 0.02 -1.26 -4.81 135.00 137.11 3gpw s PRO 108 Ca 0.73 1.96 -0.08 0.00 0.02 0.00 0.00 61.00 63.62 3gpw s PRO 108 Cb -0.47 -2.21 0.21 0.00 0.02 0.00 0.00 34.50 32.04 3gpw s PRO 108 CO 0.32 -0.98 1.89 0.82 -0.33 0.00 0.00 177.00 178.72 3gpw h ILE 109 N 1.43 1.23 -0.46 2.83 5.03 -1.92 0.87 117.51 126.53 3gpw h ILE 109 Ca -0.50 -0.46 -0.02 0.00 -0.12 0.00 0.00 64.86 63.75 3gpw h ILE 109 Cb 1.28 -0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 35.01 3gpw h ILE 109 CO 0.58 0.23 0.21 -0.65 -0.68 0.00 0.00 178.15 177.84 3gpw h PRO 110 N 1.20 0.66 -0.69 2.37 0.11 -1.98 0.12 132.00 133.80 3gpw h PRO 110 Ca 0.32 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3gpw h PRO 110 Cb -0.10 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 3gpw h PRO 110 CO -0.07 0.57 0.35 0.00 -0.21 0.00 0.00 178.00 178.64 3gpw h ALA 111 N 1.06 0.89 -0.59 -0.75 0.00 -1.83 -2.23 119.26 115.81 3gpw h ALA 111 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3gpw h ALA 111 Cb 0.13 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3gpw h ALA 111 CO -0.02 0.43 0.16 0.35 0.00 0.00 0.00 179.25 180.17 3gpw h PHE 112 N 0.95 0.93 -0.36 0.00 3.57 -0.34 -2.24 116.94 119.46 3gpw h PHE 112 Ca 0.24 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3gpw h PHE 112 Cb 0.09 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 3gpw h PHE 112 CO 0.00 0.77 0.15 0.00 -2.23 0.00 0.00 178.31 177.00 3gpw h ALA 113 N 1.30 0.47 0.00 2.41 0.00 -0.26 -2.21 119.26 120.97 3gpw h ALA 113 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3gpw h ALA 113 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gpw h ALA 113 CO -0.00 0.06 -0.28 0.22 0.00 0.00 0.00 179.25 179.24 3gpw h ASP 114 N 0.44 0.00 -0.46 0.00 -0.00 -1.23 0.24 116.42 115.41 3gpw h ASP 114 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 57.12 3gpw h ASP 114 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.48 3gpw h ASP 114 CO -0.01 0.28 0.15 0.03 -0.00 0.00 0.00 179.24 179.69 3gpw h ARG 115 N 0.00 0.72 -0.28 0.28 2.47 -0.86 0.14 114.38 116.85 3gpw h ARG 115 Ca -0.00 -0.15 -0.16 0.00 -1.26 0.00 0.00 59.98 58.41 3gpw h ARG 115 Cb 0.57 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3gpw h ARG 115 CO 0.04 0.68 -0.46 -0.07 0.56 0.00 0.00 179.97 180.72 3gpw h LEU 116 N 0.61 0.79 0.13 3.04 3.38 -0.82 -2.81 115.31 119.63 3gpw h LEU 116 Ca 0.15 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gpw h LEU 116 Cb 0.26 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gpw h LEU 116 CO -0.01 1.13 -0.06 1.23 0.09 0.00 0.00 178.44 180.82 3gpw h GLY 117 N 0.91 -0.18 1.48 0.83 0.00 -0.11 -1.39 103.07 104.61 3gpw h GLY 117 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3gpw h GLY 117 CO 0.10 -0.07 0.20 1.46 0.00 0.00 0.00 176.54 178.24 3gpw h GLN 118 N -0.28 0.68 -0.26 4.80 1.08 -0.77 0.98 115.11 121.34 3gpw h GLN 118 Ca -0.02 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 3gpw h GLN 118 Cb 0.22 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3gpw h GLN 118 CO 0.03 0.55 -0.05 -0.92 -0.95 0.00 0.00 178.83 177.49 3gpw h TYR 119 N 0.68 0.55 -0.36 2.96 3.20 -1.33 -1.11 116.97 121.56 3gpw h TYR 119 Ca 0.17 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 3gpw h TYR 119 Cb 0.12 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3gpw h TYR 119 CO 0.01 0.70 -0.29 0.28 -1.64 0.00 0.00 178.16 177.22 3gpw h VAL 120 N 0.24 1.28 -0.50 1.81 2.07 -0.89 -2.69 116.25 117.58 3gpw h VAL 120 Ca 0.07 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.17 3gpw h VAL 120 Cb 0.52 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3gpw h VAL 120 CO 0.02 0.48 0.33 -0.61 0.02 0.00 0.00 177.57 177.82 3gpw h GLN 121 N 0.62 0.54 -0.21 1.57 -0.00 -0.76 -0.68 115.11 116.19 3gpw h GLN 121 Ca 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 3gpw h GLN 121 Cb 0.86 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.21 3gpw h GLN 121 CO 0.08 0.35 0.00 0.00 0.00 0.00 0.00 178.83 179.26 3gpw h ALA 122 N 1.71 1.62 -0.03 3.38 0.00 -0.86 -2.14 119.26 122.95 3gpw h ALA 122 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gpw h ALA 122 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gpw h ALA 122 CO -0.05 0.28 0.00 0.72 0.00 0.00 0.00 179.25 180.20 3gpw n HIS 123 N -4.37 0.10 -0.84 0.00 8.25 -0.26 -2.52 115.22 115.58 3gpw n HIS 123 Ca 0.00 -0.04 0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3gpw n HIS 123 Cb 0.18 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.21 3gpw n HIS 123 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gpw n THR 124 N -0.02 0.69 0.61 1.59 -2.24 -0.80 -3.70 114.28 110.41 3gpw n THR 124 Ca 0.01 -0.76 0.09 0.00 -2.27 0.00 0.00 64.05 61.12 3gpw n THR 124 Cb 0.27 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.91 3gpw n THR 124 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gpw n LEU 125 N -0.44 0.61 -4.11 3.22 4.77 -1.05 -4.59 117.00 115.42 3gpw n LEU 125 Ca 0.03 -0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 3gpw n LEU 125 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3gpw n LEU 125 CO 0.00 0.15 -0.38 -0.31 -1.33 0.00 0.00 177.39 175.53 3gpw s TYR 126 N -2.82 0.69 -2.21 -1.77 2.02 -1.26 -4.82 117.35 107.17 3gpw s TYR 126 Ca 0.03 -0.82 0.19 0.00 -0.37 0.00 0.00 57.07 56.10 3gpw s TYR 126 Cb 0.13 -0.43 0.54 0.00 -0.40 0.00 0.00 41.96 41.81 3gpw s TYR 126 CO 0.73 -0.20 1.44 0.27 -1.57 0.00 0.00 175.55 176.22 3gpw n ASN 127 N 0.49 2.43 -0.74 2.29 2.04 -1.26 -3.68 115.26 116.83 3gpw n ASN 127 Ca -0.16 -1.89 0.13 0.00 -0.44 0.00 0.00 54.58 52.21 3gpw n ASN 127 Cb 0.59 -0.22 0.31 0.00 -2.53 0.00 0.00 39.78 37.93 3gpw n ASN 127 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 3gpw n SER 128 N 0.82 2.29 -4.17 0.53 3.41 -1.26 -4.70 113.62 110.54 3gpw n SER 128 Ca 0.17 -1.76 -0.11 0.00 -0.26 0.00 0.00 58.87 56.91 3gpw n SER 128 Cb 0.42 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.24 3gpw n SER 128 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3gpw s VAL 129 N -1.94 0.27 0.05 -3.33 -7.23 -1.24 -5.16 120.40 101.81 3gpw s VAL 129 Ca 0.33 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.63 3gpw s VAL 129 Cb 0.20 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3gpw s VAL 129 CO 0.31 -0.50 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.94 3gpw s ARG 130 N -4.00 2.44 0.90 4.82 3.52 -1.26 -4.75 118.95 120.62 3gpw s ARG 130 Ca 0.23 -0.83 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 3gpw s ARG 130 Cb 0.07 -2.46 0.13 0.00 -1.56 0.00 0.00 34.95 31.13 3gpw s ARG 130 CO 0.02 0.56 1.09 -2.14 -0.81 0.00 0.00 175.30 174.02 3gpw s PRO 131 N -1.86 1.21 0.15 5.12 0.02 -1.24 -4.92 135.00 133.48 3gpw s PRO 131 Ca 0.20 1.01 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 3gpw s PRO 131 Cb -0.11 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.55 3gpw s PRO 131 CO 0.12 -2.33 1.16 -0.06 -0.33 0.00 0.00 177.00 175.56 3gpw s PHE 132 N -2.84 3.49 -0.40 6.54 0.40 -1.26 -4.93 117.98 118.98 3gpw s PHE 132 Ca 0.64 1.46 -0.02 0.00 -0.60 0.00 0.00 56.93 58.40 3gpw s PHE 132 Cb -0.19 -3.37 0.14 0.00 0.51 0.00 0.00 43.02 40.11 3gpw s PHE 132 CO 0.58 -1.00 2.41 0.41 0.70 0.00 0.00 175.22 178.31 3gpw n GLY 133 N 2.41 4.29 3.34 4.36 0.00 -1.26 -4.57 105.19 113.76 3gpw n GLY 133 Ca 0.05 -1.54 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 3gpw n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 134 N -2.34 0.04 -0.07 1.61 -7.23 -1.26 -0.38 120.40 110.78 3gpw s VAL 134 Ca 0.47 -0.37 0.02 0.00 -1.81 0.00 0.00 61.98 60.29 3gpw s VAL 134 Cb 0.32 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 3gpw s VAL 134 CO -0.11 -0.20 -0.12 -0.44 -0.31 0.00 0.00 175.10 173.92 3gpw s SER 135 N -1.72 4.21 -0.07 4.85 0.01 -0.99 -3.95 113.70 116.05 3gpw s SER 135 Ca -0.08 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.05 3gpw s SER 135 Cb -0.02 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.14 3gpw s SER 135 CO 0.01 0.32 -0.19 -0.89 0.41 0.00 0.00 173.24 172.90 3gpw s THR 136 N -0.56 1.60 -0.21 1.44 2.01 -0.32 -2.29 115.64 117.30 3gpw s THR 136 Ca 0.08 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3gpw s THR 136 Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3gpw s THR 136 CO 0.02 0.46 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.77 3gpw s ILE 137 N 0.27 3.79 0.17 1.82 1.01 0.27 0.12 121.20 128.66 3gpw s ILE 137 Ca -0.11 -0.36 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 3gpw s ILE 137 Cb -0.15 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3gpw s ILE 137 CO 0.05 0.41 0.31 0.72 0.00 0.00 0.00 174.94 176.43 3gpw s PHE 138 N 1.27 0.36 -2.78 3.97 -0.12 -0.40 -0.97 117.98 119.31 3gpw s PHE 138 Ca 0.04 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.19 3gpw s PHE 138 Cb -0.15 -0.02 0.00 0.00 -0.63 0.00 0.00 43.02 42.23 3gpw s PHE 138 CO 0.00 -0.75 0.00 0.41 -0.05 0.00 0.00 175.22 174.84 3gpw n GLY 139 N -0.23 -1.61 0.00 1.99 0.00 -0.64 -0.52 105.19 104.18 3gpw n GLY 139 Ca -0.07 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3gpw n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 140 N -0.20 -1.00 3.54 -0.02 0.00 -0.87 -1.26 105.19 105.39 3gpw n GLY 140 Ca 0.00 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3gpw n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 141 N -3.00 3.44 0.00 1.61 1.01 -1.25 -1.44 120.40 120.77 3gpw s VAL 141 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 3gpw s VAL 141 Cb 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3gpw s VAL 141 CO 0.00 0.57 0.00 -0.90 0.00 0.00 0.00 175.10 174.77 3gpw n ASP 142 N 2.16 0.00 -0.49 3.32 3.85 0.09 -4.92 116.55 120.56 3gpw n ASP 142 Ca -0.17 -0.73 0.41 0.00 -0.71 0.00 0.00 54.79 53.58 3gpw n ASP 142 Cb 0.53 0.00 0.69 0.00 -1.35 0.00 0.00 41.12 40.99 3gpw n ASP 142 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 3gpw h LYS 143 N 0.00 0.02 -2.02 0.11 3.64 -1.97 -2.95 116.57 113.40 3gpw h LYS 143 Ca 0.00 -0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3gpw h LYS 143 Cb 0.00 -0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 31.42 3gpw h LYS 143 CO 0.00 0.01 -1.06 0.27 -2.27 0.00 0.00 179.45 176.40 3gpw n ASN 144 N -4.64 0.68 0.00 4.20 0.23 -1.26 -5.12 115.26 109.35 3gpw n ASN 144 Ca 0.40 -2.