#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s TYR 8 N 0.00 2.18 -0.06 1.61 5.04 -1.26 -4.86 117.35 119.99 3gpw s TYR 8 Ca 0.00 0.55 0.24 0.00 -2.44 0.00 0.00 57.07 55.42 3gpw s TYR 8 Cb 0.00 -3.93 0.44 0.00 0.35 0.00 0.00 41.96 38.82 3gpw s TYR 8 CO 0.00 -2.89 1.16 -0.40 -1.34 0.00 0.00 175.55 172.08 3gpw n ASP 9 N 8.09 1.20 -4.77 4.32 5.75 -1.26 -3.98 116.55 125.91 3gpw n ASP 9 Ca 0.18 -2.15 -0.40 0.00 -0.01 0.00 0.00 54.79 52.41 3gpw n ASP 9 Cb 0.45 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3gpw n ASP 9 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3gpw s ARG 10 N -0.93 3.95 -0.79 0.11 3.00 -1.26 -3.75 118.95 119.27 3gpw s ARG 10 Ca 0.33 2.35 -0.26 0.00 -1.00 0.00 0.00 55.73 57.15 3gpw s ARG 10 Cb 0.38 -2.81 0.03 0.00 0.00 0.00 0.00 34.95 32.55 3gpw s ARG 10 CO -0.14 -0.58 1.35 0.00 0.00 0.00 0.00 175.30 175.93 3gpw s ALA 11 N -1.19 2.70 0.05 6.12 0.00 -1.26 -0.05 121.76 128.12 3gpw s ALA 11 Ca 0.56 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3gpw s ALA 11 Cb -0.42 -4.32 -0.24 0.00 0.00 0.00 0.00 23.12 18.14 3gpw s ALA 11 CO 0.55 -3.40 1.02 -0.07 0.00 0.00 0.00 175.76 173.86 3gpw h LEU 12 N 13.22 0.17 -7.88 0.00 3.38 -1.85 -3.41 115.31 118.94 3gpw h LEU 12 Ca -0.18 -0.23 -0.75 0.00 0.09 0.00 0.00 57.88 56.81 3gpw h LEU 12 Cb 1.05 -0.06 -0.28 0.00 0.09 0.00 0.00 40.66 41.46 3gpw h LEU 12 CO 1.30 1.19 -0.19 -0.44 0.09 0.00 0.00 178.44 180.39 3gpw s SER 13 N -6.73 6.09 0.40 -0.43 0.01 -1.26 -4.69 113.70 107.10 3gpw s SER 13 Ca -0.04 -2.29 0.03 0.00 1.31 0.00 0.00 55.95 54.96 3gpw s SER 13 Cb 0.08 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3gpw s SER 13 CO 0.84 -0.64 0.09 0.27 0.41 0.00 0.00 173.24 174.21 3gpw s ILE 14 N 0.79 0.87 0.23 1.44 -0.00 -1.26 -4.81 121.20 118.46 3gpw s ILE 14 Ca 0.11 -2.00 -0.18 0.00 -0.00 0.00 0.00 60.65 58.58 3gpw s ILE 14 Cb -0.21 -2.45 -0.08 0.00 -0.00 0.00 0.00 42.46 39.72 3gpw s ILE 14 CO -0.03 0.00 0.69 -0.36 -0.00 0.00 0.00 174.94 175.24 3gpw s PHE 15 N -3.17 3.59 0.26 1.37 0.08 -1.26 -4.27 117.98 114.58 3gpw s PHE 15 Ca 0.24 1.29 0.08 0.00 0.12 0.00 0.00 56.93 58.66 3gpw s PHE 15 Cb 0.04 -2.55 -0.04 0.00 -0.57 0.00 0.00 43.02 39.90 3gpw s PHE 15 CO 0.13 0.31 0.13 -1.54 -0.10 0.00 0.00 175.22 174.15 3gpw s SER 16 N -1.79 5.20 0.39 1.36 1.04 0.44 -4.94 113.70 115.40 3gpw s SER 16 Ca 0.44 -0.38 0.25 0.00 0.48 0.00 0.00 55.95 56.74 3gpw s SER 16 Cb -0.15 -1.22 1.36 0.00 0.10 0.00 0.00 66.02 66.12 3gpw s SER 16 CO 0.20 -0.03 1.51 -2.65 0.98 0.00 0.00 173.24 173.26 3gpw n PRO 17 N -1.09 -0.05 -0.10 4.02 -0.02 -1.26 0.24 135.00 136.74 3gpw n PRO 17 Ca -0.07 1.27 0.03 0.00 -2.02 0.00 0.00 63.50 62.71 3gpw n PRO 17 Cb 0.58 -2.39 0.09 0.00 -0.02 0.00 0.00 33.50 31.77 3gpw n PRO 17 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3gpw n ASP 18 N -4.93 1.07 0.00 2.55 5.75 -1.26 -4.88 116.55 114.85 3gpw n ASP 18 Ca 0.38 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 3gpw n ASP 18 Cb 1.37 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 3gpw n ASP 18 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gpw n GLY 19 N 0.82 0.38 3.87 6.12 0.00 0.14 -5.06 105.19 111.45 3gpw n GLY 19 Ca 0.07 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 3gpw n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gpw s HIS 20 N -2.00 3.16 -0.47 1.61 3.76 -1.22 -4.83 115.29 115.30 3gpw s HIS 20 Ca 0.00 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.82 3gpw s HIS 20 Cb 0.00 -1.51 0.13 0.00 1.11 0.00 0.00 32.58 32.30 3gpw s HIS 20 CO 0.00 0.44 0.22 0.42 -0.85 0.00 0.00 174.74 174.96 3gpw s ILE 21 N -2.13 2.21 0.32 0.60 1.01 -1.26 -0.42 121.20 121.53 3gpw s ILE 21 Ca 0.35 -2.92 0.06 0.00 0.00 0.00 0.00 60.65 58.13 3gpw s ILE 21 Cb -0.08 -2.56 0.31 0.00 0.01 0.00 0.00 42.46 40.14 3gpw s ILE 21 CO 0.26 -0.78 1.82 -0.26 0.00 0.00 0.00 174.94 175.98 3gpw h PHE 22 N 6.79 1.00 -0.00 3.97 0.04 -1.95 -0.97 116.94 125.82 3gpw h PHE 22 Ca -0.06 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 3gpw h PHE 22 Cb 0.92 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.76 3gpw h PHE 22 CO 0.50 0.32 -0.14 1.96 -0.60 0.00 0.00 178.31 180.35 3gpw h GLN 23 N 0.80 0.00 0.15 1.51 1.08 -1.88 0.68 115.11 117.45 3gpw h GLN 23 Ca 0.51 -0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.45 3gpw h GLN 23 Cb 0.74 -0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.20 3gpw h GLN 23 CO -0.29 0.14 -1.14 0.28 -0.95 0.00 0.00 178.83 176.88 3gpw h VAL 24 N 0.00 1.35 -0.41 -0.54 2.07 -1.62 -2.32 116.25 114.79 3gpw h VAL 24 Ca -0.00 -2.51 0.02 0.00 0.82 0.00 0.00 66.70 65.03 3gpw h VAL 24 Cb 0.25 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 3gpw h VAL 24 CO 0.02 0.74 0.24 -0.08 0.02 0.00 0.00 177.57 178.51 3gpw h GLU 25 N 0.04 0.47 0.00 1.57 4.57 -0.43 -1.07 114.58 119.73 3gpw h GLU 25 Ca -0.19 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 3gpw h GLU 25 Cb 1.86 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.34 3gpw h GLU 25 CO 0.22 0.31 -0.25 1.88 -1.18 0.00 0.00 179.01 179.99 3gpw h TYR 26 N 0.49 0.00 -0.60 0.92 0.05 0.26 -1.99 116.97 116.10 3gpw h TYR 26 Ca 0.16 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 3gpw h TYR 26 Cb 0.01 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.72 3gpw h TYR 26 CO -0.07 0.25 0.09 0.00 -1.05 0.00 0.00 178.16 177.38 3gpw h ALA 27 N 1.75 1.02 -0.77 3.88 0.00 -0.63 -1.95 119.26 122.56 3gpw h ALA 27 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gpw h ALA 27 Cb 0.61 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3gpw h ALA 27 CO 0.03 0.62 0.34 -0.07 0.00 0.00 0.00 179.25 180.17 3gpw h LEU 28 N 0.92 1.02 -2.02 0.00 3.38 -0.60 -1.94 115.31 116.06 3gpw h LEU 28 Ca 0.19 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gpw h LEU 28 Cb 0.41 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gpw h LEU 28 CO 0.01 0.88 0.01 -0.33 0.09 0.00 0.00 178.44 179.10 3gpw h GLU 29 N 1.10 0.00 0.00 1.13 4.39 -1.12 0.12 114.58 120.20 3gpw h GLU 29 Ca 0.26 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 3gpw h GLU 29 Cb 0.15 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3gpw h GLU 29 CO -0.03 0.00 -0.63 0.00 -1.16 0.00 0.00 179.01 177.19 3gpw h ALA 30 N 1.99 0.92 -0.22 3.43 0.00 -0.95 -2.84 119.26 121.58 3gpw h ALA 30 Ca 0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 3gpw h ALA 30 Cb 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gpw h ALA 30 CO -0.00 0.79 -0.37 0.28 0.00 0.00 0.00 179.25 179.95 3gpw h VAL 31 N 0.00 1.32 -0.81 0.00 2.07 -0.58 -2.82 116.25 115.42 3gpw h VAL 31 Ca -0.01 -1.58 0.11 0.00 0.82 0.00 0.00 66.70 66.04 3gpw h VAL 31 Cb 1.14 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.64 3gpw h VAL 31 CO 0.08 0.49 0.53 0.11 0.02 0.00 0.00 177.57 178.81 3gpw h LYS 32 N 0.35 0.69 0.00 1.57 1.57 -1.15 -0.34 116.57 119.26 3gpw h LYS 32 Ca 0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3gpw h LYS 32 Cb 0.96 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 3gpw h LYS 32 CO 0.08 0.45 -0.28 -0.09 -0.57 0.00 0.00 179.45 179.05 3gpw h ARG 33 N 0.71 0.00 -7.32 3.15 2.43 -1.36 -0.37 114.38 111.62 3gpw h ARG 33 Ca 0.38 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 59.04 3gpw h ARG 33 Cb 0.52 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.20 3gpw h ARG 33 CO -0.15 0.28 0.33 0.20 -1.51 0.00 0.00 179.97 179.12 3gpw s GLY 34 N -4.32 1.67 0.45 2.80 0.00 -0.14 -4.73 107.32 103.06 3gpw s GLY 34 Ca 0.01 0.23 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 3gpw s GLY 34 CO 0.66 0.57 1.40 -0.51 0.00 0.00 0.00 173.10 175.23 3gpw s THR 35 N -2.93 2.17 0.53 0.90 -4.23 -1.26 -1.51 115.64 109.31 3gpw s THR 35 Ca 0.61 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 61.04 3gpw s THR 35 Cb -0.17 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.53 3gpw s THR 35 CO 0.56 0.02 1.37 0.00 -0.54 0.00 0.00 174.62 176.02 3gpw s ALA 37 N -1.29 0.15 0.02 0.00 0.00 0.38 -1.69 121.76 119.33 3gpw s ALA 37 Ca 0.69 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 3gpw s ALA 37 Cb -0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3gpw s ALA 37 CO 0.49 0.01 0.04 0.54 0.00 0.00 0.00 175.76 176.84 3gpw s VAL 38 N -0.20 0.11 -0.05 0.00 0.11 0.99 -0.37 120.40 120.99 3gpw s VAL 38 Ca -0.01 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.11 3gpw s VAL 38 