#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbv s ARG 5 N 0.00 4.37 1.01 5.31 3.52 -1.26 -5.03 118.95 126.87 1wbv s ARG 5 Ca 0.00 1.63 -0.12 0.00 -0.13 0.00 0.00 55.73 57.11 1wbv s ARG 5 Cb 0.00 -3.54 0.19 0.00 -1.56 0.00 0.00 34.95 30.04 1wbv s ARG 5 CO 0.00 -0.41 1.09 -1.25 -0.81 0.00 0.00 175.30 173.92 1wbv s PRO 6 N 2.11 0.34 0.07 5.12 0.04 -1.26 -5.01 135.00 136.41 1wbv s PRO 6 Ca 0.55 0.56 -0.25 0.00 0.04 0.00 0.00 61.00 61.90 1wbv s PRO 6 Cb -0.24 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1wbv s PRO 6 CO 0.22 -2.80 0.76 0.99 0.04 0.00 0.00 177.00 176.21 1wbv s THR 7 N -2.92 4.67 0.08 1.26 2.01 -1.26 -5.00 115.64 114.48 1wbv s THR 7 Ca 0.65 1.62 0.04 0.00 0.31 0.00 0.00 61.69 64.31 1wbv s THR 7 Cb -0.19 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 1wbv s THR 7 CO 0.58 0.40 0.04 -0.36 -0.69 0.00 0.00 174.62 174.59 1wbv s PHE 8 N -0.30 3.10 0.13 4.92 0.40 -1.26 -1.19 117.98 123.77 1wbv s PHE 8 Ca 0.37 0.03 0.08 0.00 -0.60 0.00 0.00 56.93 56.82 1wbv s PHE 8 Cb -0.21 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 1wbv s PHE 8 CO 0.23 0.50 -0.19 1.52 0.70 0.00 0.00 175.22 177.98 1wbv s TYR 9 N -1.35 1.77 0.15 0.36 1.13 -0.56 -4.91 117.35 113.94 1wbv s TYR 9 Ca 0.28 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.49 1wbv s TYR 9 Cb -0.12 -0.94 -0.04 0.00 -1.10 0.00 0.00 41.96 39.76 1wbv s TYR 9 CO 0.20 0.25 0.32 1.03 -2.51 0.00 0.00 175.55 174.84 1wbv s ARG 10 N -2.27 3.49 -0.28 -3.49 0.52 -1.26 -2.09 118.95 113.56 1wbv s ARG 10 Ca 0.10 -0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 1wbv s ARG 10 Cb -0.08 -2.92 0.10 0.00 0.52 0.00 0.00 34.95 32.57 1wbv s ARG 10 CO 0.05 0.49 0.85 -1.14 0.02 0.00 0.00 175.30 175.57 1wbv s GLN 11 N -3.05 0.61 -0.22 3.54 0.74 -0.51 -4.99 119.66 115.77 1wbv s GLN 11 Ca 0.37 0.88 -0.12 0.00 0.05 0.00 0.00 55.36 56.53 1wbv s GLN 11 Cb -0.12 0.22 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1wbv s GLN 11 CO 0.28 -0.10 0.25 -2.00 -0.55 0.00 0.00 175.29 173.17 1wbv s GLU 12 N 0.90 4.11 -0.16 1.67 2.12 -1.26 0.12 118.70 126.21 1wbv s GLU 12 Ca -0.04 -0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1wbv s GLU 12 Cb -0.05 -3.54 0.05 0.00 0.26 0.00 0.00 34.13 30.85 1wbv s GLU 12 CO -0.10 0.03 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.12 1wbv s LEU 13 N 1.13 1.32 -1.21 2.70 1.43 0.10 -4.84 118.68 119.31 1wbv s LEU 13 Ca 0.12 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 1wbv s LEU 13 Cb -0.14 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.33 1wbv s LEU 13 CO 0.06 -0.23 0.74 0.59 0.23 0.00 0.00 176.35 177.74 1wbv n ASN 14 N 4.97 -3.58 -0.20 2.29 4.13 -1.26 -2.14 115.26 119.47 1wbv n ASN 14 Ca -0.10 -0.90 -0.03 0.00 1.68 0.00 0.00 54.58 55.23 1wbv n ASN 14 Cb 0.48 -3.87 -0.01 0.00 -1.54 0.00 0.00 39.78 34.84 1wbv n ASN 14 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1wbv n LYS 15 N -4.09 -1.28 -5.08 3.52 0.00 -1.26 -4.97 118.16 105.00 1wbv n LYS 15 Ca -0.18 0.46 -0.30 0.00 0.00 0.00 0.00 58.31 58.29 1wbv n LYS 15 Cb 0.64 -4.49 -0.17 0.00 0.00 0.00 0.00 35.03 31.01 1wbv n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wbv s THR 16 N -1.55 1.82 -0.03 3.15 2.01 -0.91 -5.11 115.64 115.02 1wbv s THR 16 Ca 0.00 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.81 1wbv s THR 16 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1wbv s THR 16 CO 0.00 0.51 0.90 -0.63 -0.69 0.00 0.00 174.62 174.71 1wbv s ILE 17 N 0.18 4.91 -0.20 1.82 -1.09 -1.26 0.02 121.20 125.59 1wbv s ILE 17 Ca -0.11 1.88 -0.02 0.00 -2.23 0.00 0.00 60.65 60.17 1wbv s ILE 17 Cb -0.15 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1wbv s ILE 17 CO 0.05 0.17 -0.11 0.26 -1.23 0.00 0.00 174.94 174.09 1wbv s TRP 18 N 1.04 2.87 -0.34 3.97 0.52 0.12 -4.97 118.94 122.15 1wbv s TRP 18 Ca 0.47 -1.16 -0.03 0.00 0.02 0.00 0.00 56.10 55.40 1wbv s TRP 18 Cb -0.20 -2.01 0.07 0.00 -1.15 0.00 0.00 33.47 30.18 1wbv s TRP 18 CO 0.24 -0.61 0.09 -1.21 0.02 0.00 0.00 176.95 175.49 1wbv s GLU 19 N 1.28 2.34 0.11 4.98 2.02 -1.26 -1.42 118.70 126.76 1wbv s GLU 19 Ca 0.03 -1.42 0.05 0.00 0.02 0.00 0.00 54.97 53.65 1wbv s GLU 19 Cb -0.14 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.67 1wbv s GLU 19 CO -0.06 -0.78 -0.13 0.14 0.02 0.00 0.00 175.26 174.46 1wbv s VAL 20 N 1.26 1.21 0.36 2.63 -7.23 -0.89 -4.62 120.40 113.12 1wbv s VAL 20 Ca -0.00 -1.69 -0.26 0.00 -1.81 0.00 0.00 61.98 58.22 1wbv s VAL 20 Cb -0.21 -1.47 -0.12 0.00 0.56 0.00 0.00 36.38 35.14 1wbv s VAL 20 CO -0.01 -0.46 1.12 -2.65 -0.31 0.00 0.00 175.10 172.79 1wbv n PRO 21 N 0.55 1.64 -0.32 4.82 -0.02 -1.26 -1.50 135.00 138.90 1wbv n PRO 21 Ca -0.16 0.58 0.31 0.00 -2.02 0.00 0.00 63.50 62.22 1wbv n PRO 21 Cb 0.57 -2.11 0.68 0.00 -0.02 0.00 0.00 33.50 32.62 1wbv n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wbv h GLU 22 N 2.00 0.11 -0.69 -0.52 5.08 -1.50 -1.68 114.58 117.39 1wbv h GLU 22 Ca -0.44 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.10 1wbv h GLU 22 Cb 1.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.51 1wbv h GLU 22 CO 0.60 0.07 0.48 0.07 -1.00 0.00 0.00 179.01 179.23 1wbv h ARG 23 N 0.12 0.10 -5.47 2.33 0.11 -1.90 -3.39 114.38 106.28 1wbv h ARG 23 Ca 0.57 -0.01 -0.61 0.00 0.10 0.00 0.00 59.98 60.03 1wbv h ARG 23 Cb 2.02 -0.02 -0.12 0.00 1.11 0.00 0.00 29.97 32.96 1wbv h ARG 23 CO -0.10 0.07 0.12 0.71 0.10 0.00 0.00 179.97 180.87 1wbv s TYR 24 N -5.11 3.26 0.22 4.08 2.02 -0.63 -1.02 117.35 120.17 1wbv s TYR 24 Ca -0.06 0.71 0.07 0.00 -0.37 0.00 0.00 57.07 57.42 1wbv s TYR 24 Cb 0.21 -2.85 -0.05 0.00 -0.40 0.00 0.00 41.96 38.86 1wbv s TYR 24 CO 0.75 -0.36 -0.10 -0.65 -1.57 0.00 0.00 175.55 173.62 1wbv s GLN 25 N 2.49 1.37 -1.22 -0.62 -1.52 -0.52 -4.85 119.66 114.78 1wbv s GLN 25 Ca 0.25 -1.64 -0.02 0.00 -1.95 0.00 0.00 55.36 52.00 1wbv s GLN 25 Cb -0.15 -1.02 0.00 0.00 -0.22 0.00 0.00 33.01 31.61 1wbv s GLN 25 CO 0.09 0.10 1.03 0.09 -0.25 0.00 0.00 175.29 176.35 1wbv n ASN 26 N -0.42 -2.94 -4.74 5.90 5.03 -1.26 -0.64 115.26 116.19 1wbv n ASN 26 Ca -0.07 -0.60 -0.41 0.00 0.87 0.00 0.00 54.58 54.37 1wbv n ASN 