#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywr s PRO 6 N 0.00 -1.49 -0.23 -0.14 0.04 -1.26 -5.03 135.00 126.89 1ywr s PRO 6 Ca 0.00 -0.22 -0.12 0.00 0.04 0.00 0.00 61.00 60.70 1ywr s PRO 6 Cb 0.00 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.92 1ywr s PRO 6 CO 0.00 -3.86 0.24 0.95 0.04 0.00 0.00 177.00 174.37 1ywr s THR 7 N -3.07 5.31 0.56 1.26 -4.23 -1.26 -4.99 115.64 109.21 1ywr s THR 7 Ca 0.72 0.35 0.04 0.00 -1.18 0.00 0.00 61.69 61.62 1ywr s THR 7 Cb -0.07 -3.57 0.06 0.00 1.34 0.00 0.00 72.50 70.25 1ywr s THR 7 CO 0.56 0.31 0.77 -0.36 -0.54 0.00 0.00 174.62 175.36 1ywr s PHE 8 N 1.17 2.33 -0.03 3.99 0.40 -1.26 0.10 117.98 124.68 1ywr s PHE 8 Ca 0.11 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 1ywr s PHE 8 Cb -0.14 -2.61 0.01 0.00 0.51 0.00 0.00 43.02 40.79 1ywr s PHE 8 CO 0.06 -0.98 0.16 1.52 0.70 0.00 0.00 175.22 176.68 1ywr s TYR 9 N -2.72 -0.09 0.35 0.36 -0.85 0.09 -4.75 117.35 109.75 1ywr s TYR 9 Ca 0.59 0.20 0.04 0.00 -0.52 0.00 0.00 57.07 57.38 1ywr s TYR 9 Cb -0.08 0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 1ywr s TYR 9 CO 0.38 -0.19 0.52 0.50 -1.52 0.00 0.00 175.55 175.24 1ywr s ARG 10 N -0.60 3.17 -0.23 -3.49 3.52 -1.26 -2.80 118.95 117.26 1ywr s ARG 10 Ca -0.07 -0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 54.46 1ywr s ARG 10 Cb -0.04 -2.75 0.16 0.00 -1.56 0.00 0.00 34.95 30.76 1ywr s ARG 10 CO 0.01 0.03 1.19 -1.14 -0.81 0.00 0.00 175.30 174.57 1ywr s GLN 11 N -4.27 0.31 -0.16 5.12 0.74 -0.23 -4.96 119.66 116.22 1ywr s GLN 11 Ca 0.44 0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.90 1ywr s GLN 11 Cb -0.10 0.15 -0.02 0.00 1.10 0.00 0.00 33.01 34.14 1ywr s GLN 11 CO 0.33 -0.10 -0.05 -2.00 -0.55 0.00 0.00 175.29 172.93 1ywr s GLU 12 N -1.02 3.61 -0.21 1.67 2.12 -1.26 0.10 118.70 123.72 1ywr s GLU 12 Ca 0.04 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1ywr s GLU 12 Cb -0.01 -2.89 0.05 0.00 0.26 0.00 0.00 34.13 31.53 1ywr s GLU 12 CO -0.04 0.20 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.27 1ywr s LEU 13 N 0.47 2.39 -1.59 2.70 2.01 0.51 -4.73 118.68 120.43 1ywr s LEU 13 Ca -0.04 -0.96 -0.04 0.00 0.01 0.00 0.00 54.13 53.11 1ywr s LEU 13 Cb -0.14 -1.25 0.01 0.00 0.01 0.00 0.00 46.19 44.81 1ywr s LEU 13 CO 0.03 -0.16 0.43 -3.20 1.01 0.00 0.00 176.35 174.46 1ywr n ASN 14 N 4.67 -5.90 -0.10 2.29 4.05 -1.26 0.19 115.26 119.19 1ywr n ASN 14 Ca -0.14 -0.21 -0.01 0.00 0.45 0.00 0.00 54.58 54.67 1ywr n ASN 14 Cb 0.46 -4.81 -0.01 0.00 1.23 0.00 0.00 39.78 36.65 1ywr n ASN 14 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1ywr n LYS 15 N -3.72 -0.64 -3.88 1.20 3.00 -1.26 -4.99 118.16 107.87 1ywr n LYS 15 Ca -0.15 0.28 -0.35 0.00 -0.00 0.00 0.00 58.31 58.09 1ywr n LYS 15 Cb 0.63 -3.84 -0.14 0.00 0.00 0.00 0.00 35.03 31.69 1ywr n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ywr s THR 16 N -1.78 3.19 0.49 3.15 2.01 0.50 -5.10 115.64 118.10 1ywr s THR 16 Ca 0.00 -1.15 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 1ywr s THR 16 Cb 0.00 -2.74 -0.08 0.00 0.01 0.00 0.00 72.50 69.69 1ywr s THR 16 CO 0.00 -0.00 1.06 -0.51 -0.69 0.00 0.00 174.62 174.48 1ywr s ILE 17 N 1.33 3.65 -0.05 1.82 1.10 -1.26 0.19 121.20 127.98 1ywr s ILE 17 Ca -0.02 1.05 -0.00 0.00 -0.51 0.00 0.00 60.65 61.16 1ywr s ILE 17 Cb -0.18 -3.43 0.03 0.00 0.15 0.00 0.00 42.46 39.02 1ywr s ILE 17 CO -0.01 -0.21 -0.02 0.26 -2.11 0.00 0.00 174.94 172.86 1ywr s TRP 18 N -1.91 0.63 -0.40 3.50 0.52 0.29 -4.86 118.94 116.71 1ywr s TRP 18 Ca 0.68 -0.15 0.04 0.00 0.02 0.00 0.00 56.10 56.68 1ywr s TRP 18 Cb -0.18 -0.68 0.11 0.00 -1.15 0.00 0.00 33.47 31.56 1ywr s TRP 18 CO 0.22 -0.24 0.13 -2.00 0.02 0.00 0.00 176.95 175.08 1ywr s GLU 19 N 1.43 1.59 0.29 4.98 2.12 -1.26 -1.06 118.70 126.78 1ywr s GLU 19 Ca -0.03 -2.08 0.11 0.00 0.36 0.00 0.00 54.97 53.32 1ywr s GLU 19 Cb -0.13 -3.12 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1ywr s GLU 19 CO -0.03 -1.01 -0.12 0.14 -0.54 0.00 0.00 175.26 173.70 1ywr s VAL 20 N 0.52 2.68 0.66 3.70 -7.23 -1.12 -4.46 120.40 115.14 1ywr s VAL 20 Ca 0.13 -2.22 -0.14 0.00 -1.81 0.00 0.00 61.98 57.95 1ywr s VAL 20 Cb -0.22 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 1ywr s VAL 20 CO -0.06 -0.34 1.08 -2.84 -0.31 0.00 0.00 175.10 172.62 1ywr s PRO 21 N -3.59 2.92 0.32 4.82 0.02 -1.26 -0.73 135.00 137.50 1ywr s PRO 21 Ca 0.31 1.20 0.09 0.00 0.02 0.00 0.00 61.00 62.63 1ywr s PRO 21 Cb -0.04 -1.98 0.86 0.00 0.02 0.00 0.00 34.50 33.36 1ywr s PRO 21 CO 0.17 -1.13 1.75 0.93 -0.33 0.00 0.00 177.00 178.39 1ywr h GLU 22 N -0.17 0.61 -0.44 5.54 4.39 0.36 -2.23 114.58 122.64 1ywr h GLU 22 Ca -0.46 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.34 1ywr h GLU 22 Cb 1.23 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1ywr h GLU 22 CO 0.55 0.40 0.53 0.07 -1.16 0.00 0.00 179.01 179.40 1ywr h ARG 23 N 0.63 0.00 -4.95 2.33 0.11 -1.92 -3.38 114.38 107.20 1ywr h ARG 23 Ca 0.61 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 60.05 1ywr h ARG 23 Cb 1.13 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.02 1ywr h ARG 23 CO -0.42 0.00 -0.58 0.71 0.10 0.00 0.00 179.97 179.78 1ywr s TYR 24 N -4.54 3.15 0.24 4.08 1.51 -0.84 -0.85 117.35 120.11 1ywr s TYR 24 Ca -0.04 -0.16 0.11 0.00 -1.01 0.00 0.00 57.07 55.97 1ywr s TYR 24 Cb 0.15 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.66 1ywr s TYR 24 CO 0.51 -0.24 -0.17 -0.65 -1.11 0.00 0.00 175.55 173.89 1ywr s GLN 25 N 1.59 1.76 -1.40 -0.62 -1.52 0.15 -4.80 119.66 114.82 1ywr s GLN 25 Ca 0.06 -1.60 -0.07 0.00 -1.95 0.00 0.00 55.36 51.80 1ywr s GLN 25 Cb -0.15 -1.89 0.04 0.00 -0.22 0.00 0.00 33.01 30.79 1ywr s GLN 25 CO 0.06 0.37 0.91 -1.71 -0.25 0.00 0.00 175.29 174.67 1ywr n ASN 26 N -0.35 -3.49 -4.62 5.90 2.85 -1.26 -0.32 115.26 113.98 1ywr n ASN 26 Ca -0.08 -0.75 -0.46 0.00 -0.11 0.00 0.00 54.58 53.18 1ywr n ASN 26 Cb 0.58 -4.19 -0.02 0.00 1.24 0.00 0.00 39.78 37.39 1ywr n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ywr n LEU 27 N -4.54 2.20 -3.31 1.20 7.99 -1.26 -4.56 117.00 114.72 1ywr n LEU 27 Ca -0.11 1.16 -0.06 0.00 -0.01 0.00 0.00 56.01 56.99 1ywr n LEU 27 Cb 0.60 -1.32 -0.07 0.00 -0.11 0.00 0.00 43.42 42.52 1ywr n LEU 27 CO 0.70 -1.07 -0.01 -0.55 -1.51 0.00 0.00 177.39 174.96 1ywr s SER 28 N -0.17 -0.09 0.28 -1.43 0.15 -0.69 -4.98 113.70 106.76 1ywr s SER 28 Ca 0.65 0.36 -0.29 0.00 0.70 0.00 0.00 55.95 57.37 1ywr s SER 28 Cb -0.72 1.33 -0.14 0.00 -1.71 0.00 0.00 66.02 64.78 1ywr s SER 28 CO 0.55 -0.29 1.16 -2.65 1.20 0.00 0.00 173.24 173.21 1ywr n PRO 29 N 5.38 1.60 0.00 5.44 -0.02 -1.26 -1.17 135.00 144.97 1ywr n PRO 29 Ca -0.03 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1ywr n PRO 29 Cb 0.50 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1ywr n PRO 29 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ywr n VAL 30 N 0.69 0.00 -3.57 -1.45 0.31 0.02 -4.79 118.33 109.53 1ywr n VAL 30 Ca 0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.36 1ywr n VAL 30 Cb 0.32 -0.58 -0.02 0.00 -0.91 0.00 0.00 33.84 32.65 1ywr n VAL 30 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ywr s GLY 31 N -2.98 -0.40 0.01 2.92 0.00 -1.08 -5.01 107.32 100.78 1ywr s GLY 31 Ca 0.00 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.21 1ywr s GLY 31 CO 0.00 0.24 1.26 -1.35 0.00 0.00 0.00 173.10 173.25 1ywr s SER 32 N -2.61 -0.03 0.00 1.64 1.04 -1.26 -1.54 113.70 110.94 1ywr s SER 32 Ca 0.07 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1ywr s SER 32 Cb -0.01 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1ywr s SER 32 CO -0.06 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1ywr n GLY 33 N -0.69 -0.63 0.22 7.32 0.00 -1.02 -5.01 105.19 105.39 1ywr n GLY 33 Ca -0.03 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1ywr n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywr h ALA 34 N 0.00 -0.49 -1.09 4.61 0.00 -2.04 -3.31 119.26 116.94 1ywr h ALA 34 Ca 0.00 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.02 1ywr h ALA 34 Cb 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 1ywr h ALA 34 CO 0.00 -0.60 0.70 0.10 0.00 0.00 0.00 179.25 179.45 1ywr h TYR 35 N -0.83 0.64 0.00 0.00 -0.00 -1.98 -3.43 116.97 111.38 1ywr h TYR 35 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.70 1ywr h TYR 35 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 37.08 1ywr h TYR 35 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.59 1ywr n GLY 36 N -1.48 0.48 3.13 0.10 0.00 -1.25 0.30 105.19 106.48 1ywr n GLY 36 Ca 0.28 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1ywr n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ywr s SER 37 N -4.00 0.09 -0.07 1.61 0.01 -1.08 -2.42 113.70 107.84 1ywr s SER 37 Ca 0.00 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 56.92 1ywr s SER 37 Cb 0.00 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.46 1ywr s SER 37 CO 0.00 -0.48 -0.24 -0.69 0.41 0.00 0.00 173.24 172.24 1ywr s VAL 38 N -2.24 1.98 -0.08 3.43 1.01 -0.59 -0.83 120.40 123.08 1ywr s VAL 38 Ca -0.08 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1ywr s VAL 38 Cb -0.03 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1ywr s VAL 38 CO -0.03 0.55 -0.18 0.00 0.00 0.00 0.00 175.10 175.44 1ywr s ALA 40 N -0.13 3.52 0.09 0.00 0.00 -0.32 -0.61 121.76 124.30 1ywr s ALA 40 Ca -0.03 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 53.04 1ywr s ALA 40 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 1ywr s ALA 40 CO 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 175.76 175.26 1ywr s ALA 41 N 0.03 0.76 -0.18 0.00 0.00 0.82 -1.71 121.76 121.48 1ywr s ALA 41 Ca 0.56 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.12 1ywr s ALA 41 Cb -0.36 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1ywr s ALA 41 CO 0.39 -0.37 0.02 0.12 0.00 0.00 0.00 175.76 175.92 1ywr s PHE 42 N -3.88 3.15 -0.51 0.00 5.36 0.57 -0.27 117.98 122.39 1ywr s PHE 42 Ca 0.14 -0.12 -0.16 0.00 -0.96 0.00 0.00 56.93 55.83 1ywr s PHE 42 Cb 0.07 -2.05 0.10 0.00 -0.34 0.00 0.00 43.02 40.81 1ywr s PHE 42 CO -0.05 0.03 0.45 0.34 -1.46 0.00 0.00 175.22 174.53 1ywr s ASP 43 N 0.49 6.17 0.52 6.13 2.15 -0.47 -0.68 116.67 130.98 1ywr s ASP 43 Ca 0.01 -1.57 0.23 0.00 0.43 0.00 0.00 52.55 51.64 1ywr s ASP 43 Cb -0.13 -2.20 1.39 0.00 -0.30 0.00 0.00 42.92 41.68 1ywr s ASP 43 CO 0.02 -0.76 2.10 0.71 -0.17 0.00 0.00 175.17 177.07 1ywr h THR 44 N 5.83 0.76 0.00 1.71 1.35 -1.28 0.11 112.91 121.39 1ywr h THR 44 Ca -0.29 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ywr h THR 44 Cb 1.10 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1ywr h THR 44 CO 0.96 0.10 0.00 0.50 -0.25 0.00 0.00 175.52 176.83 1ywr h LYS 45 N 0.00 0.00 0.00 4.72 3.64 -1.92 -3.33 116.57 119.68 1ywr h LYS 45 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ywr h LYS 45 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1ywr h LYS 45 CO 0.01 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.44 1ywr n THR 46 N -2.49 0.16 -0.67 1.00 -2.24 -0.86 -5.00 114.28 104.19 1ywr n THR 46 Ca 0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1ywr n THR 46 Cb 0.39 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1ywr n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ywr n GLY 47 N -0.08 0.70 3.90 3.38 0.00 -0.03 -4.98 105.19 108.07 1ywr n GLY 47 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ywr n GLY 47 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ywr s HIS 48 N -2.56 3.47 0.02 1.61 3.76 -1.20 -4.86 115.29 115.53 1ywr s HIS 48 Ca 0.00 0.59 -0.23 0.00 -0.15 0.00 0.00 55.06 55.27 1ywr s HIS 48 Cb 0.00 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.60 1ywr s HIS 48 CO 0.00 0.41 0.67 0.50 -0.85 0.00 0.00 174.74 175.47 1ywr s ARG 49 N -2.72 4.40 0.31 1.40 3.52 -1.26 -1.37 118.95 123.23 1ywr s ARG 