Cb -0.02 -0.43 0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3gpw s VAL 38 CO -0.00 -0.49 0.13 -0.83 -3.33 0.00 0.00 175.10 170.57 3gpw s GLY 39 N -1.57 -0.05 -0.01 6.54 0.00 0.16 0.21 107.32 112.59 3gpw s GLY 39 Ca -0.14 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.09 3gpw s GLY 39 CO -0.01 0.64 -0.04 -1.34 0.00 0.00 0.00 173.10 172.35 3gpw s VAL 40 N 0.63 0.37 -0.17 1.40 -7.23 -0.46 -0.75 120.40 114.20 3gpw s VAL 40 Ca -0.05 -0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.89 3gpw s VAL 40 Cb -0.06 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 3gpw s VAL 40 CO -0.03 0.13 0.07 -1.59 -0.31 0.00 0.00 175.10 173.37 3gpw s LYS 41 N 0.16 3.86 0.00 4.82 -2.85 -0.60 -0.68 119.74 124.45 3gpw s LYS 41 Ca -0.01 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 3gpw s LYS 41 Cb -0.05 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 3gpw s LYS 41 CO -0.00 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.23 3gpw n GLY 42 N 3.24 0.55 0.09 0.59 0.00 0.16 -4.55 105.19 105.28 3gpw n GLY 42 Ca -0.17 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 0.00 -0.02 1.61 3.64 -1.73 -3.39 116.57 116.67 3gpw h LYS 43 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3gpw h LYS 43 Cb 0.00 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 31.51 3gpw h LYS 43 CO 0.00 0.00 -0.80 0.27 -2.27 0.00 0.00 179.45 176.65 3gpw n ASN 44 N -2.45 0.38 -3.68 4.20 6.94 -1.26 -4.77 115.26 114.62 3gpw n ASN 44 Ca 0.01 -2.01 0.03 0.00 -0.02 0.00 0.00 54.58 52.59 3gpw n ASN 44 Cb 0.51 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 3gpw n ASN 44 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gpw s VAL 46 N -2.20 0.22 -0.05 0.00 1.01 -0.74 0.39 120.40 119.02 3gpw s VAL 46 Ca 0.20 -0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3gpw s VAL 46 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 3gpw s VAL 46 CO -0.04 0.08 -0.25 -0.69 0.00 0.00 0.00 175.10 174.21 3gpw s VAL 47 N 0.13 2.01 -0.19 2.92 1.01 0.14 -1.54 120.40 124.88 3gpw s VAL 47 Ca -0.01 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 60.92 3gpw s VAL 47 Cb -0.03 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.66 3gpw s VAL 47 CO -0.00 0.56 -0.16 -0.76 0.00 0.00 0.00 175.10 174.73 3gpw s LEU 48 N -0.17 2.31 0.04 3.92 1.43 -0.74 -1.36 118.68 124.11 3gpw s LEU 48 Ca -0.03 -0.59 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 3gpw s LEU 48 Cb -0.13 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3gpw s LEU 48 CO 0.03 -0.00 -0.19 -0.83 0.23 0.00 0.00 176.35 175.59 3gpw s GLY 49 N 1.33 1.54 0.01 -3.19 0.00 0.13 -1.71 107.32 105.43 3gpw s GLY 49 Ca 0.05 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 3gpw s GLY 49 CO -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 173.10 171.91 3gpw s GLU 51 N -0.90 3.60 -0.22 0.00 -1.05 -0.68 -2.26 118.70 117.19 3gpw s GLU 51 Ca -0.10 -0.13 -0.06 0.00 -0.15 0.00 0.00 54.97 54.54 3gpw s GLU 51 Cb -0.06 -2.81 -0.02 0.00 -0.44 0.00 0.00 34.13 30.80 3gpw s GLU 51 CO -0.00 0.41 0.02 1.03 0.95 0.00 0.00 175.26 177.66 3gpw s ARG 52 N -2.96 3.61 1.17 -4.83 0.52 0.14 -4.69 118.95 111.91 3gpw s ARG 52 Ca 0.41 -0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 3gpw s ARG 52 Cb -0.12 -3.16 0.20 0.00 0.52 0.00 0.00 34.95 32.40 3gpw s ARG 52 CO 0.26 -0.08 0.42 -2.13 0.02 0.00 0.00 175.30 173.80 3gpw n ARG 53 N 4.53 -2.34 -1.04 3.54 0.63 -1.26 -4.75 116.66 115.97 3gpw n ARG 53 Ca -0.17 -0.67 -0.01 0.00 -0.92 0.00 0.00 57.85 56.08 3gpw n ARG 53 Cb 0.52 -1.84 -0.02 0.00 0.45 0.00 0.00 32.46 31.57 3gpw n ARG 53 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3gpw n SER 54 N -3.09 0.05 0.19 6.15 7.64 -1.26 -4.88 113.62 118.42 3gpw n SER 54 Ca 0.03 -1.86 0.04 0.00 1.01 0.00 0.00 58.87 58.08 3gpw n SER 54 Cb 0.57 -0.05 0.45 0.00 -1.01 0.00 0.00 64.21 64.18 3gpw n SER 54 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3gpw h THR 55 N 6.07 1.16 -3.22 0.44 2.02 -2.07 -3.41 112.91 113.90 3gpw h THR 55 Ca -0.27 -0.76 -0.19 0.00 0.77 0.00 0.00 66.41 65.96 3gpw h THR 55 Cb 1.54 1.35 -0.27 0.00 -1.74 0.00 0.00 68.15 69.03 3gpw h THR 55 CO -0.06 0.22 -0.50 -0.76 0.37 0.00 0.00 175.52 174.80 3gpw s LEU 56 N -8.61 1.06 -0.05 2.58 2.01 -1.26 -5.15 118.68 109.26 3gpw s LEU 56 Ca -0.04 0.40 -0.02 0.00 0.01 0.00 0.00 54.13 54.48 3gpw s LEU 56 Cb 0.15 0.65 0.03 0.00 0.01 0.00 0.00 46.19 47.03 3gpw s LEU 56 CO 0.71 -0.09 0.08 -0.75 1.01 0.00 0.00 176.35 177.31 3gpw s LYS 57 N 0.40 -0.06 0.00 1.70 2.36 -1.26 -4.82 119.74 118.06 3gpw s LYS 57 Ca -0.02 0.40 0.00 0.00 -2.55 0.00 0.00 55.97 53.80 3gpw s LYS 57 Cb -0.04 -0.50 0.00 0.00 -1.05 0.00 0.00 37.83 36.24 3gpw s LYS 57 CO -0.02 -0.34 0.00 -0.11 1.55 0.00 0.00 175.35 176.44 3gpw n LEU 58 N 5.30 0.00 -4.75 5.43 7.94 -1.26 -5.16 117.00 124.50 3gpw n LEU 58 Ca -0.03 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.57 3gpw n LEU 58 Cb 0.50 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.56 3gpw n LEU 58 CO 0.06 0.00 0.69 -1.10 -1.11 0.00 0.00 177.39 175.92 3gpw s GLN 59 N 0.00 1.69 -0.64 1.96 -0.21 -1.26 -5.02 119.66 116.18 3gpw s GLN 59 Ca 0.00 0.80 -0.07 0.00 0.02 0.00 0.00 55.36 56.12 3gpw s GLN 59 Cb 0.00 -1.86 0.17 0.00 1.00 0.00 0.00 33.01 32.32 3gpw s GLN 59 CO 0.00 -1.94 0.49 0.34 -2.12 0.00 0.00 175.29 172.06 3gpw s ASP 60 N -3.59 5.68 0.55 5.90 3.68 -1.26 -4.96 116.67 122.67 3gpw s ASP 60 Ca 0.62 -2.62 0.27 0.00 2.13 0.00 0.00 52.55 52.95 3gpw s ASP 60 Cb -0.17 -1.96 1.46 0.00 -1.45 0.00 0.00 42.92 40.80 3gpw s ASP 60 CO 0.56 -0.48 1.99 0.71 0.13 0.00 0.00 175.17 178.08 3gpw h THR 61 N 5.36 0.62 0.01 1.71 1.35 -1.95 -1.63 112.91 118.38 3gpw h THR 61 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3gpw h THR 61 Cb 1.00 0.73 -0.00 0.00 -1.73 0.00 0.00 68.15 68.14 3gpw h THR 61 CO 0.75 0.00 -0.01 0.03 -0.25 0.00 0.00 175.52 176.03 3gpw h ARG 62 N 0.00 -0.03 0.05 4.72 3.08 -2.03 -3.33 114.38 116.83 3gpw h ARG 62 Ca 0.22 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.95 3gpw h ARG 62 Cb 0.97 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.99 3gpw h ARG 62 CO -0.00 -0.02 -1.88 0.44 -1.07 0.00 0.00 179.97 177.44 3gpw n ILE 62 N -5.11 1.66 -1.67 2.04 -5.35 -1.03 -4.92 119.36 104.98 3gpw n ILE 62 Ca -0.07 -0.74 -0.47 0.00 -0.27 0.00 0.00 62.75 61.20 3gpw n ILE 62 Cb 0.05 -1.28 -0.04 0.00 -1.74 0.00 0.00 39.64 36.63 3gpw n ILE 62 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 3gpw n THR 63 N -3.20 0.16 -1.64 7.28 -1.04 -0.64 -4.82 114.28 110.38 3gpw n THR 63 Ca -0.24 -0.03 -0.55 0.00 -2.04 0.00 0.00 64.05 61.19 3gpw n THR 63 Cb 1.05 -1.60 -0.07 0.00 -1.82 0.00 0.00 70.33 67.90 3gpw n THR 63 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3gpw n PRO 64 N 4.27 1.05 -1.68 -2.82 -0.04 -1.26 -4.93 135.00 129.59 3gpw n PRO 64 Ca 0.19 0.38 -0.32 0.00 -0.04 0.00 0.00 63.50 63.71 3gpw n PRO 64 Cb 0.28 -2.03 0.04 0.00 -0.04 0.00 0.00 33.50 31.76 3gpw n PRO 64 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gpw s SER 65 N 1.81 5.39 0.21 3.54 1.04 -1.26 -5.00 113.70 119.44 3gpw s SER 65 Ca 0.91 1.71 0.12 0.00 0.48 0.00 0.00 55.95 59.17 3gpw s SER 65 Cb -1.04 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 62.52 3gpw s SER 65 CO 0.56 -1.43 1.35 0.50 0.98 0.00 0.00 173.24 175.20 3gpw h LYS 66 N -0.40 0.00 -4.98 4.02 1.63 -1.96 -3.43 116.57 111.45 3gpw h LYS 66 Ca -0.45 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.72 3gpw h LYS 66 Cb 1.22 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.68 3gpw h LYS 66 CO 0.56 0.68 -0.53 0.08 -3.45 0.00 0.00 179.45 176.79 3gpw s VAL 67 N -2.86 5.18 -0.02 2.00 1.01 -1.26 -4.21 120.40 120.24 3gpw s VAL 67 Ca 0.03 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.18 3gpw s VAL 67 Cb 0.08 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3gpw s VAL 67 CO 0.78 0.30 -0.16 -0.44 0.00 0.00 0.00 175.10 175.58 3gpw s SER 68 N 1.47 3.94 -0.10 3.32 0.01 0.32 -4.92 113.70 117.73 3gpw s SER 68 Ca 0.07 -0.27 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 3gpw s SER 68 Cb -0.15 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 3gpw s SER 68 CO 0.08 0.31 0.66 -0.54 0.41 0.00 0.00 173.24 174.16 3gpw s LYS 69 N -0.97 4.38 -0.11 12.44 1.02 -1.26 0.11 119.74 135.34 3gpw s LYS 69 Ca 0.13 0.78 -0.10 0.00 0.02 0.00 0.00 55.97 56.80 3gpw s LYS 69 Cb -0.11 -3.47 -0.26 0.00 -0.52 0.00 0.00 37.83 33.47 3gpw s LYS 69 CO 0.02 0.00 0.42 0.82 -0.92 0.00 0.00 175.35 175.70 3gpw h ILE 70 N 4.85 0.75 -3.14 2.17 1.08 -1.18 -3.48 117.51 118.56 3gpw h ILE 70 Ca -0.39 -2.36 -0.18 0.00 -0.39 0.00 0.00 64.86 61.54 3gpw h ILE 70 Cb 1.18 2.54 -0.05 0.00 -3.07 0.00 0.00 36.82 37.43 3gpw h ILE 70 CO 0.76 0.81 -0.16 -0.67 -0.69 0.00 0.00 178.15 178.21 3gpw n ASP 71 N -3.66 -0.42 0.06 1.72 4.64 -1.15 -4.55 116.55 113.19 3gpw n ASP 71 Ca -0.30 -1.93 0.10 0.00 -1.38 0.00 0.00 54.79 51.28 3gpw n ASP 71 Cb 1.00 0.89 0.42 0.00 -1.04 0.00 0.00 41.12 42.39 3gpw n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3gpw n SER 72 N -2.23 0.32 0.00 1.67 3.41 -1.26 -3.10 113.62 112.43 3gpw n SER 72 Ca 0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3gpw n SER 72 Cb 0.27 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3gpw n SER 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gpw n HIS 73 N -1.84 0.00 -3.89 7.33 1.44 -1.26 -4.16 115.22 112.83 3gpw n HIS 73 Ca 0.03 -0.24 -0.14 0.00 -2.01 0.00 0.00 57.72 55.36 3gpw n HIS 73 Cb 0.23 -0.02 -0.15 0.00 0.12 0.00 0.00 29.99 30.17 3gpw n HIS 73 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3gpw s VAL 74 N -0.49 0.06 0.24 0.61 1.01 -1.18 -2.78 120.40 117.88 3gpw s VAL 74 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.13 3gpw s VAL 74 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 3gpw s VAL 74 CO 0.00 0.06 -0.19 0.68 0.00 0.00 0.00 175.10 175.66 3gpw s VAL 75 N 0.45 2.19 -0.03 2.92 -7.23 -0.09 -0.58 120.40 118.04 3gpw s VAL 75 Ca -0.04 -2.27 -0.01 0.00 -1.81 0.00 0.00 61.98 57.86 3gpw s VAL 75 Cb -0.06 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.75 3gpw s VAL 75 CO -0.01 -0.42 0.04 -0.22 -0.31 0.00 0.00 175.10 174.18 3gpw s LEU 76 N -3.28 0.68 0.43 1.32 0.20 0.31 -1.78 118.68 116.55 3gpw s LEU 76 Ca 0.25 0.05 0.06 0.00 0.69 0.00 0.00 54.13 55.19 3gpw s LEU 76 Cb -0.04 -0.12 -0.06 0.00 -0.43 0.00 0.00 46.19 45.54 3gpw s LEU 76 CO 0.11 -0.18 0.07 -0.94 -0.29 0.00 0.00 176.35 175.13 3gpw s SER 77 N 1.55 4.10 0.22 3.68 1.04 -0.49 -0.53 113.70 123.26 3gpw s SER 77 Ca -0.03 -1.31 -0.23 0.00 0.48 0.00 0.00 55.95 54.86 3gpw s SER 77 Cb -0.13 -0.29 0.04 0.00 0.10 0.00 0.00 66.02 65.75 3gpw s SER 77 CO -0.03 -0.55 0.86 0.72 0.98 0.00 0.00 173.24 175.22 3gpw s PHE 78 N -2.70 -0.14 -0.03 5.02 -0.12 -1.26 -1.58 117.98 117.17 3gpw s PHE 78 Ca 0.33 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.97 3gpw s PHE 78 Cb 0.07 0.68 0.03 0.00 -0.63 0.00 0.00 43.02 43.16 3gpw s PHE 78 CO 0.18 -1.03 -0.00 -1.12 -0.05 0.00 0.00 175.22 173.20 3gpw s SER 79 N -2.95 0.41 0.00 1.98 0.01 -0.80 -4.80 113.70 107.56 3gpw s SER 79 Ca 0.12 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.35 3gpw s SER 79 Cb -0.03 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.98 3gpw s SER 79 CO 0.05 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.22 3gpw n GLY 80 N 4.07 0.78 3.69 3.44 0.00 -1.26 -2.26 105.19 113.65 3gpw n GLY 80 Ca -0.26 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 4.32 0.06 0.99 1.43 0.46 -4.73 118.68 121.21 3gpw s LEU 81 Ca 0.00 2.16 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 3gpw s LEU 81 Cb 0.00 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.52 3gpw s LEU 81 CO 0.00 -0.74 1.55 0.78 0.23 0.00 0.00 176.35 178.17 3gpw h ASN 82 N 7.89 0.12 -0.89 2.29 -0.26 -1.97 -2.29 115.58 120.47 3gpw h ASN 82 Ca -0.38 -0.22 0.13 0.00 -0.56 0.00 0.00 56.30 55.26 3gpw h ASN 82 Cb 1.18 -0.03 -0.09 0.00 -1.06 0.00 0.00 38.32 38.32 3gpw h ASN 82 CO 0.91 0.32 0.51 0.00 -1.06 0.00 0.00 177.43 178.10 3gpw h ALA 83 N 0.81 1.34 -0.53 -0.83 0.00 -2.00 -1.29 119.26 116.77 3gpw h ALA 83 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3gpw h ALA 83 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gpw h ALA 83 CO 0.00 0.04 -0.07 -0.44 0.00 0.00 0.00 179.25 178.78 3gpw h ASP 84 N 0.77 0.94 -0.67 0.00 3.45 -1.91 -3.03 116.42 115.98 3gpw h ASP 84 Ca 0.46 -0.29 0.02 0.00 0.43 0.00 0.00 57.03 57.66 3gpw h ASP 84 Cb 0.55 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 3gpw h ASP 84 CO -0.31 1.04 0.44 0.77 -1.57 0.00 0.00 179.24 179.61 3gpw h SER 85 N 0.86 0.72 -0.83 6.45 4.64 -0.65 -2.31 113.55 122.42 3gpw h SER 85 Ca 0.14 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.50 3gpw h SER 85 Cb 0.61 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.47 3gpw h SER 85 CO 0.04 0.50 0.53 0.03 -0.87 0.00 0.00 176.83 177.06 3gpw h ARG 86 N 0.84 0.97 -0.30 4.77 3.08 -1.36 0.52 114.38 122.89 3gpw h ARG 86 Ca 0.26 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.27 3gpw h ARG 86 Cb 0.01 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3gpw h ARG 86 CO -0.07 0.64 0.16 0.82 -1.07 0.00 0.00 179.97 180.45 3gpw h ILE 87 N 1.00 1.01 -0.29 2.04 1.08 -1.50 -0.74 117.51 120.11 3gpw h ILE 87 Ca 0.35 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.68 3gpw h ILE 87 Cb 0.07 0.65 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3gpw h ILE 87 CO -0.14 0.06 0.11 -0.07 -0.69 0.00 0.00 178.15 177.43 3gpw h LEU 88 N 0.33 0.40 -0.30 1.44 3.38 -1.35 -2.27 115.31 116.94 3gpw h LEU 88 Ca 0.12 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3gpw h LEU 88 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3gpw h LEU 88 CO -0.07 0.46 0.11 0.40 0.09 0.00 0.00 178.44 179.43 3gpw h ILE 89 N 0.31 0.92 -0.02 1.22 2.04 -0.62 -0.07 117.51 121.29 3gpw h ILE 89 Ca 0.10 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3gpw h ILE 89 Cb 0.19 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3gpw h ILE 89 CO -0.01 0.04 -0.06 -0.08 0.00 0.00 0.00 178.15 178.05 3gpw h GLU 90 N 0.24 -0.09 -0.63 2.37 4.57 -1.05 -0.00 114.58 119.99 3gpw h GLU 90 Ca 0.13 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3gpw h GLU 90 Cb 0.10 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3gpw h GLU 90 CO -0.14 -0.06 0.42 0.87 -1.18 0.00 0.00 179.01 178.92 3gpw h LYS 91 N -0.09 0.75 -0.39 1.92 1.57 -1.13 -0.30 116.57 118.89 3gpw h LYS 91 Ca 0.03 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3gpw h LYS 91 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3gpw h LYS 91 CO -0.07 0.50 -0.16 0.00 -0.57 0.00 0.00 179.45 179.14 3gpw h ALA 92 N 1.63 0.55 -0.54 3.86 0.00 -0.47 -0.72 119.26 123.57 3gpw h ALA 92 Ca 0.25 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3gpw h ALA 92 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3gpw h ALA 92 CO -0.06 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.63 3gpw h ARG 93 N 0.61 0.94 -0.18 0.00 3.08 -0.35 -1.37 114.38 117.09 3gpw h ARG 93 Ca 0.09 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3gpw h ARG 93 Cb 0.70 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3gpw h ARG 93 CO 0.05 0.95 0.01 0.28 -1.07 0.00 0.00 179.97 180.19 3gpw h VAL 94 N 0.86 1.24 0.00 2.04 2.07 -0.96 -2.73 116.25 118.76 3gpw h VAL 94 Ca 0.15 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3gpw h VAL 94 Cb 0.55 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3gpw h VAL 94 CO 0.03 0.24 -0.09 -0.08 0.02 0.00 0.00 177.57 177.70 3gpw h GLU 95 N 0.08 0.00 -0.34 1.57 4.57 -0.94 -1.68 114.58 117.84 3gpw h GLU 95 Ca 0.05 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.13 3gpw h GLU 95 Cb 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3gpw h GLU 95 CO 0.01 0.09 -0.19 0.00 -1.18 0.00 0.00 179.01 177.73 3gpw h ALA 96 N 1.91 0.48 -0.28 2.92 0.00 -0.96 -1.88 119.26 121.46 3gpw h ALA 96 Ca -0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 3gpw h ALA 96 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3gpw h ALA 96 CO 0.01 0.42 -0.58 1.96 0.00 0.00 0.00 179.25 181.07 3gpw h GLN 97 N 0.51 0.88 -0.86 0.00 1.08 -1.21 -2.67 115.11 112.83 3gpw h GLN 97 Ca 0.07 -0.58 0.01 0.00 -1.45 0.00 0.00 58.65 56.71 3gpw h GLN 97 Cb 0.74 0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 28.20 3gpw h GLN 97 CO 0.06 1.21 0.57 1.03 -0.95 0.00 0.00 178.83 180.74 3gpw h SER 98 N 0.66 0.98 -0.33 1.46 0.87 -1.30 0.11 113.55 115.99 3gpw h SER 98 Ca 0.01 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3gpw h SER 98 Cb 1.19 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 3gpw h SER 98 CO 0.13 0.71 0.15 -0.74 -0.53 0.00 0.00 176.83 176.55 3gpw h HIS 99 N 1.16 0.49 -0.81 2.24 -0.00 -1.29 -1.29 115.15 115.65 