26 Cb 0.62 -5.06 -0.03 0.00 -1.02 0.00 0.00 39.78 34.29 1wbv n ASN 26 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1wbv s LEU 27 N -6.51 4.41 -0.19 3.41 1.02 -1.26 -4.34 118.68 115.23 1wbv s LEU 27 Ca 0.12 2.44 -0.04 0.00 0.02 0.00 0.00 54.13 56.67 1wbv s LEU 27 Cb -0.05 -3.61 0.09 0.00 0.02 0.00 0.00 46.19 42.64 1wbv s LEU 27 CO 0.72 -0.56 0.28 -0.55 0.02 0.00 0.00 176.35 176.26 1wbv s SER 28 N 0.38 0.72 0.06 2.29 0.15 -0.42 -4.96 113.70 111.92 1wbv s SER 28 Ca 0.58 0.20 -0.37 0.00 0.70 0.00 0.00 55.95 57.05 1wbv s SER 28 Cb -0.37 0.69 -0.17 0.00 -1.71 0.00 0.00 66.02 64.45 1wbv s SER 28 CO 0.39 -0.29 1.30 -2.65 1.20 0.00 0.00 173.24 173.19 1wbv n PRO 29 N 5.34 0.95 0.00 5.44 -0.02 -1.26 -0.64 135.00 144.81 1wbv n PRO 29 Ca -0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1wbv n PRO 29 Cb 0.50 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1wbv n PRO 29 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wbv n VAL 30 N 2.38 0.00 -3.68 -1.45 0.31 0.65 -4.81 118.33 111.72 1wbv n VAL 30 Ca 0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1wbv n VAL 30 Cb 0.17 -0.75 -0.01 0.00 -0.91 0.00 0.00 33.84 32.35 1wbv n VAL 30 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wbv s GLY 31 N -3.10 -0.32 -0.02 2.92 0.00 -1.03 -4.99 107.32 100.78 1wbv s GLY 31 Ca 0.00 0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.87 1wbv s GLY 31 CO 0.00 0.07 0.81 -1.35 0.00 0.00 0.00 173.10 172.63 1wbv s SER 32 N -2.94 -0.46 0.00 1.64 1.04 -1.26 0.45 113.70 112.16 1wbv s SER 32 Ca 0.13 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.79 1wbv s SER 32 Cb 0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1wbv s SER 32 CO -0.01 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1wbv n GLY 33 N 0.17 1.83 0.24 7.32 0.00 0.87 -4.98 105.19 110.64 1wbv n GLY 33 Ca -0.13 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1wbv n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbv h ALA 34 N 2.00 1.35 0.00 4.61 0.00 -1.91 -3.10 119.26 122.22 1wbv h ALA 34 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1wbv h ALA 34 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1wbv h ALA 34 CO 0.00 0.44 -1.13 0.66 0.00 0.00 0.00 179.25 179.22 1wbv n TYR 35 N -4.22 0.55 0.00 0.00 4.01 -0.75 -4.73 117.16 112.02 1wbv n TYR 35 Ca -0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1wbv n TYR 35 Cb 0.31 -0.69 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 1wbv n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wbv n GLY 36 N 1.27 0.35 3.42 2.72 0.00 -1.17 -0.18 105.19 111.59 1wbv n GLY 36 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 1wbv n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wbv s SER 37 N 0.00 3.61 -0.06 1.61 0.01 -0.51 -0.09 113.70 118.26 1wbv s SER 37 Ca 0.00 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 56.88 1wbv s SER 37 Cb 0.00 -0.55 -0.00 0.00 0.21 0.00 0.00 66.02 65.68 1wbv s SER 37 CO 0.00 0.28 -0.19 -0.69 0.41 0.00 0.00 173.24 173.05 1wbv s VAL 38 N -0.82 1.61 0.05 3.43 1.01 0.17 -0.80 120.40 125.06 1wbv s VAL 38 Ca 0.13 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1wbv s VAL 38 Cb -0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1wbv s VAL 38 CO 0.03 0.46 -0.23 0.00 0.00 0.00 0.00 175.10 175.36 1wbv s ALA 40 N -0.89 3.24 0.25 0.00 0.00 0.18 -0.48 121.76 124.06 1wbv s ALA 40 Ca 0.13 0.11 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 1wbv s ALA 40 Cb -0.10 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.17 1wbv s ALA 40 CO 0.04 0.21 0.67 0.00 0.00 0.00 0.00 175.76 176.68 1wbv s ALA 41 N -2.12 -1.22 -0.21 0.00 0.00 -0.28 -1.30 121.76 116.64 1wbv s ALA 41 Ca 0.56 -0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1wbv s ALA 41 Cb -0.10 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1wbv s ALA 41 CO 0.19 -0.96 -0.00 0.12 0.00 0.00 0.00 175.76 175.11 1wbv s PHE 42 N -3.89 3.02 -0.53 0.00 5.36 0.18 -0.95 117.98 121.18 1wbv s PHE 42 Ca 0.10 -0.59 -0.23 0.00 -0.96 0.00 0.00 56.93 55.25 1wbv s PHE 42 Cb -0.04 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1wbv s PHE 42 CO 0.03 -0.35 0.85 0.34 -1.46 0.00 0.00 175.22 174.63 1wbv s ASP 43 N 1.24 6.31 0.52 6.13 2.15 -0.24 -1.44 116.67 131.34 1wbv s ASP 43 Ca 0.03 -0.49 0.33 0.00 0.43 0.00 0.00 52.55 52.85 1wbv s ASP 43 Cb -0.15 -2.39 1.32 0.00 -0.30 0.00 0.00 42.92 41.40 1wbv s ASP 43 CO 0.01 -1.12 1.95 0.71 -0.17 0.00 0.00 175.17 176.55 1wbv h THR 44 N 5.98 0.00 -0.02 1.71 1.35 -1.38 0.20 112.91 120.74 1wbv h THR 44 Ca -0.26 -0.48 -0.22 0.00 -0.55 0.00 0.00 66.41 64.90 1wbv h THR 44 Cb 1.08 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1wbv h THR 44 CO 1.05 0.00 -0.90 0.11 -0.25 0.00 0.00 175.52 175.53 1wbv h LYS 45 N 0.00 0.46 0.00 4.72 1.79 -1.91 -3.37 116.57 118.25 1wbv h LYS 45 Ca 0.00 -0.46 -0.04 0.00 -2.18 0.00 0.00 60.65 57.98 1wbv h LYS 45 Cb 0.49 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1wbv h LYS 45 CO 0.00 1.11 -1.61 0.25 -1.08 0.00 0.00 179.45 178.12 1wbv n THR 46 N -3.78 0.13 -0.80 -0.16 -2.24 -1.08 -5.00 114.28 101.35 1wbv n THR 46 Ca -0.07 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1wbv n THR 46 Cb 0.81 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1wbv n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbv n GLY 47 N 1.87 0.64 3.85 3.38 0.00 0.68 -5.04 105.19 110.57 1wbv n GLY 47 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1wbv n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wbv s LEU 48 N 0.00 4.42 0.03 0.99 1.43 -1.21 -4.90 118.68 119.44 1wbv s LEU 48 Ca 0.00 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 53.69 1wbv s LEU 48 Cb 0.00 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1wbv s LEU 48 CO 0.00 0.27 1.17 -0.13 0.23 0.00 0.00 176.35 177.89 1wbv s ARG 49 N -1.39 4.43 0.15 1.70 0.52 -1.26 -1.08 118.95 122.02 1wbv s ARG 49 Ca 0.27 1.70 0.05 0.00 -0.52 0.00 0.00 55.73 57.24 1wbv s ARG 49 Cb -0.15 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 1wbv s ARG 49 CO 0.15 -0.28 -0.11 0.14 0.02 0.00 0.00 175.30 175.22 1wbv s VAL 50 N 1.33 1.28 -0.15 