#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw n GLY 7 N 0.00 -0.45 0.18 0.00 0.00 -1.26 -2.39 105.19 101.27 3gpw n GLY 7 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.91 0.00 0.98 1.61 4.01 -1.26 -3.53 117.16 118.06 3gpw n TYR 8 Ca 0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.84 3gpw n TYR 8 Cb 0.04 -0.11 0.04 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.71 0.00 0.00 7.72 5.75 -1.00 -1.07 116.55 127.24 3gpw n ASP 9 Ca 0.17 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 54.01 3gpw n ASP 9 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3gpw n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gpw n ARG 10 N -0.54 0.14 -0.09 0.11 1.74 -1.23 -4.58 116.66 112.22 3gpw n ARG 10 Ca 0.01 -0.75 -0.12 0.00 -0.77 0.00 0.00 57.85 56.22 3gpw n ARG 10 Cb 0.00 -0.97 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 3gpw n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gpw n HIS 11 N -0.14 0.00 -4.16 -1.55 8.25 -0.23 -4.53 115.22 112.86 3gpw n HIS 11 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 3gpw n HIS 11 Cb 0.09 -0.67 -0.06 0.00 1.12 0.00 0.00 29.99 30.47 3gpw n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3gpw s ILE 12 N -2.35 1.96 -1.26 1.59 -4.36 -1.18 -4.91 121.20 110.70 3gpw s ILE 12 Ca -0.23 -1.69 -0.11 0.00 -0.26 0.00 0.00 60.65 58.37 3gpw s ILE 12 Cb 0.06 -2.65 0.17 0.00 1.25 0.00 0.00 42.46 41.29 3gpw s ILE 12 CO 0.41 0.00 1.73 0.35 0.24 0.00 0.00 174.94 177.67 3gpw n THR 13 N -1.38 4.33 -4.39 8.37 -2.24 -1.26 -4.66 114.28 113.06 3gpw n THR 13 Ca -0.04 -4.52 -0.21 0.00 -2.27 0.00 0.00 64.05 57.01 3gpw n THR 13 Cb 0.65 -2.39 -0.10 0.00 -2.10 0.00 0.00 70.33 66.39 3gpw n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3gpw s ILE 14 N 0.71 2.02 0.52 2.28 -4.36 -1.26 -4.70 121.20 116.41 3gpw s ILE 14 Ca 0.40 -2.26 -0.21 0.00 -0.26 0.00 0.00 60.65 58.32 3gpw s ILE 14 Cb 0.06 -2.13 -0.06 0.00 1.25 0.00 0.00 42.46 41.58 3gpw s ILE 14 CO 0.01 -0.50 1.20 -0.36 0.24 0.00 0.00 174.94 175.52 3gpw s PHE 15 N -2.73 2.65 0.28 1.37 0.08 -1.26 -4.67 117.98 113.69 3gpw s PHE 15 Ca 0.25 1.51 0.02 0.00 0.12 0.00 0.00 56.93 58.82 3gpw s PHE 15 Cb -0.03 -3.45 -0.03 0.00 -0.57 0.00 0.00 43.02 38.94 3gpw s PHE 15 CO 0.10 -1.88 0.45 -1.54 -0.10 0.00 0.00 175.22 172.25 3gpw s SER 16 N -1.43 6.33 0.58 1.36 1.04 -0.21 -4.89 113.70 116.49 3gpw s SER 16 Ca 0.69 0.32 0.17 0.00 0.48 0.00 0.00 55.95 57.61 3gpw s SER 16 Cb -0.30 -1.97 0.91 0.00 0.10 0.00 0.00 66.02 64.76 3gpw s SER 16 CO 0.35 -0.16 1.48 -0.65 0.98 0.00 0.00 173.24 175.23 3gpw h PRO 17 N 1.21 0.00 -0.38 4.02 0.11 -1.96 1.43 132.00 136.43 3gpw h PRO 17 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gpw h PRO 17 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gpw h PRO 17 CO 0.63 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.81 3gpw n GLU 18 N -2.55 2.24 -1.87 1.05 4.71 -1.26 -4.92 120.64 118.03 3gpw n GLU 18 Ca -0.01 -1.88 -0.04 0.00 -0.01 0.00 0.00 57.16 55.21 3gpw n GLU 18 Cb 0.57 -1.46 -0.01 0.00 -1.01 0.00 0.00 31.44 29.53 3gpw n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gpw n GLY 19 N 1.37 0.31 3.78 0.62 0.00 0.49 -5.04 105.19 106.72 3gpw n GLY 19 Ca 0.18 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.81 2.68 -0.62 1.61 0.52 -1.23 -4.77 118.95 113.32 3gpw s ARG 20 Ca 0.00 -1.25 0.05 0.00 -0.52 0.00 0.00 55.73 54.01 3gpw s ARG 20 Cb 0.00 -2.41 0.16 0.00 0.52 0.00 0.00 34.95 33.22 3gpw s ARG 20 CO 0.00 0.29 0.43 -0.51 0.02 0.00 0.00 175.30 175.53 3gpw s LEU 21 N -3.84 4.09 0.30 2.53 1.43 -1.26 -1.04 118.68 120.88 3gpw s LEU 21 Ca 0.35 -3.56 0.06 0.00 -1.03 0.00 0.00 54.13 49.95 3gpw s LEU 21 Cb -0.06 -1.41 0.78 0.00 0.03 0.00 0.00 46.19 45.53 3gpw s LEU 21 CO 0.24 -0.13 1.70 1.88 0.23 0.00 0.00 176.35 180.28 3gpw h TYR 22 N 5.65 0.75 -0.57 0.29 0.05 -1.86 -0.08 116.97 121.19 3gpw h TYR 22 Ca 0.13 0.04 0.07 0.00 0.05 0.00 0.00 58.73 59.02 3gpw h TYR 22 Cb 0.80 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.32 3gpw h TYR 22 CO 0.59 -0.02 0.38 1.96 -1.05 0.00 0.00 178.16 180.02 3gpw h GLN 23 N 0.44 0.50 -0.12 4.88 1.08 -1.83 0.45 115.11 120.52 3gpw h GLN 23 Ca 0.59 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.58 3gpw h GLN 23 Cb 1.12 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 3gpw h GLN 23 CO -0.52 0.33 -0.67 0.28 -0.95 0.00 0.00 178.83 177.31 3gpw h VAL 24 N 0.52 1.35 -0.23 -0.54 2.07 -1.38 -2.00 116.25 116.04 3gpw h VAL 24 Ca 0.25 -2.00 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 3gpw h VAL 24 Cb 0.33 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3gpw h VAL 24 CO -0.07 0.61 -0.04 -0.33 0.02 0.00 0.00 177.57 177.76 3gpw h GLU 25 N 0.34 0.43 0.00 1.57 5.08 -0.42 -1.80 114.58 119.78 3gpw h GLU 25 Ca -0.02 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3gpw h GLU 25 Cb 1.23 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3gpw h GLU 25 CO 0.12 0.65 -0.12 1.88 -1.00 0.00 0.00 179.01 180.54 3gpw h TYR 26 N 0.17 0.00 -0.22 4.33 0.05 -0.24 -1.79 116.97 119.27 3gpw h TYR 26 Ca 0.06 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.65 3gpw h TYR 26 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3gpw h TYR 26 CO 0.05 0.12 -0.62 0.00 -1.05 0.00 0.00 178.16 176.65 3gpw h ALA 27 N 1.88 0.47 -0.65 3.88 0.00 -0.92 -2.38 119.26 121.54 3gpw h ALA 27 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3gpw h ALA 27 Cb 0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3gpw h ALA 27 CO 0.02 0.69 0.41 0.74 0.00 0.00 0.00 179.25 181.11 3gpw h PHE 28 N 0.57 0.84 -0.61 0.00 0.04 -0.50 -1.72 116.94 115.56 3gpw h PHE 28 Ca -0.01 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3gpw h PHE 28 Cb 1.23 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 3gpw h PHE 28 CO 0.07 0.55 0.39 -0.22 -0.60 0.00 0.00 178.31 178.50 3gpw h LYS 29 N 0.89 0.82 -0.11 1.51 1.63 -0.97 -2.34 116.57 118.00 3gpw h LYS 29 Ca 0.24 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 60.01 3gpw h LYS 29 Cb -0.07 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.38 3gpw h LYS 29 CO -0.05 0.56 0.08 0.00 -3.45 0.00 0.00 179.45 176.60 3gpw h ALA 30 N 1.21 1.99 -0.03 5.00 0.00 -0.82 -2.52 119.26 124.09 3gpw h ALA 30 Ca 0.22 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gpw h ALA 30 Cb -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gpw h ALA 30 CO -0.05 -0.14 0.04 1.79 0.00 0.00 0.00 179.25 180.90 3gpw h THR 31 N 0.00 0.44 -0.02 0.00 1.35 -1.29 -0.88 112.91 112.51 3gpw h THR 31 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.91 3gpw h THR 31 Cb 0.22 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3gpw h THR 31 CO -0.00 0.00 -0.02 0.59 -0.25 0.00 0.00 175.52 175.84 3gpw n ASN 32 N -3.72 1.92 -0.07 5.36 3.02 -0.95 -3.01 115.26 117.81 3gpw n ASN 32 Ca -0.02 -1.61 0.23 0.00 -0.03 0.00 0.00 54.58 53.14 3gpw n ASN 32 Cb 0.12 0.02 0.70 0.00 -0.61 0.00 0.00 39.78 40.01 3gpw n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3gpw h GLN 33 N 2.98 0.01 -0.00 3.52 4.15 -1.28 0.05 115.11 124.53 3gpw h GLN 33 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3gpw h GLN 33 Cb 0.65 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.34 3gpw h GLN 33 CO 0.00 0.00 -0.12 0.25 -1.93 0.00 0.00 178.83 177.04 3gpw n THR 34 N -4.34 0.00 -4.11 2.39 -2.24 -1.26 -4.93 114.28 99.79 3gpw n THR 34 Ca 0.13 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 3gpw n THR 34 Cb 0.73 -0.03 -0.01 0.00 -2.10 0.00 0.00 70.33 68.93 3gpw n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gpw n ASN 34 N -0.87 -3.48 -4.38 3.42 4.05 0.00 -4.95 115.26 109.05 3gpw n ASN 34 Ca 0.15 -0.94 -0.31 0.00 0.45 0.00 0.00 54.58 53.92 3gpw n ASN 34 Cb 0.28 -3.12 -0.15 0.00 1.23 0.00 0.00 39.78 38.02 3gpw n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gpw s ILE 35 N -3.35 2.43 0.06 -1.44 1.01 -1.26 -4.94 121.20 113.71 3gpw s ILE 35 Ca 0.65 -1.04 0.07 0.00 0.00 0.00 0.00 60.65 60.33 3gpw s ILE 35 Cb -0.35 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3gpw s ILE 35 CO 0.90 0.53 -0.14 0.20 0.00 0.00 0.00 174.94 176.43 3gpw s ASN 36 N -0.80 4.14 0.05 3.58 0.01 -1.26 -4.30 114.94 116.35 3gpw s ASN 36 Ca 0.11 -0.37 -0.03 0.00 -0.71 0.00 0.00 52.86 51.85 3gpw s ASN 36 Cb -0.10 -0.76 -0.02 0.00 0.41 0.00 0.00 41.25 40.78 3gpw s ASN 36 CO 0.00 0.23 0.04 -0.94 -1.51 0.00 0.00 177.10 