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.63 3gpw n ASN 144 Cb 1.59 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 38.65 3gpw n ASN 144 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gpw n GLY 145 N 1.19 -1.15 3.77 4.83 0.00 -1.11 -5.01 105.19 107.70 3gpw n GLY 145 Ca 0.23 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.86 3gpw n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 146 N -2.00 3.49 -0.11 4.61 0.00 -1.26 -0.73 121.76 125.75 3gpw s ALA 146 Ca 0.00 -1.27 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 3gpw s ALA 146 Cb 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 23.12 21.88 3gpw s ALA 146 CO 0.00 0.48 0.27 -1.01 0.00 0.00 0.00 175.76 175.50 3gpw s HIS 147 N -1.78 -0.34 0.04 0.00 4.02 -0.52 -4.99 115.29 111.72 3gpw s HIS 147 Ca 0.30 0.80 0.09 0.00 1.02 0.00 0.00 55.06 57.26 3gpw s HIS 147 Cb -0.10 0.09 -0.03 0.00 -1.02 0.00 0.00 32.58 31.52 3gpw s HIS 147 CO 0.22 -0.20 -0.24 -1.17 1.02 0.00 0.00 174.74 174.38 3gpw s LEU 148 N 0.75 2.31 0.04 0.89 2.96 -1.26 -2.05 118.68 122.32 3gpw s LEU 148 Ca -0.05 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 3gpw s LEU 148 Cb -0.06 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3gpw s LEU 148 CO -0.05 0.26 0.21 -0.31 -1.32 0.00 0.00 176.35 175.14 3gpw s TYR 149 N -0.84 0.05 -0.03 5.38 2.02 0.32 -1.20 117.35 123.05 3gpw s TYR 149 Ca 0.13 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.56 3gpw s TYR 149 Cb -0.10 -0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.46 3gpw s TYR 149 CO 0.03 -0.45 -0.04 1.41 -1.57 0.00 0.00 175.55 174.93 3gpw s MET 150 N -2.66 0.64 -0.17 -0.62 -2.45 -1.20 -1.28 119.30 111.55 3gpw s MET 150 Ca -0.04 -0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.31 3gpw s MET 150 Cb -0.01 -0.67 0.02 0.00 1.25 0.00 0.00 34.83 35.42 3gpw s MET 150 CO -0.04 -0.04 -0.20 -1.17 1.05 0.00 0.00 175.02 174.62 3gpw s LEU 151 N 0.66 2.14 0.50 4.11 2.96 0.12 -3.37 118.68 125.80 3gpw s LEU 151 Ca -0.08 -0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 53.16 3gpw s LEU 151 Cb -0.11 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3gpw s LEU 151 CO -0.00 0.02 0.78 -1.61 -1.32 0.00 0.00 176.35 174.22 3gpw s GLU 152 N 1.19 3.19 0.44 1.98 0.41 0.38 -1.18 118.70 125.11 3gpw s GLU 152 Ca 0.03 -0.09 0.27 0.00 -0.41 0.00 0.00 54.97 54.76 3gpw s GLU 152 Cb -0.14 -2.40 1.45 0.00 -1.78 0.00 0.00 34.13 31.26 3gpw s GLU 152 CO -0.11 -0.38 1.80 -1.35 -0.49 0.00 0.00 175.26 174.73 3gpw h PRO 153 N 0.16 0.00 0.00 0.39 0.11 -1.81 0.21 132.00 131.06 3gpw h PRO 153 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gpw h PRO 153 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gpw h PRO 153 CO 0.60 0.00 -0.03 -1.13 -0.21 0.00 0.00 178.00 177.23 3gpw n SER 154 N -2.48 0.40 0.00 -2.05 3.41 -1.26 -4.52 113.62 107.12 3gpw n SER 154 Ca -0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 3gpw n SER 154 Cb 0.12 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3gpw n SER 154 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpw n GLY 155 N 1.41 0.35 3.76 5.00 0.00 0.73 -4.42 105.19 112.02 3gpw n GLY 155 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3gpw n GLY 155 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gpw s SER 156 N -2.36 6.97 0.01 1.61 0.15 -1.25 -4.72 113.70 114.10 3gpw s SER 156 Ca 0.00 2.51 -0.25 0.00 0.70 0.00 0.00 55.95 58.91 3gpw s SER 156 Cb 0.00 -2.64 0.06 0.00 -1.71 0.00 0.00 66.02 61.73 3gpw s SER 156 CO 0.00 -0.39 0.57 -0.72 1.20 0.00 0.00 173.24 173.90 3gpw s TYR 157 N -1.05 -0.50 0.17 3.44 -0.85 -1.26 -0.47 117.35 116.83 3gpw s TYR 157 Ca 0.48 0.71 -0.07 0.00 -0.52 0.00 0.00 57.07 57.67 3gpw s TYR 157 Cb -0.37 0.35 -0.02 0.00 0.38 0.00 0.00 41.96 42.31 3gpw s TYR 157 CO 0.47 -0.61 0.24 -1.58 -1.52 0.00 0.00 175.55 172.55 3gpw s TRP 158 N -1.86 0.55 0.15 -3.49 0.52 -1.22 -5.01 118.94 108.58 3gpw s TRP 158 Ca -0.08 -0.90 -0.25 0.00 0.02 0.00 0.00 56.10 54.89 3gpw s TRP 158 Cb -0.01 -0.16 -0.08 0.00 -1.15 0.00 0.00 33.47 32.07 3gpw s TRP 158 CO 0.03 -0.69 0.76 0.20 0.02 0.00 0.00 176.95 177.27 3gpw s GLY 159 N -3.00 2.90 0.25 0.98 0.00 -1.26 -3.26 107.32 103.92 3gpw s GLY 159 Ca 0.21 0.34 0.09 0.00 0.00 0.00 0.00 44.72 45.35 3gpw s GLY 159 CO 0.02 0.86 -0.15 -0.19 0.00 0.00 0.00 173.10 173.64 3gpw s TYR 160 N -1.06 1.98 -0.07 1.90 1.51 -0.34 -4.97 117.35 116.31 3gpw s TYR 160 Ca 0.36 