3.52 -7.23 -0.12 -1.34 120.40 117.70 1wbv s VAL 50 Ca 0.57 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 1wbv s VAL 50 Cb -0.27 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 1wbv s VAL 50 CO 0.27 -0.68 -0.03 0.00 -0.31 0.00 0.00 175.10 174.35 1wbv s ALA 51 N -3.11 3.03 -0.23 1.32 0.00 0.57 -1.12 121.76 122.23 1wbv s ALA 51 Ca 0.17 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 1wbv s ALA 51 Cb 0.01 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.59 1wbv s ALA 51 CO 0.02 0.25 -0.07 0.08 0.00 0.00 0.00 175.76 176.04 1wbv s VAL 52 N 0.24 2.97 -0.23 0.00 1.01 0.37 -1.40 120.40 123.37 1wbv s VAL 52 Ca -0.02 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1wbv s VAL 52 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1wbv s VAL 52 CO 0.03 0.34 0.01 -0.75 0.00 0.00 0.00 175.10 174.73 1wbv s LYS 53 N 1.39 3.55 -0.29 2.72 2.20 0.88 -0.53 119.74 129.65 1wbv s LYS 53 Ca 0.03 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.94 1wbv s LYS 53 Cb -0.15 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 1wbv s LYS 53 CO -0.05 -0.15 0.46 0.21 -0.36 0.00 0.00 175.35 175.46 1wbv s LYS 54 N 1.43 3.91 0.23 4.03 2.20 0.02 -0.46 119.74 131.11 1wbv s LYS 54 Ca 0.05 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.43 1wbv s LYS 54 Cb -0.15 -3.70 -0.09 0.00 -1.51 0.00 0.00 37.83 32.38 1wbv s LYS 54 CO 0.01 -0.41 1.24 -0.51 -0.36 0.00 0.00 175.35 175.32 1wbv s LEU 55 N 2.24 4.45 -0.32 5.43 1.43 -0.59 -1.43 118.68 129.89 1wbv s LEU 55 Ca 0.18 2.38 -0.18 0.00 -1.03 0.00 0.00 54.13 55.47 1wbv s LEU 55 Cb -0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 1wbv s LEU 55 CO 0.11 -0.41 0.52 -0.94 0.23 0.00 0.00 176.35 175.85 1wbv s SER 56 N -0.08 6.36 -1.18 2.29 1.04 0.74 -4.44 113.70 118.44 1wbv s SER 56 Ca 0.52 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 57.03 1wbv s SER 56 Cb -0.35 -2.27 -0.02 0.00 0.10 0.00 0.00 66.02 63.47 1wbv s SER 56 CO 0.41 -0.41 0.78 0.54 0.98 0.00 0.00 173.24 175.54 1wbv n ARG 57 N 5.69 -2.63 0.23 4.02 1.74 -1.26 -4.77 116.66 119.68 1wbv n ARG 57 Ca -0.04 0.60 0.16 0.00 -0.77 0.00 0.00 57.85 57.80 1wbv n ARG 57 Cb 0.49 -4.85 0.78 0.00 -1.02 0.00 0.00 32.46 27.86 1wbv n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1wbv h PRO 58 N -1.70 0.00 -0.48 5.56 0.13 -1.81 -3.07 132.00 130.64 1wbv h PRO 58 Ca -0.64 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.17 1wbv h PRO 58 Cb 1.35 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.09 1wbv h PRO 58 CO 0.50 0.00 -0.97 1.19 -0.23 0.00 0.00 178.00 178.49 1wbv n PHE 59 N -2.67 1.59 0.24 1.56 3.72 -1.26 -2.72 117.46 117.92 1wbv n PHE 59 Ca -0.01 -1.98 0.12 0.00 -0.05 0.00 0.00 57.45 55.53 1wbv n PHE 59 Cb 0.14 -0.26 0.10 0.00 -0.94 0.00 0.00 39.48 38.51 1wbv n PHE 59 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1wbv h GLN 60 N 2.22 0.00 -4.19 -1.08 3.07 -1.89 -3.46 115.11 109.77 1wbv h GLN 60 Ca 0.04 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.58 1wbv h GLN 60 Cb 1.40 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 