49 Ca 0.42 0.89 0.03 0.00 -0.13 0.00 0.00 55.73 56.93 1ywr s ARG 49 Cb -0.12 -3.35 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 1ywr s ARG 49 CO 0.24 0.34 0.10 0.14 -0.81 0.00 0.00 175.30 175.31 1ywr s VAL 50 N -0.16 0.70 -0.12 7.11 -7.23 0.62 -1.96 120.40 119.36 1ywr s VAL 50 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1ywr s VAL 50 Cb -0.19 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 1ywr s VAL 50 CO 0.20 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 174.84 1ywr s ALA 51 N -3.53 2.56 -0.22 1.32 0.00 0.38 -0.13 121.76 122.15 1ywr s ALA 51 Ca 0.35 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1ywr s ALA 51 Cb 0.07 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1ywr s ALA 51 CO 0.15 0.26 -0.07 0.08 0.00 0.00 0.00 175.76 176.18 1ywr s VAL 52 N 0.33 3.02 -0.21 0.00 1.01 0.22 -1.69 120.40 123.07 1ywr s VAL 52 Ca -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1ywr s VAL 52 Cb -0.16 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1ywr s VAL 52 CO 0.06 0.39 -0.02 -0.75 0.00 0.00 0.00 175.10 174.78 1ywr s LYS 53 N 1.41 3.50 -0.29 2.72 2.20 0.99 -1.21 119.74 129.06 1ywr s LYS 53 Ca 0.04 -0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 54.94 1ywr s LYS 53 Cb -0.15 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1ywr s LYS 53 CO -0.05 -0.10 0.33 0.21 -0.36 0.00 0.00 175.35 175.38 1ywr s LYS 54 N 1.25 3.91 0.56 4.03 2.20 -0.01 -0.24 119.74 131.44 1ywr s LYS 54 Ca 0.03 -0.13 -0.19 0.00 -0.36 0.00 0.00 55.97 55.31 1ywr s LYS 54 Cb -0.14 -3.69 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1ywr s LYS 54 CO -0.00 -0.30 1.17 -0.51 -0.36 0.00 0.00 175.35 175.35 1ywr s LEU 55 N 1.99 3.73 0.00 5.43 1.43 0.18 -2.64 118.68 128.81 1ywr s LEU 55 Ca 0.12 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1ywr s LEU 55 Cb -0.16 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1ywr s LEU 55 CO 0.11 -1.37 0.30 -0.24 0.23 0.00 0.00 176.35 175.37 1ywr n SER 56 N -1.36 0.00 -3.47 2.29 2.88 0.15 -4.49 113.62 109.62 1ywr n SER 56 Ca 0.12 0.30 -0.27 0.00 -1.33 0.00 0.00 58.87 57.70 1ywr n SER 56 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 1ywr n SER 56 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ywr n ARG 57 N -0.43 2.00 -0.17 -1.46 1.74 -1.26 -4.95 116.66 112.12 1ywr n ARG 57 Ca 0.00 -4.33 0.22 0.00 -0.77 0.00 0.00 57.85 52.97 1ywr n ARG 57 Cb 0.00 -2.06 0.61 0.00 -1.02 0.00 0.00 32.46 29.99 1ywr n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1ywr h PRO 58 N 4.43 0.20 -0.33 5.56 0.13 -1.82 -1.78 132.00 138.39 1ywr h PRO 58 Ca 0.17 -0.01 -0.26 0.00 -0.87 0.00 0.00 66.00 65.03 1ywr h PRO 58 Cb 0.73 -0.04 -0.28 0.00 0.13 0.00 0.00 31.00 31.53 1ywr h PRO 58 CO 0.73 0.13 -0.81 1.19 -0.23 0.00 0.00 178.00 179.01 1ywr n PHE 59 N -4.41 1.14 0.26 1.56 3.72 -1.26 -2.63 117.46 115.84 1ywr n PHE 59 Ca 0.17 -1.68 0.16 0.00 -0.05 0.00 0.00 57.45 56.04 1ywr n PHE 59 Cb 0.74 -0.26 0.59 0.00 -0.94 0.00 0.00 39.48 39.61 1ywr n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1ywr h GLN 60 N 1.69 0.00 -3.49 -1.08 4.15 -1.68 -3.45 115.11 111.24 1ywr h GLN 60 Ca 0.06 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 1ywr h GLN 60 Cb 1.38 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.04 1ywr h GLN 60 CO 0.30 0.02 0.06 -1.54 -1.93 0.00 0.00 178.83 175.74 1ywr s SER 61 N -5.81 0.35 0.11 -0.69 1.04 -1.26 -5.01 113.70 102.42 1ywr s SER 61 Ca 0.02 -1.24 -0.15 0.00 0.48 0.00 0.00 55.95 55.07 1ywr s SER 61 Cb 0.08 0.75 -0.06 0.00 0.10 0.00 0.00 66.02 66.89 1ywr s SER 61 CO 0.57 -1.48 1.47 -0.29 0.98 0.00 0.00 173.24 174.49 1ywr h ILE 62 N 2.06 1.29 -0.62 -1.02 -0.00 -1.93 -0.48 117.51 116.81 1ywr h ILE 62 Ca -0.29 -1.31 -0.06 0.00 -0.00 0.00 0.00 64.86 63.19 1ywr h ILE 62 Cb 1.25 1.43 -0.02 0.00 -0.00 0.00 0.00 36.82 39.47 1ywr h ILE 62 CO 0.38 0.42 0.13 0.16 -0.00 0.00 0.00 178.15 179.25 1ywr h ILE 63 N 0.48 1.26 0.29 2.19 -0.00 -1.96 0.72 117.51 120.48 1ywr h ILE 63 Ca 0.07 -0.95 -0.01 0.00 -0.00 0.00 0.00 64.86 63.97 1ywr h ILE 63 Cb 0.73 0.68 -0.00 0.00 -0.00 0.00 0.00 36.82 38.23 1ywr h ILE 63 CO 0.05 0.35 -0.17 0.45 -0.00 0.00 0.00 178.15 178.84 1ywr h HIS 64 N 0.91 -0.44 -0.69 0.16 3.86 -1.83 -1.02 115.15 116.10 1ywr h HIS 64 Ca 0.19 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1ywr h HIS 64 Cb 0.38 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.97 1ywr h HIS 64 CO 0.03 -0.27 0.43 0.00 0.86 0.00 0.00 177.93 178.98 1ywr h ALA 65 N 0.26 1.46 -0.31 2.45 0.00 -0.81 0.18 119.26 122.49 1ywr h ALA 65 Ca -0.03 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1ywr h ALA 65 Cb 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ywr h ALA 65 CO 0.04 0.48 -0.52 -0.22 0.00 0.00 0.00 179.25 179.02 1ywr h LYS 66 N 0.94 0.90 -0.52 0.00 3.64 -0.72 -2.34 116.57 118.47 1ywr h LYS 66 Ca 0.25 -0.55 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1ywr h LYS 66 Cb -0.06 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1ywr h LYS 66 CO -0.05 1.19 -0.11 -0.09 -2.27 0.00 0.00 179.45 178.12 1ywr h ARG 67 N 0.69 0.98 0.08 1.90 9.65 -0.34 0.14 114.38 127.47 1ywr h ARG 67 Ca 0.02 -0.35 0.02 0.00 -1.10 0.00 0.00 59.98 58.56 1ywr h ARG 67 Cb 1.13 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 1ywr h ARG 67 CO 0.12 1.03 -0.18 1.15 2.80 0.00 0.00 179.97 184.88 1ywr h THR 68 N 0.87 0.58 -0.54 0.20 2.02 -0.62 0.32 112.91 115.74 1ywr h THR 68 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1ywr h THR 68 Cb 0.66 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 1ywr h THR 68 CO 0.05 0.00 0.26 0.22 0.37 0.00 0.00 175.52 176.42 1ywr h TYR 69 N -0.34 0.47 0.20 3.16 5.03 -1.15 -0.74 116.97 123.60 1ywr h TYR 69 Ca 0.03 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.37 1ywr h TYR 69 Cb 0.37 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.49 1ywr h TYR 69 CO -0.19 0.21 -0.27 -0.09 -1.32 0.00 0.00 178.16 176.50 1ywr h ARG 70 N 0.50 -0.51 -0.03 1.82 2.43 -0.40 0.38 114.38 118.57 1ywr h ARG 70 Ca 0.25 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1ywr h ARG 70 Cb 0.19 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1ywr h ARG 70 CO -0.19 -0.34 -0.08 1.49 -1.51 0.00 0.00 179.97 179.34 1ywr h GLU 71 N -0.53 -0.12 -0.59 0.20 4.81 -0.06 -0.94 114.58 117.35 1ywr h GLU 71 Ca 0.01 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1ywr h GLU 71 Cb 0.52 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1ywr h GLU 71 CO -0.10 -0.08 0.28 1.25 -0.73 0.00 0.00 179.01 179.63 1ywr h LEU 72 N -0.12 0.37 -0.57 1.64 6.46 -0.98 -0.63 115.31 121.48 1ywr h LEU 72 Ca 0.04 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1ywr h LEU 72 Cb 0.18 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1ywr h LEU 72 CO -0.10 0.24 0.25 0.03 -0.62 0.00 0.00 178.44 178.24 1ywr h ARG 73 N 0.52 0.84 0.09 1.25 2.47 -0.58 -0.14 114.38 118.82 1ywr h ARG 73 Ca 0.28 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.87 1ywr h ARG 73 Cb 0.24 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1ywr h ARG 73 CO -0.22 0.70 -0.14 1.25 0.56 0.00 0.00 179.97 182.12 1ywr h LEU 74 N 0.78 -0.40 -0.76 3.04 5.85 -0.84 -2.68 115.31 120.30 1ywr h LEU 74 Ca 0.19 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1ywr h LEU 74 Cb 0.16 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ywr h LEU 74 CO -0.02 -0.21 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.79 1ywr h LEU 75 N -0.29 0.91 -1.47 2.25 3.38 -0.97 -1.90 115.31 117.23 1ywr h LEU 75 Ca 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ywr h LEU 75 Cb 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ywr h LEU 75 CO -0.08 0.97 0.00 0.11 0.09 0.00 0.00 178.44 179.54 1ywr h LYS 76 N 0.87 0.00 0.14 1.13 1.57 -0.86 -3.24 116.57 116.17 1ywr h LYS 76 Ca 0.16 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.58 1ywr h LYS 76 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1ywr h LYS 76 CO 0.03 0.00 -1.91 1.25 -0.57 0.00 0.00 179.45 178.25 1ywr h HIS 77 N 0.00 0.53 -2.94 -1.35 2.76 -1.02 -3.46 115.15 109.67 1ywr h HIS 77 Ca 0.00 -0.38 -0.57 0.00 -2.20 0.00 0.00 60.37 57.22 1ywr h HIS 77 Cb 0.32 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.22 1ywr h HIS 77 CO 0.00 1.71 1.11 -1.64 -1.30 0.00 0.00 177.93 177.81 1ywr s MET 78 N -2.57 3.69 -0.55 5.26 -1.94 -1.00 -4.94 119.30 117.25 1ywr s MET 78 Ca -0.19 1.38 0.04 0.00 -1.71 0.00 0.00 55.69 55.21 1ywr s MET 78 Cb 0.06 -4.03 0.14 0.00 2.01 0.00 0.00 34.83 33.02 1ywr s MET 78 CO 0.80 -1.41 0.32 0.15 -0.01 0.00 0.00 175.02 174.86 1ywr s LYS 79 N 4.80 1.96 -0.08 2.03 1.02 -1.26 -4.51 119.74 123.70 1ywr s LYS 79 Ca 0.68 -2.70 -0.25 0.00 0.02 0.00 0.00 55.97 53.72 1ywr s LYS 79 Cb -0.20 -3.13 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 1ywr s LYS 79 CO 0.29 -1.17 0.57 -1.58 -0.92 0.00 0.00 175.35 172.54 1ywr s HIS 80 N -0.48 -0.54 0.41 3.18 2.46 -1.26 -5.06 115.29 114.00 1ywr s HIS 80 Ca 0.20 1.01 0.10 0.00 0.47 0.00 0.00 55.06 56.84 1ywr s HIS 80 Cb -0.19 0.29 0.85 0.00 -0.13 0.00 0.00 32.58 33.41 1ywr s HIS 80 CO -0.05 -0.50 1.95 0.93 -2.47 0.00 0.00 174.74 174.61 1ywr h GLU 81 N 3.65 0.21 -0.47 2.88 3.07 -1.98 -2.92 114.58 119.02 1ywr h GLU 81 Ca -0.28 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.54 1ywr h GLU 81 Cb 1.15 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1ywr h GLU 81 CO 0.34 0.32 0.00 0.09 -1.40 0.00 0.00 179.01 178.36 1ywr n ASN 82 N -4.32 5.01 -3.79 1.42 4.13 -1.26 -4.72 115.26 111.74 1ywr n ASN 82 Ca -0.01 -2.91 -0.19 0.00 1.68 0.00 0.00 54.58 53.16 1ywr n ASN 82 Cb 0.23 -0.62 -0.17 0.00 -1.54 0.00 0.00 39.78 37.68 1ywr n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ywr s VAL 83 N -2.68 0.19 0.30 2.41 1.01 -1.10 -0.32 120.40 120.21 1ywr s VAL 83 Ca 0.50 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1ywr s VAL 83 Cb 0.38 -0.32 -0.12 0.00 0.00 0.00 0.00 36.38 36.32 1ywr s VAL 83 CO 0.14 0.18 1.54 -0.38 0.00 0.00 0.00 175.10 176.58 1ywr n ILE 84 N 4.53 1.24 -4.19 2.22 -0.00 -0.95 -4.46 119.36 117.75 1ywr n ILE 84 Ca -0.19 -0.31 -0.10 0.00 -0.00 0.00 0.00 62.75 62.15 1ywr n ILE 84 Cb 0.50 -1.89 -0.03 0.00 -0.00 0.00 0.00 39.64 38.22 1ywr n ILE 84 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ywr n GLY 85 N 1.79 3.67 3.47 7.39 0.00 -1.26 -4.84 105.19 115.41 1ywr n GLY 85 Ca 0.07 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1ywr n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ywr s LEU 86 N 0.00 3.87 -0.05 0.99 1.43 -1.24 -4.50 118.68 119.19 1ywr s LEU 86 Ca 0.12 -0.31 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 1ywr s LEU 86 Cb 0.01 -2.00 -0.31 0.00 0.03 0.00 0.00 46.19 43.91 1ywr s LEU 86 CO 0.08 -0.11 0.80 -0.07 0.23 0.00 0.00 176.35 177.28 1ywr h LEU 87 N 8.32 0.53 -7.22 1.79 3.38 -1.10 -3.42 115.31 117.60 1ywr h LEU 87 Ca -0.35 -0.92 -0.08 0.00 0.09 0.00 0.00 57.88 56.62 1ywr h LEU 87 Cb 1.16 -0.17 -0.19 0.00 0.09 0.00 0.00 40.66 41.55 1ywr h LEU 87 CO 0.59 1.55 -0.00 -0.62 0.09 0.00 0.00 178.44 180.05 1ywr s ASP 88 N -7.14 -0.45 -0.02 -0.43 3.68 -1.16 -4.51 116.67 106.64 1ywr s ASP 88 Ca -0.15 0.41 0.00 0.00 2.13 0.00 0.00 52.55 54.94 1ywr s ASP 88 Cb 0.03 0.45 0.02 0.00 -1.45 0.00 0.00 42.92 41.97 1ywr s ASP 88 CO 0.84 -0.57 0.01 0.54 0.13 0.00 0.00 175.17 176.12 1ywr s VAL 89 N -1.42 0.08 0.10 1.11 0.11 -1.26 -0.73 120.40 118.39 1ywr s VAL 89 Ca -0.11 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 1ywr s VAL 89 Cb -0.02 -0.16 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1ywr s VAL 89 CO 0.06 0.10 0.11 0.72 -3.33 0.00 0.00 175.10 172.76 1ywr s PHE 90 N 0.78 0.47 0.01 1.54 -0.12 -0.77 -4.97 117.98 114.92 1ywr s PHE 90 Ca -0.07 -0.91 0.00 0.00 -0.05 0.00 0.00 56.93 55.90 1ywr s PHE 90 Cb -0.10 -0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 42.03 1ywr s PHE 90 CO -0.02 -0.52 -0.01 -0.08 -0.05 0.00 0.00 175.22 174.54 1ywr s THR 91 N -3.94 0.04 0.37 -4.49 -1.32 -1.26 -1.56 115.64 103.48 1ywr s THR 91 Ca 0.12 -0.24 0.05 0.00 -1.21 0.00 0.00 61.69 60.41 1ywr s THR 91 Cb 0.06 -0.08 0.27 0.00 -1.51 0.00 0.00 72.50 71.24 1ywr s THR 91 CO -0.06 -0.13 2.02 1.55 -2.21 0.00 0.00 174.62 175.80 1ywr h PRO 92 N 5.76 0.71 -6.02 7.08 0.13 -1.79 -3.45 132.00 134.42 1ywr h PRO 92 Ca -0.26 -0.04 -0.84 0.00 -0.87 0.00 0.00 66.00 63.99 1ywr h PRO 92 Cb 1.21 -0.16 0.02 0.00 0.13 0.00 0.00 31.00 32.20 1ywr h PRO 92 CO 0.48 0.47 0.49 0.00 -0.23 0.00 0.00 178.00 179.21 1ywr n ALA 93 N -2.46 -2.03 0.76 -0.56 0.00 -1.26 -4.88 120.51 110.09 1ywr n ALA 93 Ca 0.06 0.53 0.12 0.00 0.00 0.00 0.00 53.44 54.14 1ywr n ALA 93 Cb 0.08 -1.89 0.17 0.00 0.00 0.00 0.00 19.45 17.81 1ywr n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ywr n ARG 94 N 3.22 0.16 -4.06 0.00 1.74 -1.26 -4.89 116.66 111.57 1ywr n ARG 94 Ca 0.27 0.03 -0.10 0.00 -0.77 0.00 0.00 57.85 57.28 1ywr n ARG 94 Cb 0.01 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 1ywr n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ywr s SER 95 N -3.62 0.13 0.25 0.55 1.04 -1.26 -5.03 113.70 105.75 1ywr s SER 95 Ca 0.08 -1.06 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 1ywr s SER 95 Cb 0.15 0.40 0.52 0.00 0.10 0.00 0.00 66.02 67.19 1ywr s SER 95 CO 0.73 -0.86 1.69 0.25 0.98 0.00 0.00 173.24 176.03 1ywr h LEU 96 N 2.63 0.11 -1.40 2.42 6.46 -1.97 -2.07 115.31 121.49 1ywr h LEU 96 Ca -0.33 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1ywr h LEU 96 Cb 1.22 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 1ywr h LEU 96 CO 0.51 -0.01 0.15 -0.33 -0.62 0.00 0.00 178.44 178.13 1ywr h GLU 97 N 0.32 0.55 0.00 1.25 3.07 -2.00 -2.76 114.58 115.00 1ywr h GLU 97 Ca 0.45 -0.07 -0.25 0.00 -0.50 0.00 0.00 59.36 58.98 1ywr h GLU 97 Cb 0.77 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.54 1ywr h GLU 97 CO -0.50 0.46 -1.45 0.93 -1.40 0.00 0.00 179.01 177.05 1ywr h GLU 98 N 0.55 0.00 -5.65 2.33 4.39 -1.85 -3.48 114.58 110.88 1ywr h GLU 98 Ca 0.13 0.00 -0.79 0.00 0.34 0.00 0.00 59.36 59.04 1ywr h GLU 98 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1ywr h GLU 98 CO -0.01 0.59 0.84 0.34 -1.16 0.00 0.00 179.01 179.61 1ywr n PHE 99 N -3.11 1.47 -1.70 4.33 7.35 -0.82 -4.78 117.46 120.19 1ywr n PHE 99 Ca -0.11 0.97 0.00 0.00 -0.76 0.00 0.00 57.45 57.54 1ywr n PHE 99 Cb 0.99 -2.12 0.00 0.00 0.35 0.00 0.00 39.48 38.70 1ywr n PHE 99 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1ywr n ASN 100 N 4.84 0.00 -3.85 -2.13 5.15 -1.26 -5.05 115.26 112.95 1ywr n ASN 100 Ca 0.37 -1.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.22 1ywr n ASN 100 Cb -0.05 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.06 1ywr n ASN 100 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1ywr s ASP 101 N 0.00 -0.04 -0.08 1.20 1.01 -1.26 -4.65 116.67 112.85 1ywr s ASP 101 Ca 0.00 0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.38 1ywr s ASP 101 Cb 0.00 0.09 0.01 0.00 1.01 0.00 0.00 42.92 44.03 1ywr s ASP 101 CO 0.00 -0.03 -0.15 -0.69 0.21 0.00 0.00 175.17 174.51 1ywr s VAL 102 N 0.12 1.41 -0.07 -1.27 1.01 -1.26 -4.51 120.40 115.82 1ywr s VAL 102 Ca -0.01 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1ywr s VAL 102 Cb -0.01 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1ywr s VAL 102 CO -0.00 0.42 -0.24 -0.31 0.00 0.00 0.00 175.10 174.96 1ywr s TYR 103 N 0.67 2.47 -0.04 5.22 1.51 -0.60 -0.65 117.35 125.94 1ywr s TYR 103 Ca -0.14 -0.86 0.03 0.00 -1.01 0.00 0.00 57.07 55.10 1ywr s TYR 103 Cb -0.16 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1ywr s TYR 103 CO 0.04 -0.30 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.55 1ywr s LEU 104 N 0.05 2.88 -0.04 -1.29 1.43 0.67 -1.85 118.68 120.52 1ywr s LEU 104 Ca -0.10 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1ywr s LEU 104 Cb -0.15 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.45 1ywr s LEU 104 CO 0.06 0.34 -0.14 -0.69 0.23 0.00 0.00 176.35 176.14 1ywr s VAL 105 N -0.79 1.22 0.26 -1.59 1.01 0.09 -0.01 120.40 120.59 1ywr s VAL 105 Ca 0.12 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1ywr s VAL 105 Cb -0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 1ywr s VAL 105 CO 0.02 0.36 0.37 0.28 0.00 0.00 0.00 175.10 176.13 1ywr s THR 106 N 0.19 0.00 0.37 3.92 -1.32 -0.68 -0.42 115.64 117.70 1ywr s THR 106 Ca -0.06 -1.65 -0.26 0.00 -1.21 0.00 0.00 61.69 58.51 1ywr s THR 106 Cb -0.12 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.37 1ywr s THR 106 CO 0.02 0.00 1.18 -1.00 -2.21 0.00 0.00 174.62 172.61 1ywr s HIS 107 N -3.77 3.13 0.21 9.09 3.76 -1.26 -0.47 115.29 125.98 1ywr s HIS 107 Ca 0.30 1.55 -0.30 0.00 -0.15 0.00 0.00 55.06 56.46 1ywr s HIS 107 Cb 0.02 -3.43 -0.08 0.00 1.11 0.00 0.00 32.58 30.19 1ywr s HIS 107 CO 0.14 -1.31 1.20 -1.17 -0.85 0.00 0.00 174.74 172.75 1ywr s LEU 108 N -2.24 4.46 0.18 0.89 2.96 -0.83 -4.42 118.68 119.68 1ywr s LEU 108 Ca 0.54 2.28 0.07 0.00 -0.22 0.00 0.00 54.13 56.80 1ywr s LEU 108 Cb -0.32 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.71 1ywr s LEU 108 CO 0.41 -0.36 0.02 -0.04 -1.32 0.00 0.00 176.35 175.06 1ywr s MET 109 N -0.48 2.45 -0.03 1.98 -1.94 -1.26 -4.95 119.30 115.08 1ywr s MET 109 Ca 0.52 -1.10 -0.21 0.00 -1.71 0.00 0.00 55.69 53.20 1ywr s MET 109 Cb -0.33 -2.38 -0.14 0.00 2.01 0.00 0.00 34.83 33.99 1ywr s MET 109 CO 0.38 0.45 0.90 0.78 -0.01 0.00 0.00 175.02 177.53 1ywr h GLY 110 N 2.63 -0.42 0.00 -0.03 0.00 -1.85 -3.48 103.07 99.92 1ywr h GLY 110 Ca -0.47 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ywr h GLY 110 CO 0.59 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.97 1ywr n ALA 111 N -2.60 0.00 -4.22 3.60 0.00 -0.71 -4.99 120.51 111.59 1ywr n ALA 111 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1ywr n ALA 111 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.68 1ywr n ALA 111 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ywr n ASP 112 N -1.46 3.02 0.17 0.00 3.85 -1.26 -0.54 116.55 120.33 1ywr n ASP 112 Ca 0.00 -3.04 0.13 0.00 -0.71 0.00 0.00 54.79 51.18 1ywr n ASP 112 Cb 0.00 0.11 0.44 0.00 -1.35 0.00 0.00 41.12 40.32 1ywr n ASP 112 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1ywr h LEU 113 N 0.00 0.00 0.11 -2.12 3.38 -0.19 -2.69 115.31 113.79 1ywr h LEU 113 Ca -0.38 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1ywr h LEU 113 Cb 1.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1ywr h LEU 113 CO 0.61 0.00 -0.26 0.78 0.09 0.00 0.00 178.44 179.65 1ywr h ASN 114 N 0.00 -0.76 -1.64 -0.43 -0.26 -1.87 -3.33 115.58 107.29 1ywr h ASN 114 Ca 0.00 0.09 -0.64 0.00 -0.56 0.00 0.00 56.30 55.19 1ywr h ASN 114 Cb 0.64 0.29 -0.38 0.00 -1.06 0.00 0.00 38.32 37.81 1ywr h ASN 114 CO 0.00 -0.35 -0.22 -0.46 -1.06 0.00 0.00 177.43 175.34 1ywr n ASN 115 N -5.38 5.52 0.00 5.81 6.94 -1.03 -5.13 115.26 121.99 1ywr n ASN 115 Ca -0.06 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.74 1ywr n ASN 115 Cb 0.29 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1ywr n ASN 115 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ywr n ILE 116 N -0.50 0.00 0.00 1.53 3.06 -1.15 -4.74 119.36 117.56 1ywr n ILE 116 Ca 0.43 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.68 1ywr n ILE 116 Cb 0.54 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.72 1ywr n ILE 116 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1ywr n LYS 118 N -0.33 0.00 -1.20 9.51 0.00 -1.26 -4.34 118.16 120.54 1ywr n LYS 118 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.00 1ywr n LYS 118 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.14 1ywr n LYS 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ywr h GLN 120 N -1.27 0.72 -4.21 0.00 4.15 -2.05 -3.36 115.11 109.10 1ywr h GLN 120 Ca -0.45 -0.74 -0.76 0.00 0.77 0.00 0.00 58.65 57.48 1ywr h GLN 120 Cb 1.24 0.20 -0.23 0.00 0.21 0.00 0.00 27.48 28.90 1ywr h GLN 120 CO 0.51 1.31 0.43 0.15 -1.93 0.00 0.00 178.83 179.30 1ywr s LYS 121 N -3.41 3.70 0.63 1.69 3.01 -1.26 -4.74 119.74 119.35 1ywr s LYS 121 Ca -0.10 -2.35 0.18 0.00 -1.01 0.00 0.00 55.97 52.69 1ywr s LYS 121 Cb 0.07 -4.62 0.96 0.00 -1.01 0.00 0.00 37.83 33.23 1ywr s LYS 121 CO 0.92 -1.45 1.53 -0.07 0.51 0.00 0.00 175.35 176.78 1ywr h LEU 122 N 8.55 0.00 -0.38 3.17 -0.00 -1.74 -3.47 115.31 121.44 1ywr h LEU 122 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 1ywr h LEU 122 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1ywr h LEU 122 CO 0.91 0.00 -0.32 0.41 -0.00 0.00 0.00 178.44 179.45 1ywr n THR 123 N -2.66 -2.54 0.26 0.22 -1.04 -1.26 -4.23 114.28 103.02 1ywr n THR 123 Ca -0.01 0.86 0.12 0.00 -2.04 0.00 0.00 64.05 62.98 1ywr n THR 123 Cb 0.60 -1.56 0.69 0.00 -1.82 0.00 0.00 70.33 68.24 1ywr n THR 123 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ywr h ASP 124 N 0.83 0.00 0.83 8.00 3.58 -1.98 -1.14 116.42 126.54 1ywr h ASP 124 Ca 0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 1ywr h ASP 124 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1ywr h ASP 124 CO 0.00 0.14 -1.08 -0.78 -2.88 0.00 0.00 179.24 174.64 1ywr h ASP 125 N 0.00 0.18 -0.65 2.28 1.82 -2.00 -1.68 116.42 116.37 1ywr h ASP 125 Ca -0.00 -0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.42 1ywr h ASP 125 Cb 0.36 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 1ywr h ASP 125 CO 0.02 1.13 0.28 0.45 -1.61 0.00 0.00 179.24 179.50 1ywr h HIS 126 N 0.04 0.98 -0.25 0.28 3.86 -1.57 -2.30 115.15 116.18 1ywr h HIS 126 Ca -0.06 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1ywr h HIS 126 Cb 1.82 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.97 1ywr h HIS 126 CO 0.03 0.76 0.10 0.28 0.86 0.00 0.00 177.93 179.96 1ywr h VAL 127 N 0.92 0.96 -0.83 2.45 2.07 -1.17 -1.92 116.25 118.74 1ywr h VAL 127 Ca 0.22 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.74 1ywr h VAL 127 Cb 0.18 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1ywr h VAL 127 CO -0.02 0.04 0.49 1.56 0.02 0.00 0.00 177.57 179.66 1ywr h GLN 128 N 0.23 0.84 -0.04 1.57 4.20 -1.18 -0.99 115.11 119.74 1ywr h GLN 128 Ca 0.11 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1ywr h GLN 128 Cb 0.05 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.65 1ywr h GLN 128 CO -0.09 0.55 -0.46 0.35 -0.67 0.00 0.00 178.83 178.51 1ywr h PHE 129 N 0.86 0.54 0.26 2.96 3.57 -1.04 -1.35 116.94 122.74 1ywr h PHE 129 Ca 0.38 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1ywr h PHE 129 Cb 0.27 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1ywr h PHE 129 CO -0.05 1.05 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.89 1ywr h LEU 130 N -0.13 -0.30 -0.90 0.59 3.38 -1.32 -1.46 115.31 115.18 1ywr h LEU 130 Ca -0.05 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1ywr h LEU 130 Cb 1.15 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1ywr h LEU 130 CO 0.09 -0.16 -0.10 0.40 0.09 0.00 0.00 178.44 178.77 1ywr h ILE 131 N -0.42 1.25 -0.47 1.22 1.08 -1.27 -1.65 117.51 117.25 1ywr h ILE 131 Ca -0.04 -1.11 0.05 0.00 -0.39 0.00 0.00 64.86 63.38 1ywr h ILE 131 Cb 0.32 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 1ywr h ILE 131 CO 0.06 0.38 0.20 0.22 -0.69 0.00 0.00 178.15 178.31 1ywr h TYR 132 N 0.65 0.35 -0.46 1.37 3.20 -1.09 0.14 116.97 121.13 1ywr h TYR 132 Ca 0.11 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1ywr h TYR 132 Cb 0.55 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1ywr h TYR 132 CO 0.03 0.15 -0.02 1.96 -1.64 0.00 0.00 178.16 178.64 1ywr h GLN 133 N 0.39 0.78 -0.25 1.82 4.20 -0.97 -0.46 115.11 120.62 1ywr h GLN 133 Ca 0.22 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1ywr h GLN 133 Cb 0.18 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1ywr h GLN 133 CO -0.19 0.80 -0.04 