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3gpw s TYR 160 Cb -0.23 -0.93 -0.24 0.00 -0.11 0.00 0.00 41.96 40.45 3gpw s TYR 160 CO 0.26 0.49 0.57 1.63 -1.11 0.00 0.00 175.55 177.39 3gpw n LYS 161 N -0.51 0.68 -3.49 -0.62 5.02 -1.26 -4.25 118.16 113.72 3gpw n LYS 161 Ca -0.06 0.29 -0.15 0.00 -2.02 0.00 0.00 58.31 56.37 3gpw n LYS 161 Cb 0.61 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.80 3gpw n LYS 161 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gpw s GLY 162 N -5.26 -0.57 0.00 0.72 0.00 -1.26 -1.65 107.32 99.30 3gpw s GLY 162 Ca -0.11 0.88 -0.24 0.00 0.00 0.00 0.00 44.72 45.25 3gpw s GLY 162 CO 0.81 0.54 0.54 0.00 0.00 0.00 0.00 173.10 174.99 3gpw s ALA 163 N -2.38 -1.39 0.06 3.20 0.00 -0.29 -4.98 121.76 115.98 3gpw s ALA 163 Ca -0.05 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 3gpw s ALA 163 Cb -0.01 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3gpw s ALA 163 CO -0.01 -0.41 0.32 0.00 0.00 0.00 0.00 175.76 175.67 3gpw s ALA 164 N -1.77 -0.72 0.16 0.00 0.00 -1.26 -0.76 121.76 117.41 3gpw s ALA 164 Ca -0.09 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 3gpw s ALA 164 Cb -0.01 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.57 3gpw s ALA 164 CO 0.04 -0.47 0.51 -0.08 0.00 0.00 0.00 175.76 175.75 3gpw s THR 165 N -2.95 0.03 0.00 0.00 -1.32 -0.65 -4.92 115.64 105.83 3gpw s THR 165 Ca -0.02 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.02 3gpw s THR 165 Cb 0.00 -1.23 0.00 0.00 -1.51 0.00 0.00 72.50 69.76 3gpw s THR 165 CO -0.06 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 3gpw n GLY 166 N -0.32 -1.44 0.41 6.08 0.00 -1.26 -1.69 105.19 106.98 3gpw n GLY 166 Ca -0.15 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 3gpw n GLY 166 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gpw h LYS 167 N 1.12 -0.08 -1.01 1.61 1.63 -0.31 -2.22 116.57 117.30 3gpw h LYS 167 Ca 0.00 0.01 -0.62 0.00 -0.85 0.00 0.00 60.65 59.18 3gpw h LYS 167 Cb 0.00 0.02 -0.29 0.00 -0.60 0.00 0.00 32.23 31.36 3gpw h LYS 167 CO 0.00 -0.06 0.80 0.41 -3.45 0.00 0.00 179.45 177.16 3gpw n GLY 168 N -1.33 5.44 0.31 5.01 0.00 -1.26 -4.67 105.19 108.68 3gpw n GLY 168 Ca 0.03 -1.93 0.03 0.00 0.00 0.00 0.00 46.02 44.15 3gpw n GLY 168 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gpw h ARG 169 N 1.70 0.61 -0.22 1.61 0.11 -1.63 -2.40 114.38 114.16 3gpw h ARG 169 Ca 0.61 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 60.60 3gpw h ARG 169 Cb 1.41 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 3gpw h ARG 169 CO 1.44 0.43 -0.03 1.96 0.10 0.00 0.00 179.97 183.87 3gpw h GLN 170 N 0.63 0.40 0.11 0.08 7.50 -1.85 0.42 115.11 122.40 3gpw h GLN 170 Ca 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 58.65 59.17 3gpw h GLN 170 Cb -0.02 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.47 3gpw h GLN 170 CO -0.03 0.62 -0.09 0.77 -1.50 0.00 0.00 178.83 178.61 3gpw h SER 171 N 0.14 -0.22 0.25 1.46 0.02 -1.90 0.32 113.55 113.62 3gpw h SER 171 Ca 0.06 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3gpw h SER 171 Cb 0.46 0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3gpw h SER 171 CO 0.02 -0.14 -0.41 0.00 -1.14 0.00 0.00 176.83 175.16 3gpw h ALA 172 N 0.68 -0.80 -0.98 3.77 0.00 -1.33 0.10 119.26 120.71 3gpw h ALA 172 Ca -0.00 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 172 Cb 0.18 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.51 3gpw h ALA 172 CO -0.01 -1.00 0.59 0.87 0.00 0.00 0.00 179.25 179.70 3gpw h LYS 173 N -0.73 0.79 0.22 0.00 1.57 0.02 0.33 116.57 118.78 3gpw h LYS 173 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3gpw h LYS 173 Cb 0.70 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3gpw h LYS 173 CO -0.16 0.52 -0.11 0.00 -0.57 0.00 0.00 179.45 179.14 3gpw h ALA 174 N 1.60 -0.30 -0.82 3.86 0.00 0.12 0.75 119.26 124.47 3gpw h ALA 174 Ca 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3gpw h ALA 174 Cb 0.75 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3gpw h ALA 174 CO -0.35 -0.67 0.53 0.93 0.00 0.00 0.00 179.25 179.69 3gpw h GLU 175 N -0.30 1.09 -0.67 0.00 4.39 0.51 -2.43 114.58 117.17 3gpw h GLU 175 Ca -0.03 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 3gpw h GLU 175 Cb 0.23 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3gpw h GLU 175 CO 0.05 0.74 0.39 -0.07 -1.16 0.00 0.00 179.01 178.96 3gpw h LEU 176 N 1.11 0.81 -1.55 1.33 -0.00 -0.06 -2.26 115.31 114.70 3gpw h LEU 176 Ca 0.30 -0.07 -0.04 0.00 -0.00 0.00 0.00 57.88 58.06 3gpw h LEU 176 Cb -0.10 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.35 3gpw h LEU 176 CO -0.06 0.65 -0.18 -0.33 -0.00 0.00 0.00 178.44 178.51 3gpw h GLU 177 N 0.91 0.06 0.10 1.13 5.08 -0.44 -1.72 114.58 119.69 3gpw h GLU 177 Ca 0.24 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3gpw h GLU 177 Cb -0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3gpw