174.92 3gpw s SER 37 N -1.73 0.32 0.04 -1.22 1.04 -0.25 -1.31 113.70 110.59 3gpw s SER 37 Ca 0.17 -0.76 -0.14 0.00 0.48 0.00 0.00 55.95 55.71 3gpw s SER 37 Cb -0.11 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3gpw s SER 37 CO 0.09 -0.56 0.30 -1.48 0.98 0.00 0.00 173.24 172.57 3gpw s LEU 38 N -2.52 0.90 0.01 2.42 0.05 0.11 -0.51 118.68 119.13 3gpw s LEU 38 Ca 0.01 -0.20 0.02 0.00 0.05 0.00 0.00 54.13 54.01 3gpw s LEU 38 Cb 0.03 1.34 -0.01 0.00 -2.05 0.00 0.00 46.19 45.50 3gpw s LEU 38 CO -0.08 -0.61 -0.08 0.00 -0.55 0.00 0.00 176.35 175.03 3gpw s ALA 39 N -2.55 0.62 0.03 1.48 0.00 0.39 -0.56 121.76 121.17 3gpw s ALA 39 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3gpw s ALA 39 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3gpw s ALA 39 CO -0.03 0.10 -0.01 0.14 0.00 0.00 0.00 175.76 175.96 3gpw s VAL 40 N -0.54 0.15 -0.12 0.00 -7.23 -0.34 -1.58 120.40 110.74 3gpw s VAL 40 Ca -0.01 -1.25 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 3gpw s VAL 40 Cb -0.05 -0.79 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 3gpw s VAL 40 CO 0.00 -0.69 0.05 -0.13 -0.31 0.00 0.00 175.10 174.03 3gpw s ARG 41 N -2.47 3.33 0.00 4.82 0.52 -1.24 -1.06 118.95 122.85 3gpw s ARG 41 Ca -0.06 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3gpw s ARG 41 Cb -0.02 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3gpw s ARG 41 CO -0.05 0.63 0.00 0.41 0.02 0.00 0.00 175.30 176.32 3gpw n GLY 42 N 2.39 1.01 0.15 -3.53 0.00 0.87 -0.58 105.19 105.50 3gpw n GLY 42 Ca -0.19 -1.91 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 3gpw n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gpw h LYS 43 N 0.00 0.44 -0.18 1.61 3.64 -1.91 -3.39 116.57 116.77 3gpw h LYS 43 Ca 0.00 -0.60 -0.20 0.00 -1.27 0.00 0.00 60.65 58.58 3gpw h LYS 43 Cb 0.00 0.20 -0.30 0.00 -0.41 0.00 0.00 32.23 31.72 3gpw h LYS 43 CO 0.00 1.25 -0.78 -0.40 -2.27 0.00 0.00 179.45 177.25 3gpw n ASP 44 N -3.69 0.34 -3.64 4.20 3.85 -1.26 -4.86 116.55 111.48 3gpw n ASP 44 Ca -0.10 -2.07 -0.08 0.00 -0.71 0.00 0.00 54.79 51.83 3gpw n ASP 44 Cb 0.95 -0.04 -0.02 0.00 -1.35 0.00 0.00 41.12 40.67 3gpw n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gpw s THR 46 N -3.53 -0.07 0.04 0.00 2.01 -0.15 -0.09 115.64 113.86 3gpw s THR 46 Ca 0.15 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.44 3gpw s THR 46 Cb -0.05 -0.19 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 3gpw s THR 46 CO 0.09 0.09 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.21 3gpw s VAL 47 N 1.24 2.61 -0.06 3.82 1.01 -0.22 -0.66 120.40 128.14 3gpw s VAL 47 Ca -0.08 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 60.64 3gpw s VAL 47 Cb -0.12 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3gpw s VAL 47 CO -0.05 0.34 -0.02 0.68 0.00 0.00 0.00 175.10 176.05 3gpw s VAL 48 N -0.90 0.44 -0.01 2.92 -7.23 -0.49 -1.20 120.40 113.94 3gpw s VAL 48 Ca 0.14 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.37 3gpw s VAL 48 Cb -0.10 -0.55 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 3gpw s VAL 48 CO 0.04 0.25 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.38 3gpw s ILE 49 N 1.58 3.64 -0.14 -0.62 1.09 0.28 -1.19 121.20 125.84 3gpw s ILE 49 Ca -0.01 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 58.71 3gpw s ILE 49 Cb -0.13 -2.57 0.04 0.00 -1.06 0.00 0.00 42.46 38.75 3gpw s ILE 49 CO -0.04 0.42 0.34 -0.55 -0.10 0.00 0.00 174.94 175.02 3gpw s SER 50 N -1.34 -0.39 0.54 3.58 0.15 -0.38 -0.72 113.70 115.15 3gpw s SER 50 Ca 0.16 0.72 -0.22 0.00 0.70 0.00 0.00 55.95 57.32 3gpw s SER 50 Cb -0.11 0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 3gpw s SER 50 CO 0.07 -0.15 1.34 -1.10 1.20 0.00 0.00 173.24 174.59 3gpw s GLN 51 N 0.84 3.18 -0.15 5.44 -0.21 -0.43 -1.11 119.66 127.22 3gpw s GLN 51 Ca -0.05 2.18 0.01 0.00 0.02 0.00 0.00 55.36 57.52 3gpw s GLN 51 Cb -0.06 -2.25 0.02 0.00 1.00 0.00 0.00 33.01 31.71 3gpw s GLN 51 CO -0.06 -1.15 -0.17 0.21 -2.12 0.00 0.00 175.29 172.01 3gpw s LYS 52 N -2.91 2.54 -0.19 2.91 2.20 0.13 -4.77 119.74 119.66 3gpw s LYS 52 Ca 0.71 -0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 55.66 3gpw s LYS 52 Cb -0.39 -2.22 0.05 0.00 -1.51 0.00 0.00 37.83 33.76 3gpw s LYS 52 CO 0.46 -0.17 -0.06 0.15 -0.36 0.00 0.00 175.35 175.37 3gpw s LYS 53 N 1.26 1.59 -0.46 4.03 1.02 -1.26 -4.35 119.74 121.57 3gpw s LYS 53 Ca 0.01 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.33 3gpw s LYS 53 Cb -0.14 -2.22 0.12 0.00 -0.52 0.00 0.00 37.83 35.08 3gpw s LYS 53 CO -0.08 -0.47 0.23 0.08 -0.92 0.00 0.00 175.35 174.19 3gpw s VAL 54 N 1.54 2.95 -0.01 3.17 1.01 -1.26 -4.99 120.40 122.81 3gpw s VAL 54 Ca -0.01 -2.63 -0.17 0.00 0.00 0.00 0.00 61.98 59.17 3gpw s VAL 54 Cb -0.16 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 3gpw s VAL 54 CO -0.08 -0.73 0.78 1.55 0.00 0.00 0.00 175.10 176.62 3gpw h PRO 55 N 7.34 -0.57 -6.64 2.72 0.13 -2.01 -3.45 132.00 129.51 3gpw h PRO 55 Ca -0.07 0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.58 3gpw h PRO 55 Cb 0.98 0.13 0.06 0.00 0.13 0.00 0.00 31.00 32.30 3gpw h PRO 55 CO 0.65 -0.38 1.02 0.34 -0.23 0.00 0.00 178.00 179.40 3gpw s ASP 56 N -4.33 6.39 0.32 1.44 -1.08 -1.26 -4.88 116.67 113.26 3gpw s ASP 56 Ca -0.09 2.86 0.26 0.00 -0.52 0.00 0.00 52.55 55.06 3gpw s ASP 56 Cb 0.01 -2.60 0.88 0.00 -1.46 0.00 0.00 42.92 39.75 3gpw s ASP 56 CO 0.26 -0.97 1.76 0.11 0.52 0.00 0.00 175.17 176.85 3gpw h LYS 57 N 6.96 0.00 -0.00 4.34 1.57 -2.06 -2.98 116.57 124.40 3gpw h LYS 57 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3gpw h LYS 57 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3gpw h LYS 57 CO 0.96 0.00 -0.06 1.28 -0.57 0.00 0.00 179.45 181.06 3gpw n LEU 58 N -2.53 0.24 -4.86 2.94 4.77 -1.26 -4.88 117.00 111.42 3gpw n LEU 58 Ca 0.03 0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.82 3gpw n LEU 58 Cb 0.36 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 3gpw n LEU 58 CO 0.27 0.05 0.41 -0.76 -1.33 0.00 0.00 177.39 176.02 3gpw s LEU 59 N -2.49 4.02 -0.68 2.23 1.43 -1.13 -5.02 118.68 117.04 3gpw s LEU 59 Ca 0.30 1.22 -0.19 0.00 -1.03 0.00 0.00 54.13 54.43 3gpw s LEU 59 Cb 0.20 -4.04 0.12 0.00 0.03 0.00 0.00 46.19 42.50 3gpw s LEU 59 CO 0.46 -0.24 0.81 -0.62 0.23 0.00 0.00 176.35 177.00 3gpw s ASP 60 N -2.47 6.32 0.48 2.29 3.68 -1.26 -4.92 116.67 120.79 3gpw s ASP 60 Ca 0.53 -1.64 0.37 0.00 2.13 0.00 0.00 52.55 53.94 3gpw s ASP 60 Cb -0.10 -2.32 1.54 0.00 -1.45 0.00 0.00 42.92 40.59 3gpw s ASP 60 CO 0.21 -1.08 1.61 -0.65 0.13 0.00 0.00 175.17 175.39 3gpw h PRO 61 N 9.01 0.04 0.00 4.34 0.11 -1.95 0.07 132.00 143.62 3gpw h PRO 61 Ca -0.17 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3gpw h PRO 61 Cb 1.07 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gpw h PRO 61 CO 1.07 0.03 -0.09 1.79 -0.21 0.00 0.00 178.00 180.58 3gpw h THR 62 N 0.04 0.44 -0.22 -1.15 1.35 -2.05 -2.65 112.91 108.68 3gpw h THR 62 Ca 0.85 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 3gpw h THR 62 Cb 2.96 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 3gpw h THR 62 CO -0.29 0.09 0.00 0.35 -0.25 0.00 0.00 175.52 175.42 3gpw n THR 63 N -3.52 0.27 -3.43 6.82 -2.24 0.01 -4.81 114.28 107.38 3gpw n THR 63 Ca -0.02 -0.53 -0.44 0.00 -2.27 0.00 0.00 64.05 60.80 3gpw n THR 63 Cb 0.23 0.85 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3gpw n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gpw s VAL 64 N -1.73 5.02 0.00 2.28 1.01 -1.00 -5.04 120.40 120.94 3gpw s VAL 64 Ca 0.35 -1.