3gpw h HIS 99 Ca 0.32 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.63 3gpw h HIS 99 Cb -0.13 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.10 3gpw h HIS 99 CO -0.01 0.44 0.40 0.00 -0.00 0.00 0.00 177.93 178.75 3gpw h ARG 100 N 0.40 1.15 -0.44 5.26 3.08 -1.10 0.13 114.38 122.86 3gpw h ARG 100 Ca 0.11 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3gpw h ARG 100 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3gpw h ARG 100 CO -0.01 0.87 -0.13 1.25 -1.07 0.00 0.00 179.97 180.88 3gpw h LEU 101 N 1.14 0.80 0.01 3.04 5.85 -0.64 -1.25 115.31 124.26 3gpw h LEU 101 Ca 0.28 -0.25 -0.35 0.00 0.84 0.00 0.00 57.88 58.39 3gpw h LEU 101 Cb 0.10 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3gpw h LEU 101 CO -0.04 0.95 -2.19 0.35 -0.34 0.00 0.00 178.44 177.17 3gpw n THR 102 N -4.15 1.50 0.87 1.05 -2.24 -0.52 -4.44 114.28 106.35 3gpw n THR 102 Ca 0.01 -0.79 0.10 0.00 -2.27 0.00 0.00 64.05 61.11 3gpw n THR 102 Cb 0.38 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.67 3gpw n THR 102 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gpw n LEU 103 N -2.96 0.83 -3.58 3.22 7.99 0.42 -4.98 117.00 117.94 3gpw n LEU 103 Ca -0.30 -0.38 -0.20 0.00 -0.01 0.00 0.00 56.01 55.11 3gpw n LEU 103 Cb 1.10 -0.02 0.07 0.00 -0.11 0.00 0.00 43.42 44.45 3gpw n LEU 103 CO 0.41 0.20 0.08 -0.62 -1.51 0.00 0.00 177.39 175.95 3gpw n GLU 104 N -1.61 -6.21 -3.64 3.23 1.02 -0.47 -4.99 120.64 107.96 3gpw n GLU 104 Ca 0.03 0.76 -0.04 0.00 -0.02 0.00 0.00 57.16 57.88 3gpw n GLU 104 Cb 0.36 -5.63 -0.07 0.00 -0.02 0.00 0.00 31.44 26.09 3gpw n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3gpw s ASP 105 N -4.12 -0.34 0.84 1.62 3.68 -1.24 -5.05 116.67 112.06 3gpw s ASP 105 Ca 0.14 0.60 -0.10 0.00 2.13 0.00 0.00 52.55 55.32 3gpw s ASP 105 Cb -0.07 0.85 0.10 0.00 -1.45 0.00 0.00 42.92 42.35 3gpw s ASP 105 CO 0.76 -0.10 1.11 -2.16 0.13 0.00 0.00 175.17 174.91 3gpw s PRO 106 N 0.65 1.66 0.57 4.34 0.04 -1.26 -3.74 135.00 137.26 3gpw s PRO 106 Ca -0.01 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.11 3gpw s PRO 106 Cb -0.04 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 3gpw s PRO 106 CO -0.11 -2.10 1.17 0.14 0.04 0.00 0.00 177.00 176.14 3gpw s VAL 107 N -2.80 2.86 0.71 -0.36 -7.23 -1.26 -4.76 120.40 107.56 3gpw s VAL 107 Ca 0.63 0.53 -0.11 0.00 -1.81 0.00 0.00 61.98 61.22 3gpw s VAL 107 Cb -0.19 -3.21 0.02 0.00 0.56 0.00 0.00 36.38 33.56 3gpw s VAL 107 CO 0.57 -0.12 1.09 0.42 -0.31 0.00 0.00 175.10 176.76 3gpw s THR 108 N -1.68 3.32 0.23 5.32 -4.23 -1.26 -4.56 115.64 112.78 3gpw s THR 108 Ca 0.75 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 61.67 3gpw s THR 108 Cb -0.27 -3.42 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 3gpw s THR 108 CO 0.31 -0.54 1.57 0.58 -0.54 0.00 0.00 174.62 175.99 3gpw h VAL 109 N -0.67 1.34 -0.52 2.29 2.07 -1.92 -2.50 116.25 116.33 3gpw h VAL 109 Ca -0.45 -1.77 -0.12 0.00 0.82 0.00 0.00 66.70 65.18 3gpw h VAL 109 Cb 1.26 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 3gpw h VAL 109 CO 0.64 0.54 -0.15 -0.08 0.02 0.00 0.00 177.57 178.53 3gpw h GLU 110 N 0.31 1.02 0.47 1.57 4.22 -1.96 -1.70 114.58 118.50 3gpw h GLU 110 Ca 0.01 -0.40 -0.02 0.00 0.08 0.00 0.00 59.36 59.02 3gpw h GLU 110 Cb 1.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3gpw h GLU 110 CO 0.09 1.09 -0.22 -0.92 -2.18 0.00 0.00 179.01 176.86 3gpw h TYR 111 N 0.89 -0.58 -0.92 0.92 3.20 -1.91 0.23 116.97 118.79 3gpw h TYR 111 Ca 0.13 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.10 3gpw h TYR 111 Cb 0.73 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 3gpw h TYR 111 CO 0.05 -0.33 0.59 1.25 -1.64 0.00 0.00 178.16 178.08 3gpw h LEU 112 N -0.69 0.79 -0.07 2.82 7.12 -1.44 -0.42 115.31 123.43 3gpw h LEU 112 Ca -0.06 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.96 3gpw h LEU 112 Cb 0.51 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 40.51 3gpw h LEU 112 CO 0.11 0.43 -0.04 0.74 -0.13 0.00 0.00 178.44 179.55 3gpw h THR 113 N 0.85 1.33 -0.10 1.05 2.02 -0.98 -2.17 112.91 114.91 3gpw h THR 113 Ca 0.45 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.59 3gpw h THR 113 Cb 0.53 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3gpw h THR 113 CO -0.21 0.29 0.08 -0.09 0.37 0.00 0.00 175.52 175.96 3gpw h ARG 114 N -0.25 0.00 0.33 6.66 2.43 0.26 -0.32 114.38 123.49 3gpw h ARG 114 Ca 0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3gpw h ARG 114 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3gpw h ARG 114 CO 0.01 0.00 -0.16 -0.92 -1.51 0.00 0.00 179.97 177.39 3gpw h TYR 115 N 0.00 -0.42 -0.61 2.20 3.20 -0.87 -1.77 116.97 118.71 3gpw h TYR 115 Ca 0.05 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.00 3gpw h TYR 115 Cb 0.20 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.53 3gpw h TYR 115 CO 0.00 -0.08 0.22 0.28 -1.64 0.00 0.00 178.16 176.93 3gpw h VAL 116 N -0.94 0.75 -0.96 1.81 2.07 -0.95 -0.81 116.25 117.23 3gpw h VAL 116 Ca -0.05 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3gpw h VAL 116 Cb 0.52 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3gpw h VAL 116 CO 0.08 0.07 0.62 0.00 0.02 0.00 0.00 177.57 178.36 3gpw h ALA 117 N 1.43 1.28 -0.76 1.67 0.00 -1.10 -1.66 119.26 120.12 3gpw h ALA 117 Ca 0.31 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3gpw h ALA 117 Cb 0.39 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3gpw h ALA 117 CO -0.32 0.48 0.38 0.78 0.00 0.00 0.00 179.25 180.57 3gpw h GLY 118 N 1.19 1.16 0.98 0.00 0.00 -0.24 0.20 103.07 106.36 3gpw h GLY 118 Ca 0.39 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3gpw h GLY 118 CO -0.14 0.54 0.27 -2.08 0.00 0.00 0.00 176.54 175.13 3gpw h VAL 119 N 1.07 1.17 0.04 4.60 2.07 -0.78 -0.37 116.25 124.04 3gpw h VAL 119 Ca 0.26 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3gpw h VAL 119 Cb 0.10 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3gpw h VAL 119 CO -0.04 0.18 -0.02 1.56 0.02 0.00 0.00 177.57 179.27 3gpw h GLN 120 N 0.64 -0.05 -0.48 1.57 4.20 -0.77 -2.31 115.11 117.91 3gpw h GLN 120 Ca 0.17 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.96 3gpw h GLN 120 Cb 0.04 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 3gpw h GLN 120 CO -0.03 0.11 0.12 0.37 -0.67 0.00 0.00 178.83 178.73 3gpw h GLN 121 N -0.20 0.26 -0.97 1.46 -0.00 -0.43 -1.78 115.11 113.44 3gpw h GLN 121 Ca -0.01 -0.02 0.13 0.00 -0.00 0.00 0.00 58.65 58.76 3gpw h GLN 121 Cb 0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 27.48 27.52 3gpw h GLN 121 CO 0.01 0.17 0.60 -0.09 0.00 0.00 0.00 178.83 179.51 3gpw h ARG 122 N 0.26 0.87 0.00 1.69 2.43 -0.87 0.14 114.38 118.90 3gpw h ARG 122 Ca 0.24 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3gpw h ARG 122 Cb 0.30 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3gpw h ARG 122 CO -0.29 0.58 0.00 0.66 -1.51 0.00 0.00 179.97 179.41 3gpw n TYR 123 N -4.68 0.00 1.01 2.20 4.02 -0.68 -2.17 117.16 116.87 3gpw n TYR 123 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.19 3gpw n TYR 123 Cb 0.40 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.62 3gpw n TYR 123 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3gpw n THR 124 N -1.08 0.00 -2.72 -0.72 -2.24 0.47 -3.61 114.28 104.39 3gpw n THR 124 Ca 0.13 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 3gpw n THR 124 Cb 0.09 1.06 0.06 0.00 -2.10 0.00 0.00 70.33 69.44 3gpw n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gpw n GLN 125 N -0.70 1.35 -4.71 -0.78 10.64 -0.92 -4.70 117.38 117.55 3gpw n GLN 125 Ca 0.07 -2.86 -0.24 0.00 -1.83 0.00 0.00 57.00 52.14 3gpw n GLN 125 Cb 0.40 -0.96 -0.15 0.00 -0.86 0.00 0.00 30.24 28.67 3gpw n GLN 125 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 3gpw s SER 126 N -2.79 2.02 0.64 2.61 0.01 -1.18 -5.05 113.70 109.97 3gpw s SER 126 Ca 0.24 -0.36 -0.16 0.00 1.31 0.00 0.00 55.95 56.98 3gpw s SER 126 Cb 0.41 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 3gpw s SER 126 CO -0.02 0.18 1.11 -0.83 0.41 0.00 0.00 173.24 174.08 3gpw s GLY 127 N -0.63 2.23 0.00 3.44 0.00 -1.26 -3.76 107.32 107.33 3gpw s GLY 127 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3gpw s GLY 127 CO 0.00 0.94 0.00 0.61 0.00 0.00 0.00 173.10 174.65 3gpw n GLY 128 N -0.43 0.28 3.04 0.20 0.00 0.93 -4.71 105.19 104.49 3gpw n GLY 128 