h GLU 177 CO -0.04 0.25 -0.05 0.87 -1.00 0.00 0.00 179.01 179.03 3gpw h LYS 178 N 0.06 -0.13 -0.85 2.33 1.57 -0.95 -2.56 116.57 116.03 3gpw h LYS 178 Ca 0.01 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3gpw h LYS 178 Cb 0.36 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 3gpw h LYS 178 CO 0.02 0.09 0.52 -0.07 -0.57 0.00 0.00 179.45 179.44 3gpw h LEU 179 N -0.34 0.79 -1.09 2.94 3.38 -1.11 -2.00 115.31 117.88 3gpw h LEU 179 Ca -0.01 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3gpw h LEU 179 Cb 0.28 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3gpw h LEU 179 CO 0.02 0.49 0.62 0.58 0.09 0.00 0.00 178.44 180.24 3gpw h VAL 180 N 0.92 1.16 0.00 1.22 2.07 -1.13 -2.00 116.25 118.49 3gpw h VAL 180 Ca 0.38 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3gpw h VAL 180 Cb 0.23 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 3gpw h VAL 180 CO -0.20 0.22 0.00 0.47 0.02 0.00 0.00 177.57 178.08 3gpw n ASP 18 N -4.44 2.59 0.00 0.57 8.00 -0.75 -4.01 116.55 118.51 3gpw n ASP 18 Ca 0.12 -1.75 0.00 0.00 0.71 0.00 0.00 54.79 53.88 3gpw n ASP 18 Cb 0.10 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 3gpw n ASP 18 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gpw n HIS 18 N 0.55 0.00 0.31 1.24 8.25 -0.75 -5.03 115.22 119.79 3gpw n HIS 18 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 3gpw n HIS 18 Cb 0.43 0.00 0.62 0.00 1.12 0.00 0.00 29.99 32.16 3gpw n HIS 18 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gpw h PRO 18 N 0.00 0.00 0.00 -0.41 0.13 -1.84 -2.39 132.00 127.49 3gpw h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3gpw h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3gpw h PRO 18 CO 0.00 0.00 -0.58 1.05 -0.23 0.00 0.00 178.00 178.24 3gpw h GLU 18 N 0.00 0.00 0.00 0.86 -0.00 -1.95 -3.50 114.58 109.99 3gpw h GLU 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3gpw h GLU 18 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.00 3gpw h GLU 18 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 3gpw n GLY 18 N 1.15 3.08 3.87 1.06 0.00 -0.90 -4.97 105.19 108.49 3gpw n GLY 18 Ca 0.02 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 3gpw n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gpw s LEU 184 N 0.00 3.97 0.35 0.99 2.96 -1.26 -4.80 118.68 120.89 3gpw s LEU 184 Ca 0.00 1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3gpw s LEU 184 Cb 0.00 -3.90 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 3gpw s LEU 184 CO 0.00 -0.28 0.58 -0.94 -1.32 0.00 0.00 176.35 174.39 3gpw s SER 185 N -2.85 6.31 0.18 3.68 1.04 -1.26 0.05 113.70 120.85 3gpw s SER 185 Ca 0.50 0.55 -0.14 0.00 0.48 0.00 0.00 55.95 57.34 3gpw s SER 185 Cb -0.10 -2.08 0.14 0.00 0.10 0.00 0.00 66.02 64.08 3gpw s SER 185 CO 0.27 -0.31 1.74 0.00 0.98 0.00 0.00 173.24 175.91 3gpw h ALA 186 N 0.83 0.53 -0.35 5.32 0.00 -1.96 0.34 119.26 123.98 3gpw h ALA 186 Ca -0.49 0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.56 3gpw h ALA 186 Cb 1.21 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3gpw h ALA 186 CO 0.62 -0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 3gpw h ARG 187 N 0.28 0.03 -0.12 0.00 -0.00 -2.01 -1.28 114.38 111.28 3gpw h ARG 187 Ca 0.22 -0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.68 3gpw h ARG 187 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.21 3gpw h ARG 187 CO -0.25 0.02 0.02 0.93 0.00 0.00 0.00 179.97 180.69 3gpw h GLU 188 N 0.03 0.21 -0.89 0.04 4.39 -1.74 -3.08 114.58 113.54 3gpw h GLU 188 Ca 0.17 -0.06 0.14 0.00 0.34 0.00 0.00 59.36 59.95 3gpw h GLU 188 Cb 0.25 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.80 3gpw h GLU 188 CO -0.33 0.40 0.58 0.00 -1.16 0.00 0.00 179.01 178.50 3gpw h ALA 189 N 0.80 1.82 -0.28 3.43 0.00 0.00 0.11 119.26 125.14 3gpw h ALA 189 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 189 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gpw h ALA 189 CO 0.00 -0.07 0.18 0.28 0.00 0.00 0.00 179.25 179.65 3gpw h VAL 190 N 0.70 1.08 0.24 0.00 2.07 -1.15 0.25 116.25 119.44 3gpw h VAL 190 Ca 0.45 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 3gpw h VAL 190 Cb 0.72 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3gpw h VAL 190 CO -0.21 0.08 -0.11 0.11 0.02 0.00 0.00 177.57 177.46 3gpw h LYS 191 N 0.37 -0.31 -0.71 1.57 1.57 -1.19 -1.65 116.57 116.22 3gpw h LYS 191 Ca 0.10 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.05 3gpw h LYS 191 Cb -0.02 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.26 3gpw h LYS 191 CO -0.02 -0.02 0.21 0.37 -0.57 0.00 0.00 179.45 179.41 3gpw h GLN 192 N -0.59 0.31 0.09 3.15 5.75 -0.73 -0.40 115.11 122.69 3gpw h GLN 192 Ca -0.03 -0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3gpw h GLN 192 Cb 0.43 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 3gpw h GLN 192 CO 0.05 0.21 -0.19 0.00 -2.65 