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3gpw s VAL 64 Cb 0.20 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3gpw s VAL 64 CO 0.30 -0.57 0.35 -0.55 0.00 0.00 0.00 175.10 174.63 3gpw s SER 65 N 2.51 -0.22 -0.08 3.32 0.15 -1.26 -5.01 113.70 113.10 3gpw s SER 65 Ca 0.04 0.06 0.12 0.00 0.70 0.00 0.00 55.95 56.87 3gpw s SER 65 Cb -0.24 0.35 0.18 0.00 -1.71 0.00 0.00 66.02 64.61 3gpw s SER 65 CO 0.06 -0.52 1.08 -1.22 1.20 0.00 0.00 173.24 173.83 3gpw n TYR 66 N 1.00 0.00 -4.86 3.44 4.02 -1.26 -4.99 117.16 114.50 3gpw n TYR 66 Ca -0.20 -0.74 -0.33 0.00 -0.01 0.00 0.00 57.90 56.62 3gpw n TYR 66 Cb 0.57 -0.11 -0.13 0.00 -0.02 0.00 0.00 39.34 39.65 3gpw n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3gpw s ILE 67 N -2.03 3.12 0.01 -0.72 1.01 -1.26 -0.58 121.20 120.75 3gpw s ILE 67 Ca 0.20 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3gpw s ILE 67 Cb 0.18 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 3gpw s ILE 67 CO 0.02 0.59 -0.08 -0.36 0.00 0.00 0.00 174.94 175.11 3gpw s PHE 68 N -0.68 0.69 -0.55 3.97 0.08 0.94 -4.99 117.98 117.43 3gpw s PHE 68 Ca 0.10 -0.25 -0.20 0.00 0.12 0.00 0.00 56.93 56.71 3gpw s PHE 68 Cb -0.11 -0.43 0.07 0.00 -0.57 0.00 0.00 43.02 41.99 3gpw s PHE 68 CO 0.01 -0.02 0.70 0.00 -0.10 0.00 0.00 175.22 175.81 3gpw h ILE 70 N 5.90 1.32 -3.89 0.00 2.04 -1.41 -3.48 117.51 117.99 3gpw h ILE 70 Ca -0.28 -2.48 -0.18 0.00 1.00 0.00 0.00 64.86 62.92 3gpw h ILE 70 Cb 1.09 2.81 -0.08 0.00 -0.74 0.00 0.00 36.82 39.90 3gpw h ILE 70 CO 1.04 0.75 -0.15 -0.94 0.00 0.00 0.00 178.15 178.85 3gpw s SER 71 N -7.36 0.46 0.50 1.72 1.04 -0.92 -4.55 113.70 104.58 3gpw s SER 71 Ca -0.10 -1.26 0.22 0.00 0.48 0.00 0.00 55.95 55.29 3gpw s SER 71 Cb 0.05 0.64 1.29 0.00 0.10 0.00 0.00 66.02 68.09 3gpw s SER 71 CO 0.92 -1.26 1.97 -0.09 0.98 0.00 0.00 173.24 175.76 3gpw h ARG 72 N 2.18 0.13 0.00 4.02 9.65 -1.93 -3.00 114.38 125.42 3gpw h ARG 72 Ca -0.28 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.59 3gpw h ARG 72 Cb 1.24 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 3gpw h ARG 72 CO 0.39 0.08 -1.06 0.25 2.80 0.00 0.00 179.97 182.43 3gpw n THR 73 N -4.41 0.00 -4.55 0.20 -2.24 -1.26 -1.84 114.28 100.18 3gpw n THR 73 Ca 0.11 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.31 3gpw n THR 73 Cb 0.58 0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 69.26 3gpw n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gpw s ILE 74 N -2.44 3.60 0.11 2.28 1.01 -1.13 -4.39 121.20 120.23 3gpw s ILE 74 Ca -0.00 -0.47 0.09 0.00 0.00 0.00 0.00 60.65 60.26 3gpw s ILE 74 Cb 0.08 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3gpw s ILE 74 CO 0.46 0.52 -0.18 -0.83 0.00 0.00 0.00 174.94 174.90 3gpw s GLY 75 N 0.21 1.67 -0.03 6.18 0.00 -0.20 -0.99 107.32 114.17 3gpw s GLY 75 Ca -0.04 -1.33 -0.00 0.00 0.00 0.00 0.00 44.72 43.34 3gpw s GLY 75 CO 0.04 -1.30 0.03 -0.29 0.00 0.00 0.00 173.10 171.58 3gpw s MET 76 N -2.03 -0.01 -0.11 2.90 0.00 -0.26 -0.80 119.30 119.00 3gpw s MET 76 Ca 0.17 0.21 -0.02 0.00 0.00 0.00 0.00 55.69 56.06 3gpw s MET 76 Cb -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 34.83 34.36 3gpw s MET 76 CO 0.09 -0.20 -0.03 0.54 0.00 0.00 0.00 175.02 175.42 3gpw s VAL 77 N 1.30 4.02 -0.12 10.11 0.11 -0.75 -0.04 120.40 135.03 3gpw s VAL 77 Ca -0.06 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 3gpw s VAL 77 Cb -0.13 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.00 3gpw s VAL 77 CO -0.03 0.56 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.47 3gpw s VAL 78 N -0.41 3.00 -0.42 2.04 1.01 0.26 -1.59 120.40 124.29 3gpw s VAL 78 Ca 0.07 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3gpw s VAL 78 Cb -0.12 -2.24 0.08 0.00 0.00 0.00 0.00 36.38 34.09 3gpw s VAL 78 CO 0.02 0.53 0.26 0.20 0.00 0.00 0.00 175.10 176.11 3gpw s ASN 79 N 0.22 5.64 0.00 3.32 -0.87 -0.62 -4.87 114.94 117.75 3gpw s ASN 79 Ca -0.09 -1.48 0.00 0.00 -1.57 0.00 0.00 52.86 49.72 3gpw s ASN 79 Cb -0.15 -1.99 0.00 0.00 -0.02 0.00 0.00 41.25 39.09 3gpw s ASN 79 CO 0.05 -0.53 0.00 0.61 -2.57 0.00 0.00 177.10 174.66 3gpw n GLY 80 N 4.92 1.11 3.50 0.66 0.00 -1.16 -2.09 105.19 112.13 3gpw n GLY 80 Ca -0.10 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 3gpw n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gpw n PRO 81 N -1.32 0.79 -0.18 1.61 -0.02 -1.26 -4.77 135.00 129.84 3gpw n PRO 81 Ca 0.00 0.28 -0.08 0.00 -2.02 0.00 0.00 63.50 61.68 3gpw n PRO 81 Cb 0.00 -1.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 3gpw n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3gpw h ILE 82 N 1.37 1.21 -0.55 4.25 6.09 -1.98 -2.06 117.51 125.84 3gpw h ILE 82 Ca -0.37 -0.60 0.05 0.00 -1.37 0.00 0.00 64.86 62.57 3gpw h ILE 82 Cb 1.38 0.63 -0.05 0.00 0.47 0.00 0.00 36.82 39.25 3gpw h ILE 82 CO 0.57 0.24 0.27 1.55 -3.07 0.00 0.00 178.15 177.71 3gpw h PRO 83 N 0.71 0.50 -0.20 2.19 0.13 -1.99 0.25 132.00 133.58 3gpw h PRO 83 Ca 0.18 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.20 3gpw h PRO 83 Cb 0.15 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 3gpw h PRO 83 CO -0.02 0.33 -0.23 -0.44 -0.23 0.00 0.00 178.00 177.41 3gpw h ASP 84 N 0.52 0.37 -0.47 1.44 3.45 -1.92 -1.72 116.42 118.09 3gpw h ASP 84 Ca 0.25 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 3gpw h ASP 84 Cb 0.18 -0.10 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3gpw h ASP 84 CO -0.19 0.61 0.19 0.00 -1.57 0.00 0.00 179.24 178.29 3gpw h ALA 85 N 1.42 0.61 0.00 3.45 0.00 -0.33 -1.40 119.26 123.01 3gpw h ALA 85 Ca 0.05 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3gpw h ALA 85 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gpw h ALA 85 CO 0.04 0.21 -0.32 0.00 0.00 0.00 0.00 179.25 179.18 3gpw h ARG 86 N 0.62 0.00 -0.27 0.00 3.08 -0.26 -0.71 114.38 116.84 3gpw h ARG 86 Ca 0.16 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 3gpw h ARG 86 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3gpw h ARG 86 CO -0.01 0.32 -0.57 -0.97 -1.07 0.00 0.00 179.97 177.67 3gpw h ASN 87 N 0.00 0.94 0.07 7.04 -0.00 -0.94 -2.08 115.58 120.61 3gpw h ASN 87 Ca -0.00 -0.51 -0.15 0.00 -0.00 0.00 0.00 56.30 55.63 3gpw h ASN 87 Cb 0.74 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 3gpw h ASN 87 CO 0.04 1.31 -0.53 0.00 -0.00 0.00 0.00 177.43 178.25 3gpw h ALA 88 N 0.71 0.76 -0.03 1.57 0.00 -0.83 -2.76 119.26 118.68 3gpw h ALA 88 Ca 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gpw h ALA 88 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3gpw h ALA 88 CO 0.12 0.68 0.00 0.00 0.00 0.00 0.00 179.25 180.06 3gpw h ALA 89 N 1.04 0.04 -0.02 0.00 0.00 -1.07 -1.51 119.26 117.74 3gpw h ALA 89 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gpw h ALA 89 Cb 1.05 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3gpw h ALA 89 CO 0.10 -0.30 -0.12 1.25 0.00 0.00 0.00 179.25 180.17 3gpw h LEU 90 N -0.24 -0.35 -0.64 0.00 5.85 -1.40 -0.82 115.31 117.71 3gpw h LEU 90 Ca 0.01 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3gpw h LEU 90 Cb 0.32 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3gpw h LEU 90 CO 0.00 -0.17 0.32 -0.09 -0.34 0.00 0.00 178.44 178.16 3gpw h ARG 91 N -0.20 0.56 -0.85 1.25 9.65 -1.49 -0.37 114.38 122.94 3gpw h ARG 91 Ca 0.05 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 3gpw h ARG 91 Cb 0.26 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 3gpw h ARG 91 CO -0.13 0.37 0.45 0.00 2.80 0.00 0.00 179.97 183.45 3gpw h ALA 92 N 1.37 1.19 -0.13 2.80 0.00 -0.75 0.79 119.26 124.53 3gpw h ALA 92 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gpw h ALA 92 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gpw h ALA 92 CO -0.22 0.64 0.00 0.87 0.00 0.00 0.00 179.25 180.54 3gpw h LYS 93 N 1.19 0.23 -0.18 0.00 1.57 -0.32 0.16 116.57 119.22 3gpw h LYS 93 Ca 0.30 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3gpw h LYS 93 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3gpw h LYS 93 CO -0.04 0.47 -0.01 0.00 -0.57 0.00 0.00 179.45 179.29 3gpw h ALA 94 N 0.75 0.15 -0.86 3.86 0.00 -0.85 -0.02 119.26 122.29 3gpw h ALA 94 Ca 0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gpw h ALA 94 Cb 0.36 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3gpw h ALA 94 CO 0.01 -0.45 0.56 0.93 0.00 0.00 0.00 179.25 180.30 3gpw h GLU 95 N 0.04 1.06 -0.37 0.00 4.39 -0.71 -1.17 114.58 117.83 3gpw h GLU 95 Ca 0.09 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3gpw h GLU 95 Cb 0.11 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 3gpw h GLU 95 CO -0.16 0.70 -0.18 0.00 -1.16 0.00 0.00 179.01 178.22 3gpw h ALA 96 N 1.35 1.00 -0.15 3.43 0.00 0.16 -1.99 119.26 123.06 3gpw h ALA 96 Ca 0.34 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3gpw h ALA 96 Cb -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gpw h ALA 96 CO -0.11 0.59 -0.41 0.00 0.00 0.00 0.00 179.25 179.32 3gpw h ALA 97 N 1.19 0.25 -0.47 0.00 0.00 -0.67 -3.05 119.26 116.50 3gpw h ALA 97 Ca 0.10 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3gpw h ALA 97 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3gpw h ALA 97 CO 0.05 0.36 0.22 1.49 0.00 0.00 0.00 179.25 181.37 3gpw h GLU 98 N 0.17 0.69 -0.68 0.00 4.81 -1.17 -2.10 114.58 116.30 3gpw h GLU 98 Ca -0.01 -0.11 0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3gpw h GLU 98 Cb 1.03 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.21 3gpw h GLU 98 CO 0.09 0.59 0.29 0.35 -0.73 0.00 0.00 179.01 179.60 3gpw h PHE 99 N 0.62 0.51 -0.59 0.92 3.04 -1.40 0.51 116.94 120.55 3gpw h PHE 99 Ca 0.16 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.10 3gpw h PHE 99 Cb 0.14 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 3gpw h PHE 99 CO -0.01 0.13 0.21 -0.09 -2.02 0.00 0.00 178.31 176.54 3gpw h ARG 100 N 0.48 0.89 -0.22 1.11 9.65 -1.38 0.27 114.38 125.19 3gpw h ARG 100 Ca 0.35 -0.18 -0.01 0.00 -1.10 0.00 0.00 59.98 59.04 3gpw h ARG 100 Cb 0.44 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3gpw h ARG 100 CO -0.32 0.78 0.10 -0.92 2.80 0.00 0.00 179.97 182.41 3gpw h TYR 101 N 0.82 0.32 -0.05 2.20 3.20 -0.54 -0.06 116.97 122.85 3gpw h TYR 101 Ca 0.19 -0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.87 3gpw h TYR 101 Cb 0.24 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.42 3gpw h TYR 101 CO 0.01 0.33 -0.64 0.87 -1.64 0.00 0.00 178.16 177.10 3gpw h LYS 102 N 0.21 0.53 -0.02 1.82 1.57 -0.84 -3.37 116.57 116.47 3gpw h LYS 102 Ca 0.07 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3gpw h LYS 102 Cb 0.14 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3gpw h LYS 102 CO -0.01 1.13 -0.10 0.66 -0.57 0.00 0.00 179.45 180.56 3gpw n TYR 103 N -4.15 0.00 -1.05 -1.35 4.01 0.07 -5.00 117.16 109.69 3gpw n TYR 103 Ca -0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.63 3gpw n TYR 103 Cb 0.68 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.70 3gpw n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gpw n GLY 104 N 1.21 0.45 3.25 2.72 0.00 -0.04 -5.00 105.19 107.79 3gpw n GLY 104 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3gpw n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gpw s TYR 105 N -1.73 0.10 0.23 1.61 -0.85 -1.24 -5.04 117.35 110.43 3gpw s TYR 105 Ca 0.00 -0.50 -0.30 0.00 -0.52 0.00 0.00 57.07 55.75 3gpw s TYR 105 Cb 0.00 0.02 -0.10 0.00 0.38 0.00 0.00 41.96 42.26 3gpw s TYR 105 CO 0.00 -0.60 1.47 -0.51 -1.52 0.00 0.00 175.55 174.39 3gpw s ASP 106 N -2.86 6.62 0.11 -0.18 -0.00 -1.26 -3.86 116.67 115.24 3gpw s ASP 106 Ca 0.06 2.67 -0.31 0.00 -0.00 0.00 0.00 52.55 54.97 3gpw s ASP 106 Cb 0.04 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.25 3gpw s ASP 106 CO -0.10 -0.74 1.63 -0.32 -0.00 0.00 0.00 175.17 175.64 3gpw s MET 107 N -0.08 4.20 0.59 8.23 -2.45 -1.26 -4.96 119.30 123.57 3gpw s MET 107 Ca 0.62 2.35 -0.18 0.00 -1.25 0.00 0.00 55.69 57.23 3gpw s MET 107 Cb -0.43 -3.43 -0.04 0.00 1.25 0.00 0.00 34.83 32.19 3gpw s MET 107 CO 0.41 -0.69 1.12 -2.14 1.05 0.00 0.00 175.02 174.77 3gpw s PRO 108 N 2.08 3.15 0.14 4.11 0.02 -1.26 -4.85 135.00 138.39 3gpw s PRO 108 Ca 0.73 1.51 -0.20 0.00 0.02 0.00 0.00 61.00 63.05 3gpw s PRO 108 Cb -0.41 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.12 3gpw s PRO 108 CO 0.32 -1.00 1.68 0.00 -0.33 0.00 0.00 177.00 177.67 3gpw h ASP 110 N -0.09 1.00 -0.26 0.00 -0.00 -1.95 -1.17 116.42 113.96 3gpw h ASP 110 Ca 0.11 -0.08 -0.04 0.00 -0.00 0.00 0.00 57.03 57.02 3gpw h ASP 110 Cb 0.26 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 3gpw h ASP 110 CO -0.26 0.80 -0.00 0.58 -0.00 0.00 0.00 179.24 180.36 3gpw h VAL 111 N 1.12 1.26 -0.92 4.15 2.07 -1.82 -0.12 116.25 122.00 3gpw h VAL 111 Ca 0.28 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3gpw h VAL 111 Cb 0.02 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 3gpw h VAL 111 CO -0.05 0.29 0.60 0.25 0.02 0.00 0.00 177.57 178.68 3gpw h LEU 112 N 0.23 0.95 0.33 2.57 5.85 -0.85 0.17 115.31 124.56 3gpw h LEU 112 Ca 0.07 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gpw h LEU 112 Cb 0.42 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gpw h LEU 112 CO 0.01 0.63 -0.16 0.00 -0.34 0.00 0.00 178.44 178.59 3gpw h ALA 113 N 1.49 -0.44 -0.64 1.25 0.00 -0.82 -1.04 119.26 119.06 3gpw h ALA 113 Ca 0.38 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3gpw h ALA 113 Cb 0.12 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.00 3gpw h ALA 113 CO -0.13 -0.70 0.24 -0.22 0.00 0.00 0.00 179.25 178.43 3gpw h LYS 114 N -0.53 0.40 -0.43 0.00 3.64 -0.39 0.29 116.57 119.55 3gpw h LYS 114 Ca -0.04 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3gpw h LYS 114 Cb 0.40 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 3gpw h LYS 114 CO 0.07 0.26 0.25 -0.09 -2.27 0.00 0.00 179.45 177.67 3gpw h ARG 115 N 0.41 0.48 -0.30 1.90 9.65 -0.80 0.61 114.38 126.34 3gpw h ARG 115 Ca 0.33 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 59.07 3gpw h ARG 115 Cb 0.42 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 3gpw h ARG 115 CO -0.33 0.32 -0.25 0.52 2.80 0.00 0.00 179.97 183.03 3gpw h MET 116 N 0.50 0.58 -0.66 0.20 2.86 -0.15 -2.23 114.93 116.02 3gpw h MET 116 Ca 0.17 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3gpw h MET 116 Cb 0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3gpw h MET 116 CO -0.08 0.78 0.24 0.00 1.06 0.00 0.00 176.91 178.91 3gpw h ALA 117 N 1.22 0.87 -0.60 6.32 0.00 0.16 -1.65 119.26 125.57 3gpw h ALA 117 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3gpw h ALA 117 Cb 0.71 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gpw h ALA 117 CO 0.05 0.51 0.11 -0.91 0.00 0.00 0.00 179.25 179.02 3gpw h ASN 118 N 0.95 0.94 -0.65 0.00 -0.26 -0.66 0.17 115.58 116.07 3gpw h ASN 118 Ca 0.22 -0.25 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3gpw h ASN 118 Cb 0.25 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 3gpw h ASN 118 CO -0.01 0.95 0.41 -0.07 -1.06 0.00 0.00 177.43 177.65 3gpw h LEU 119 N 0.89 0.77 -0.10 1.61 4.07 -1.20 -1.39 115.31 119.95 3gpw h LEU 119 Ca 0.18 -0.03 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 3gpw h LEU 119 Cb 0.40 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 3gpw h LEU 119 CO 0.01 0.58 -0.13 0.28 -1.08 0.00 0.00 178.44 178.10 3gpw h SER 120 N 0.89 0.29 -1.00 -0.43 0.02 -0.54 -2.92 113.55 109.87 3gpw h SER 120 Ca 0.24 -0.51 0.27 0.00 -0.84 0.00 0.00 61.79 60.95 3gpw h SER 120 Cb -0.06 -0.08 -0.13 0.00 0.14 0.00 0.00 62.40 62.26 3gpw h SER 120 CO -0.05 0.74 0.58 -0.61 -1.14 0.00 0.00 176.83 176.35 3gpw h GLN 121 N -0.16 0.48 -0.48 3.45 -0.00 0.02 0.49 115.11 118.91 3gpw h GLN 121 Ca 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3gpw h GLN 121 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 3gpw h GLN 121 CO 0.03 0.32 0.30 0.82 0.00 0.00 0.00 178.83 180.30 3gpw h ILE 122 N 0.49 1.14 0.00 2.39 2.04 -1.08 -1.77 117.51 120.72 3gpw h ILE 122 Ca 0.67 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 66.23 3gpw h ILE 122 Cb 1.37 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3gpw h ILE 122 CO -0.52 0.14 -0.01 1.88 0.00 0.00 0.00 178.15 179.64 3gpw h TYR 123 N 0.64 0.00 0.00 1.37 0.05 -0.86 0.18 116.97 118.35 3gpw h TYR 123 Ca 0.17 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.85 3gpw h TYR 123 Cb -0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3gpw h TYR 123 CO -0.03 0.01 -0.51 1.15 -1.05 0.00 0.00 178.16 177.73 3gpw h THR 124 N 0.00 1.11 0.00 -2.88 2.02 -0.89 -3.37 112.91 108.90 3gpw h THR 124 Ca -0.00 -1.93 -0.24 0.00 0.77 0.00 0.00 66.41 65.02 3gpw h THR 124 Cb 0.24 2.