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3gpw n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 129 N -1.64 0.60 0.22 1.61 -7.23 -1.25 -4.92 120.40 107.80 3gpw s VAL 129 Ca 0.00 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 3gpw s VAL 129 Cb 0.00 -0.60 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 3gpw s VAL 129 CO 0.00 -0.15 0.39 0.00 -0.31 0.00 0.00 175.10 175.03 3gpw s ARG 130 N -1.02 3.48 0.94 4.82 1.70 -1.26 -4.62 118.95 122.98 3gpw s ARG 130 Ca -0.04 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 3gpw s ARG 130 Cb -0.07 -2.85 0.15 0.00 -0.57 0.00 0.00 34.95 31.61 3gpw s ARG 130 CO 0.00 0.39 1.09 -2.14 -1.08 0.00 0.00 175.30 173.57 3gpw s PRO 131 N -3.62 0.89 0.05 3.89 0.02 -1.24 -4.89 135.00 130.11 3gpw s PRO 131 Ca 0.37 0.92 -0.30 0.00 0.02 0.00 0.00 61.00 62.00 3gpw s PRO 131 Cb -0.10 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 3gpw s PRO 131 CO 0.30 -2.52 1.14 -0.06 -0.33 0.00 0.00 177.00 175.52 3gpw s PHE 132 N -2.82 3.51 -1.07 6.54 0.40 -1.26 -4.91 117.98 118.36 3gpw s PHE 132 Ca 0.65 1.42 -0.06 0.00 -0.60 0.00 0.00 56.93 58.34 3gpw s PHE 132 Cb -0.20 -3.33 0.03 0.00 0.51 0.00 0.00 43.02 40.03 3gpw s PHE 132 CO 0.58 -0.91 2.70 0.41 0.70 0.00 0.00 175.22 178.70 3gpw n GLY 133 N 3.07 4.64 3.12 4.36 0.00 -1.26 -4.48 105.19 114.63 3gpw n GLY 133 Ca 0.08 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 3gpw n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 134 N -0.54 0.10 -0.00 1.61 1.01 -1.26 -0.40 120.40 120.91 3gpw s VAL 134 Ca 0.59 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3gpw s VAL 134 Cb 0.24 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 3gpw s VAL 134 CO -0.11 -0.44 -0.08 -0.44 0.00 0.00 0.00 175.10 174.03 3gpw s SER 135 N -1.62 0.94 0.15 3.32 0.01 -0.96 -2.85 113.70 112.69 3gpw s SER 135 Ca -0.12 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.03 3gpw s SER 135 Cb -0.06 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 3gpw s SER 135 CO -0.00 0.07 -0.14 0.42 0.41 0.00 0.00 173.24 174.00 3gpw s THR 136 N -0.29 1.50 -0.13 1.44 -4.23 0.15 -1.90 115.64 112.18 3gpw s THR 136 Ca 0.02 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 3gpw s THR 136 Cb -0.04 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.05 3gpw s THR 136 CO -0.00 -0.49 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.62 3gpw s LEU 137 N -2.81 2.05 -0.15 4.79 1.43 -0.61 -0.38 118.68 123.00 3gpw s LEU 137 Ca 0.15 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3gpw s LEU 137 Cb -0.03 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3gpw s LEU 137 CO 0.04 0.09 -0.19 -0.63 0.23 0.00 0.00 176.35 175.89 3gpw s ILE 138 N 0.74 1.87 0.08 -0.59 1.01 0.44 -1.40 121.20 123.35 3gpw s ILE 138 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3gpw s ILE 138 Cb -0.16 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3gpw s ILE 138 CO 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 174.94 175.36 3gpw s ALA 139 N 1.10 0.96 0.00 9.38 0.00 -0.74 -0.61 121.76 131.86 3gpw s ALA 139 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.88 3gpw s ALA 139 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3gpw s ALA 139 CO -0.07 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.07 3gpw n GLY 140 N 0.82 -0.94 2.94 0.00 0.00 -0.97 -0.91 105.19 106.12 3gpw n GLY 140 Ca -0.18 -1.07 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 3gpw n GLY 140 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gpw s PHE 141 N -3.00 1.37 0.52 1.61 0.08 -1.12 -1.77 117.98 115.68 3gpw s PHE 141 Ca 0.00 -0.59 -0.21 0.00 0.12 0.00 0.00 56.93 56.25 3gpw s PHE 141 Cb 0.00 -1.10 -0.08 0.00 -0.57 0.00 0.00 43.02 41.27 3gpw s PHE 141 CO 0.00 -0.39 0.93 -0.25 -0.10 0.00 0.00 175.22 175.41 3gpw n ASP 142 N 4.45 0.74 -4.61 1.36 9.92 -1.26 -4.81 116.55 122.34 3gpw n ASP 142 Ca -0.17 0.89 -0.48 0.00 -0.53 0.00 0.00 54.79 54.50 3gpw n ASP 142 Cb 0.51 -1.35 -0.04 0.00 -0.64 0.00 0.00 41.12 39.60 3gpw n ASP 142 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3gpw n PRO 143 N -0.40 1.47 -1.30 -0.24 -0.02 -1.26 -1.14 135.00 132.11 3gpw n PRO 143 Ca 0.11 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3gpw n PRO 143 Cb 0.44 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 3gpw n PRO 143 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gpw n ARG 14 N 2.04 -1.67 -4.35 -0.52 1.74 -1.26 -4.97 116.66 107.67 3gpw n ARG 14 Ca 0.15 0.86 -0.29 0.00 -0.77 0.00 0.00 57.85 57.80 3gpw n ARG 14 Cb 0.26 -5.27 -0.12 0.00 -1.02 0.00 0.00 32.46 26.31 3gpw n ARG 14 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3gpw s ASP 144 N -2.41 3.62 0.00 0.55 3.68 -0.29 -5.04 116.67 116.79 3gpw s ASP 144 Ca 0.00 -0.64 0.10 0.00 2.13 0.00 0.00 52.55 54.14 3gpw s ASP 144 Cb 0.00 -0.39 -0.06 0.00 -1.45 0.00 0.00 42.92 41.02 3gpw s ASP 144 CO 0.00 0.18 0.55 -0.90 0.13 0.00 0.00 175.17 175.13 3gpw n ASP 14 N 0.87 0.88 -4.67 -0.34 3.85 -1.26 -4.47 116.55 111.41 3gpw n ASP 14 Ca -0.17 -0.94 -0.43 0.00 -0.71 0.00 0.00 54.79 52.55 3gpw n ASP 14 Cb 0.53 0.73 -0.02 0.00 -1.35 0.00 0.00 41.12 41.00 3gpw n ASP 14 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 3gpw s GLU 145 N -1.68 4.25 0.49 0.11 2.12 -1.26 -4.80 118.70 117.94 3gpw s GLU 145 Ca 0.06 1.79 -0.22 0.00 0.36 0.00 0.00 54.97 56.96 3gpw s GLU 145 Cb 0.08 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.68 3gpw s GLU 145 CO 0.34 -0.66 1.24 -1.25 -0.54 0.00 0.00 175.26 174.39 3gpw s PRO 146 N 3.17 3.51 -0.03 4.30 0.04 -1.26 -4.57 135.00 140.16 3gpw s PRO 146 Ca 0.59 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.62 3gpw s PRO 146 Cb -0.25 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 3gpw s PRO 146 CO 0.20 -0.80 -0.16 0.15 0.04 0.00 0.00 177.00 176.42 3gpw s LYS 147 N -2.79 1.62 -0.06 4.56 -0.14 -0.73 -5.03 119.74 117.18 3gpw s LYS 147 Ca 0.67 -0.58 -0.03 0.00 -1.36 0.00 0.00 55.97 54.67 3gpw s LYS 147 Cb -0.33 -1.44 0.04 0.00 -1.68 0.00 0.00 37.83 34.42 3gpw s LYS 147 CO 0.39 0.26 0.11 -1.17 -0.76 0.00 0.00 175.35 174.18 3gpw s LEU 148 N -0.04 0.11 0.20 3.17 2.96 -1.26 -2.30 118.68 121.52 3gpw s LEU 148 Ca -0.01 0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3gpw s LEU 148 Cb -0.10 0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.63 3gpw s LEU 148 CO 0.01 -0.24 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.39 3gpw s TYR 149 N 2.13 1.56 -0.00 5.38 2.02 0.22 -1.37 117.35 127.28 3gpw s TYR 149 Ca 0.03 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.04 3gpw s TYR 149 Cb -0.12 -0.79 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 3gpw s TYR 149 CO -0.04 0.20 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.98 3gpw s GLN 150 N -3.72 0.17 0.15 -0.62 0.74 -0.48 -0.42 119.66 115.48 3gpw s GLN 150 Ca 0.22 -0.06 0.07 0.00 0.05 0.00 0.00 55.36 55.63 3gpw s GLN 150 Cb 0.02 -0.18 -0.04 0.00 1.10 0.00 0.00 33.01 33.91 3gpw s GLN 150 CO 0.05 0.03 -0.15 0.95 -0.55 0.00 0.00 175.29 175.63 3gpw s THR 151 N 0.02 1.52 0.12 -0.34 -4.23 0.49 -2.50 115.64 110.71 3gpw s THR 151 Ca 0.00 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3gpw s THR 151 Cb -0.02 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 72.07 3gpw s THR 151 CO -0.00 -0.43 -0.01 -1.83 -0.54 0.00 0.00 174.62 171.81 3gpw s GLU 152 N -2.91 0.90 0.26 3.99 -1.05 -1.05 -0.68 118.70 118.17 3gpw s GLU 152 Ca 0.13 -1.40 0.02 0.00 -0.15 0.00 0.00 54.97 53.57 3gpw s GLU 152 Cb -0.04 -0.05 0.64 0.00 -0.44 0.00 0.00 34.13 34.24 3gpw s GLU 152 CO 0.04 -0.13 1.31 -2.30 0.95 0.00 0.00 175.26 175.14 3gpw n PRO 153 N -0.09 -0.07 0.05 -4.83 -0.02 -1.13 -0.09 135.00 128.82 3gpw n PRO 153 Ca -0.09 1.25 0.16 0.00 -2.02 0.00 0.00 63.50 62.80 3gpw n PRO 153 Cb 0.62 -1.99 0.65 0.00 -0.02 0.00 0.00 33.50 32.76 3gpw n PRO 153 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gpw h SER 154 N 0.00 0.05 0.00 2.55 4.64 -1.89 -3.38 113.55 115.52 3gpw h SER 154 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3gpw h SER 154 Cb 1.