0.00 0.00 178.83 176.25 3gpw h ALA 193 N 1.56 -0.31 -1.00 3.38 0.00 -0.35 -0.56 119.26 121.99 3gpw h ALA 193 Ca 0.40 -0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.49 3gpw h ALA 193 Cb 0.64 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3gpw h ALA 193 CO -0.46 -0.72 0.61 0.00 0.00 0.00 0.00 179.25 178.69 3gpw h ALA 194 N 0.47 1.80 0.48 0.00 0.00 -0.14 -1.71 119.26 120.15 3gpw h ALA 194 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gpw h ALA 194 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3gpw h ALA 194 CO -0.12 -0.18 -0.23 -0.22 0.00 0.00 0.00 179.25 178.50 3gpw h LYS 195 N 0.67 -0.62 -0.96 0.00 3.64 -0.22 -2.68 116.57 116.40 3gpw h LYS 195 Ca 0.58 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 60.24 3gpw h LYS 195 Cb 1.03 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.86 3gpw h LYS 195 CO -0.36 -0.32 0.52 0.82 -2.27 0.00 0.00 179.45 177.83 3gpw h ILE 196 N -1.01 0.49 -0.26 2.00 2.04 -0.36 0.15 117.51 120.56 3gpw h ILE 196 Ca -0.07 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3gpw h ILE 196 Cb 0.59 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3gpw h ILE 196 CO 0.11 0.09 0.03 0.40 0.00 0.00 0.00 178.15 178.78 3gpw h ILE 197 N 0.49 1.24 -0.02 -0.67 5.03 -1.35 -0.19 117.51 122.04 3gpw h ILE 197 Ca 0.62 -0.82 0.02 0.00 -0.12 0.00 0.00 64.86 64.56 3gpw h ILE 197 Cb 1.20 1.27 -0.03 0.00 -3.03 0.00 0.00 36.82 36.24 3gpw h ILE 197 CO -0.51 0.26 -0.11 1.88 -0.68 0.00 0.00 178.15 178.99 3gpw h TYR 198 N 0.24 -0.29 0.07 1.37 -1.99 -0.51 0.57 116.97 116.44 3gpw h TYR 198 Ca 0.08 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 3gpw h TYR 198 Cb 0.36 0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 3gpw h TYR 198 CO 0.03 -0.17 -0.06 -0.07 -0.00 0.00 0.00 178.16 177.89 3gpw h LEU 199 N -0.18 -0.15 -0.64 3.88 4.07 -0.76 -2.06 115.31 119.47 3gpw h LEU 199 Ca 0.05 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3gpw h LEU 199 Cb 0.25 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3gpw h LEU 199 CO -0.13 -0.08 0.48 0.00 -1.08 0.00 0.00 178.44 177.62 3gpw h ALA 201 N -1.73 1.34 0.00 1.53 0.00 -0.96 0.17 119.26 119.61 3gpw h ALA 201 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gpw h ALA 201 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gpw h ALA 201 CO 0.00 -0.34 0.00 1.58 0.00 0.00 0.00 179.25 180.49 3gpw n HIS 202 N -2.04 0.00 -0.07 0.00 -0.00 0.18 -3.17 115.22 110.13 3gpw n HIS 202 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.72 3gpw n HIS 202 Cb 0.49 -0.43 0.30 0.00 -0.00 0.00 0.00 29.99 30.35 3gpw n HIS 202 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3gpw h GLU 203 N 0.00 0.68 -0.47 1.57 3.07 -0.77 -0.70 114.58 117.96 3gpw h GLU 203 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3gpw h GLU 203 Cb 0.27 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3gpw h GLU 203 CO 0.00 0.56 0.00 -0.25 -1.40 0.00 0.00 179.01 177.92 3gpw n ASP 204 N -4.36 0.47 -0.34 1.42 9.92 -1.19 -1.59 116.55 120.88 3gpw n ASP 204 Ca 0.04 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 53.15 3gpw n ASP 204 Cb 0.15 -0.23 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 3gpw n ASP 204 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3gpw n ASN 205 N 0.08 0.00 0.02 -2.24 4.05 -0.72 -4.87 115.26 111.59 3gpw n ASN 205 Ca 0.00 -0.74 0.01 0.00 0.45 0.00 0.00 54.58 54.30 3gpw n ASN 205 Cb 0.12 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.17 3gpw n ASN 205 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 3gpw n LYS 206 N 0.00 0.01 -0.08 1.20 2.85 -0.35 -1.95 118.16 119.84 3gpw n LYS 206 Ca 0.00 0.31 -0.11 0.00 -1.05 0.00 0.00 58.31 57.46 3gpw n LYS 206 Cb 0.37 -1.78 0.03 0.00 -0.65 0.00 0.00 35.03 33.00 3gpw n LYS 206 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 3gpw h GLU 20 N 0.00 0.80 -6.11 -1.58 4.11 -1.86 -3.44 114.58 106.49 3gpw h GLU 20 Ca 0.00 -0.40 -0.65 0.00 0.07 0.00 0.00 59.36 58.38 3gpw h GLU 20 Cb 0.50 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 3gpw h GLU 20 CO 0.00 1.03 -0.59 0.15 0.07 0.00 0.00 179.01 179.67 3gpw s LYS 20 N -4.37 2.95 0.60 1.06 1.02 -0.82 -5.11 119.74 115.07 3gpw s LYS 20 Ca -0.10 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.17 3gpw s LYS 20 Cb 0.12 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 3gpw s LYS 20 CO 0.86 0.60 1.02 0.34 -0.92 0.00 0.00 175.35 177.24 3gpw s ASP 207 N -2.12 6.31 0.29 2.83 3.68 -1.26 -4.89 116.67 121.50 3gpw s ASP 207 Ca 0.27 1.44 0.04 0.00 2.13 0.00 0.00 52.55 56.43 3gpw s ASP 207 Cb -0.12 -2.47 -0.03 0.00 -1.45 0.00 0.00 42.92 38.84 3gpw s ASP 207 CO 0.19 -0.81 0.26 0.72 0.13 0.00 0.00 175.17 175.65 3gpw s PHE 208 N -3.07 1.51 -0.06 -5.34 -0.12 -1.26 0.42 117.98 110.06 3gpw s PHE 208 Ca 0.56 -1.54 0.03 0.00 -0.05 0.00 0.00 56.93 55.93 3gpw s PHE 208 Cb -0.11 -0.60 0.01 0.00 -0.63 0.00 0.00 43.02 41.69 