0.82 -0.67 0.00 0.00 178.83 179.55 1ywr h ILE 134 N 0.72 1.27 -0.54 2.54 2.04 -0.79 -1.31 117.51 121.44 1ywr h ILE 134 Ca 0.14 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 1ywr h ILE 134 Cb 0.47 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1ywr h ILE 134 CO 0.02 0.31 0.07 -0.07 0.00 0.00 0.00 178.15 178.48 1ywr h LEU 135 N 0.21 0.83 -0.54 1.44 3.38 -0.81 0.27 115.31 120.11 1ywr h LEU 135 Ca 0.07 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ywr h LEU 135 Cb 0.48 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1ywr h LEU 135 CO 0.02 0.86 0.08 -0.09 0.09 0.00 0.00 178.44 179.40 1ywr h ARG 136 N 0.83 0.89 -0.03 1.13 2.43 -1.01 0.65 114.38 119.28 1ywr h ARG 136 Ca 0.17 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1ywr h ARG 136 Cb 0.40 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ywr h ARG 136 CO 0.01 0.87 0.01 0.78 -1.51 0.00 0.00 179.97 180.13 1ywr h GLY 137 N 0.78 0.04 0.75 2.80 0.00 -0.95 -2.87 103.07 103.62 1ywr h GLY 137 Ca 0.16 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.57 1ywr h GLY 137 CO 0.01 0.02 0.57 1.41 0.00 0.00 0.00 176.54 178.55 1ywr h LEU 138 N -0.08 0.79 -0.33 3.11 4.07 -0.30 -0.93 115.31 121.64 1ywr h LEU 138 Ca 0.01 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.03 1ywr h LEU 138 Cb 0.11 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.67 1ywr h LEU 138 CO -0.00 0.47 0.12 0.50 -1.08 0.00 0.00 178.44 178.45 1ywr h LYS 139 N 0.88 0.25 0.01 1.13 3.64 -0.73 0.43 116.57 122.17 1ywr h LYS 139 Ca 0.40 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1ywr h LYS 139 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ywr h LYS 139 CO -0.17 0.17 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.25 1ywr h TYR 140 N 0.26 -0.01 0.09 1.91 3.20 -1.18 -0.89 116.97 120.35 1ywr h TYR 140 Ca 0.15 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1ywr h TYR 140 Cb 0.12 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1ywr h TYR 140 CO -0.14 0.02 -0.04 0.82 -1.64 0.00 0.00 178.16 177.18 1ywr h ILE 141 N -0.04 1.02 -0.14 1.81 2.04 -0.70 -2.46 117.51 119.04 1ywr h ILE 141 Ca -0.00 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1ywr h ILE 141 Cb 0.04 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1ywr h ILE 141 CO 0.00 0.09 0.08 0.45 0.00 0.00 0.00 178.15 178.78 1ywr h HIS 142 N -0.29 0.17 0.00 1.37 3.86 -0.13 0.68 115.15 120.81 1ywr h HIS 142 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ywr h HIS 142 Cb 0.24 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1ywr h HIS 142 CO -0.02 0.12 0.00 0.66 0.86 0.00 0.00 177.93 179.55 1ywr h SER 143 N 0.19 0.00 -0.66 2.45 4.64 -0.67 -0.79 113.55 118.70 1ywr h SER 143 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ywr h SER 143 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1ywr h SER 143 CO -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 1ywr n ALA 144 N -1.97 2.65 -2.76 5.18 0.00 0.21 -4.70 120.51 119.13 1ywr n ALA 144 Ca -0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 53.44 51.94 1ywr n ALA 144 Cb 0.21 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.70 1ywr n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ywr n ASP 145 N 1.34 -5.30 -4.62 0.00 8.00 -0.30 -4.42 116.55 111.25 1ywr n ASP 145 Ca 0.24 -0.19 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 1ywr n ASP 145 Cb 0.68 -4.19 -0.10 0.00 -0.02 0.00 0.00 41.12 37.49 1ywr n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ywr s ILE 146 N -3.02 3.81 0.02 0.53 1.01 -1.08 -5.03 121.20 117.44 1ywr s ILE 146 Ca 0.19 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.23 1ywr s ILE 146 Cb -0.08 -2.67 -0.02 0.00 0.01 0.00 0.00 42.46 39.69 1ywr s ILE 146 CO 0.24 0.40 -0.26 -0.63 0.00 0.00 0.00 174.94 174.69 1ywr s ILE 147 N -1.01 2.07 -0.02 2.92 1.01 -1.26 -3.49 121.20 121.43 1ywr s ILE 147 Ca 0.18 -1.26 -0.15 0.00 0.00 0.00 0.00 60.65 59.41 1ywr s ILE 147 Cb -0.11 -1.75 -0.09 0.00 0.01 0.00 0.00 42.46 40.52 1ywr s ILE 147 CO 0.08 0.44 0.72 -0.74 0.00 0.00 0.00 174.94 175.45 1ywr h HIS 148 N 5.08 -0.52 0.00 3.97 -0.00 -1.94 -2.84 115.15 118.91 1ywr h HIS 148 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1ywr h HIS 148 Cb 1.13 0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 1ywr h HIS 148 CO 0.45 -0.32 0.00 0.54 -0.00 0.00 0.00 177.93 178.59 1ywr n ARG 149 N -4.65 0.00 -2.78 5.26 1.74 -1.26 -3.32 116.66 111.65 1ywr n ARG 149 Ca -0.07 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.98 1ywr n ARG 149 Cb 0.22 -1.01 0.05 0.00 -1.02 0.00 0.00 32.46 30.69 1ywr n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ywr n ASP 150 N 0.00 1.70 -4.74 0.55 4.64 -1.26 -4.96 116.55 112.48 1ywr n ASP 150 Ca 0.00 -2.21 -0.41 0.00 -1.38 0.00 0.00 54.79 50.78 1ywr n ASP 150 Cb 0.00 -0.48 -0.03 0.00 -1.04 0.00 0.00 41.12 39.56 1ywr n ASP 150 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1ywr s LEU 151 N -3.68 4.44 0.06 -2.67 0.20 -1.26 -4.90 118.68 110.85 1ywr s LEU 151 Ca 0.28 2.28 -0.28 0.00 0.69 0.00 0.00 54.13 57.10 1ywr s LEU 151 Cb 0.35 -3.61 0.09 0.00 -0.43 0.00 0.00 46.19 42.59 1ywr s LEU 151 CO -0.02 -0.42 1.05 -1.59 -0.29 0.00 0.00 176.35 175.07 1ywr s LYS 152 N -0.19 0.86 0.44 1.98 -2.85 -1.26 -4.81 119.74 113.92 1ywr s LYS 152 Ca 0.54 -0.44 0.14 0.00 -1.00 0.00 0.00 55.97 55.20 1ywr s LYS 152 Cb -0.34 0.31 1.05 0.00 -2.06 0.00 0.00 37.83 36.79 1ywr s LYS 152 CO 0.37 -0.39 2.01 -1.35 0.10 0.00 0.00 175.35 176.09 1ywr h PRO 153 N 2.00 0.36 0.00 1.78 0.11 -1.94 -0.39 132.00 133.92 1ywr h PRO 153 Ca -0.24 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ywr h PRO 153 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ywr h PRO 153 CO 0.27 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.17 1ywr n SER 154 N -4.47 0.00 -1.25 -2.05 3.41 -1.26 -1.58 113.62 106.43 1ywr n SER 154 Ca 0.08 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1ywr n SER 154 Cb 0.31 -0.36 0.27 0.00 -0.26 0.00 0.00 64.21 64.18 1ywr n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1ywr n ASN 155 N -1.36 3.67 -4.20 4.04 5.03 -0.16 -4.85 115.26 117.43 1ywr n ASN 155 Ca 0.10 -1.99 -0.35 0.00 0.87 0.00 0.00 54.58 53.20 1ywr n ASN 155 Cb 0.24 -0.37 -0.13 0.00 -1.02 0.00 0.00 39.78 38.49 1ywr n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ywr s LEU 156 N -1.25 3.87 0.01 3.41 1.43 -0.97 -0.36 118.68 124.83 1ywr s LEU 156 Ca 0.44 -1.17 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 1ywr s LEU 156 Cb 0.24 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 1ywr s LEU 156 CO 0.32 -0.25 0.39 0.00 0.23 0.00 0.00 176.35 177.04 1ywr s ALA 157 N 1.30 3.72 0.06 4.21 0.00 0.06 -1.37 121.76 129.73 1ywr s ALA 157 Ca -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1ywr s ALA 157 Cb -0.19 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 1ywr s ALA 157 CO -0.01 0.51 0.06 0.14 0.00 0.00 0.00 175.76 176.46 1ywr s VAL 158 N -1.14 0.18 0.39 0.00 -7.23 0.30 -0.82 120.40 112.08 1ywr s VAL 158 Ca 0.25 -1.46 0.08 0.00 -1.81 0.00 0.00 61.98 59.04 1ywr s VAL 158 Cb -0.16 -1.29 -0.00 0.00 0.56 0.00 0.00 36.38 35.49 1ywr s VAL 158 CO 0.14 -0.80 0.50 0.20 -0.31 0.00 0.00 175.10 174.82 1ywr s ASN 159 N -2.68 5.64 0.55 4.85 0.01 -0.63 -1.74 114.94 120.94 1ywr s ASN 159 Ca 0.03 -0.40 0.28 0.00 -0.71 0.00 0.00 52.86 52.06 1ywr s ASN 159 Cb 0.05 -0.84 1.60 0.00 0.41 0.00 0.00 41.25 42.47 1ywr s ASN 159 CO -0.09 -0.62 2.15 -0.08 -1.51 0.00 0.00 177.10 176.96 1ywr h GLU 160 N 0.81 0.00 -0.00 -0.60 4.57 -1.99 -0.13 114.58 117.24 1ywr h GLU 160 Ca -0.42 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1ywr h GLU 160 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1ywr h GLU 160 CO 0.50 0.07 -0.00 -3.47 -1.18 0.00 0.00 179.01 174.92 1ywr n ASP 161 N -3.78 0.18 -0.01 1.04 2.03 -1.26 -4.90 116.55 109.84 1ywr n ASP 161 Ca -0.02 -1.02 -0.00 0.00 0.52 0.00 0.00 54.79 54.26 1ywr n ASP 161 Cb 0.16 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.55 1ywr n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ywr s GLU 163 N -0.59 4.16 0.00 0.00 0.41 -1.26 -4.78 118.70 116.64 1ywr s GLU 163 Ca 0.00 2.38 0.05 0.00 -0.41 0.00 0.00 54.97 56.99 1ywr s GLU 163 Cb 0.00 -2.96 -0.02 0.00 -1.78 0.00 0.00 34.13 29.37 1ywr s GLU 163 CO 0.00 -0.42 -0.17 -1.17 -0.49 0.00 0.00 175.26 173.02 1ywr s LEU 164 N -2.06 2.07 -0.01 1.80 0.20 -1.26 -1.61 118.68 117.81 1ywr s LEU 164 Ca 0.52 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 55.01 1ywr s LEU 164 Cb -0.43 -0.83 -0.00 0.00 -0.43 0.00 0.00 46.19 44.50 1ywr s LEU 164 CO 0.57 0.17 -0.08 -0.54 -0.29 0.00 0.00 176.35 176.18 1ywr s LYS 165 N -0.62 0.71 0.11 1.98 1.02 -0.00 -4.21 119.74 118.73 1ywr s LYS 165 Ca 0.06 -0.29 -0.26 0.00 0.02 0.00 0.00 55.97 55.50 1ywr s LYS 165 Cb -0.07 -0.69 -0.07 0.00 -0.52 0.00 0.00 37.83 36.49 1ywr s LYS 165 CO 0.00 0.16 0.81 0.42 -0.92 0.00 0.00 175.35 175.82 1ywr s ILE 166 N -0.08 4.54 0.23 2.17 1.01 0.57 -0.76 121.20 128.87 1ywr s ILE 166 Ca 0.02 1.75 0.10 0.00 0.00 0.00 0.00 60.65 62.52 1ywr s ILE 166 Cb -0.04 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1ywr s ILE 166 CO -0.00 0.42 -0.13 -0.76 0.00 0.00 0.00 174.94 174.46 1ywr s LEU 167 N -0.47 2.81 -1.92 2.97 1.02 0.52 -2.24 118.68 121.37 1ywr s LEU 167 Ca 0.39 -0.77 0.00 0.00 0.02 0.00 0.00 54.13 53.77 1ywr s LEU 167 Cb -0.22 -1.42 0.00 0.00 0.02 0.00 0.00 46.19 44.56 1ywr s LEU 167 CO 0.26 0.07 0.00 0.47 0.02 0.00 0.00 176.35 177.16 1ywr n ASP 168 N -0.29 -5.81 -4.79 2.29 9.92 -1.26 -4.84 116.55 111.77 1ywr n ASP 168 Ca -0.09 0.14 -0.34 0.00 -0.53 0.00 0.00 54.79 53.97 1ywr n ASP 168 Cb 0.57 -4.92 -0.03 0.00 -0.64 0.00 0.00 41.12 36.11 1ywr n ASP 168 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1ywr s PHE 169 N -2.96 2.93 -0.46 1.24 -0.12 -1.26 -3.66 117.98 113.69 1ywr s PHE 169 Ca 0.00 1.57 0.00 0.00 -0.05 0.00 0.00 56.93 58.45 1ywr s PHE 169 Cb 0.00 -3.11 0.00 0.00 -0.63 0.00 0.00 43.02 39.28 1ywr s PHE 169 CO 0.00 -0.98 0.00 0.41 -0.05 0.00 0.00 175.22 174.60 1ywr n GLY 170 N -0.18 0.51 0.11 1.99 0.00 -1.07 -4.81 105.19 101.74 1ywr n GLY 170 Ca 0.10 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 1ywr n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ywr n LEU 171 N -0.49 1.44 -2.72 0.99 4.77 -1.24 -4.39 117.00 115.36 1ywr n LEU 171 Ca -0.04 -0.02 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1ywr n LEU 171 Cb 0.43 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1ywr n LEU 171 CO 0.07 0.70 2.29 0.00 -1.33 0.00 0.00 177.39 179.11 1ywr n ALA 172 N -2.96 6.01 0.14 -1.18 0.00 -1.26 -5.12 120.51 116.14 1ywr n ALA 172 Ca -0.37 -2.29 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1ywr n ALA 172 Cb 1.08 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1ywr n ALA 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ywr n ARG 173 N 3.26 0.14 -0.26 0.00 5.12 -1.26 -4.84 116.66 118.82 1ywr n ARG 173 Ca 0.52 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.52 1ywr n ARG 173 Cb 0.45 -1.27 0.16 0.00 -1.16 0.00 0.00 32.46 30.64 1ywr n ARG 173 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1ywr n VAL 183 N 0.70 -0.31 -2.06 1.55 0.31 -1.26 -5.22 118.33 112.04 1ywr n VAL 183 Ca 0.00 1.66 -0.42 0.00 -0.01 0.00 0.00 64.34 65.57 1ywr n VAL 183 Cb 0.06 -2.36 -0.03 0.00 -0.91 0.00 0.00 33.84 30.60 1ywr n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ywr s ALA 184 N -5.80 3.68 0.15 3.52 0.00 -1.26 -4.78 121.76 117.27 1ywr s ALA 184 Ca -0.10 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 52.82 1ywr s ALA 184 Cb 0.21 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1ywr s ALA 184 CO 0.58 -0.70 1.58 1.15 0.00 0.00 0.00 175.76 178.37 1ywr h THR 185 N 4.17 0.15 -1.03 0.00 2.02 -1.97 -1.21 112.91 115.03 1ywr h THR 185 Ca -0.42 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.02 