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3gpw h THR 124 CO 0.00 0.50 -1.89 1.67 0.37 0.00 0.00 175.52 176.17 3gpw n GLN 125 N -3.56 1.33 -3.30 6.66 7.27 0.17 -4.79 117.38 121.15 3gpw n GLN 125 Ca -0.00 0.03 -0.38 0.00 0.07 0.00 0.00 57.00 56.72 3gpw n GLN 125 Cb 0.60 -1.33 -0.06 0.00 2.41 0.00 0.00 30.24 31.86 3gpw n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3gpw s ARG 126 N -2.31 4.32 0.56 3.69 0.52 0.38 -4.98 118.95 121.13 3gpw s ARG 126 Ca -0.12 0.45 0.34 0.00 -0.52 0.00 0.00 55.73 55.87 3gpw s ARG 126 Cb 0.05 -3.46 1.57 0.00 0.52 0.00 0.00 34.95 33.63 3gpw s ARG 126 CO 0.46 0.11 2.07 0.00 0.02 0.00 0.00 175.30 177.97 3gpw h ALA 127 N 6.83 1.07 0.00 2.13 0.00 -1.87 -3.13 119.26 124.29 3gpw h ALA 127 Ca -0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gpw h ALA 127 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gpw h ALA 127 CO 0.75 0.07 -0.48 2.48 0.00 0.00 0.00 179.25 182.07 3gpw n TYR 128 N -3.25 0.53 -3.77 0.00 0.18 -1.26 -4.74 117.16 104.85 3gpw n TYR 128 Ca -0.01 0.15 -0.36 0.00 1.88 0.00 0.00 57.90 59.57 3gpw n TYR 128 Cb 0.25 -0.65 -0.09 0.00 -0.38 0.00 0.00 39.34 38.47 3gpw n TYR 128 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3gpw s MET 129 N -3.13 4.05 0.33 -3.48 -1.94 -1.18 -5.09 119.30 108.85 3gpw s MET 129 Ca 0.08 -0.29 -0.09 0.00 -1.71 0.00 0.00 55.69 53.67 3gpw s MET 129 Cb 0.14 -3.41 -0.06 0.00 2.01 0.00 0.00 34.83 33.50 3gpw s MET 129 CO 0.69 0.16 0.67 -0.98 -0.01 0.00 0.00 175.02 175.54 3gpw s ARG 130 N 0.75 3.77 0.84 2.03 1.70 -1.26 -4.69 118.95 122.09 3gpw s ARG 130 Ca 0.06 0.33 -0.12 0.00 -0.47 0.00 0.00 55.73 55.53 3gpw s ARG 130 Cb -0.13 -2.51 0.10 0.00 -0.57 0.00 0.00 34.95 31.84 3gpw s ARG 130 CO 0.02 0.12 1.10 -2.14 -1.08 0.00 0.00 175.30 173.32 3gpw s PRO 131 N -3.48 1.70 -0.15 3.89 0.02 -1.26 -4.88 135.00 130.84 3gpw s PRO 131 Ca 0.49 0.62 -0.11 0.00 0.02 0.00 0.00 61.00 62.02 3gpw s PRO 131 Cb -0.11 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 3gpw s PRO 131 CO 0.27 -1.88 0.22 -0.51 -0.33 0.00 0.00 177.00 174.77 3gpw s LEU 132 N -5.94 4.29 -1.25 -5.54 1.43 -1.26 -4.98 118.68 105.43 3gpw s LEU 132 Ca 0.62 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 54.10 3gpw s LEU 132 Cb -0.15 -2.25 -0.10 0.00 0.03 0.00 0.00 46.19 43.71 3gpw s LEU 132 CO 0.55 0.21 2.85 0.61 0.23 0.00 0.00 176.35 180.80 3gpw n GLY 133 N 2.98 3.82 3.14 -3.19 0.00 -1.26 -4.56 105.19 106.11 3gpw n GLY 133 Ca -0.15 -1.31 -0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 2.27 0.19 -0.12 1.61 -7.23 -1.26 -3.51 120.40 112.35 3gpw s VAL 134 Ca 0.63 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 59.28 3gpw s VAL 134 Cb 0.18 -1.43 0.01 0.00 0.56 0.00 0.00 36.38 35.71 3gpw s VAL 134 CO -0.05 -0.85 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.09 3gpw s ILE 135 N -3.86 1.71 -0.20 -0.62 1.01 -0.89 -3.82 121.20 114.54 3gpw s ILE 135 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3gpw s ILE 135 Cb 0.06 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3gpw s ILE 135 CO -0.10 0.48 0.03 -0.76 0.00 0.00 0.00 174.94 174.59 3gpw s LEU 136 N 0.91 3.50 -0.30 2.97 1.43 -0.27 -1.59 118.68 125.33 3gpw s LEU 136 Ca -0.07 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3gpw s LEU 136 Cb -0.15 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 44.22 3gpw s LEU 136 CO -0.02 0.10 0.02 -0.89 0.23 0.00 0.00 176.35 175.80 3gpw s THR 137 N 0.80 3.24 -0.13 5.49 2.01 -0.62 -0.33 115.64 126.10 3gpw s THR 137 Ca 0.02 -1.24 -0.08 0.00 0.31 0.00 0.00 61.69 60.70 3gpw s THR 137 Cb -0.14 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3gpw s THR 137 CO 0.02 -0.08 0.16 -0.36 -0.69 0.00 0.00 174.62 173.67 3gpw s PHE 138 N 1.31 3.57 0.04 4.92 0.40 0.25 -1.81 117.98 126.66 3gpw s PHE 138 Ca -0.03 0.53 0.01 0.00 -0.60 0.00 0.00 56.93 56.83 3gpw s PHE 138 Cb -0.19 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 3gpw s PHE 138 CO -0.00 0.65 -0.05 0.14 0.70 0.00 0.00 175.22 176.66 3gpw s VAL 139 N -0.76 0.30 -0.15 -0.44 -7.23 0.02 -1.29 120.40 110.85 3gpw s VAL 139 Ca 0.14 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3gpw s VAL 139 Cb -0.12 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.14 3gpw s VAL 139 CO 0.04 -0.58 0.00 -1.54 -0.31 0.00 0.00 175.10 172.71 3gpw n SER 140 N 1.18 0.00 -3.87 4.85 3.41 -1.05 -1.03 113.62 117.11 3gpw n SER 140 Ca -0.21 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.11 3gpw n SER 140 Cb 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 3gpw n SER 140 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gpw s VAL 141 N -2.14 2.60 0.30 -3.33 1.01 -1.26 0.15 120.40 117.73 3gpw s VAL 141 Ca 0.00 -3.89 -0.29 0.00 0.00 0.00 0.00 61.98 57.80 3gpw s VAL 141 Cb 0.00 -2.74 -0.13 0.00 0.00 0.00 0.00 36.38 33.51 3gpw s VAL 141 CO 0.00 -0.97 1.16 -0.67 0.00 0.00 0.00 175.10 174.62 3gpw n ASP 142 N 2.35 1.99 0.16 3.32 2.03 -0.70 -4.62 116.55 121.08 3gpw n ASP 142 Ca 0.16 1.19 0.13 0.00 0.52 0.00 0.00 54.79 56.79 3gpw n ASP 142 Cb 0.35 -1.37 0.55 0.00 -0.72 0.00 0.00 41.12 39.93 3gpw n ASP 142 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3gpw h GLU 143 N 2.47 0.00 0.00 -0.67 4.11 -1.99 -0.60 114.58 117.90 3gpw h GLU 143 Ca -0.43 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.86 3gpw h GLU 143 Cb 1.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3gpw h GLU 143 CO 0.63 0.00 -1.56 0.39 0.07 0.00 0.00 179.01 178.54 3gpw n GLU 14 N -2.38 0.95 0.00 1.06 1.02 -1.26 -4.79 120.64 115.25 3gpw n GLU 14 Ca 0.01 0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 3gpw n GLU 14 Cb 0.21 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 3gpw n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gpw n LEU 144 N -2.65 0.58 0.00 -4.62 4.77 -1.22 -5.10 117.00 108.75 3gpw n LEU 144 Ca -0.16 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 3gpw n LEU 144 Cb 0.71 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 3gpw n LEU 144 CO 0.12 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3gpw n GLY 145 N 1.39 -1.87 3.58 -0.72 0.00 -0.24 -4.85 105.19 102.48 3gpw n GLY 145 Ca 0.01 -1.51 -0.52 0.00 0.00 0.00 0.00 46.02 44.00 3gpw n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gpw n PRO 146 N 0.00 1.09 -4.25 1.61 -0.02 -1.26 -1.71 135.00 130.46 3gpw n PRO 146 Ca 0.00 0.39 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 3gpw n PRO 146 Cb 0.00 -2.00 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 3gpw n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gpw s SER 147 N 0.35 0.84 -0.12 2.55 0.01 0.12 -4.87 113.70 112.58 3gpw s SER 147 Ca 0.82 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.95 3gpw s SER 147 Cb -0.95 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 65.17 3gpw s SER 147 CO 0.48 0.07 -0.06 -0.63 0.41 0.00 0.00 173.24 173.51 3gpw s ILE 148 N -0.01 0.96 -0.04 1.44 1.01 -1.26 -2.53 121.20 120.77 3gpw s ILE 148 Ca 0.01 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.34 3gpw s ILE 148 Cb -0.04 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.40 3gpw s ILE 148 CO -0.00 0.29 -0.05 -0.31 0.00 0.00 0.00 174.94 174.86 3gpw s TYR 149 N 1.73 0.75 0.02 3.97 2.02 -0.41 -0.63 117.35 124.80 3gpw s TYR 149 Ca 0.04 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 3gpw s TYR 149 Cb -0.13 -0.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.78 3gpw s TYR 149 CO -0.08 -0.16 -0.18 0.21 -1.57 0.00 0.00 175.55 173.78 3gpw s LYS 150 N 0.70 1.27 0.08 -0.62 2.20 -1.02 0.86 119.74 123.22 3gpw s LYS 150 Ca -0.10 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 54.80 3gpw s LYS 150 Cb -0.13 -1.31 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 3gpw s LYS 150 CO 0.00 0.34 -0.18 0.95 -0.36 0.00 0.00 175.35 176.10 3gpw s THR 151 N -0.68 1.48 0.47 3.43 -4.23 0.56 -2.98 115.64 113.70 3gpw s THR 151 Ca 0.06 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.19 3gpw s THR 151 Cb -0.08 -1.36 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 3gpw s THR 151 CO 0.01 -0.08 0.03 1.51 -0.54 0.00 0.00 174.62 175.55 3gpw s ASP 152 N -1.73 3.75 0.00 3.99 1.47 -0.94 -1.11 116.67 122.09 3gpw s ASP 152 Ca 0.04 -1.63 0.05 0.00 1.18 0.00 0.00 52.55 52.19 3gpw s ASP 152 Cb -0.10 0.42 0.27 0.00 -0.34 0.00 0.00 42.92 43.18 3gpw s ASP 152 CO 0.03 -0.83 1.05 -2.65 0.68 0.00 0.00 175.17 173.45 3gpw n PRO 153 N -1.14 0.06 0.00 2.11 -0.02 -1.25 -1.49 135.00 133.27 3gpw n PRO 153 Ca -0.14 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3gpw n PRO 153 Cb 0.66 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.91 3gpw n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gpw n ALA 154 N -1.33 3.49 -0.68 3.55 0.00 -1.26 -4.81 120.51 119.47 3gpw n ALA 154 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3gpw n ALA 154 Cb 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3gpw n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpw n GLY 155 N 1.47 0.64 3.87 0.00 0.00 -0.56 -4.54 105.19 106.07 3gpw n GLY 155 Ca 0.07 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3gpw n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gpw s TYR 156 N -2.00 3.42 0.07 1.61 6.14 -1.26 -4.60 117.35 120.73 3gpw s TYR 156 Ca 0.00 0.92 -0.25 0.00 0.64 0.00 0.00 57.07 58.38 3gpw s TYR 156 Cb 0.00 -2.31 0.07 0.00 0.42 0.00 0.00 41.96 40.14 3gpw s TYR 156 CO 0.00 