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3gpw h SER 154 CO -0.79 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 175.82 3gpw n GLY 155 N -1.60 0.80 3.79 -0.77 0.00 0.88 -4.05 105.19 104.23 3gpw n GLY 155 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3gpw n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpw s ILE 156 N -2.00 4.05 0.12 -0.61 1.01 -1.25 -4.62 121.20 117.90 3gpw s ILE 156 Ca 0.00 1.58 -0.12 0.00 0.00 0.00 0.00 60.65 62.12 3gpw s ILE 156 Cb 0.00 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.66 3gpw s ILE 156 CO 0.00 0.02 0.30 -0.72 0.00 0.00 0.00 174.94 174.54 3gpw s TYR 157 N -1.72 0.07 0.04 3.97 1.13 -1.26 -2.53 117.35 117.05 3gpw s TYR 157 Ca 0.55 -0.44 -0.28 0.00 -1.41 0.00 0.00 57.07 55.48 3gpw s TYR 157 Cb -0.18 0.08 0.10 0.00 -1.10 0.00 0.00 41.96 40.85 3gpw s TYR 157 CO 0.24 -0.66 1.12 -1.54 -2.51 0.00 0.00 175.55 172.19 3gpw s SER 158 N -2.87 -0.14 0.07 -0.18 1.04 -1.04 -5.00 113.70 105.59 3gpw s SER 158 Ca 0.07 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3gpw s SER 158 Cb 0.03 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3gpw s SER 158 CO -0.08 -0.56 0.20 -0.94 0.98 0.00 0.00 173.24 172.84 3gpw s SER 159 N -2.86 6.26 0.08 7.02 1.04 -1.26 -1.38 113.70 122.61 3gpw s SER 159 Ca 0.12 0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.83 3gpw s SER 159 Cb 0.01 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 3gpw s SER 159 CO -0.02 0.16 -0.13 0.26 0.98 0.00 0.00 173.24 174.49 3gpw s TRP 160 N -1.52 1.18 0.15 5.02 0.52 -0.47 -4.98 118.94 118.83 3gpw s TRP 160 Ca 0.34 -0.52 -0.02 0.00 0.02 0.00 0.00 56.10 55.92 3gpw s TRP 160 Cb -0.13 -0.65 -0.04 0.00 -1.15 0.00 0.00 33.47 31.50 3gpw s TRP 160 CO 0.27 0.05 1.35 0.77 0.02 0.00 0.00 176.95 179.41 3gpw h SER 161 N 4.01 0.45 -4.55 2.95 0.02 -1.93 -3.40 113.55 111.09 3gpw h SER 161 Ca -0.40 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.19 3gpw h SER 161 Cb 1.19 -0.14 -0.21 0.00 0.14 0.00 0.00 62.40 63.39 3gpw h SER 161 CO 0.45 1.14 0.31 0.00 -1.14 0.00 0.00 176.83 177.59 3gpw s ALA 162 N -3.32 -1.83 0.09 3.77 0.00 -1.26 -1.55 121.76 117.66 3gpw s ALA 162 Ca -0.05 1.49 -0.25 0.00 0.00 0.00 0.00 51.96 53.15 3gpw s ALA 162 Cb 0.09 -0.39 0.08 0.00 0.00 0.00 0.00 23.12 22.91 3gpw s ALA 162 CO 0.85 -0.34 0.71 -1.14 0.00 0.00 0.00 175.76 175.84 3gpw s GLN 163 N -0.96 1.10 0.04 0.00 2.00 0.08 -4.99 119.66 116.92 3gpw s GLN 163 Ca -0.07 -0.38 -0.02 0.00 -2.00 0.00 0.00 55.36 52.90 3gpw s GLN 163 Cb -0.01 0.51 -0.03 0.00 0.80 0.00 0.00 33.01 34.28 3gpw s GLN 163 CO 0.06 -0.48 -0.00 -0.08 -0.50 0.00 0.00 175.29 174.29 3gpw s THR 164 N -3.41 0.17 0.07 -0.34 -1.32 -1.26 -0.66 115.64 108.89 3gpw s THR 164 Ca 0.02 -1.36 -0.07 0.00 -1.21 0.00 0.00 61.69 59.06 3gpw s THR 164 Cb -0.01 -0.98 -0.01 0.00 -1.51 0.00 0.00 72.50 69.99 3gpw s THR 164 CO -0.11 -0.75 0.14 0.27 -2.21 0.00 0.00 174.62 171.96 3gpw s ILE 165 N -2.86 0.15 0.00 5.08 -4.36 0.50 -4.97 121.20 114.74 3gpw s ILE 165 Ca -0.03 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 3gpw s ILE 165 Cb 0.00 -1.29 0.00 0.00 1.25 0.00 0.00 42.46 42.43 3gpw s ILE 165 CO -0.06 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.04 3gpw n GLY 166 N 0.13 -1.69 3.77 6.27 0.00 -1.26 -0.47 105.19 111.93 3gpw n GLY 166 Ca -0.16 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 3gpw n GLY 166 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gpw s ARG 167 N -0.17 4.15 -1.83 1.61 1.70 -0.15 -2.06 118.95 122.19 3gpw s ARG 167 Ca 0.00 2.52 0.00 0.00 -0.47 0.00 0.00 55.73 57.78 3gpw s ARG 167 Cb 0.00 -3.00 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 3gpw s ARG 167 CO 0.00 -0.53 0.00 0.09 -1.08 0.00 0.00 175.30 173.78 3gpw n ASN 168 N 1.17 -5.21 0.22 -2.89 5.03 -1.26 -4.37 115.26 107.96 3gpw n ASN 168 Ca 0.04 0.33 0.10 0.00 0.87 0.00 0.00 54.58 55.91 3gpw n ASN 168 Cb 0.39 -4.30 0.43 0.00 -1.02 0.00 0.00 39.78 35.29 3gpw n ASN 168 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3gpw h SER 169 N 0.00 0.00 -0.03 6.41 4.64 -1.72 -2.67 113.55 120.19 3gpw h SER 169 Ca -0.39 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3gpw h SER 169 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3gpw h SER 169 CO 0.53 0.23 -0.03 0.50 -0.87 0.00 0.00 176.83 177.20 3gpw h LYS 170 N 0.00 -0.03 0.31 4.77 1.63 -1.88 0.80 116.57 122.17 3gpw h LYS 170 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3gpw h LYS 170 Cb 0.78 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 3gpw h LYS 170 CO 0.03 -0.02 -0.24 1.15 -3.45 0.00 0.00 179.45 176.92 3gpw h THR 171 N -0.04 0.00 -0.22 1.00 2.02 -1.88 -2.77 112.91 111.02 3gpw h THR 171 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.27 3gpw h THR 171 Cb 0.07 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3gpw h THR 171 CO -0.05 0.00 0.16 1.62 0.37 0.00 0.00 175.52 177.62 3gpw h VAL 172 N -0.53 0.87 -0.50 3.16 3.04 -1.48 -1.35 116.25 119.47 3gpw h VAL 172 Ca -0.04 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 3gpw h VAL 172 Cb 0.44 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 30.59 3gpw h VAL 172 CO 0.01 0.00 0.05 -0.09 -1.01 0.00 0.00 177.57 176.53 3gpw h ARG 173 N 0.00 0.86 -0.37 4.17 2.43 -0.74 -1.46 114.38 119.26 3gpw h ARG 173 Ca 0.11 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3gpw h ARG 173 Cb 0.43 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3gpw h ARG 173 CO -0.00 0.86 0.15 0.93 -1.51 0.00 0.00 179.97 180.40 3gpw h GLU 174 N 0.73 0.30 -0.28 0.20 3.07 -0.97 0.27 114.58 117.90 3gpw h GLU 174 Ca 0.15 -0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.06 3gpw h GLU 174 Cb 0.45 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.22 3gpw h GLU 174 CO 0.02 0.20 -0.16 0.35 -1.40 0.00 0.00 179.01 178.01 3gpw h PHE 175 N 0.31 -0.41 -0.82 4.33 3.57 -1.07 -1.93 116.94 120.93 3gpw h PHE 175 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3gpw h PHE 175 Cb 0.13 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3gpw h PHE 175 CO -0.13 -0.24 0.35 -0.07 -2.23 0.00 0.00 178.31 175.99 3gpw h LEU 176 N -0.14 1.11 -2.13 0.59 3.38 -0.37 -2.02 115.31 115.73 3gpw h LEU 176 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gpw h LEU 176 Cb 0.36 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gpw h LEU 176 CO -0.37 0.96 -0.07 -0.33 0.09 0.00 0.00 178.44 178.73 3gpw h GLU 177 N 1.18 0.00 -0.10 1.13 5.08 0.24 0.08 114.58 122.19 3gpw h GLU 177 Ca 0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 3gpw h GLU 177 Cb 0.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3gpw h GLU 177 CO -0.03 0.07 -0.37 0.36 -1.00 0.00 0.00 179.01 178.04 3gpw n LYS 178 N -3.56 1.66 0.00 2.33 2.85 -0.82 -4.51 118.16 116.10 3gpw n LYS 178 Ca -0.02 -3.26 0.00 0.00 -1.05 0.00 0.00 58.31 53.98 3gpw n LYS 178 Cb 0.19 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.90 3gpw n LYS 178 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3gpw n ASN 179 N -1.13 0.00 -4.03 -5.58 3.02 -0.79 -5.01 115.26 101.74 3gpw n ASN 179 Ca 0.23 -1.00 -0.31 0.00 -0.03 0.00 0.00 54.58 53.47 3gpw n ASN 179 Cb 0.79 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.80 3gpw n ASN 179 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gpw s TYR 180 N 0.00 2.50 -0.29 3.10 6.14 -0.04 -4.97 117.35 123.78 3gpw s TYR 180 Ca 0.00 -1.58 -0.09 0.00 0.64 0.00 0.00 57.07 56.04 3gpw s TYR 180 Cb 0.00 -1.70 -0.01 0.00 0.42 0.00 0.00 41.96 40.67 3gpw s TYR 180 CO 0.00 -0.75 0.13 0.34 0.64 0.00 0.00 175.55 175.91 3gpw s ASP 18 N 1.37 5.42 0.58 4.32 3.68 -1.26 -4.90 116.67 125.88 3gpw s ASP 18 Ca 0.01 -0.45 0.36 0.00 2.13 0.00 0.00 52.55 54.60 3gpw s ASP 18 Cb -0.15 -1.97 1.74 0.00 -1.45 0.00 0.00 42.92 41.08 3gpw s ASP 18 CO -0.09 -0.15 2.13 0.03 0.13 0.00 0.00 175.17 177.22 3gpw h ARG 18 N 8.31 0.00 -0.48 4.34 3.08 -2.00 -2.33 114.38 125.30 3gpw h ARG 18 Ca -0.34 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 3gpw h ARG 18 Cb 1.15 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 3gpw h ARG 18 CO 0.60 0.03 -0.00 0.87 -1.07 0.00 0.00 179.97 180.40 3gpw h LYS 18 N 0.00 0.85 -2.43 0.04 1.79 -2.06 -3.37 116.57 111.40 3gpw h LYS 18 Ca -0.00 -0.27 -0.59 0.00 -2.18 0.00 0.00 60.65 57.61 3gpw h LYS 18 Cb 0.32 -0.08 -0.39 0.00 -1.58 0.00 0.00 32.23 30.50 3gpw h LYS 18 CO 0.00 0.90 -0.91 -1.91 -1.08 0.00 0.00 179.45 176.45 3gpw n GLU 18 N -4.34 0.63 -1.90 3.15 2.13 -0.89 -5.12 120.64 114.29 3gpw n GLU 18 Ca 0.01 -3.46 -0.37 0.00 0.66 0.00 0.00 57.16 53.99 3gpw n GLU 18 Cb 0.31 -1.73 0.04 0.00 0.27 0.00 0.00 31.44 30.33 3gpw n GLU 18 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3gpw s PRO 182 N -0.47 3.05 -0.55 5.31 0.02 -1.11 -4.67 135.00 136.57 3gpw s PRO 182 Ca 0.32 2.02 -0.05 0.00 0.02 0.00 0.00 61.00 63.32 3gpw s PRO 182 Cb 0.05 -2.10 -0.19 0.00 0.02 0.00 0.00 34.50 32.28 3gpw s PRO 182 CO -0.18 -1.20 1.53 -2.30 -0.33 0.00 0.00 177.00 174.53 3gpw n PRO 183 N -1.30 0.00 0.00 5.54 -0.02 -1.26 -4.36 135.00 133.60 3gpw n PRO 183 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3gpw n PRO 183 Cb 0.47 -0.89 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 3gpw n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gpw n ALA 184 N 4.57 1.30 -2.77 3.55 0.00 -1.26 -3.01 120.51 122.89 3gpw n ALA 184 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.72 3gpw n ALA 184 Cb 0.25 -0.87 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 3gpw n ALA 184 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gpw s THR 185 N -1.81 0.24 0.25 0.00 2.01 -1.26 -4.79 115.64 110.29 3gpw s THR 185 Ca 0.00 -1.14 -0.05 0.00 0.31 0.00 0.00 61.69 60.81 3gpw s THR 185 Cb 0.00 -0.61 0.20 0.00 0.01 0.00 0.00 72.50 72.10 3gpw s THR 185 CO 0.00 -0.58 1.86 0.58 -0.69 0.00 0.00 174.62 175.79 3gpw h VAL 186 N 4.29 1.24 0.60 3.82 2.07 -1.95 -0.96 116.25 125.37 3gpw h VAL 186 Ca -0.33 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3gpw h VAL 186 Cb 1.19 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3gpw h VAL 186 CO 0.46 0.28 -0.29 -0.08 0.02 0.00 0.00 177.57 177.97 3gpw h GLU 187 N 1.11 -0.78 0.00 1.57 4.81 -1.94 -1.06 114.58 118.29 3gpw h GLU 187 Ca 0.27 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3gpw h GLU 187 Cb 0.09 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3gpw h GLU 187 CO -0.04 -0.47 0.00 1.05 -0.73 0.00 0.00 179.01 178.83 3gpw h GLU 188 N -1.00 0.00 0.20 1.92 4.11 -1.89 -1.22 114.58 116.70 3gpw h GLU 188 Ca -0.08 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.08 3gpw h GLU 188 Cb 0.67 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.95 3gpw h GLU 188 CO 0.14 0.00 -1.19 0.00 0.07 0.00 0.00 179.01 178.02 3gpw h VAL 190 N -0.10 1.23 0.11 0.00 2.07 -0.73 -2.40 116.25 116.44 3gpw h VAL 190 Ca -0.21 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 3gpw h VAL 190 Cb 1.93 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 3gpw h VAL 190 CO 0.22 0.33 -0.06 0.50 0.02 0.00 0.00 177.57 178.58 3gpw h LYS 191 N 0.49 -0.15 -0.92 1.57 3.64 -1.28 -0.82 116.57 119.11 3gpw h LYS 191 Ca 0.09 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.61 3gpw h LYS 191 Cb 0.48 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 3gpw h LYS 191 CO 0.03 0.11 0.59 1.25 -2.27 0.00 0.00 179.45 179.16 3gpw h LEU 192 N -0.40 0.76 -0.25 5.20 5.85 -1.35 0.12 115.31 125.23 3gpw h LEU 192 Ca -0.02 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3gpw h LEU 192 Cb 0.33 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3gpw h LEU 192 CO 0.03 0.40 0.01 0.74 -0.34 0.00 0.00 178.44 179.28 3gpw h THR 193 N 0.81 1.25 -0.62 1.05 2.02 -1.11 -1.75 112.91 114.56 3gpw h THR 193 Ca 0.45 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3gpw h THR 193 Cb 0.59 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3gpw h THR 193 CO -0.22 0.27 0.24 0.58 0.37 0.00 0.00 175.52 176.76 3gpw h VAL 194 N 0.23 1.23 -0.65 3.16 2.07 -0.05 -2.44 116.25 119.79 3gpw h VAL 194 Ca 0.07 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3gpw h VAL 194 Cb 0.39 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3gpw h VAL 194 CO 0.01 0.29 0.36 0.03 0.02 0.00 0.00 177.57 178.28 3gpw h ARG 195 N 0.87 0.64 -0.32 1.57 3.08 -0.65 -0.95 114.38 118.61 3gpw h ARG 195 Ca 0.20 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 3gpw h ARG 195 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3gpw h ARG 195 CO -0.01 0.42 -0.00 0.66 -1.07 0.00 0.00 179.97 179.96 3gpw h SER 196 N 0.66 0.47 0.45 7.04 4.64 -1.00 -2.83 113.55 122.97 3gpw h SER 196 Ca 0.30 -0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 3gpw h SER 196 Cb 0.20 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gpw h SER 196 CO -0.19 0.54 -0.93 -0.07 -0.87 0.00 0.00 176.83 175.31 3gpw h LEU 197 N 0.48 0.41 -2.37 5.97 3.38 -0.88 -3.18 115.31 119.11 3gpw h LEU 197 Ca 0.10 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3gpw h LEU 197 Cb 0.32 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3gpw h LEU 197 CO 0.01 1.14 -0.04 -0.07 0.09 0.00 0.00 178.44 179.57 3gpw h LEU 198 N 0.17 0.00 -1.65 1.67 3.38 -0.95 0.62 115.31 118.56 3gpw h LEU 198 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gpw h LEU 198 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3gpw h LEU 198 CO 0.15 0.04 0.00 -0.33 0.09 0.00 0.00 178.44 178.39 3gpw h GLU 199 N 0.00 0.00 0.00 1.13 4.39 -1.52 -3.30 114.58 115.28 3gpw h GLU 199 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gpw h GLU 199 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3gpw h GLU 199 CO 0.00 0.00 -0.37 0.28 -1.16 0.00 0.00 179.01 177.77 3gpw n VAL 200 N -2.65 0.00 0.16 3.13 0.31 -0.05 -4.84 118.33 114.39 3gpw n VAL 200 Ca -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3gpw n VAL 200 Cb 0.15 0.05 0.24 0.00 -0.91 0.00 0.00 33.84 33.37 3gpw n VAL 200 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3gpw h VAL 201 N 0.00 1.03 -5.38 2.52 2.07 0.06 -3.49 116.25 113.07 3gpw h VAL 201 Ca 0.00 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 3gpw h VAL 201 Cb 0.09 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 3gpw h VAL 201 CO 0.00 0.47 -0.85 0.00 0.02 0.00 0.00 177.57 177.21 3gpw n GLN 202 N -3.53 -2.77 -3.04 1.57 1.13 -1.24 -4.47 117.38 105.03 3gpw n GLN 202 Ca -0.00 2.33 0.00 0.00 -1.94 0.00 0.00 57.00 57.39 3gpw n GLN 202 Cb 0.58 -4.91 0.00 0.00 0.11 0.00 0.00 30.24 26.02 3gpw n GLN 202 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3gpw n THR 203 N 0.38 -1.70 -3.11 5.09 -1.04 -1.26 -4.98 114.28 107.65 3gpw n THR 203 Ca 0.03 0.38 -0.18 0.00 -2.04 0.00 0.00 64.05 62.24 3gpw n THR 203 Cb 0.24 -2.76 -0.05 0.00 -1.82 0.00 0.00 70.33 65.94 3gpw n THR 203 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gpw n GLY 206 N 1.51 1.42 0.31 3.41 0.00 -1.26 -4.96 105.19 105.61 3gpw n GLY 206 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.21 3gpw n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw h ALA 207 N 4.82 1.01 -0.08 4.61 0.00 -1.94 -0.79 119.26 126.89 3gpw h ALA 207 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 207 Cb 0.96 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3gpw h ALA 207 CO 0.31 0.40 0.00 0.36 0.00 0.00 0.00 179.25 180.32 3gpw n LYS 208 N -4.55 1.75 -0.17 0.00 -0.00 -1.26 -3.65 118.16 110.28 3gpw n LYS 208 Ca 0.08 -1.11 0.07 0.00 -0.00 0.00 0.00 58.31 57.36 3gpw n LYS 208 Cb 0.03 -1.45 0.16 0.00 -0.00 0.00 0.00 35.03 33.77 3gpw n LYS 208 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3gpw n ASN 209 N 0.33 2.95 -3.80 -5.58 3.02 -0.39 -4.80 115.26 107.00 3gpw n ASN 209 Ca 0.18 -1.90 -0.26 0.00 -0.03 0.00 0.00 54.58 52.57 3gpw n ASN 209 Cb 0.37 -0.22 -0.17 0.00 -0.61 0.00 0.00 39.78 39.14 3gpw n ASN 209 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gpw s ILE 210 N -1.05 0.64 -0.01 2.41 1.01 -0.71 0.25 121.20 123.74 3gpw s ILE 210 Ca 0.27 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.67 3gpw s ILE 210 Cb 0.15 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 3gpw s ILE 210 CO 0.20 0.09 -0.17 -1.83 0.00 0.00 0.00 174.94 173.23 3gpw s GLU 211 N 1.84 2.29 0.03 2.79 -1.05 -0.96 -4.94 118.70 118.70 3gpw s GLU 211 Ca 0.02 -0.83 0.05 0.00 -0.15 0.00 0.00 54.97 54.06 3gpw s GLU 211 Cb -0.15 -2.27 -0.02 0.00 -0.44 0.00 0.00 34.13 31.26 3gpw s GLU 211 CO -0.07 0.58 -0.15 0.42 0.95 0.00 0.00 175.26 176.99 3gpw s ILE 212 N -0.79 1.21 -0.05 1.83 1.09 -1.26 -2.08 121.20 121.14 3gpw s ILE 212 Ca 0.13 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 58.72 3gpw s ILE 212 Cb -0.10 -1.08 0.01 0.00 -1.06 0.00 0.00 42.46 40.23 3gpw s ILE 212 CO 0.02 0.08 -0.12 -0.89 -0.10 0.00 0.00 174.94 173.93 3gpw s THR 213 N -0.77 1.08 -0.16 2.92 2.01 -0.70 -1.42 115.64 118.61 3gpw s THR 213 Ca 0.03 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 3gpw s THR 213 Cb -0.08 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.44 3gpw s THR 213 CO 0.01 0.33 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.54 3gpw s VAL 214 N 0.41 3.80 -0.17 3.82 1.01 0.86 -1.78 120.40 128.35 3gpw s VAL 214 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3gpw s VAL 214 Cb -0.13 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3gpw s VAL 214 CO 0.02 0.49 -0.18 0.54 0.00 0.00 0.00 175.10 175.97 3gpw s VAL 215 N 0.42 2.29 0.39 2.92 0.11 -0.59 -1.51 120.40 124.43 3gpw s VAL 215 Ca -0.04 -0.88 0.08 0.00 -2.93 0.00 0.00 61.98 58.21 3gpw s VAL 215 Cb -0.14 -1.96 -0.06 0.00 -1.53 0.00 0.00 36.38 32.69 3gpw s VAL 215 CO 0.03 0.53 0.10 -0.54 -3.33 0.00 0.00 175.10 171.89 3gpw s LYS 216 N 1.10 2.15 0.92 1.54 1.02 0.15 -1.80 119.74 124.83 3gpw s LYS 216 Ca 0.00 -1.