1ywr h THR 185 Cb 1.21 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 67.67 1ywr h THR 185 CO 0.89 0.00 0.66 -0.09 0.37 0.00 0.00 175.52 177.35 1ywr h ARG 186 N -0.36 0.41 -0.27 6.66 2.43 -1.96 -0.43 114.38 120.85 1ywr h ARG 186 Ca 0.12 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.32 1ywr h ARG 186 Cb 0.59 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ywr h ARG 186 CO -0.51 0.27 0.19 -1.49 -1.51 0.00 0.00 179.97 176.92 1ywr h TRP 187 N 0.42 0.11 -0.18 2.20 4.06 -1.47 -2.76 115.95 118.34 1ywr h TRP 187 Ca 0.59 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.55 1ywr h TRP 187 Cb 1.45 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.58 1ywr h TRP 187 CO -0.00 0.06 0.00 0.66 -3.56 0.00 0.00 178.44 175.60 1ywr n TYR 188 N -4.48 0.23 -2.93 0.49 4.02 -0.18 -4.58 117.16 109.72 1ywr n TYR 188 Ca 0.03 -0.22 -0.40 0.00 -0.01 0.00 0.00 57.90 57.29 1ywr n TYR 188 Cb 0.27 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.52 1ywr n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1ywr s ARG 189 N -1.00 4.57 0.25 -0.72 3.52 -1.04 -3.65 118.95 120.88 1ywr s ARG 189 Ca 0.19 1.17 -0.31 0.00 -0.13 0.00 0.00 55.73 56.66 1ywr s ARG 189 Cb 0.11 -3.33 -0.12 0.00 -1.56 0.00 0.00 34.95 30.06 1ywr s ARG 189 CO 0.16 0.38 1.65 0.00 -0.81 0.00 0.00 175.30 176.69 1ywr s ALA 190 N -0.48 3.84 0.42 6.12 0.00 -1.26 -4.86 121.76 125.53 1ywr s ALA 190 Ca 0.39 1.58 0.17 0.00 0.00 0.00 0.00 51.96 54.10 1ywr s ALA 190 Cb -0.22 -3.67 1.07 0.00 0.00 0.00 0.00 23.12 20.30 1ywr s ALA 190 CO 0.26 -0.96 1.88 -1.00 0.00 0.00 0.00 175.76 175.94 1ywr h PRO 191 N 5.75 0.40 -0.23 0.00 0.13 -1.95 -1.79 132.00 134.31 1ywr h PRO 191 Ca -0.45 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 1ywr h PRO 191 Cb 1.21 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1ywr h PRO 191 CO 0.87 0.26 -0.24 1.05 -0.23 0.00 0.00 178.00 179.71 1ywr h GLU 192 N 0.41 0.42 0.00 0.86 9.09 -1.90 -1.12 114.58 122.34 1ywr h GLU 192 Ca 0.42 -0.15 -0.09 0.00 0.05 0.00 0.00 59.36 59.60 1ywr h GLU 192 Cb 1.03 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.08 1ywr h GLU 192 CO -0.15 0.64 -1.11 -0.84 0.05 0.00 0.00 179.01 177.60 1ywr h ILE 193 N 0.38 0.30 0.92 -1.06 3.07 -1.69 -2.92 117.51 116.51 1ywr h ILE 193 Ca 0.06 -1.57 -0.05 0.00 1.55 0.00 0.00 64.86 64.86 1ywr h ILE 193 Cb 0.63 1.85 0.01 0.00 -0.27 0.00 0.00 36.82 39.04 1ywr h ILE 193 CO 0.05 0.17 -0.44 -0.03 -1.05 0.00 0.00 178.15 176.85 1ywr h MET 194 N 0.00 -1.19 -6.46 0.16 4.05 -1.05 -3.30 114.93 107.14 1ywr h MET 194 Ca -0.08 0.08 -0.55 0.00 -0.28 0.00 0.00 59.70 58.87 1ywr h MET 194 Cb 1.31 0.27 -0.08 0.00 -0.80 0.00 0.00 31.60 32.30 1ywr h MET 194 CO 0.03 -0.79 0.96 -0.51 0.23 0.00 0.00 176.91 176.83 1ywr s LEU 195 N -9.47 3.44 -0.30 3.39 2.01 -0.45 -4.86 118.68 112.45 1ywr s LEU 195 Ca -0.18 -0.07 -0.27 0.00 0.01 0.00 0.00 54.13 53.62 1ywr s LEU 195 Cb 0.02 -2.99 -0.12 0.00 0.01 0.00 0.00 46.19 43.11 1ywr s LEU 195 CO 0.54 -1.55 1.19 -3.20 1.01 0.00 0.00 176.35 174.34 1ywr n ASN 196 N 8.58 0.53 -3.69 2.29 5.15 -1.24 -4.70 115.26 122.18 1ywr n ASN 196 Ca 0.07 0.49 -0.23 0.00 -0.60 0.00 0.00 54.58 54.31 1ywr n ASN 196 Cb 0.49 -0.54 -0.17 0.00 -0.53 0.00 0.00 39.78 39.03 1ywr n ASN 196 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1ywr s TRP 197 N 3.08 0.35 -0.61 1.20 0.52 -1.10 -4.98 118.94 117.40 1ywr s TRP 197 Ca 0.69 -0.10 0.23 0.00 0.02 0.00 0.00 56.10 56.95 1ywr s TRP 197 Cb -0.90 -0.67 0.92 0.00 -1.15 0.00 0.00 33.47 31.67 1ywr s TRP 197 CO 0.42 -0.34 1.71 -1.33 0.02 0.00 0.00 176.95 177.43 1ywr n MET 198 N 5.23 0.18 -3.95 4.98 2.81 -1.26 -4.54 117.12 120.56 1ywr n MET 198 Ca -0.06 0.34 -0.30 0.00 -1.81 0.00 0.00 57.70 55.87 1ywr n MET 198 Cb 0.49 -1.81 -0.16 0.00 -0.71 0.00 0.00 33.22 31.04 1ywr n MET 198 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 1ywr s HIS 199 N -3.22 2.41 0.15 2.03 3.76 -1.26 -5.05 115.29 114.10 1ywr s HIS 199 Ca 0.06 -1.72 -0.06 0.00 -0.15 0.00 0.00 55.06 53.19 1ywr s HIS 199 Cb 0.10 -1.59 0.02 0.00 1.11 0.00 0.00 32.58 32.22 1ywr s HIS 199 CO 0.43 -0.77 0.31 2.48 -0.85 0.00 0.00 174.74 176.34 1ywr n TYR 200 N 4.67 -1.52 -3.27 1.40 4.11 -1.26 -4.98 117.16 116.30 1ywr n TYR 200 Ca -0.13 -0.72 0.00 0.00 -0.00 0.00 0.00 57.90 57.06 1ywr n TYR 200 Cb 0.45 0.36 0.00 0.00 -0.00 0.00 0.00 39.34 40.14 1ywr n TYR 200 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 1ywr n ASN 201 N -1.20 0.00 0.14 9.48 0.23 -1.26 -5.02 115.26 117.63 1ywr n ASN 201 Ca -0.03 -0.37 0.12 0.00 -0.53 0.00 0.00 54.58 53.77 1ywr n ASN 201 Cb 0.23 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.42 1ywr n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ywr h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.96 -2.63 115.11 110.89 1ywr h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ywr h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ywr h GLN 202 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 1ywr n THR 203 N -2.32 0.56 -0.16 -0.54 -2.24 -1.26 -1.36 114.28 106.97 1ywr n THR 203 Ca 0.02 0.14 0.14 0.00 -2.27 0.00 0.00 64.05 62.09 1ywr n THR 203 Cb 0.27 -1.00 0.49 0.00 -2.10 0.00 0.00 70.33 67.99 1ywr n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1ywr h VAL 204 N 0.00 0.82 0.00 2.28 -1.51 -1.86 -1.46 116.25 114.53 1ywr h VAL 204 Ca 0.00 -0.15 -0.09 0.00 -1.23 0.00 0.00 66.70 65.23 1ywr h VAL 204 Cb 0.06 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 29.54 1ywr h VAL 204 CO 0.00 0.08 -0.41 0.44 -1.23 0.00 0.00 177.57 176.46 1ywr h ASP 205 N 0.45 0.00 0.32 4.19 3.45 -1.49 -2.81 116.42 120.54 1ywr h ASP 205 Ca 0.36 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.68 1ywr h ASP 205 Cb 0.78 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 1ywr h ASP 205 CO -0.12 0.41 -0.56 0.40 -1.57 0.00 0.00 179.24 177.80 1ywr h ILE 206 N 0.00 1.37 0.04 0.35 1.08 -1.42 -1.48 117.51 117.45 1ywr h ILE 206 Ca -0.00 -1.87 0.01 0.00 -0.39 0.00 0.00 64.86 62.60 1ywr h ILE 206 Cb 1.03 1.92 -0.02 0.00 -3.07 0.00 0.00 36.82 36.69 1ywr h ILE 206 CO 0.05 0.56 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.71 1ywr h TRP 207 N 0.19 -0.27 -0.77 1.37 2.91 -1.22 0.21 115.95 118.37 1ywr h TRP 207 Ca 0.00 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.07 1ywr h TRP 207 Cb 1.04 0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 29.75 1ywr h TRP 207 CO 0.02 -0.16 0.47 0.77 -1.03 0.00 0.00 178.44 178.51 1ywr h SER 208 N -0.20 0.76 -0.62 2.65 0.02 -1.45 -0.25 113.55 114.46 1ywr h SER 208 Ca 0.02 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 1ywr h SER 208 Cb 0.23 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.56 1ywr h SER 208 CO -0.07 0.51 0.32 0.58 -1.14 0.00 0.00 176.83 177.02 1ywr h VAL 209 N 0.90 0.93 -0.37 2.27 2.07 -0.61 -0.88 116.25 120.56 1ywr h VAL 209 Ca 0.32 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1ywr h VAL 209 Cb 0.09 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 1ywr h VAL 209 CO -0.14 0.11 -0.16 1.23 0.02 0.00 0.00 177.57 178.62 1ywr h GLY 210 N 0.59 0.13 1.32 2.17 0.00 0.74 0.12 103.07 108.15 1ywr h GLY 210 Ca 0.28 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 1ywr h GLY 210 CO -0.20 -0.18 0.12 0.00 0.00 0.00 0.00 176.54 176.29 1ywr h ILE 212 N 0.81 1.49 -0.07 0.00 2.04 -0.52 -2.69 117.51 118.57 1ywr h ILE 212 Ca 0.18 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.51 1ywr h ILE 212 Cb 0.31 2.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.82 1ywr h ILE 212 CO 0.00 0.42 -0.15 -0.03 0.00 0.00 0.00 178.15 178.39 1ywr h MET 213 N -0.50 -0.21 -0.59 2.37 4.05 -0.67 -1.08 114.93 118.31 1ywr h MET 213 Ca -0.00 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.55 1ywr h MET 213 Cb 0.72 0.05 -0.10 0.00 -0.80 0.00 0.00 31.60 31.47 1ywr h MET 213 CO 0.02 -0.14 -0.05 0.00 0.23 0.00 0.00 176.91 176.97 1ywr h ALA 214 N 0.79 0.51 -0.42 0.39 0.00 -1.20 -2.52 119.26 116.81 1ywr h ALA 214 Ca 0.07 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ywr h ALA 214 Cb 0.32 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ywr h ALA 214 CO -0.19 -0.41 0.25 1.49 0.00 0.00 0.00 179.25 180.39 1ywr h GLU 215 N 0.07 0.58 0.10 0.00 4.81 -1.07 -2.39 114.58 116.68 1ywr h GLU 215 Ca 0.30 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1ywr h GLU 215 Cb 0.48 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1ywr h GLU 215 CO -0.54 0.44 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.03 1ywr h LEU 216 N 0.56 -0.19 -2.75 1.64 3.38 -0.90 0.42 115.31 117.47 1ywr h LEU 216 Ca 0.15 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ywr h LEU 216 Cb 0.01 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ywr h LEU 216 CO -0.03 -0.12 -0.00 -0.07 0.09 0.00 0.00 178.44 178.31 1ywr h LEU 217 N -0.18 0.00 0.00 1.67 3.38 -1.30 -3.29 115.31 115.59 1ywr h LEU 217 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ywr h LEU 217 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ywr h LEU 217 CO -0.01 0.00 -0.74 0.41 0.09 0.00 0.00 178.44 178.20 1ywr n THR 218 N -3.17 0.00 -0.08 0.22 -1.04 -0.92 -4.93 114.28 104.36 1ywr n THR 218 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1ywr n THR 218 Cb 0.10 0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 1ywr n THR 218 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ywr n GLY 219 N 1.94 2.68 3.18 3.41 0.00 0.14 -5.01 105.19 111.53 1ywr n GLY 219 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ywr n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ywr s ARG 220 N -0.06 0.86 0.18 1.61 1.70 -1.24 -5.03 118.95 116.97 1ywr s ARG 220 Ca 0.00 -1.12 -0.31 0.00 -0.47 0.00 0.00 55.73 53.84 1ywr s ARG 220 Cb 0.00 -0.65 -0.09 0.00 -0.57 0.00 0.00 34.95 33.64 1ywr s ARG 220 CO 0.00 0.12 1.44 -0.08 -1.08 0.00 0.00 175.30 175.69 1ywr s THR 221 N -2.11 2.92 0.07 4.99 -1.32 -1.26 -4.26 115.64 114.67 1ywr s THR 221 Ca 0.04 0.71 -0.28 0.00 -1.21 0.00 0.00 61.69 60.94 1ywr s THR 221 Cb -0.05 -3.45 -0.17 0.00 -1.51 0.00 0.00 72.50 67.31 1ywr s THR 221 CO 0.01 0.08 1.61 0.25 -2.21 0.00 0.00 174.62 174.36 1ywr h LEU 222 N 6.03 -0.44 -7.02 9.08 5.85 -1.93 -3.35 115.31 123.52 1ywr h LEU 222 Ca -0.44 -0.01 -0.62 0.00 0.84 0.00 0.00 57.88 57.65 1ywr h LEU 222 Cb 1.21 0.12 -0.41 0.00 0.37 0.00 0.00 40.66 41.95 1ywr h LEU 222 CO 0.84 -0.28 -0.66 -0.36 -0.34 0.00 0.00 178.44 177.63 1ywr s PHE 223 N -5.90 2.92 0.00 1.25 0.40 -1.26 -5.03 117.98 110.36 1ywr s PHE 223 Ca -0.16 -3.04 0.00 0.00 -0.60 0.00 0.00 56.93 53.14 1ywr s PHE 223 Cb 0.04 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.21 1ywr s PHE 223 CO 0.62 -0.65 0.00 -2.30 0.70 0.00 0.00 175.22 173.59 1ywr n PRO 224 N 2.52 0.00 -0.01 0.24 -0.02 -1.26 -4.60 135.00 131.88 1ywr n PRO 224 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1ywr n PRO 224 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 1ywr n PRO 224 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ywr n GLY 225 N 0.00 1.24 0.25 -1.23 0.00 -1.26 -4.61 105.19 99.59 1ywr n GLY 225 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.92 1ywr n GLY 225 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ywr n THR 226 N 2.91 0.00 -3.85 2.61 -1.04 -1.26 -4.85 114.28 108.80 1ywr n THR 226 Ca 0.00 -0.13 -0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1ywr n THR 226 Cb 0.00 0.76 0.01 0.00 -1.82 0.00 0.00 70.33 69.28 1ywr n THR 226 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ywr n ASP 227 N -0.71 -1.09 0.26 8.00 5.75 -1.26 -5.00 116.55 122.49 1ywr n ASP 227 Ca 0.09 -1.46 0.13 0.00 -0.01 0.00 0.00 54.79 53.54 1ywr n ASP 227 Cb 0.38 1.75 0.66 0.00 -1.03 0.00 0.00 41.12 42.89 1ywr n ASP 227 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1ywr h HIS 228 N 1.71 0.00 0.12 2.11 3.86 -1.98 -0.66 115.15 120.31 1ywr