0.20 0.61 1.52 0.64 0.00 0.00 175.55 178.52 3gpw s TYR 157 N -1.91 -0.55 0.06 4.97 1.13 -1.26 -2.22 117.35 117.58 3gpw s TYR 157 Ca 0.48 0.62 -0.27 0.00 -1.41 0.00 0.00 57.07 56.49 3gpw s TYR 157 Cb -0.11 0.46 0.09 0.00 -1.10 0.00 0.00 41.96 41.30 3gpw s TYR 157 CO 0.22 -0.73 0.91 0.54 -2.51 0.00 0.00 175.55 173.98 3gpw s VAL 158 N -2.63 0.00 0.30 -3.49 0.11 -1.16 -4.99 120.40 108.54 3gpw s VAL 158 Ca -0.04 -0.26 -0.06 0.00 -2.93 0.00 0.00 61.98 58.69 3gpw s VAL 158 Cb -0.01 -1.40 -0.05 0.00 -1.53 0.00 0.00 36.38 33.39 3gpw s VAL 158 CO -0.03 0.00 0.58 -0.83 -3.33 0.00 0.00 175.10 171.49 3gpw s GLY 159 N -2.68 1.88 0.12 6.54 0.00 -1.26 -2.44 107.32 109.48 3gpw s GLY 159 Ca 0.08 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.34 3gpw s GLY 159 CO -0.05 -0.38 -0.11 -0.19 0.00 0.00 0.00 173.10 172.37 3gpw s TYR 160 N -2.11 1.21 0.08 1.90 1.51 0.20 -4.98 117.35 115.16 3gpw s TYR 160 Ca 0.45 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 3gpw s TYR 160 Cb -0.11 -0.64 -0.26 0.00 -0.11 0.00 0.00 41.96 40.84 3gpw s TYR 160 CO 0.30 0.06 1.16 0.87 -1.11 0.00 0.00 175.55 176.83 3gpw h LYS 161 N 3.35 0.19 -2.27 -0.62 1.57 -1.89 -3.38 116.57 113.53 3gpw h LYS 161 Ca -0.38 -0.33 0.14 0.00 -1.87 0.00 0.00 60.65 58.21 3gpw h LYS 161 Cb 1.19 0.12 -0.13 0.00 0.08 0.00 0.00 32.23 33.50 3gpw h LYS 161 CO 0.55 1.15 0.50 0.00 -0.57 0.00 0.00 179.45 181.08 3gpw s ALA 162 N -2.67 -1.78 0.17 3.86 0.00 -1.26 -3.63 121.76 116.45 3gpw s ALA 162 Ca -0.03 0.73 -0.24 0.00 0.00 0.00 0.00 51.96 52.42 3gpw s ALA 162 Cb 0.08 0.48 0.06 0.00 0.00 0.00 0.00 23.12 23.73 3gpw s ALA 162 CO 0.86 -0.81 0.84 -0.08 0.00 0.00 0.00 175.76 176.58 3gpw s THR 163 N -3.15 0.00 0.05 0.00 -1.32 -0.61 -4.97 115.64 105.64 3gpw s THR 163 Ca 0.08 -0.61 -0.04 0.00 -1.21 0.00 0.00 61.69 59.90 3gpw s THR 163 Cb -0.01 -1.77 -0.02 0.00 -1.51 0.00 0.00 72.50 69.19 3gpw s THR 163 CO -0.05 0.00 0.06 0.00 -2.21 0.00 0.00 174.62 172.42 3gpw s ALA 164 N -3.50 0.15 -0.19 11.08 0.00 -1.26 -0.46 121.76 127.58 3gpw s ALA 164 Ca 0.10 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 3gpw s ALA 164 Cb -0.03 0.31 0.06 0.00 0.00 0.00 0.00 23.12 23.46 3gpw s ALA 164 CO 0.01 -0.38 0.48 0.99 0.00 0.00 0.00 175.76 176.86 3gpw s THR 165 N -3.41 -0.01 -4.36 0.00 2.01 0.33 -4.94 115.64 105.26 3gpw s THR 165 Ca 0.02 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3gpw s THR 165 Cb 0.04 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.86 3gpw s THR 165 CO -0.08 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.47 3gpw n GLY 166 N 3.54 0.94 0.26 4.40 0.00 -1.26 -1.09 105.19 111.97 3gpw n GLY 166 Ca -0.18 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 43.89 3gpw n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gpw h PRO 167 N 7.53 0.44 -0.89 1.61 0.11 -1.89 -1.94 132.00 136.96 3gpw h PRO 167 Ca 0.00 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.53 3gpw h PRO 167 Cb 0.00 -0.10 -0.29 0.00 0.11 0.00 0.00 31.00 30.72 3gpw h PRO 167 CO 0.00 0.29 0.52 1.63 -0.21 0.00 0.00 178.00 180.23 3gpw n LYS 168 N -4.98 2.52 0.02 1.05 5.02 -1.26 -4.67 118.16 115.86 3gpw n LYS 168 Ca 0.11 -3.27 -0.10 0.00 -2.02 0.00 0.00 58.31 53.03 3gpw n LYS 168 Cb 0.32 -2.19 -0.04 0.00 -0.02 0.00 0.00 35.03 33.11 3gpw n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3gpw h GLN 169 N 1.55 -0.28 -0.88 1.97 -0.00 -1.66 -2.87 115.11 112.94 3gpw h GLN 169 Ca 0.55 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 59.38 3gpw h GLN 169 Cb 1.69 0.06 -0.10 0.00 0.00 0.00 0.00 27.48 29.13 3gpw h GLN 169 CO 1.20 -0.19 0.46 0.37 0.00 0.00 0.00 178.83 180.67 3gpw h GLN 170 N -0.29 0.58 -0.08 1.69 5.75 -1.84 -0.31 115.11 120.62 3gpw h GLN 170 Ca 0.08 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3gpw h GLN 170 Cb 0.41 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 3gpw h GLN 170 CO -0.25 0.39 0.02 0.93 -2.65 0.00 0.00 178.83 177.27 3gpw h GLU 171 N 0.60 0.13 -0.49 1.69 3.07 -1.88 -1.53 114.58 116.17 3gpw h GLU 171 Ca 0.50 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 59.36 3gpw h GLU 171 Cb 0.77 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 3gpw h GLU 171 CO -0.40 0.30 0.28 0.82 -1.40 0.00 0.00 179.01 178.62 3gpw h ILE 172 N -0.07 1.04 0.07 3.13 1.08 -1.24 -1.58 117.51 119.93 3gpw h ILE 172 Ca 0.03 -0.19 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 3gpw h ILE 172 Cb 0.23 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 3gpw h ILE 172 CO -0.00 0.10 -0.15 0.74 -0.69 0.00 0.00 178.15 178.15 3gpw h THR 173 N 0.57 0.65 -0.42 -0.27 2.02 -0.94 -0.52 112.91 113.99 3gpw h THR 173 Ca 0.20 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 3gpw h THR 173 Cb 0.03 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3gpw h THR 173 CO -0.10 0.00 0.10 0.71 0.37 0.00 0.00 175.52 176.60 3gpw h THR 174 N -0.29 1.19 0.34 3.16 1.35 -1.13 0.19 112.91 117.73 3gpw h THR 174 Ca 0.03 -0.68 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 3gpw h THR 174 Cb 0.31 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.49 3gpw h THR 174 CO -0.10 0.25 -0.23 -1.13 -0.25 0.00 0.00 175.52 174.07 3gpw h ASN 175 N 0.61 -0.57 -0.54 5.36 -0.73 -0.82 -0.56 115.58 118.34 3gpw h ASN 175 Ca 0.14 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 3gpw h ASN 175 Cb 0.24 0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 3gpw h ASN 175 CO -0.00 -0.36 0.30 -0.07 -0.37 0.00 0.00 177.43 176.93 3gpw h LEU 176 N -0.55 0.68 -0.54 0.34 3.38 -0.65 -2.10 115.31 115.86 3gpw h LEU 176 Ca -0.03 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3gpw h LEU 176 Cb 0.47 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.97 3gpw h LEU 176 CO 0.02 0.57 0.14 -0.33 0.09 0.00 0.00 178.44 178.93 3gpw h GLU 177 N 0.73 0.28 -0.23 1.13 5.08 -0.45 -1.51 114.58 119.61 3gpw h GLU 177 Ca 0.19 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3gpw h GLU 177 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3gpw h GLU 177 CO -0.03 0.18 0.13 -0.91 -1.00 0.00 0.00 179.01 177.38 3gpw h ASN 178 N 0.29 0.21 -0.84 1.42 -0.26 -0.68 -2.66 115.58 113.05 3gpw h ASN 178 Ca 0.27 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 56.09 3gpw h ASN 178 Cb 0.36 -0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 37.51 3gpw h ASN 178 CO -0.33 0.16 0.50 -0.74 -1.06 0.00 0.00 177.43 175.96 3gpw h HIS 179 N 0.27 0.92 0.00 1.19 2.76 -0.69 -2.21 115.15 117.39 3gpw h HIS 179 Ca 0.09 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 3gpw h HIS 179 Cb -0.00 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.66 3gpw h HIS 179 CO -0.08 0.43 -0.02 1.19 -1.30 0.00 0.00 177.93 178.15 3gpw n PHE 17 N -4.67 0.00 0.00 5.26 3.72 -0.65 -0.89 117.46 120.23 3gpw n PHE 17 Ca 0.13 -0.81 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 3gpw n PHE 17 Cb 0.21 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 3gpw n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3gpw n LYS 17 N 1.75 0.00 0.21 -1.08 4.81 -0.83 -1.11 118.16 121.91 3gpw n LYS 17 Ca 0.04 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.53 3gpw n LYS 17 Cb 0.42 0.00 0.46 0.00 0.02 0.00 0.00 35.03 35.93 3gpw n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gpw h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.29 -3.46 113.55 116.58 3gpw h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpw h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gpw h SER 17 CO 0.00 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 3gpw n LYS 17 N -4.09 -0.22 -4.27 4.77 5.02 -0.27 -4.99 118.16 114.11 3gpw n LYS 17 Ca -0.02 0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 3gpw n LYS 17 Cb 0.33 -3.44 -0.08 0.00 -0.02 0.00 0.00 35.03 31.82 3gpw n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3gpw s ILE 18 N -2.47 3.01 -0.58 -0.18 -4.36 -1.26 -5.05 121.20 110.32 3gpw s ILE 18 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3gpw s ILE 18 Cb 0.00 -2.83 0.52 0.00 1.25 0.00 0.00 42.46 41.40 3gpw s ILE 18 CO 0.00 -0.27 1.95 -0.90 0.24 0.00 0.00 174.94 175.96 3gpw n ASP 18 N -0.96 6.27 -3.60 4.36 5.75 -1.26 -4.85 116.55 122.26 3gpw n ASP 18 Ca -0.05 -3.74 -0.03 0.00 -0.01 0.00 0.00 54.79 50.97 3gpw n ASP 18 Cb 0.61 -0.90 -0.02 0.00 -1.03 0.00 0.00 41.12 39.78 3gpw n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3gpw s HIS 18 N -3.65 -0.11 -0.67 2.11 -3.43 -1.26 -4.87 115.29 103.42 3gpw s HIS 18 Ca 0.61 0.04 -0.26 0.00 -0.80 0.00 0.00 55.06 54.65 3gpw s HIS 18 Cb 0.49 0.53 0.04 0.00 -1.43 0.00 0.00 32.58 32.21 3gpw s HIS 18 CO 0.03 -0.26 1.17 0.42 -2.00 0.00 0.00 174.74 174.10 3gpw s ILE 18 N -2.48 3.96 -0.32 -5.38 -1.09 0.25 -5.01 121.20 111.14 3gpw s ILE 18 Ca 0.11 0.38 -0.28 0.00 -2.23 0.00 0.00 60.65 58.62 3gpw s ILE 18 Cb 0.01 -4.