3gpw s PHE 208 CO 0.50 -0.83 -0.13 -2.00 -0.05 0.00 0.00 175.22 172.70 3gpw s GLU 209 N -3.63 1.70 0.14 1.99 2.12 0.15 -4.80 118.70 116.37 3gpw s GLU 209 Ca 0.39 -0.46 -0.17 0.00 0.36 0.00 0.00 54.97 55.09 3gpw s GLU 209 Cb 0.03 -1.42 -0.07 0.00 0.26 0.00 0.00 34.13 32.93 3gpw s GLU 209 CO 0.22 0.09 0.59 -1.17 -0.54 0.00 0.00 175.26 174.46 3gpw s LEU 210 N 0.47 4.40 -0.03 2.70 2.96 -1.26 -1.17 118.68 126.75 3gpw s LEU 210 Ca -0.11 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 3gpw s LEU 210 Cb -0.14 -3.22 0.03 0.00 0.50 0.00 0.00 46.19 43.36 3gpw s LEU 210 CO 0.03 0.14 0.01 -0.70 -1.32 0.00 0.00 176.35 174.52 3gpw s GLU 211 N -1.69 0.15 0.07 1.98 2.12 -1.08 -5.00 118.70 115.25 3gpw s GLU 211 Ca 0.36 0.13 0.03 0.00 0.36 0.00 0.00 54.97 55.84 3gpw s GLU 211 Cb -0.17 -0.38 -0.03 0.00 0.26 0.00 0.00 34.13 33.81 3gpw s GLU 211 CO 0.20 -0.15 -0.09 0.42 -0.54 0.00 0.00 175.26 175.10 3gpw s ILE 212 N 1.05 0.71 0.09 -3.70 1.01 -1.26 -1.03 121.20 118.06 3gpw s ILE 212 Ca -0.09 -1.40 -0.15 0.00 0.00 0.00 0.00 60.65 59.01 3gpw s ILE 212 Cb -0.13 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.33 3gpw s ILE 212 CO -0.02 -0.51 0.35 -0.94 0.00 0.00 0.00 174.94 173.82 3gpw s SER 213 N -2.08 -0.17 0.19 3.58 1.04 0.29 -1.57 113.70 114.98 3gpw s SER 213 Ca -0.01 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 55.99 3gpw s SER 213 Cb -0.05 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3gpw s SER 213 CO -0.01 -0.75 0.45 -1.66 0.98 0.00 0.00 173.24 172.26 3gpw s TRP 214 N -3.31 0.05 -0.23 5.02 1.48 -0.29 -0.02 118.94 121.64 3gpw s TRP 214 Ca 0.00 -0.40 -0.04 0.00 -1.06 0.00 0.00 56.10 54.60 3gpw s TRP 214 Cb 0.01 0.26 0.09 0.00 -1.16 0.00 0.00 33.47 32.67 3gpw s TRP 214 CO -0.08 -0.87 0.17 0.00 -4.06 0.00 0.00 176.95 172.11 3gpw s SER 216 N 2.22 1.67 0.31 0.00 0.15 -1.26 -1.03 113.70 115.76 3gpw s SER 216 Ca 0.06 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.47 3gpw s SER 216 Cb -0.16 -0.58 0.60 0.00 -1.71 0.00 0.00 66.02 64.17 3gpw s SER 216 CO -0.20 0.07 1.88 0.25 1.20 0.00 0.00 173.24 176.44 3gpw h LEU 217 N 6.59 0.86 0.09 3.45 5.85 -1.29 0.65 115.31 131.52 3gpw h LEU 217 Ca -0.32 0.03 -0.36 0.00 0.84 0.00 0.00 57.88 58.06 3gpw h LEU 217 Cb 1.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 3gpw h LEU 217 CO 0.48 0.50 -2.02 -1.54 -0.34 0.00 0.00 178.44 175.52 3gpw n SER 218 N -4.55 1.91 0.06 1.25 3.41 -1.26 -3.19 113.62 111.24 3gpw n SER 218 Ca 0.16 0.20 -0.05 0.00 -0.26 0.00 0.00 58.87 58.92 3gpw n SER 218 Cb 0.31 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.49 3gpw n SER 218 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3gpw h GLU 21 N 0.05 0.00 0.00 4.33 4.39 -1.91 -3.39 114.58 118.06 3gpw h GLU 21 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3gpw h GLU 21 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3gpw h GLU 21 CO 0.07 0.76 0.00 0.25 -1.16 0.00 0.00 179.01 178.93 3gpw n THR 21 N -3.23 0.39 -1.29 1.13 -2.24 0.12 -4.94 114.28 104.23 3gpw n THR 21 Ca -0.04 -0.44 -0.10 0.00 -2.27 0.00 0.00 64.05 61.20 3gpw n THR 21 Cb 0.92 0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 70.02 3gpw n THR 21 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gpw n ASN 21 N -0.19 -4.25 0.00 3.42 4.13 -0.69 -2.21 115.26 115.47 3gpw n ASN 21 Ca 0.00 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.50 3gpw n ASN 21 Cb 0.33 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 35.95 3gpw n ASN 21 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gpw n GLY 219 N -1.69 0.57 3.65 7.41 0.00 -0.61 -4.89 105.19 109.63 3gpw n GLY 219 Ca -0.10 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3gpw n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 220 N 0.00 3.41 -0.03 0.99 1.43 -0.94 -4.62 118.68 118.92 3gpw s LEU 220 Ca 0.00 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 3gpw s LEU 220 Cb 0.00 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3gpw s LEU 220 CO 0.00 0.32 1.22 -2.28 0.23 0.00 0.00 176.35 175.84 3gpw s HIS 221 N -0.96 3.19 0.03 0.29 5.65 -0.82 -4.46 115.29 118.20 3gpw s HIS 221 Ca 0.16 1.18 0.00 0.00 0.25 0.00 0.00 55.06 56.66 3gpw s HIS 221 Cb -0.11 -3.45 -0.02 0.00 -1.18 0.00 0.00 32.58 27.82 3gpw s HIS 221 CO 0.06 -1.43 -0.04 0.15 -0.65 0.00 0.00 174.74 172.83 3gpw s LYS 222 N 2.07 0.40 0.22 2.88 1.02 -0.42 -4.95 119.74 120.96 3gpw s LYS 222 Ca 0.57 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.63 3gpw s LYS 222 Cb -0.26 0.04 -0.08 0.00 -0.52 0.00 0.00 37.83 37.00 3gpw s LYS 222 CO 0.23 -0.04 0.72 -0.06 -0.92 0.00 0.00 175.35 175.28 3gpw s PHE 223 N -1.81 3.65 -0.24 3.18 0.40 -1.26 -1.14 117.98 120.76 3gpw s PHE 223 Ca -0.11 1.37 -0.25 0.00 -0.60 0.00 0.00 56.93 57.34 3gpw s PHE 223 Cb -0.07 -2.61 -0.00 0.00 0.51 0.00 0.00 43.02 40.85 3gpw s PHE 223 CO -0.02 0.34 0.86 0.08 0.70 0.00 0.00 175.22 177.19 3gpw s VAL 224 