h HIS 228 Ca -0.18 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.84 1ywr h HIS 228 Cb 0.86 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.34 1ywr h HIS 228 CO 0.00 0.14 -0.87 0.82 0.86 0.00 0.00 177.93 178.88 1ywr h ILE 229 N 0.00 1.44 -0.44 2.45 1.08 -1.99 -2.71 117.51 117.34 1ywr h ILE 229 Ca -0.00 -2.49 -0.07 0.00 -0.39 0.00 0.00 64.86 61.91 1ywr h ILE 229 Cb 0.47 3.11 -0.02 0.00 -3.07 0.00 0.00 36.82 37.31 1ywr h ILE 229 CO 0.02 0.70 0.00 -0.78 -0.69 0.00 0.00 178.15 177.40 1ywr h ASP 230 N -0.43 0.69 0.18 1.72 -0.00 -1.92 -2.24 116.42 114.43 1ywr h ASP 230 Ca -0.16 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.03 56.70 1ywr h ASP 230 Cb 1.61 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.76 1ywr h ASP 230 CO 0.12 0.76 -0.09 -0.61 -0.00 0.00 0.00 179.24 179.41 1ywr h GLN 231 N 0.68 -0.24 -0.11 0.28 5.75 -1.22 0.05 115.11 120.30 1ywr h GLN 231 Ca 0.14 0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1ywr h GLN 231 Cb 0.42 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1ywr h GLN 231 CO 0.02 -0.09 -0.08 1.25 -2.65 0.00 0.00 178.83 177.27 1ywr h LEU 232 N -0.33 0.15 -0.12 -2.39 5.85 -1.39 -1.33 115.31 115.74 1ywr h LEU 232 Ca -0.03 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1ywr h LEU 232 Cb 0.26 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1ywr h LEU 232 CO 0.04 0.26 -0.09 0.11 -0.34 0.00 0.00 178.44 178.42 1ywr h LYS 233 N 0.16 0.27 -0.77 1.25 1.57 -1.22 -1.44 116.57 116.40 1ywr h LYS 233 Ca 0.04 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1ywr h LYS 233 Cb 0.25 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1ywr h LYS 233 CO 0.01 0.64 0.45 -0.07 -0.57 0.00 0.00 179.45 179.92 1ywr h LEU 234 N -0.09 0.68 -0.45 2.94 3.38 -0.75 -2.29 115.31 118.72 1ywr h LEU 234 Ca 0.02 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ywr h LEU 234 Cb 0.58 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ywr h LEU 234 CO 0.02 0.43 -0.16 0.40 0.09 0.00 0.00 178.44 179.22 1ywr h ILE 235 N 0.81 1.27 0.00 1.22 2.04 -1.11 -3.05 117.51 118.70 1ywr h ILE 235 Ca 0.35 -1.30 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1ywr h ILE 235 Cb 0.21 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1ywr h ILE 235 CO -0.19 0.44 -0.27 -0.07 0.00 0.00 0.00 178.15 178.06 1ywr h LEU 236 N 0.74 0.00 -1.40 1.44 3.38 -1.02 -1.67 115.31 116.79 1ywr h LEU 236 Ca 0.11 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1ywr h LEU 236 Cb 0.72 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1ywr h LEU 236 CO 0.05 0.27 0.42 0.03 0.09 0.00 0.00 178.44 179.31 1ywr h ARG 237 N 0.00 0.79 0.08 1.13 3.08 -1.30 0.71 114.38 118.86 1ywr h ARG 237 Ca -0.00 -0.05 -0.29 0.00 0.07 0.00 0.00 59.98 59.71 1ywr h ARG 237 Cb 0.55 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1ywr h ARG 237 CO 0.04 0.52 -1.53 1.25 -1.07 0.00 0.00 179.97 179.17 1ywr h LEU 238 N 0.81 0.25 0.00 3.04 5.85 -1.47 -3.40 115.31 120.39 1ywr h LEU 238 Ca 0.25 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ywr h LEU 238 Cb -0.01 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1ywr h LEU 238 CO -0.06 1.65 -0.77 1.33 -0.34 0.00 0.00 178.44 180.24 1ywr n VAL 239 N -3.97 0.09 0.00 1.05 0.24 -0.68 -1.22 118.33 113.84 1ywr n VAL 239 Ca -0.30 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 1ywr n VAL 239 Cb 0.86 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1ywr n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ywr n GLY 240 N 1.44 -1.58 3.69 7.63 0.00 0.25 -4.30 105.19 112.32 1ywr n GLY 240 Ca 0.04 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1ywr n GLY 240 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ywr n THR 241 N -0.86 3.50 -1.72 2.61 -2.24 -0.47 -4.79 114.28 110.32 1ywr n THR 241 Ca 0.00 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 1ywr n THR 241 Cb 0.00 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 66.89 1ywr n THR 241 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ywr n PRO 242 N -2.38 2.59 -1.73 -0.78 -0.02 -1.26 -4.89 135.00 126.53 1ywr n PRO 242 Ca 0.15 0.93 -0.28 0.00 -2.02 0.00 0.00 63.50 62.28 1ywr n PRO 242 Cb 0.49 -2.72 0.20 0.00 -0.02 0.00 0.00 33.50 31.45 1ywr n PRO 242 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ywr n GLY 243 N 3.00 -1.61 0.29 -1.23 0.00 -1.26 -4.76 105.19 99.62 1ywr n GLY 243 Ca 0.13 -1.69 0.16 0.00 0.00 0.00 0.00 46.02 44.62 1ywr n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywr h ALA 244 N -1.89 1.21 -0.20 4.61 0.00 -1.97 -0.36 119.26 120.66 1ywr h ALA 244 Ca -0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1ywr h ALA 244 Cb 1.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ywr h ALA 244 CO 0.28 0.07 0.05 1.49 0.00 0.00 0.00 179.25 181.14 1ywr h GLU 245 N 0.00 0.32 0.00 0.00 4.81 -2.02 -2.55 114.58 115.14 1ywr h GLU 245 Ca -0.00 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1ywr h GLU 245 Cb 0.23 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1ywr h GLU 245 CO 0.01 0.45 -0.88 1.25 -0.73 0.00 0.00 179.01 179.11 1ywr h LEU 246 N 0.13 0.00 -1.90 1.64 5.85 -1.84 -3.25 115.31 115.94 1ywr h LEU 246 Ca 0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1ywr h LEU 246 Cb 0.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1ywr h LEU 246 CO 0.00 0.88 -0.12 0.25 -0.34 0.00 0.00 178.44 179.11 1ywr h LEU 247 N 0.00 0.00 -2.20 2.25 6.46 -0.89 -0.60 115.31 120.33 1ywr h LEU 247 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1ywr h LEU 247 Cb 1.60 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 1ywr h LEU 247 CO 0.11 0.12 0.18 0.11 -0.62 0.00 0.00 178.44 178.34 1ywr h LYS 248 N 0.00 0.00 -0.46 1.25 1.57 -1.49 -2.82 116.57 114.62 1ywr h LYS 248 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ywr h LYS 248 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ywr h LYS 248 CO 0.02 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.53 1ywr n LYS 249 N -3.97 2.53 -3.47 3.15 5.02 -0.23 -4.84 118.16 116.35 1ywr n LYS 249 Ca 0.02 -2.33 -0.40 0.00 -2.02 0.00 0.00 58.31 53.58 1ywr n LYS 249 Cb 0.30 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 1ywr n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ywr s ILE 250 N -1.40 5.23 -0.03 -0.18 1.01 -1.06 -4.96 121.20 119.80 1ywr s ILE 250 Ca 0.41 -0.03 -0.26 0.00 0.00 0.00 0.00 60.65 60.77 1ywr s ILE 250 Cb 0.23 -3.74 -0.21 0.00 0.01 0.00 0.00 42.46 38.75 1ywr s ILE 250 CO 0.32 -0.01 1.20 0.28 0.00 0.00 0.00 174.94 176.73 1ywr h SER 251 N 8.45 0.04 -2.88 3.58 0.02 -1.88 -3.44 113.55 117.43 1ywr h SER 251 Ca -0.31 -0.56 -0.56 0.00 -0.84 0.00 0.00 61.79 59.51 1ywr h SER 251 Cb 1.15 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 1ywr h SER 251 CO 0.65 0.59 0.99 -0.94 -1.14 0.00 0.00 176.83 176.99 1ywr s SER 252 N -5.81 6.73 0.29 3.07 1.04 -1.26 -4.88 113.70 112.88 1ywr s SER 252 Ca -0.16 1.66 0.01 0.00 0.48 0.00 0.00 55.95 57.94 1ywr s SER 252 Cb 0.01 -2.54 0.69 0.00 0.10 0.00 0.00 66.02 64.28 1ywr s SER 252 CO 0.68 -0.96 1.62 -0.33 0.98 0.00 0.00 173.24 175.24 1ywr h GLU 253 N 9.16 0.11 0.00 4.02 3.07 -1.96 0.29 114.58 129.26 1ywr h GLU 253 Ca -0.30 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1ywr h GLU 253 Cb 1.12 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1ywr h GLU 253 CO 0.99 0.07 0.00 0.45 -1.40 0.00 0.00 179.01 179.12 1ywr n SER 254 N -5.34 0.00 0.16 1.42 2.88 -1.26 0.19 113.62 111.66 1ywr n SER 254 Ca 0.21 0.84 -0.14 0.00 -1.33 0.00 0.00 58.87 58.44 1ywr n SER 254 Cb 0.68 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.72 1ywr n SER 254 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ywr h ALA 255 N -1.23 -0.63 -0.57 -1.46 0.00 -1.82 -2.69 119.26 110.86 1ywr h ALA 255 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1ywr h ALA 255 Cb 0.00 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ywr h ALA 255 CO 0.00 -0.90 0.39 0.00 0.00 0.00 0.00 179.25 178.74 1ywr h ARG 256 N -0.62 0.27 -0.04 0.00 3.08 0.12 -1.70 114.38 115.50 1ywr h ARG 256 Ca 0.01 -0.02 -0.25 0.00 0.07 0.00 0.00 59.98 59.79 1ywr h ARG 256 Cb 0.60 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.61 1ywr h ARG 256 CO -0.14 0.18 -0.97 -0.91 -1.07 0.00 0.00 179.97 177.06 1ywr h ASN 257 N 0.28 0.88 0.54 7.04 2.35 0.22 -1.82 115.58 125.07 1ywr h ASN 257 Ca 0.27 -0.67 -0.03 0.00 -0.55 0.00 0.00 56.30 55.32 1ywr h ASN 257 Cb 0.68 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.79 1ywr h ASN 257 CO -0.06 1.47 -0.26 0.22 -1.65 0.00 0.00 177.43 177.15 1ywr h TYR 258 N 0.41 -0.67 -0.33 1.19 3.20 -1.00 0.12 116.97 119.90 1ywr h TYR 258 Ca -0.11 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.81 1ywr h TYR 258 Cb 1.61 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 40.04 1ywr h TYR 258 CO 0.09 -0.36 -0.09 0.82 -1.64 0.00 0.00 178.16 176.99 1ywr h ILE 259 N -0.88 0.66 0.00 1.81 1.08 -1.54 0.53 117.51 119.17 1ywr h ILE 259 Ca -0.07 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1ywr h ILE 259 Cb 0.61 0.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.02 1ywr h ILE 259 CO 0.12 0.00 -0.00 1.56 -0.69 0.00 0.00 178.15 179.14 1ywr h GLN 260 N -0.01 0.00 -0.05 2.37 4.20 -1.32 -2.35 115.11 117.95 1ywr h GLN 260 Ca 0.16 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 1ywr h GLN 260 Cb 0.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ywr h GLN 260 CO -0.34 0.00 -0.66 0.77 -0.67 0.00 0.00 178.83 177.93 1ywr h SER 261 N 0.00 0.26 -3.34 1.46 0.02 0.15 -3.44 113.55 108.66 1ywr h SER 261 Ca -0.00 -0.16 -0.56 0.00 -0.84 0.00 0.00 61.79 60.23 1ywr h SER 261 Cb 0.35 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 1ywr h SER 261 CO 0.00 0.85 0.00 -0.76 -1.14 0.00 0.00 176.83 175.78 1ywr s LEU 262 N -7.80 4.47 0.65 5.07 1.43 -0.73 -5.02 118.68 116.74 1ywr s LEU 262 Ca -0.04 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.18 1ywr s LEU 262 Cb 0.12 -3.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.20 1ywr s LEU 262 CO 0.80 0.19 1.20 -0.89 0.23 0.00 0.00 176.35 177.89 1ywr s THR 263 N -1.26 2.54 0.19 5.49 2.01 -1.26 -4.85 115.64 118.50 1ywr s THR 263 Ca 0.34 0.30 -0.32 0.00 0.31 0.00 0.00 61.69 62.32 1ywr s THR 263 Cb -0.18 -2.99 -0.15 0.00 0.01 0.00 0.00 72.50 69.18 1ywr s THR 263 CO 0.20 -0.11 1.13 0.00 -0.69 0.00 0.00 174.62 175.15 1ywr n GLN 264 N -2.09 1.17 -4.11 4.92 1.13 -1.26 -4.95 117.38 112.18 1ywr n GLN 264 Ca 0.13 0.41 -0.35 0.00 -1.94 0.00 0.00 57.00 55.26 1ywr n GLN 264 Cb 0.50 -1.89 -0.11 0.00 0.11 0.00 0.00 30.24 28.85 1ywr n GLN 264 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1ywr s MET 265 N -0.55 3.80 0.74 -1.09 -1.94 -1.26 -4.95 119.30 114.04 1ywr s MET 265 Ca 0.71 -0.44 -0.11 0.00 -1.71 0.00 0.00 55.69 54.14 1ywr s MET 265 Cb -0.83 -3.12 0.04 0.00 2.01 0.00 0.00 34.83 32.92 1ywr s MET 265 CO 0.53 0.17 1.09 -1.25 -0.01 0.00 0.00 175.02 175.55 1ywr s PRO 266 N 0.61 2.50 0.02 2.03 0.04 -1.26 -1.36 135.00 137.57 1ywr s PRO 266 Ca 0.01 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 1ywr s PRO 266 Cb -0.14 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1ywr s PRO 266 CO 0.02 -1.45 1.06 0.21 0.04 0.00 0.00 177.00 176.87 1ywr s LYS 267 N -4.82 4.51 0.61 4.56 2.47 -1.26 -3.82 119.74 122.00 1ywr s LYS 267 Ca 0.61 1.54 -0.11 0.00 -1.56 0.00 0.00 55.97 56.46 1ywr s LYS 267 Cb -0.17 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 32.74 1ywr s LYS 267 CO 0.54 -0.13 1.01 -1.64 0.16 0.00 0.00 175.35 175.29 1ywr s MET 268 N 1.06 3.55 -0.70 4.03 -1.94 -0.36 -4.92 119.30 120.02 1ywr s MET 268 Ca 0.54 0.69 -0.26 0.00 -1.71 0.00 0.00 55.69 54.95 1ywr s MET 268 Cb -0.24 -2.10 -0.01 0.00 2.01 0.00 0.00 34.83 34.49 1ywr s MET 268 CO 0.28 -0.57 1.70 1.21 -0.01 0.00 0.00 175.02 177.63 1ywr s ASN 269 N -4.18 5.55 0.41 3.03 3.84 -1.26 -4.90 114.94 117.43 1ywr s ASN 269 Ca 0.55 -0.08 0.10 