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 3gpw s ILE 18 CO -0.04 -1.59 1.95 0.21 -1.23 0.00 0.00 174.94 174.24 3gpw s ASN 184 N 3.45 5.66 0.00 3.58 3.04 -1.26 -3.28 114.94 126.13 3gpw s ASN 184 Ca 0.34 1.41 0.00 0.00 0.04 0.00 0.00 52.86 54.65 3gpw s ASN 184 Cb -0.10 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.09 3gpw s ASN 184 CO 0.17 -1.88 0.00 -0.62 -3.04 0.00 0.00 177.10 171.73 3gpw n GLU 18 N 8.59 2.33 -4.01 0.43 4.71 -1.26 -5.00 120.64 126.43 3gpw n GLU 18 Ca 0.25 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 57.04 3gpw n GLU 18 Cb 0.47 -0.79 -0.07 0.00 -1.01 0.00 0.00 31.44 30.04 3gpw n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3gpw s SER 18 N -2.13 6.09 0.38 1.62 1.04 -1.26 -4.86 113.70 114.58 3gpw s SER 18 Ca 0.00 0.38 0.15 0.00 0.48 0.00 0.00 55.95 56.95 3gpw s SER 18 Cb 0.00 -1.91 0.76 0.00 0.10 0.00 0.00 66.02 64.97 3gpw s SER 18 CO 0.00 0.39 1.83 4.11 0.98 0.00 0.00 173.24 180.55 3gpw h TRP 186 N 4.95 0.00 -0.50 5.02 5.08 -1.99 -2.90 115.95 125.61 3gpw h TRP 186 Ca -0.54 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.52 3gpw h TRP 186 Cb 1.22 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.30 3gpw h TRP 186 CO 0.72 0.36 0.07 0.93 -1.28 0.00 0.00 178.44 179.25 3gpw h GLU 187 N 0.00 0.19 -0.23 0.12 3.07 -1.99 0.52 114.58 116.26 3gpw h GLU 187 Ca -0.00 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 3gpw h GLU 187 Cb 0.68 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 3gpw h GLU 187 CO 0.05 0.13 -0.30 0.87 -1.40 0.00 0.00 179.01 178.35 3gpw h LYS 188 N 0.20 0.46 -0.43 2.33 1.79 -1.94 -0.84 116.57 118.13 3gpw h LYS 188 Ca 0.25 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 3gpw h LYS 188 Cb 0.35 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3gpw h LYS 188 CO -0.35 0.71 -0.03 0.28 -1.08 0.00 0.00 179.45 178.98 3gpw h VAL 189 N 0.40 1.27 -0.92 0.50 2.07 -1.00 0.15 116.25 118.71 3gpw h VAL 189 Ca 0.05 -1.09 0.04 0.00 0.82 0.00 0.00 66.70 66.53 3gpw h VAL 189 Cb 0.73 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3gpw h VAL 189 CO 0.06 0.37 0.60 0.58 0.02 0.00 0.00 177.57 179.20 3gpw h VAL 190 N 0.62 1.14 -0.30 2.57 2.07 0.30 0.10 116.25 122.74 3gpw h VAL 190 Ca 0.12 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3gpw h VAL 190 Cb 0.53 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3gpw h VAL 190 CO 0.03 0.21 -0.02 -0.33 0.02 0.00 0.00 177.57 177.48 3gpw h GLU 191 N 1.13 0.55 -0.38 1.57 5.08 -0.42 -0.48 114.58 121.63 3gpw h GLU 191 Ca 0.37 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 3gpw h GLU 191 Cb 0.06 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3gpw h GLU 191 CO -0.12 0.70 0.18 0.35 -1.00 0.00 0.00 179.01 179.12 3gpw h PHE 192 N 0.33 0.33 0.12 4.33 3.04 -0.08 0.22 116.94 125.25 3gpw h PHE 192 Ca 0.08 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.07 3gpw h PHE 192 Cb 0.47 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.84 3gpw h PHE 192 CO 0.04 0.17 -0.39 0.00 -2.02 0.00 0.00 178.31 176.11 3gpw h ALA 193 N 1.20 -0.68 -0.77 2.41 0.00 -0.56 -1.40 119.26 119.46 3gpw h ALA 193 Ca 0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gpw h ALA 193 Cb 0.08 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3gpw h ALA 193 CO -0.12 -0.95 0.37 0.82 0.00 0.00 0.00 179.25 179.37 3gpw h ILE 194 N -0.62 1.24 0.48 0.00 2.04 -0.78 -1.89 117.51 117.97 3gpw h ILE 194 Ca 0.02 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 3gpw h ILE 194 Cb 0.65 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3gpw h ILE 194 CO -0.22 0.29 -0.38 0.74 0.00 0.00 0.00 178.15 178.57 3gpw h THR 195 N 1.09 0.23 0.00 -0.27 2.02 -0.11 -1.47 112.91 114.41 3gpw h THR 195 Ca 0.27 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3gpw h THR 195 Cb 0.10 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3gpw h THR 195 CO -0.03 0.00 -0.09 0.45 0.37 0.00 0.00 175.52 176.22 3gpw h HIS 196 N -0.85 0.00 -0.25 3.16 3.86 -1.19 -0.70 115.15 119.18 3gpw h HIS 196 Ca -0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3gpw h HIS 196 Cb 0.73 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 3gpw h HIS 196 CO -0.16 0.09 0.10 1.98 0.86 0.00 0.00 177.93 180.80 3gpw h MET 197 N 0.00 0.36 0.56 2.45 -1.53 -0.68 -1.68 114.93 114.41 3gpw h MET 197 Ca -0.00 -0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.17 3gpw h MET 197 Cb 0.27 -0.06 0.01 0.00 -0.55 0.00 0.00 31.60 31.27 3gpw h MET 197 CO 0.01 0.39 -0.27 0.82 0.14 0.00 0.00 176.91 178.00 3gpw h ILE 198 N 0.25 0.41 -0.40 1.77 2.04 -0.16 -0.82 117.51 120.60 3gpw h ILE 198 Ca 0.08 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.85 3gpw h ILE 198 Cb 0.16 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 36.63 3gpw h ILE 198 CO -0.01 0.03 -0.28 0.44 0.00 0.00 0.00 178.15 178.32 3gpw h ASP 199 N -0.87 -0.95 -0.38 1.72 3.45 -1.21 1.19 116.42 119.36 3gpw h ASP 199 Ca -0.08 0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 3gpw h ASP 199 Cb 0.62 0.46 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 3gpw h ASP 199 CO 0.13 -0.29 0.12 0.00 -1.57 0.00 0.00 179.24 177.62 3gpw h ALA 200 N 0.89 0.50 -0.00 3.45 0.00 -1.30 -2.92 119.26 119.88 3gpw h ALA 200 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gpw h ALA 200 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gpw h ALA 200 CO -0.53 0.15 -0.20 1.28 0.00 0.00 0.00 179.25 179.96 3gpw n LEU 201 N -4.61 0.52 -3.67 0.00 4.77 -0.32 -4.79 117.00 108.90 3gpw n LEU 201 Ca -0.01 0.02 -0.27 0.00 -0.03 0.00 0.00 56.01 55.72 3gpw n LEU 201 Cb 0.18 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 3gpw n LEU 201 CO 0.38 0.10 0.12 0.61 -1.33 0.00 0.00 177.39 177.26 3gpw n GLY 202 N 1.36 -0.51 3.15 -0.72 0.00 0.41 -4.98 105.19 103.90 3gpw n GLY 202 Ca 0.11 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3gpw n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 203 N -3.25 0.78 0.14 2.61 2.01 -1.10 -5.04 115.64 111.80 3gpw s THR 203 Ca 0.58 -1.64 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 3gpw s THR 203 Cb -0.28 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 3gpw s THR 203 CO 0.72 -0.63 0.34 -0.70 -0.69 0.00 0.00 174.62 173.65 3gpw s GLU 204 N -2.92 3.54 0.02 4.92 2.56 -1.26 -4.51 118.70 121.06 3gpw s GLU 204 Ca 0.05 -0.26 0.05 0.00 0.00 0.00 0.00 54.97 54.81 3gpw s GLU 204 Cb -0.01 -2.89 -0.02 0.00 2.00 0.00 0.00 34.13 33.20 3gpw s GLU 204 CO -0.01 0.48 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.95 3gpw s PHE 205 N -1.69 1.40 0.53 5.30 0.40 -1.26 -5.09 117.98 117.56 3gpw s PHE 205 Ca 0.39 -0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.48 3gpw s PHE 205 Cb -0.12 -0.85 0.09 0.00 0.51 0.00 0.00 43.02 42.64 3gpw s PHE 205 CO 0.27 0.03 0.71 -1.13 0.70 0.00 0.00 175.22 175.80 3gpw n SER 206 N 2.14 1.95 0.17 1.36 3.41 -1.26 -4.98 113.62 116.41 3gpw n SER 206 Ca -0.17 -2.41 0.13 0.00 -0.26 0.00 0.00 58.87 56.16 3gpw n SER 206 Cb 0.54 -0.37 0.56 0.00 -0.26 0.00 0.00 64.21 64.68 3gpw n SER 206 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3gpw h LYS 207 N 0.00 0.00 -0.47 4.33 2.10 -1.94 -2.91 116.57 117.68 3gpw h LYS 207 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3gpw h LYS 207 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3gpw h LYS 207 CO 0.36 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.90 3gpw n ASN 208 N -2.45 3.68 -0.00 7.07 3.02 -1.26 -4.28 115.26 121.04 3gpw n ASN 208 Ca 0.01 -2.25 0.09 0.00 -0.03 0.00 0.00 54.58 52.41 3gpw n ASN 208 Cb 0.23 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.88 3gpw n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gpw n ASP 209 N 0.71 0.84 -4.72 6.41 10.43 -1.10 -4.72 116.55 124.40 3gpw n ASP 209 Ca 0.19 -0.81 -0.29 0.00 2.57 0.00 0.00 54.79 56.45 3gpw n ASP 209 Cb 0.64 1.15 -0.08 0.00 1.84 0.00 0.00 41.12 44.66 3gpw n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gpw s LEU 210 N -3.15 2.68 -0.20 0.64 1.43 -1.26 0.20 