28.85 1wbv h GLN 60 CO 0.36 0.00 -0.35 -1.54 0.09 0.00 0.00 178.83 177.39 1wbv s SER 61 N -5.39 0.31 0.07 0.06 1.04 -1.26 -5.02 113.70 103.52 1wbv s SER 61 Ca 0.03 -1.27 -0.22 0.00 0.48 0.00 0.00 55.95 54.98 1wbv s SER 61 Cb 0.09 0.52 -0.12 0.00 0.10 0.00 0.00 66.02 66.61 1wbv s SER 61 CO 0.74 -1.05 1.59 0.40 0.98 0.00 0.00 173.24 175.90 1wbv h ILE 62 N 2.36 1.17 -0.33 -1.02 2.04 -1.94 -0.10 117.51 119.68 1wbv h ILE 62 Ca -0.30 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.10 1wbv h ILE 62 Cb 1.25 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 1wbv h ILE 62 CO 0.43 0.15 0.08 0.40 0.00 0.00 0.00 178.15 179.21 1wbv h ILE 63 N 0.03 0.85 -0.20 -0.67 5.03 -1.97 -0.29 117.51 120.30 1wbv h ILE 63 Ca 0.04 -0.07 -0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1wbv h ILE 63 Cb 0.20 0.63 -0.01 0.00 -3.03 0.00 0.00 36.82 34.61 1wbv h ILE 63 CO -0.00 0.04 0.10 0.45 -0.68 0.00 0.00 178.15 178.06 1wbv h HIS 64 N 0.20 0.27 -0.89 1.37 3.86 -1.83 -1.51 115.15 116.63 1wbv h HIS 64 Ca 0.16 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1wbv h HIS 64 Cb 0.16 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 1wbv h HIS 64 CO -0.17 0.26 0.56 0.00 0.86 0.00 0.00 177.93 179.45 1wbv h ALA 65 N 0.98 1.13 -0.47 2.45 0.00 -0.70 -0.98 119.26 121.67 1wbv h ALA 65 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1wbv h ALA 65 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1wbv h ALA 65 CO -0.01 0.56 -0.16 -0.22 0.00 0.00 0.00 179.25 179.42 1wbv h LYS 66 N 1.21 0.90 -0.49 0.00 3.64 -0.95 -2.16 116.57 118.72 1wbv h LYS 66 Ca 0.32 -0.34 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1wbv h LYS 66 Cb -0.10 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1wbv h LYS 66 CO -0.07 0.99 0.29 -0.09 -2.27 0.00 0.00 179.45 178.31 1wbv h ARG 67 N 0.80 0.56 -0.21 1.90 9.65 -0.89 0.57 114.38 126.75 1wbv h ARG 67 Ca 0.12 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1wbv h ARG 67 Cb 0.70 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1wbv h ARG 67 CO 0.05 0.37 0.11 1.15 2.80 0.00 0.00 179.97 184.45 1wbv h THR 68 N 0.57 1.12 -0.31 0.20 2.02 -1.05 -1.28 112.91 114.19 1wbv h THR 68 Ca 0.20 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1wbv h THR 68 Cb 0.03 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1wbv h THR 68 CO -0.10 0.11 0.18 0.22 0.37 0.00 0.00 175.52 176.30 1wbv h TYR 69 N 0.23 0.33 -0.17 3.16 3.20 -1.21 -2.27 116.97 120.23 1wbv h TYR 69 Ca 0.07 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1wbv h TYR 69 Cb 0.08 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 1wbv h TYR 69 CO -0.03 0.19 -0.15 -0.09 -1.64 0.00 0.00 178.16 176.44 1wbv h ARG 70 N 0.36 -0.16 -0.54 1.82 2.43 -0.70 0.16 114.38 117.75 1wbv h ARG 70 Ca 0.12 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1wbv h ARG 70 Cb 0.00 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1wbv h ARG 70 CO -0.06 -0.11 0.35 1.49 -1.51 0.00 0.00 179.97 180.13 1wbv h GLU 71 N -0.16 0.68 -0.47 0.20 4.81 -1.12 -0.73 114.58 