0.00 0.21 0.00 0.00 52.86 53.63 1ywr s ASN 269 Cb -0.11 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 38.95 1ywr s ASN 269 CO 0.53 -2.23 1.99 -0.26 -2.79 0.00 0.00 177.10 174.34 1ywr h PHE 270 N 12.97 0.55 -0.94 0.43 0.05 -1.94 0.29 116.94 128.34 1ywr h PHE 270 Ca -0.20 0.01 0.26 0.00 3.82 0.00 0.00 57.97 61.87 1ywr h PHE 270 Cb 1.11 -0.18 -0.05 0.00 2.00 0.00 0.00 35.95 38.83 1ywr h PHE 270 CO 1.10 0.29 0.67 0.00 -0.18 0.00 0.00 178.31 180.19 1ywr h ALA 271 N 1.68 2.74 0.00 2.45 0.00 -1.90 0.42 119.26 124.65 1ywr h ALA 271 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ywr h ALA 271 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ywr h ALA 271 CO -0.08 -1.02 -1.31 0.09 0.00 0.00 0.00 179.25 176.93 1ywr n ASN 272 N -4.32 0.54 0.04 0.00 3.02 0.99 -2.63 115.26 112.88 1ywr n ASN 272 Ca 0.20 0.10 -0.21 0.00 -0.03 0.00 0.00 54.58 54.64 1ywr n ASN 272 Cb 0.95 1.00 -0.14 0.00 -0.61 0.00 0.00 39.78 40.98 1ywr n ASN 272 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1ywr h VAL 273 N 0.00 1.18 -0.58 2.41 2.07 0.10 -3.31 116.25 118.12 1ywr h VAL 273 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1ywr h VAL 273 Cb 0.94 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1ywr h VAL 273 CO 0.00 0.73 0.00 0.49 0.02 0.00 0.00 177.57 178.81 1ywr n PHE 274 N -3.94 1.88 0.00 1.57 3.01 0.38 -4.96 117.46 115.40 1ywr n PHE 274 Ca -0.21 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.58 1ywr n PHE 274 Cb 0.91 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1ywr n PHE 274 CO 0.00 0.00 0.00 0.44 1.01 0.00 0.00 176.76 178.21 1ywr n ILE 275 N 0.75 0.00 -0.92 4.37 -6.64 -1.08 -0.67 119.36 115.16 1ywr n ILE 275 Ca 0.26 0.00 -0.21 0.00 -1.77 0.00 0.00 62.75 61.04 1ywr n ILE 275 Cb 1.09 0.00 0.06 0.00 -1.44 0.00 0.00 39.64 39.35 1ywr n ILE 275 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1ywr n GLY 276 N 0.00 4.45 3.90 3.28 0.00 -1.26 -4.71 105.19 110.85 1ywr n GLY 276 Ca 0.00 -1.33 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1ywr n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ywr s ALA 277 N -2.36 3.15 -0.08 4.61 0.00 0.15 -4.98 121.76 122.26 1ywr s ALA 277 Ca 0.40 -0.54 -0.38 0.00 0.00 0.00 0.00 51.96 51.44 1ywr s ALA 277 Cb 0.32 -2.77 -0.16 0.00 0.00 0.00 0.00 23.12 20.51 1ywr s ALA 277 CO 0.01 -0.90 1.56 -1.71 0.00 0.00 0.00 175.76 174.72 1ywr n ASN 278 N -2.73 2.15 0.28 0.00 2.85 -1.26 -4.81 115.26 111.74 1ywr n ASN 278 Ca 0.05 1.09 0.15 0.00 -0.11 0.00 0.00 54.58 55.76 1ywr n ASN 278 Cb 0.57 -1.19 0.90 0.00 1.24 0.00 0.00 39.78 41.30 1ywr n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ywr h PRO 279 N 6.05 0.00 -0.41 1.20 0.11 -1.93 0.16 132.00 137.17 1ywr h PRO 279 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 1ywr h PRO 279 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1ywr h PRO 279 CO 0.87 0.00 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.40 1ywr h LEU 280 N 0.00 0.87 -0.25 2.35 3.38 -2.00 -1.97 115.31 117.69 1ywr h LEU 280 Ca 0.02 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.64 1ywr h LEU 280 Cb 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1ywr h LEU 280 CO -0.00 1.08 -0.07 0.00 0.09 0.00 0.00 178.44 179.54 1ywr h ALA 281 N 0.82 0.15 -0.70 1.53 0.00 -1.05 -2.47 119.26 117.55 1ywr h ALA 281 Ca 0.09 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1ywr h ALA 281 Cb 0.75 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ywr h ALA 281 CO 0.06 -0.48 0.46 0.28 0.00 0.00 0.00 179.25 179.57 1ywr h VAL 282 N -0.01 1.17 -0.62 0.00 2.07 -1.32 0.48 116.25 118.01 1ywr h VAL 282 Ca 0.12 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ywr h VAL 282 Cb 0.19 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1ywr h VAL 282 CO -0.26 0.17 0.29 -0.78 0.02 0.00 0.00 177.57 177.01 1ywr h ASP 283 N 0.93 0.82 -0.67 0.57 3.58 -1.15 0.18 116.42 120.68 1ywr h ASP 283 Ca 0.26 -0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1ywr h ASP 283 Cb -0.09 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.72 1ywr h ASP 283 CO -0.06 0.72 0.28 0.25 -2.88 0.00 0.00 179.24 177.55 1ywr h LEU 284 N 0.86 0.92 -1.41 2.28 5.85 -0.94 -0.30 115.31 122.57 1ywr h LEU 284 Ca 0.21 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1ywr h LEU 284 Cb 0.13 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1ywr h LEU 284 CO -0.03 0.83 0.43 -0.07 -0.34 0.00 0.00 178.44 179.27 1ywr h LEU 285 N 0.95 0.66 -0.85 2.25 3.38 -0.39 -0.82 115.31 120.49 1ywr h LEU 285 Ca 0.23 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1ywr h LEU 285 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ywr h LEU 285 CO -0.02 0.45 -0.20 -0.08 0.09 0.00 0.00 178.44 178.69 1ywr h GLU 286 N 0.77 0.64 0.00 1.13 4.81 0.10 -1.20 114.58 120.82 1ywr h GLU 286 Ca 0.26 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ywr h GLU 286 Cb 0.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1ywr h GLU 286 CO -0.07 0.79 0.00 0.87 -0.73 0.00 0.00 179.01 179.87 1ywr h LYS 287 N 0.57 0.00 0.10 1.92 1.57 -0.32 -3.32 116.57 117.08 1ywr h LYS 287 Ca 0.09 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.52 1ywr h LYS 287 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1ywr h LYS 287 CO 0.05 0.00 -1.89 0.52 -0.57 0.00 0.00 179.45 177.56 1ywr h MET 288 N 0.00 0.20 -2.25 3.15 2.86 -0.91 -2.78 114.93 115.20 1ywr h MET 288 Ca 0.00 -0.35 -0.65 0.00 -2.06 0.00 0.00 59.70 56.64 1ywr h MET 288 Cb 0.99 0.13 -0.18 0.00 0.06 0.00 0.00 31.60 32.59 1ywr h MET 288 CO 0.00 1.03 1.26 1.28 1.06 0.00 0.00 176.91 181.54 1ywr n LEU 289 N -3.37 7.26 -4.70 1.22 4.77 -0.48 -4.44 117.00 117.25 1ywr n LEU 289 Ca -0.27 -4.60 -0.35 0.00 -0.03 0.00 0.00 56.01 50.76 1ywr n LEU 289 Cb 1.05 -1.25 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 1ywr n LEU 289 CO 0.44 1.89 -0.23 -0.69 -1.33 0.00 0.00 177.39 177.48 1ywr s VAL 290 N -2.43 5.02 0.11 4.08 1.01 -1.26 -4.90 120.40 122.03 1ywr s VAL 290 Ca 0.54 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.37 1ywr s VAL 290 Cb 0.30 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1ywr s VAL 290 CO -0.19 0.50 1.72 0.25 0.00 0.00 0.00 175.10 177.38 1ywr h LEU 291 N 6.25 0.26 -8.76 3.92 5.85 -1.94 -3.40 115.31 117.49 1ywr h LEU 291 Ca -0.42 -0.07 -0.55 0.00 0.84 0.00 0.00 57.88 57.68 1ywr h LEU 291 Cb 1.18 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 1ywr h LEU 291 CO 0.68 0.25 1.30 -0.62 -0.34 0.00 0.00 178.44 179.72 1ywr s ASP 292 N -5.47 5.69 0.25 1.25 -1.08 -1.26 -4.77 116.67 111.28 1ywr s ASP 292 Ca -0.13 1.03 0.18 0.00 -0.52 0.00 0.00 52.55 53.10 1ywr s ASP 292 Cb 0.08 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 39.95 1ywr s ASP 292 CO 0.70 -1.92 1.55 -1.54 0.52 0.00 0.00 175.17 174.48 1ywr n SER 293 N 11.10 0.46 0.21 -0.34 3.41 -1.26 -0.34 113.62 126.87 1ywr n SER 293 Ca 0.23 0.70 0.11 0.00 -0.26 0.00 0.00 58.87 59.64 1ywr n SER 293 Cb 0.48 -0.76 0.22 0.00 -0.26 0.00 0.00 64.21 63.89 1ywr n SER 293 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ywr h ASP 294 N 0.00 0.00 -0.00 4.04 3.32 -1.95 -3.34 116.42 118.49 1ywr h ASP 294 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ywr h ASP 294 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1ywr h ASP 294 CO 0.00 0.10 -0.66 0.29 -1.72 0.00 0.00 179.24 177.25 1ywr n LYS 295 N -3.13 1.35 -2.00 3.56 4.01 0.54 -4.97 118.16 117.52 1ywr n LYS 295 Ca 0.03 -0.32 -0.41 0.00 -0.51 0.00 0.00 58.31 57.10 1ywr n LYS 295 Cb 0.53 -1.33 -0.02 0.00 -0.51 0.00 0.00 35.03 33.70 1ywr n LYS 295 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1ywr s ARG 296 N -2.45 4.26 0.56 1.97 3.52 -1.00 -4.99 118.95 120.82 1ywr s ARG 296 Ca 0.10 2.32 -0.20 0.00 -0.13 0.00 0.00 55.73 57.82 1ywr s ARG 296 Cb 0.14 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.38 1ywr s ARG 296 CO 0.62 -0.42 1.23 -1.50 -0.81 0.00 0.00 175.30 174.42 1ywr s ILE 297 N -0.09 2.59 0.52 4.11 2.07 -1.05 -5.02 121.20 124.32 1ywr s ILE 297 Ca 0.59 0.39 -0.00 0.00 -1.41 0.00 0.00 60.65 60.22 1ywr s ILE 297 Cb -0.42 -3.17 0.02 0.00 0.13 0.00 0.00 42.46 39.01 1ywr s ILE 297 CO 0.45 -0.05 0.75 0.42 -1.91 0.00 0.00 174.94 174.60 1ywr s THR 298 N -1.52 3.35 0.13 4.00 -4.23 -1.26 -4.88 115.64 111.23 1ywr s THR 298 Ca 0.74 -0.50 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 1ywr s THR 298 Cb -0.32 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.21 1ywr s THR 298 CO 0.36 -0.20 1.73 0.00 -0.54 0.00 0.00 174.62 175.97 1ywr h ALA 299 N 0.16 0.17 -0.41 3.99 0.00 -1.94 0.12 119.26 121.36 1ywr h ALA 299 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ywr h ALA 299 Cb 1.27 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1ywr h ALA 299 CO 0.56 -0.43 0.27 0.00 0.00 0.00 0.00 179.25 179.65 1ywr h ALA 300 N 1.16 1.71 -0.10 0.00 0.00 -1.93 -1.52 119.26 118.56 1ywr h ALA 300 Ca 0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1ywr h ALA 300 Cb 0.10 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ywr h ALA 300 CO -0.14 0.27 -0.49 1.96 0.00 0.00 0.00 179.25 180.84 1ywr h GLN 301 N 0.55 0.52 -0.72 0.00 4.20 -1.87 -3.15 115.11 114.63 1ywr h GLN 301 Ca 0.15 -0.42 0.03 0.00 0.06 0.00 0.00 58.65 58.47 1ywr h GLN 301 Cb -0.06 0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1ywr h GLN 301 CO -0.03 1.05 0.48 0.00 -0.67 0.00 0.00 178.83 179.65 1ywr h ALA 302 N 0.48 1.57 0.00 3.87 0.00 -0.37 -0.71 119.26 124.11 1ywr h ALA 302 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ywr h ALA 302 Cb 1.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ywr h ALA 302 CO 0.10 0.36 0.00 -0.07 0.00 0.00 0.00 179.25 179.64 1ywr h LEU 303 N 0.88 0.00 -1.90 0.00 3.38 -1.25 0.16 115.31 116.59 1ywr h LEU 303 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ywr h LEU 303 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ywr h LEU 303 CO -0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.45 1ywr n ALA 304 N -1.92 2.46 -1.64 1.53 0.00 -0.29 -4.76 120.51 115.89 1ywr n ALA 304 Ca -0.01 -0.69 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 1ywr n ALA 304 Cb 0.13 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 18.84 1ywr n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ywr s HIS 305 N -1.90 2.58 0.57 0.00 5.04 0.04 -4.90 115.29 116.72 1ywr s HIS 305 Ca 0.27 1.55 0.30 0.00 -1.54 0.00 0.00 55.06 55.64 1ywr s HIS 305 Cb 0.19 -3.28 1.81 0.00 0.04 0.00 0.00 32.58 31.35 1ywr s HIS 305 CO 0.29 -1.76 2.24 0.00 -2.34 0.00 0.00 174.74 173.16 1ywr h ALA 306 N 0.60 1.46 -0.01 1.58 0.00 -1.92 -2.71 119.26 118.26 1ywr h ALA 306 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ywr h ALA 306 Cb 1.26 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ywr h ALA 306 CO 0.55 0.02 0.06 -0.92 0.00 0.00 0.00 179.25 178.97 1ywr h TYR 307 N 0.00 0.00 -0.27 0.00 3.20 -1.90 -1.46 116.97 116.53 1ywr h TYR 307 Ca -0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1ywr h TYR 307 Cb 0.05 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1ywr h TYR 307 CO 0.00 0.00 -0.00 1.19 -1.64 0.00 0.00 178.16 177.71 1ywr n PHE 308 N -3.14 0.96 -0.12 -3.82 3.01 -1.02 -4.73 117.46 108.61 1ywr n PHE 308 Ca -0.03 -1.02 0.27 0.00 1.01 0.00 0.00 57.45 57.68 1ywr n PHE 308 Cb 0.13 -0.35 0.72 0.00 -0.01 0.00 0.00 39.48 39.98 1ywr n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ywr h ALA 309 N 1.57 2.69 0.00 4.37 0.00 -1.42 0.93 119.26 127.40 1ywr h ALA 309 Ca 0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ywr h ALA 309 Cb 1.49 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1ywr h ALA 309 CO 0.26 -1.04 -0.30 1.96 0.00 0.00 0.00 179.25 180.13 1ywr h GLN 310 N 0.00 0.00 0.00 0.00 7.50 -1.84 -3.35 115.11 117.42 1ywr h GLN 310 Ca 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.51 1ywr h GLN 310 Cb 1.63 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.16 