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.03 3gpw s LYS 216 Cb -0.14 -1.92 0.10 0.00 -0.52 0.00 0.00 37.83 35.35 3gpw s LYS 216 CO -0.07 -0.02 0.87 -2.30 -0.92 0.00 0.00 175.35 172.91 3gpw n PRO 217 N -1.11 -0.35 -3.45 -1.68 -0.02 -1.26 -3.05 135.00 124.08 3gpw n PRO 217 Ca -0.03 -0.04 -0.19 0.00 -2.02 0.00 0.00 63.50 61.22 3gpw n PRO 217 Cb 0.64 -2.18 0.06 0.00 -0.02 0.00 0.00 33.50 32.00 3gpw n PRO 217 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gpw n ASP 218 N -3.06 -4.30 -2.34 2.55 10.43 -1.26 -3.16 116.55 115.41 3gpw n ASP 218 Ca 0.10 -0.76 -0.14 0.00 2.57 0.00 0.00 54.79 56.57 3gpw n ASP 218 Cb 0.52 -4.69 -0.01 0.00 1.84 0.00 0.00 41.12 38.79 3gpw n ASP 218 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3gpw n SER 219 N -3.09 -4.18 -4.39 -2.24 7.64 -1.26 -4.91 113.62 101.20 3gpw n SER 219 Ca -0.17 0.18 -0.45 0.00 1.01 0.00 0.00 58.87 59.44 3gpw n SER 219 Cb 0.64 -3.57 -0.04 0.00 -1.01 0.00 0.00 64.21 60.23 3gpw n SER 219 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gpw s ASP 220 N -2.04 6.28 -0.06 6.43 3.68 -1.17 -4.83 116.67 124.96 3gpw s ASP 220 Ca 0.00 -1.55 0.02 0.00 2.13 0.00 0.00 52.55 53.16 3gpw s ASP 220 Cb 0.00 -2.32 0.01 0.00 -1.45 0.00 0.00 42.92 39.16 3gpw s ASP 220 CO 0.00 -1.11 -0.11 -0.63 0.13 0.00 0.00 175.17 173.44 3gpw s ILE 221 N 2.69 1.04 -0.03 4.11 1.01 -1.26 0.34 121.20 129.09 3gpw s ILE 221 Ca 0.16 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 3gpw s ILE 221 Cb -0.20 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.34 3gpw s ILE 221 CO 0.04 0.33 0.24 0.54 0.00 0.00 0.00 174.94 176.09 3gpw s VAL 222 N 0.61 0.05 -0.12 2.92 0.11 -0.57 -5.01 120.40 118.38 3gpw s VAL 222 Ca -0.12 -0.41 -0.03 0.00 -2.93 0.00 0.00 61.98 58.48 3gpw s VAL 222 Cb -0.15 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 3gpw s VAL 222 CO 0.03 -0.23 -0.00 0.00 -3.33 0.00 0.00 175.10 171.57 3gpw s ALA 223 N -0.95 3.21 0.62 1.54 0.00 -1.26 -0.10 121.76 124.82 3gpw s ALA 223 Ca -0.10 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 3gpw s ALA 223 Cb -0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3gpw s ALA 223 CO 0.02 0.40 1.06 -0.51 0.00 0.00 0.00 175.76 176.73 3gpw s LEU 224 N -0.29 3.40 0.38 0.00 1.02 -0.50 -5.00 118.68 117.70 3gpw s LEU 224 Ca 0.06 1.76 0.03 0.00 0.02 0.00 0.00 54.13 55.99 3gpw s LEU 224 Cb -0.12 -4.52 -0.01 0.00 0.02 0.00 0.00 46.19 41.55 3gpw s LEU 224 CO 0.02 -1.23 0.57 -0.94 0.02 0.00 0.00 176.35 174.79 3gpw s SER 225 N -3.06 5.98 0.23 2.29 1.04 -1.26 -4.69 113.70 114.22 3gpw s SER 225 Ca 0.62 0.14 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 3gpw s SER 225 Cb -0.15 -1.53 0.29 0.00 0.10 0.00 0.00 66.02 64.73 3gpw s SER 225 CO 0.42 -0.51 1.61 0.28 0.98 0.00 0.00 173.24 176.01 3gpw h SER 226 N 0.66 -0.69 0.68 7.02 0.02 -1.93 -1.51 113.55 117.80 3gpw h SER 226 Ca -0.47 0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 3gpw h SER 226 Cb 1.25 0.45 -0.01 0.00 0.14 0.00 0.00 62.40 64.23 3gpw h SER 226 CO 0.57 -0.24 -0.45 -0.33 -1.14 0.00 0.00 176.83 175.23 3gpw h GLU 227 N -0.00 -1.04 -0.86 3.45 3.07 -1.94 0.75 114.58 118.00 3gpw h GLU 227 Ca 0.35 0.07 0.23 0.00 -0.50 0.00 0.00 59.36 59.50 3gpw h GLU 227 Cb 0.53 0.24 -0.14 0.00 -0.84 0.00 0.00 28.75 28.54 3gpw h GLU 227 CO -0.75 -0.69 0.21 0.93 -1.40 0.00 0.00 179.01 177.31 3gpw h GLU 228 N -1.08 0.19 -0.00 2.33 5.08 -1.78 0.59 114.58 119.92 3gpw h GLU 228 Ca -0.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3gpw h GLU 228 Cb 0.88 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gpw h GLU 228 CO 0.06 0.13 -0.00 0.82 -1.00 0.00 0.00 179.01 179.02 3gpw h ILE 229 N 0.20 1.51 -0.84 3.13 2.04 -1.00 -3.09 117.51 119.46 3gpw h ILE 229 Ca 0.53 -1.51 0.22 0.00 1.00 0.00 0.00 64.86 65.10 3gpw h ILE 229 Cb 1.06 2.54 -0.05 0.00 -0.74 0.00 0.00 36.82 39.63 3gpw h ILE 229 CO -0.65 0.39 0.58 -1.13 0.00 0.00 0.00 178.15 177.34 3gpw h ASN 230 N -0.64 0.18 -0.43 1.72 -1.24 0.22 0.52 115.58 115.92 3gpw h ASN 230 Ca -0.00 0.02 -0.09 0.00 0.71 0.00 0.00 56.30 56.93 3gpw h ASN 230 Cb 0.65 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 3gpw h ASN 230 CO 0.00 0.07 -0.07 1.56 -1.29 0.00 0.00 177.43 177.70 3gpw h GLN 231 N 0.18 0.88 -0.34 6.67 4.20 0.17 -1.86 115.11 125.01 3gpw h GLN 231 Ca 0.42 -0.28 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 3gpw h GLN 231 Cb 1.37 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 3gpw h GLN 231 CO -0.08 0.91 -0.12 1.88 -0.67 0.00 0.00 178.83 180.76 3gpw h TYR 232 N 0.80 0.77 0.04 2.96 -1.99 0.07 -2.43 116.97 117.18 3gpw h TYR 232 Ca 0.14 -0.18 0.02 0.00 2.00 0.00 0.00 58.73 60.71 3gpw h TYR 232 Cb 0.57 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.09 3gpw h TYR 232 CO 0.03 0.87 -0.19 0.28 -0.00 0.00 0.00 178.16 179.15 3gpw h VAL 233 N 0.46 0.56 -0.22 -2.88 2.07 -1.09 -1.97 116.25 113.19 3gpw h VAL 233 Ca 0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.66 3gpw h VAL 233 Cb 0.64 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 3gpw h VAL 233 CO 0.04 0.00 -0.29 0.74 0.02 0.00 0.00 177.57 178.08 3gpw h THR 234 N -0.32 0.32 0.00 2.57 2.02 -1.28 0.11 112.91 116.32 3gpw h THR 234 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 3gpw h THR 234 Cb 0.38 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3gpw h THR 234 CO -0.15 0.00 -0.00 -0.61 0.37 0.00 0.00 175.52 175.13 3gpw h GLN 235 N -0.31 0.00 0.15 6.66 4.15 -1.24 -2.57 115.11 121.95 3gpw h GLN 235 Ca 0.12 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.21 3gpw h GLN 235 Cb 0.51 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.20 3gpw h GLN 235 CO -0.40 0.00 -1.65 0.82 -1.93 0.00 0.00 178.83 175.68 3gpw h ILE 236 N 0.00 1.03 0.00 2.39 2.04 -0.07 -3.14 117.51 119.76 3gpw h ILE 236 Ca -0.00 -2.65 -0.02 0.00 1.00 0.00 0.00 64.86 63.19 3gpw h ILE 236 Cb 0.02 2.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3gpw h ILE 236 CO 0.00 0.83 -0.10 -0.33 0.00 0.00 0.00 178.15 178.55 3gpw h GLU 237 N 0.09 0.00 0.04 2.37 5.08 -0.74 -2.18 114.58 119.24 3gpw h GLU 237 Ca -0.30 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.79 3gpw h GLU 237 Cb 2.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.33 3gpw h GLU 237 CO 0.17 0.10 -1.10 1.96 -1.00 0.00 0.00 179.01 179.13 3gpw h GLN 238 N 0.00 0.66 -0.89 2.33 4.20 -1.59 -2.35 115.11 117.46 3gpw h GLN 238 Ca -0.00 -0.76 0.21 0.00 0.06 0.00 0.00 58.65 58.16 3gpw h GLN 238 Cb 0.40 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 3gpw h GLN 238 CO 0.01 1.33 0.60 0.93 -0.67 0.00 0.00 178.83 181.03 3gpw h GLU 239 N 0.35 0.32 0.08 1.46 4.39 -1.34 0.38 114.58 120.22 3gpw h GLU 239 Ca -0.14 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3gpw h GLU 239 Cb 1.76 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 3gpw h GLU 239 CO 0.21 0.21 -0.04 0.87 -1.16 0.00 0.00 179.01 179.10 3gpw h LYS 240 N 0.33 -0.11 -0.73 2.33 1.57 -1.47 -3.35 116.57 115.15 3gpw h LYS 240 Ca 0.46 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.35 3gpw h LYS 240 Cb 1.26 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 3gpw h LYS 240 CO -0.15 0.18 0.48 1.96 -0.57 0.00 0.00 179.45 181.36 3gpw h GLN 241 N -1.00 0.57 -2.02 3.15 4.20 -0.85 -2.27 115.11 116.90 3gpw h GLN 241 Ca -0.01 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3gpw h GLN 241 Cb 0.34 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3gpw h GLN 241 CO 0.02 0.38 0.00 0.39 -0.67 0.00 0.00 178.83 178.95 3gpw n GLU 242 N -4.49 0.57 0.00 1.46 1.02 0.13 -5.09 120.64 114.24 3gpw n GLU 242 Ca 0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3gpw n GLU 242 Cb 0.36 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 3gpw n GLU 242 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25