118.68 119.03 3gpw s LEU 210 Ca 0.05 -1.42 -0.09 0.00 -1.03 0.00 0.00 54.13 51.65 3gpw s LEU 210 Cb 0.14 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.48 3gpw s LEU 210 CO 0.80 -0.68 0.45 -0.70 0.23 0.00 0.00 176.35 176.45 3gpw s GLU 211 N -3.86 0.40 0.00 1.70 2.12 -0.27 -4.50 118.70 114.29 3gpw s GLU 211 Ca 0.25 0.96 0.05 0.00 0.36 0.00 0.00 54.97 56.59 3gpw s GLU 211 Cb 0.05 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 3gpw s GLU 211 CO 0.13 -0.20 -0.17 0.08 -0.54 0.00 0.00 175.26 174.57 3gpw s VAL 212 N 1.99 1.33 -0.02 3.70 1.01 -1.26 -1.24 120.40 125.90 3gpw s VAL 212 Ca -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3gpw s VAL 212 Cb -0.10 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 3gpw s VAL 212 CO -0.14 0.31 -0.13 -0.83 0.00 0.00 0.00 175.10 174.31 3gpw s GLY 213 N -0.58 0.66 0.02 4.51 0.00 -0.33 -0.84 107.32 110.76 3gpw s GLY 213 Ca 0.06 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.32 3gpw s GLY 213 CO -0.00 -0.34 -0.17 0.14 0.00 0.00 0.00 173.10 172.72 3gpw s VAL 214 N -0.11 1.38 -0.10 1.40 1.01 0.27 -1.39 120.40 122.85 3gpw s VAL 214 Ca 0.01 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3gpw s VAL 214 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.13 3gpw s VAL 214 CO 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 175.10 175.14 3gpw s ALA 215 N -0.67 1.71 0.41 5.51 0.00 0.16 0.28 121.76 129.17 3gpw s ALA 215 Ca 0.05 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3gpw s ALA 215 Cb -0.08 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3gpw s ALA 215 CO 0.01 0.01 0.15 0.95 0.00 0.00 0.00 175.76 176.87 3gpw s THR 216 N 0.84 0.51 -0.17 0.00 -4.23 0.36 -0.98 115.64 111.98 3gpw s THR 216 Ca -0.10 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.05 3gpw s THR 216 Cb -0.15 -2.32 -0.13 0.00 1.34 0.00 0.00 72.50 71.23 3gpw s THR 216 CO 0.01 0.00 1.84 1.17 -0.54 0.00 0.00 174.62 177.10 3gpw n LYS 217 N -0.92 1.77 -1.25 3.99 3.00 -1.26 -1.35 118.16 122.14 3gpw n LYS 217 Ca -0.05 0.65 -0.09 0.00 -0.00 0.00 0.00 58.31 58.82 3gpw n LYS 217 Cb 0.65 -2.44 -0.04 0.00 0.00 0.00 0.00 35.03 33.20 3gpw n LYS 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3gpw n ASP 218 N 6.30 -5.26 -3.60 3.14 8.00 -1.26 -4.96 116.55 118.90 3gpw n ASP 218 Ca 0.25 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.84 3gpw n ASP 218 Cb 0.23 -3.52 -0.06 0.00 -0.02 0.00 0.00 41.12 37.75 3gpw n ASP 218 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3gpw s LYS 220 N -2.55 0.69 -0.05 -1.24 2.20 -0.46 -4.69 119.74 113.65 3gpw s LYS 220 Ca 0.00 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.17 3gpw s LYS 220 Cb 0.00 0.33 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 3gpw s LYS 220 CO 0.00 -0.14 -0.10 0.12 -0.36 0.00 0.00 175.35 174.88 3gpw s PHE 221 N -0.24 1.17 0.07 4.03 2.19 -0.77 0.14 117.98 124.57 3gpw s PHE 221 Ca -0.01 -0.39 -0.07 0.00 0.33 0.00 0.00 56.93 56.80 3gpw s PHE 221 Cb -0.03 -0.89 -0.01 0.00 -1.31 0.00 0.00 43.02 40.78 3gpw s PHE 221 CO -0.00 -0.22 0.13 -0.59 1.83 0.00 0.00 175.22 176.37 3gpw s PHE 222 N 0.64 0.23 0.05 10.12 -0.12 0.14 -4.91 117.98 124.12 3gpw s PHE 222 Ca -0.12 -0.66 0.02 0.00 -0.05 0.00 0.00 56.93 56.13 3gpw s PHE 222 Cb -0.14 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3gpw s PHE 222 CO 0.02 -0.48 0.05 0.95 -0.05 0.00 0.00 175.22 175.71 3gpw s THR 223 N -3.65 4.42 0.49 -4.49 -4.23 -1.26 0.95 115.64 107.87 3gpw s THR 223 Ca 0.04 -0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 59.79 3gpw s THR 223 Cb 0.04 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 3gpw s THR 223 CO -0.10 0.23 0.82 -0.76 -0.54 0.00 0.00 174.62 174.28 3gpw s LEU 224 N -2.05 3.61 0.43 4.79 1.43 -0.02 -4.95 118.68 121.90 3gpw s LEU 224 Ca 0.25 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 3gpw s LEU 224 Cb -0.12 -4.02 -0.00 0.00 0.03 0.00 0.00 46.19 42.08 3gpw s LEU 224 CO 0.17 -0.58 0.62 -0.94 0.23 0.00 0.00 176.35 175.85 3gpw s SER 225 N -3.89 5.82 0.29 2.29 1.04 -1.26 -4.66 113.70 113.33 3gpw s SER 225 Ca 0.50 0.11 0.03 0.00 0.48 0.00 0.00 55.95 57.07 3gpw s SER 225 Cb -0.10 -1.37 0.70 0.00 0.10 0.00 0.00 66.02 65.35 3gpw s SER 225 CO 0.43 -0.66 1.72 0.00 0.98 0.00 0.00 173.24 175.70 3gpw h ALA 226 N 0.52 1.45 -0.20 5.32 0.00 -1.97 0.22 119.26 124.61 3gpw h ALA 226 Ca -0.46 0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 3gpw h ALA 226 Cb 1.26 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3gpw h ALA 226 CO 0.55 -0.27 -0.62 0.93 0.00 0.00 0.00 179.25 179.84 3gpw h GLU 227 N 0.48 0.68 -0.47 0.00 4.39 -1.93 -0.29 114.58 117.44 3gpw h GLU 227 Ca 0.55 -0.47 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 3gpw h GLU 227 Cb 0.99 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 3gpw h GLU 227 CO -0.48 1.09 0.16 -0.91 -1.16 0.00 0.00 179.01 177.71 3gpw h ASN 228 N 0.50 0.61 0.02 1.42 -0.26 -1.49 -1.96 115.58 114.42 3gpw h ASN 228 Ca -0.01 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3gpw h ASN 228 Cb 1.21 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 3gpw h ASN 228 CO 0.12 0.58 -0.01 0.40 -1.06 0.00 0.00 177.43 177.46 3gpw h ILE 229 N 0.67 1.34 -0.64 2.81 2.04 -0.84 -2.98 117.51 119.91 3gpw h ILE 229 Ca 0.16 -1.12 0.13 0.00 1.00 0.00 0.00 64.86 65.03 3gpw h ILE 229 Cb 0.17 2.10 -0.10 0.00 -0.74 0.00 0.00 36.82 38.25 3gpw h ILE 229 CO -0.01 0.29 0.06 -0.08 0.00 0.00 0.00 178.15 178.41 3gpw h GLU 230 N -0.51 0.17 -0.46 2.37 4.57 -0.76 0.87 114.58 120.82 3gpw h GLU 230 Ca -0.00 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 3gpw h GLU 230 Cb 0.49 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3gpw h GLU 230 CO 0.00 0.11 0.32 1.49 -1.18 0.00 0.00 179.01 179.75 3gpw h GLU 231 N 0.17 0.18 -0.03 1.92 4.81 -1.37 0.73 114.58 121.00 3gpw h GLU 231 Ca 0.34 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.51 3gpw h GLU 231 Cb 0.55 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3gpw h GLU 231 CO -0.50 0.12 -0.19 -0.09 -0.73 0.00 0.00 179.01 177.62 3gpw h ARG 232 N 0.19 0.17 -0.69 1.92 9.65 0.74 -2.78 114.38 123.58 3gpw h ARG 232 Ca 0.21 -0.15 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 3gpw h ARG 232 Cb 0.60 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.17 3gpw h ARG 232 CO -0.03 0.83 0.46 -0.07 2.80 0.00 0.00 179.97 183.95 3gpw h LEU 233 N -0.43 0.78 -0.02 3.80 4.07 0.52 -2.21 115.31 121.81 3gpw h LEU 233 Ca -0.02 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 3gpw h LEU 233 Cb 0.87 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 3gpw h LEU 233 CO 0.04 0.56 0.00 0.58 -1.08 0.00 0.00 178.44 178.54 3gpw h VAL 234 N 0.92 1.23 -0.58 1.22 2.07 -0.94 -2.09 116.25 118.07 3gpw h VAL 234 Ca 0.26 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 67.17 3gpw h VAL 234 Cb -0.07 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 31.29 3gpw h VAL 234 CO -0.06 0.18 0.22 0.00 0.02 0.00 0.00 177.57 177.94 3gpw h ALA 235 N 0.72 0.75 0.00 1.67 0.00 -1.18 0.03 119.26 121.25 3gpw h ALA 235 Ca 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3gpw h ALA 235 Cb 0.30 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gpw h ALA 235 CO 0.00 -0.19 -0.20 -0.84 0.00 0.00 0.00 179.25 178.03 3gpw h ILE 236 N 0.41 0.62 -0.21 0.00 -0.00 -1.36 -2.64 117.51 114.33 3gpw h ILE 236 Ca 0.29 -0.90 -0.14 0.00 -0.00 0.00 0.00 64.86 64.11 3gpw h ILE 236 Cb 0.34 1.59 -0.01 0.00 -0.00 0.00 0.00 36.82 38.74 3gpw h ILE 236 CO -0.29 0.19 -0.45 0.00 -0.00 0.00 0.00 178.15 177.60 3gpw h ALA 237 N 1.80 0.83 -0.24 0.16 0.00 -0.29 -3.16 119.26 118.36 3gpw h ALA 237 Ca -0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 3gpw h ALA 237 Cb 0.57 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 3gpw h ALA 237 CO 0.03 0.66 0.06 0.39 0.00 0.00 0.00 179.25 180.38 3gpw n GLU 238 N -4.00 1.89 0.00 0.00 1.02 -0.80 -2.99 120.64 115.76 3gpw n GLU 238 Ca -0.02 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 3gpw n GLU 238 Cb 0.54 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3gpw n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3gpw n GLN 239 N 1.43 1.09 0.00 3.49 7.27 -1.19 -5.04 117.38 124.43 3gpw n GLN 239 Ca 0.34 0.00 0.08 0.00 0.07 0.00 0.00 57.00 57.49 3gpw n GLN 239 Cb 0.67 -0.23 0.06 0.00 2.41 0.00 0.00 30.24 33.16 3gpw n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88