1ywr h GLN 310 CO -0.00 0.18 -1.18 0.66 -1.50 0.00 0.00 178.83 176.98 1ywr n TYR 311 N -3.10 0.00 -1.89 2.96 4.02 0.09 -5.04 117.16 114.19 1ywr n TYR 311 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 1ywr n TYR 311 Cb 0.61 -0.11 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 1ywr n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1ywr s HIS 312 N -2.19 2.98 -0.25 -0.72 2.46 0.30 -4.97 115.29 112.88 1ywr s HIS 312 Ca -0.01 0.70 -0.02 0.00 0.47 0.00 0.00 55.06 56.20 1ywr s HIS 312 Cb 0.02 -3.96 0.12 0.00 -0.13 0.00 0.00 32.58 28.63 1ywr s HIS 312 CO 0.14 -3.42 0.29 0.34 -2.47 0.00 0.00 174.74 169.62 1ywr s ASP 313 N 0.86 1.30 0.45 9.88 2.15 -1.26 -4.97 116.67 125.07 1ywr s ASP 313 Ca 0.67 -0.40 0.31 0.00 0.43 0.00 0.00 52.55 53.56 1ywr s ASP 313 Cb -0.45 0.59 1.51 0.00 -0.30 0.00 0.00 42.92 44.27 1ywr s ASP 313 CO 0.37 -0.35 1.94 1.55 -0.17 0.00 0.00 175.17 178.50 1ywr h PRO 314 N 8.26 0.00 -0.00 4.34 0.13 -1.96 -0.50 132.00 142.27 1ywr h PRO 314 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1ywr h PRO 314 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1ywr h PRO 314 CO 0.31 0.00 -0.32 -0.25 -0.23 0.00 0.00 178.00 177.51 1ywr n ASP 315 N -2.66 0.59 -2.55 1.44 10.43 -1.26 -4.14 116.55 118.40 1ywr n ASP 315 Ca -0.01 -0.40 -0.08 0.00 2.57 0.00 0.00 54.79 56.87 1ywr n ASP 315 Cb 0.15 0.09 0.04 0.00 1.84 0.00 0.00 41.12 43.24 1ywr n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1ywr n ASP 316 N -1.17 2.73 -3.28 -2.24 2.03 -0.20 -4.87 116.55 109.55 1ywr n ASP 316 Ca 0.09 -2.62 -0.25 0.00 0.52 0.00 0.00 54.79 52.53 1ywr n ASP 316 Cb 0.33 -0.43 -0.08 0.00 -0.72 0.00 0.00 41.12 40.22 1ywr n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ywr n GLU 317 N -0.64 1.21 -1.21 -0.67 1.02 -1.21 -4.92 120.64 114.21 1ywr n GLU 317 Ca 0.20 -3.65 -0.30 0.00 -0.02 0.00 0.00 57.16 53.39 1ywr n GLU 317 Cb 0.86 -1.55 0.14 0.00 -0.02 0.00 0.00 31.44 30.86 1ywr n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ywr s PRO 318 N -1.47 1.27 0.33 3.49 0.04 -1.26 -4.96 135.00 132.45 1ywr s PRO 318 Ca 0.36 0.81 0.08 0.00 0.04 0.00 0.00 61.00 62.30 1ywr s PRO 318 Cb 0.15 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.84 1ywr s PRO 318 CO -0.09 -2.23 0.12 0.14 0.04 0.00 0.00 177.00 174.99 1ywr s VAL 319 N -2.94 3.05 0.28 -0.36 -7.23 -1.26 -4.12 120.40 107.82 1ywr s VAL 319 Ca 0.63 -1.72 -0.10 0.00 -1.81 0.00 0.00 61.98 58.98 1ywr s VAL 319 Cb -0.18 -2.96 -0.07 0.00 0.56 0.00 0.00 36.38 33.73 1ywr s VAL 319 CO 0.57 -0.20 0.61 0.00 -0.31 0.00 0.00 175.10 175.77 1ywr s ALA 320 N -2.42 3.50 0.93 1.32 0.00 -1.25 -5.02 121.76 118.83 1ywr s ALA 320 Ca 0.37 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 51.96 1ywr s ALA 320 Cb -0.03 -2.50 0.15 0.00 0.00 0.00 0.00 23.12 20.74 1ywr s ALA 320 CO 0.22 0.36 1.11 -0.51 0.00 0.00 0.00 175.76 176.94 1ywr s ASP 321 N -2.60 2.89 0.34 0.00 1.01 -1.26 -4.78 116.67 112.27 1ywr s ASP 321 Ca 0.48 1.93 -0.29 0.00 0.71 0.00 0.00 52.55 55.39 1ywr s ASP 321 Cb -0.11 -2.47 -0.11 0.00 1.01 0.00 0.00 42.92 41.24 1ywr s ASP 321 CO 0.23 -3.07 1.54 -2.65 0.21 0.00 0.00 175.17 171.43 1ywr n PRO 322 N -4.20 2.69 -4.53 8.23 -0.02 -1.26 -4.75 135.00 131.17 1ywr n PRO 322 Ca 0.09 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.20 1ywr n PRO 322 Cb 0.53 -2.71 -0.16 0.00 -0.02 0.00 0.00 33.50 31.14 1ywr n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ywr s TYR 323 N -0.60 2.73 -0.66 6.00 5.04 -1.26 -5.09 117.35 123.50 1ywr s TYR 323 Ca 0.58 -1.29 -0.25 0.00 -2.44 0.00 0.00 57.07 53.67 1ywr s TYR 323 Cb -0.48 -1.86 0.05 0.00 0.35 0.00 0.00 41.96 40.01 1ywr s TYR 323 CO 0.57 -0.60 1.10 0.34 -1.34 0.00 0.00 175.55 175.62 1ywr s ASP 324 N 0.90 6.23 -0.37 4.32 3.68 -1.26 -4.87 116.67 125.30 1ywr s ASP 324 Ca -0.04 -0.56 0.07 0.00 2.13 0.00 0.00 52.55 54.15 1ywr s ASP 324 Cb -0.15 -2.49 0.60 0.00 -1.45 0.00 0.00 42.92 39.43 1ywr s ASP 324 CO -0.03 -1.55 1.71 0.00 0.13 0.00 0.00 175.17 175.43 1ywr n GLN 325 N 8.36 2.15 0.18 4.34 6.02 -1.26 -4.53 117.38 132.64 1ywr n GLN 325 Ca 0.01 -3.09 0.16 0.00 -0.01 0.00 0.00 57.00 54.07 1ywr n GLN 325 Cb 0.47 -2.02 0.78 0.00 1.02 0.00 0.00 30.24 30.49 1ywr n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ywr h SER 326 N 1.10 0.00 -0.51 1.08 4.64 -2.04 -0.61 113.55 117.20 1ywr h SER 326 Ca 0.43 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.87 1ywr h SER 326 Cb 2.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.36 1ywr h SER 326 CO 0.76 0.00 0.36 2.19 -0.87 0.00 0.00 176.83 179.27 1ywr h PHE 327 N 0.00 0.14 -0.38 4.77 -5.15 -1.98 -2.87 116.94 111.46 1ywr h PHE 327 Ca 0.10 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.91 1ywr h PHE 327 Cb 0.47 -0.04 -0.02 0.00 0.22 0.00 0.00 35.95 36.58 1ywr h PHE 327 CO 0.00 0.06 0.26 0.93 -2.00 0.00 0.00 178.31 177.56 1ywr h GLU 328 N 0.12 0.35 -0.01 6.09 4.39 -1.47 0.10 114.58 124.15 1ywr h GLU 328 Ca 0.24 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1ywr h GLU 328 Cb 0.79 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1ywr h GLU 328 CO -0.03 0.23 -0.01 -1.13 -1.16 0.00 0.00 179.01 176.91 1ywr n SER 329 N -4.48 1.33 -4.75 1.42 3.41 -1.08 -4.90 113.62 104.57 1ywr n SER 329 Ca 0.04 -1.42 -0.41 0.00 -0.26 0.00 0.00 58.87 56.82 1ywr n SER 329 Cb 0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1ywr n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ywr s ARG 330 N -2.02 4.45 -0.39 4.33 6.06 0.36 -5.03 118.95 126.70 1ywr s ARG 330 Ca 0.38 1.99 -0.05 0.00 -2.50 0.00 0.00 55.73 55.56 1ywr s ARG 330 Cb 0.21 -3.19 0.09 0.00 0.06 0.00 0.00 34.95 32.12 1ywr s ARG 330 CO 0.35 -0.13 0.19 -0.51 -2.50 0.00 0.00 175.30 172.70 1ywr s ASP 331 N -0.03 5.33 0.30 -2.12 1.11 -1.26 -5.08 116.67 114.92 1ywr s ASP 331 Ca 0.53 -1.69 0.04 0.00 0.18 0.00 0.00 52.55 51.60 1ywr s ASP 331 Cb -0.35 -1.87 -0.06 0.00 1.07 0.00 0.00 42.92 41.71 1ywr s ASP 331 CO 0.41 -0.49 0.03 -0.76 1.18 0.00 0.00 175.17 175.53 1ywr s LEU 332 N 1.27 2.24 0.45 1.23 1.43 -1.26 -5.15 118.68 118.89 1ywr s LEU 332 Ca 0.04 -1.32 -0.08 0.00 -1.03 0.00 0.00 54.13 51.74 1ywr s LEU 332 Cb -0.22 -0.41 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1ywr s LEU 332 CO -0.01 -0.54 0.80 -0.76 0.23 0.00 0.00 176.35 176.06 1ywr s LEU 333 N -3.45 3.71 0.28 1.79 1.02 -1.26 -4.90 118.68 115.87 1ywr s LEU 333 Ca 0.34 1.07 0.02 0.00 0.02 0.00 0.00 54.13 55.58 1ywr s LEU 333 Cb 0.07 -4.00 0.62 0.00 0.02 0.00 0.00 46.19 42.90 1ywr s LEU 333 CO 0.14 -0.50 1.77 0.40 0.02 0.00 0.00 176.35 178.17 1ywr h ILE 334 N 0.65 0.72 0.00 -0.59 2.04 -1.92 0.13 117.51 118.53 1ywr h ILE 334 Ca -0.47 -0.23 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1ywr h ILE 334 Cb 1.19 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1ywr h ILE 334 CO 0.63 0.12 -0.13 0.44 0.00 0.00 0.00 178.15 179.21 1ywr h ASP 335 N 0.68 0.00 0.07 1.72 3.45 -1.97 0.21 116.42 120.59 1ywr h ASP 335 Ca 0.51 0.00 -0.21 0.00 0.43 0.00 0.00 57.03 57.77 1ywr h ASP 335 Cb 0.75 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.54 1ywr h ASP 335 CO -0.37 0.13 -0.85 -0.33 -1.57 0.00 0.00 179.24 176.24 1ywr h GLU 336 N 0.00 0.45 -0.53 3.56 5.08 -1.14 -2.25 114.58 119.75 1ywr h GLU 336 Ca -0.00 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 1ywr h GLU 336 Cb 0.53 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1ywr h GLU 336 CO 0.02 1.23 0.29 -1.49 -1.00 0.00 0.00 179.01 178.05 1ywr h TRP 337 N -0.06 0.73 -0.52 4.33 -0.00 -1.07 -0.74 115.95 118.62 1ywr h TRP 337 Ca -0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.75 1ywr h TRP 337 Cb 1.59 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 30.49 1ywr h TRP 337 CO 0.15 0.54 0.34 -0.22 -0.00 0.00 0.00 178.44 179.26 1ywr h LYS 338 N 0.71 0.69 0.00 0.49 3.64 -0.65 0.13 116.57 121.58 1ywr h LYS 338 Ca 0.19 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1ywr h LYS 338 Cb 0.06 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1ywr h LYS 338 CO -0.03 0.47 -0.46 1.03 -2.27 0.00 0.00 179.45 178.19 1ywr h SER 339 N 0.71 0.00 -0.57 4.20 0.87 -1.26 -0.25 113.55 117.24 1ywr h SER 339 Ca 0.19 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1ywr h SER 339 Cb -0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1ywr h SER 339 CO -0.04 0.46 0.21 -0.07 -0.53 0.00 0.00 176.83 176.86 1ywr h LEU 340 N 0.00 0.81 -0.21 2.23 3.38 -0.31 -1.59 115.31 119.61 1ywr h LEU 340 Ca -0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1ywr h LEU 340 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ywr h LEU 340 CO 0.06 0.78 -0.03 0.74 0.09 0.00 0.00 178.44 180.08 1ywr h THR 341 N 0.80 1.27 -0.44 0.22 2.02 -0.18 -2.53 112.91 114.07 1ywr h THR 341 Ca 0.19 -0.97 0.07 0.00 0.77 0.00 0.00 66.41 66.47 1ywr h THR 341 Cb 0.24 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 1ywr h THR 341 CO -0.01 0.30 0.07 0.22 0.37 0.00 0.00 175.52 176.47 1ywr h TYR 342 N 0.13 0.11 -0.99 3.16 3.20 -0.94 0.01 116.97 121.65 1ywr h TYR 342 Ca 0.06 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.10 1ywr h TYR 342 Cb 0.46 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.65 1ywr h TYR 342 CO 0.04 -0.01 0.61 -0.44 -1.64 0.00 0.00 178.16 176.72 1ywr h ASP 343 N 0.20 0.84 0.62 -2.11 3.45 -1.16 -1.53 116.42 116.73 1ywr h ASP 343 Ca 0.22 0.07 -0.14 0.00 0.43 0.00 0.00 57.03 57.61 1ywr h ASP 343 Cb 0.28 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 1ywr h ASP 343 CO -0.30 0.39 -0.65 -0.33 -1.57 0.00 0.00 179.24 176.78 1ywr h GLU 344 N 0.88 0.02 0.72 3.56 4.39 -0.60 -1.08 114.58 122.46 1ywr h GLU 344 Ca 0.53 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.17 1ywr h GLU 344 Cb 0.66 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1ywr h GLU 344 CO -0.32 0.66 -0.35 0.28 -1.16 0.00 0.00 179.01 178.13 1ywr h VAL 345 N 0.02 0.29 -0.49 3.13 2.07 -0.30 -2.86 116.25 118.11 1ywr h VAL 345 Ca -0.01 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 1ywr h VAL 345 Cb 1.15 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1ywr h VAL 345 CO 0.09 0.00 0.32 0.40 0.02 0.00 0.00 177.57 178.40 1ywr h ILE 346 N -0.97 1.07 -0.03 4.57 1.08 -1.17 -1.16 117.51 120.89 1ywr h ILE 346 Ca -0.10 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1ywr h ILE 346 Cb 0.74 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1ywr h ILE 346 CO 0.16 0.11 0.00 -1.54 -0.69 0.00 0.00 178.15 176.19 1ywr n SER 347 N -4.47 1.27 -4.70 1.72 3.41 -0.42 -4.94 113.62 105.48 1ywr n SER 347 Ca 0.05 -1.45 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 1ywr n SER 347 Cb 0.12 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 1ywr n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1ywr n PHE 348 N 0.00 2.67 -3.80 7.33 7.35 -0.44 -4.96 117.46 125.60 1ywr n PHE 348 Ca 0.19 -0.05 -0.37 0.00 -0.76 0.00 0.00 57.45 56.46 1ywr n PHE 348 Cb 0.31 -2.70 -0.13 0.00 0.35 0.00 0.00 39.48 37.31 1ywr n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1ywr s VAL 349 N 1.98 3.62 1.02 -2.13 1.01 -1.26 -5.07 120.40 119.56 1ywr s VAL 349 Ca 0.79 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1ywr s VAL 349 Cb -0.50 -2.98 0.20 0.00 0.00 0.00 0.00 36.38 33.10 1ywr s VAL 349 CO 0.35 -0.05 1.08 -2.16 0.00 0.00 0.00 175.10 174.32 1ywr s PRO 350 N 1.40 0.24 0.74 2.72 0.04 -1.26 -4.98 135.00 133.89 1ywr s PRO 350 Ca -0.01 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.00 1ywr s PRO 350 Cb -0.19 -1.67 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1ywr s PRO 350 CO 0.01 -3.01 1.08 -2.14 0.04 0.00 0.00 177.00 172.98 1ywr s PRO 351 N -4.64 2.55 0.00 0.56 0.02 -1.26 -5.15 135.00 127.08 1ywr s PRO 351 Ca 0.67 1.10 0.27 0.00 0.02 0.00 0.00 61.00 63.06 1ywr s PRO 351 Cb -0.23 -1.94 0.82 0.00 0.02 0.00 0.00 34.50 33.18 1ywr s PRO 351 CO 0.61 -1.41 1.62 -0.35 -0.33 0.00 0.00 177.00 177.13