N -1.51 4.82 0.36 -0.44 1.01 -0.61 -4.92 120.40 119.10 3gpw s VAL 224 Ca 0.43 1.64 0.03 0.00 0.00 0.00 0.00 61.98 64.08 3gpw s VAL 224 Cb -0.17 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3gpw s VAL 224 CO 0.21 -0.08 0.11 -0.54 0.00 0.00 0.00 175.10 174.80 3gpw s LYS 225 N 2.86 1.76 1.40 2.72 1.02 -1.26 -4.67 119.74 123.57 3gpw s LYS 225 Ca 0.36 -2.03 0.00 0.00 0.02 0.00 0.00 55.97 54.32 3gpw s LYS 225 Cb -0.15 -0.56 0.00 0.00 -0.52 0.00 0.00 37.83 36.60 3gpw s LYS 225 CO 0.07 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 3gpw n GLY 226 N -0.76 2.24 0.36 -3.33 0.00 -1.26 -2.98 105.19 99.46 3gpw n GLY 226 Ca -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 3gpw n GLY 226 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gpw h ASP 227 N 0.87 -1.26 -0.59 1.61 3.45 -1.99 0.02 116.42 118.53 3gpw h ASP 227 Ca 0.00 0.23 0.10 0.00 0.43 0.00 0.00 57.03 57.79 3gpw h ASP 227 Cb 0.00 0.60 -0.04 0.00 -0.56 0.00 0.00 39.33 39.34 3gpw h ASP 227 CO 0.00 -0.32 0.40 0.25 -1.57 0.00 0.00 179.24 178.00 3gpw h LEU 228 N -0.20 0.36 0.40 1.55 5.85 -1.97 0.12 115.31 121.42 3gpw h LEU 228 Ca 0.21 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3gpw h LEU 228 Cb 0.56 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3gpw h LEU 228 CO -0.66 0.22 -0.19 0.25 -0.34 0.00 0.00 178.44 177.71 3gpw h LEU 229 N 0.40 -0.45 -0.70 2.25 5.85 -0.93 -2.95 115.31 118.78 3gpw h LEU 229 Ca 0.27 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3gpw h LEU 229 Cb 0.54 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 3gpw h LEU 229 CO -0.07 -0.02 0.33 -0.61 -0.34 0.00 0.00 178.44 177.72 3gpw h GLN 230 N -1.01 0.53 -0.82 1.25 5.75 -0.91 0.38 115.11 120.29 3gpw h GLN 230 Ca -0.05 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.54 3gpw h GLN 230 Cb 0.53 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.90 3gpw h GLN 230 CO 0.09 0.35 0.54 1.49 -2.65 0.00 0.00 178.83 178.65 3gpw h GLU 231 N 0.55 0.63 0.14 1.69 4.81 -1.04 0.19 114.58 121.55 3gpw h GLU 231 Ca 0.36 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 59.25 3gpw h GLU 231 Cb 0.41 -0.14 0.03 0.00 0.63 0.00 0.00 28.75 29.68 3gpw h GLU 231 CO -0.30 0.41 -1.27 0.00 -0.73 0.00 0.00 179.01 177.13 3gpw h ALA 232 N 1.61 -0.01 -0.42 2.92 0.00 -0.86 -2.24 119.26 120.27 3gpw h ALA 232 Ca 0.40 -0.79 0.03 0.00 0.00 0.00 0.00 54.91 54.55 3gpw h ALA 232 Cb 0.64 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3gpw h ALA 232 CO -0.16 0.71 0.22 0.82 0.00 0.00 0.00 179.25 180.84 3gpw h ILE 233 N 0.25 1.00 0.28 0.00 2.04 0.07 -1.84 117.51 119.30 3gpw h ILE 233 Ca -0.19 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3gpw h ILE 233 Cb 1.95 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 3gpw h ILE 233 CO 0.24 0.08 -0.13 0.44 0.00 0.00 0.00 178.15 178.78 3gpw h ASP 234 N 0.45 -0.32 -1.17 1.72 3.32 -0.71 0.62 116.42 120.32 3gpw h ASP 234 Ca 0.17 -0.04 0.33 0.00 0.02 0.00 0.00 57.03 57.52 3gpw h ASP 234 Cb 0.06 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 3gpw h ASP 234 CO -0.11 -0.17 0.82 0.15 -1.72 0.00 0.00 179.24 178.21 3gpw h PHE 235 N -0.44 0.21 0.02 4.55 3.57 -1.09 0.17 116.94 123.93 3gpw h PHE 235 Ca -0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3gpw h PHE 235 Cb 0.34 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.02 3gpw h PHE 235 CO -0.04 0.00 -0.01 0.00 -2.23 0.00 0.00 178.31 176.03 3gpw h ALA 236 N 1.47 -0.03 -1.22 2.41 0.00 -0.75 -3.03 119.26 118.11 3gpw h ALA 236 Ca 0.60 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.75 3gpw h ALA 236 Cb 2.11 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.86 3gpw h ALA 236 CO -0.11 -0.03 0.88 1.96 0.00 0.00 0.00 179.25 181.95 3gpw h GLN 237 N -1.00 0.01 -0.01 0.00 1.08 0.37 0.35 115.11 115.92 3gpw h GLN 237 Ca -0.00 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3gpw h GLN 237 Cb 0.23 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3gpw h GLN 237 CO 0.00 0.01 -0.32 -0.22 -0.95 0.00 0.00 178.83 177.35 3gpw h LYS 238 N 0.01 0.23 -0.15 1.46 3.64 -0.82 -3.26 116.57 117.67 3gpw h LYS 238 Ca 0.58 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3gpw h LYS 238 Cb 2.33 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 34.21 3gpw h LYS 238 CO -0.02 0.95 0.00 0.39 -2.27 0.00 0.00 179.45 178.51 3gpw n GLU 239 N -4.45 1.36 -0.00 1.90 1.02 -0.02 -2.95 120.64 117.50 3gpw n GLU 239 Ca -0.10 -0.55 0.13 0.00 -0.02 0.00 0.00 57.16 56.62 3gpw n GLU 239 Cb 0.54 -1.13 0.31 0.00 -0.02 0.00 0.00 31.44 31.13 3gpw n GLU 239 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3gpw n ILE 240 N -0.06 0.01 -0.83 -3.67 0.13 -0.42 -5.06 119.36 109.46 3gpw n ILE 240 Ca 0.06 -0.39 0.00 0.00 -1.10 0.00 0.00 62.75 61.32 3gpw n ILE 240 Cb 0.13 1.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.94 3gpw n ILE 240 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94