117.78 1wbv h GLU 71 Ca 0.11 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1wbv h GLU 71 Cb 0.33 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1wbv h GLU 71 CO -0.27 0.45 0.15 1.25 -0.73 0.00 0.00 179.01 179.86 1wbv h LEU 72 N 0.70 0.68 -0.41 1.64 5.85 -1.12 -0.04 115.31 122.62 1wbv h LEU 72 Ca 0.21 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1wbv h LEU 72 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1wbv h LEU 72 CO -0.06 0.70 0.26 0.03 -0.34 0.00 0.00 178.44 179.03 1wbv h ARG 73 N 0.63 0.52 0.30 1.25 2.47 -0.73 0.01 114.38 118.83 1wbv h ARG 73 Ca 0.15 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1wbv h ARG 73 Cb 0.26 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1wbv h ARG 73 CO -0.01 0.35 -0.14 -0.07 0.56 0.00 0.00 179.97 180.66 1wbv h LEU 74 N 0.54 -0.34 -0.71 3.04 4.07 -0.95 -2.53 115.31 118.43 1wbv h LEU 74 Ca 0.15 -0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.09 1wbv h LEU 74 Cb -0.05 0.09 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1wbv h LEU 74 CO -0.04 -0.14 0.43 -0.07 -1.08 0.00 0.00 178.44 177.53 1wbv h LEU 75 N -0.52 0.67 -1.61 1.67 4.07 -0.92 -1.25 115.31 117.42 1wbv h LEU 75 Ca -0.04 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 1wbv h LEU 75 Cb 0.39 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 1wbv h LEU 75 CO 0.07 0.45 -0.05 0.11 -1.08 0.00 0.00 178.44 177.94 1wbv h LYS 76 N 0.81 0.18 -0.02 1.13 1.57 -1.00 -3.18 116.57 116.06 1wbv h LYS 76 Ca 0.30 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.81 1wbv h LYS 76 Cb 0.10 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1wbv h LYS 76 CO -0.14 0.25 -0.95 1.25 -0.57 0.00 0.00 179.45 179.29 1wbv h HIS 77 N 0.18 0.85 -3.28 -1.35 2.76 -0.80 -3.45 115.15 110.06 1wbv h HIS 77 Ca 0.04 -0.45 -0.57 0.00 -2.20 0.00 0.00 60.37 57.20 1wbv h HIS 77 Cb 0.22 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.02 1wbv h HIS 77 CO 0.00 1.27 0.95 -1.64 -1.30 0.00 0.00 177.93 177.22 1wbv s MET 78 N -3.37 3.87 -0.46 5.26 -1.94 -0.76 -4.95 119.30 116.94 1wbv s MET 78 Ca -0.08 1.07 0.03 0.00 -1.71 0.00 0.00 55.69 55.01 1wbv s MET 78 Cb 0.08 -3.88 0.16 0.00 2.01 0.00 0.00 34.83 33.20 1wbv s MET 78 CO 0.89 -1.18 0.33 0.15 -0.01 0.00 0.00 175.02 175.21 1wbv s LYS 79 N 4.21 1.23 -0.12 2.03 1.02 -1.26 -4.55 119.74 122.29 1wbv s LYS 79 Ca 0.54 -2.21 -0.16 0.00 0.02 0.00 0.00 55.97 54.15 1wbv s LYS 79 Cb -0.14 -1.97 0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1wbv s LYS 79 CO 0.24 -1.30 0.43 -1.58 -0.92 0.00 0.00 175.35 172.22 1wbv s HIS 80 N -0.03 -0.43 0.47 3.18 2.46 -1.26 -5.05 115.29 114.63 1wbv s HIS 80 Ca 0.26 0.98 0.19 0.00 0.47 0.00 0.00 55.06 56.96 1wbv s HIS 80 Cb -0.07 0.17 1.19 0.00 -0.13 0.00 0.00 32.58 33.73 1wbv s HIS 80 CO -0.12 -0.29 1.96 0.93 -2.47 0.00 0.00 174.74 174.75 1wbv h GLU 81 N 4.93 0.24 -0.55 2.88 5.08 -1.98 -2.33 114.58 122.84 1wbv h GLU 81 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1wbv h GLU 81 Cb 1.18 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wbv h GLU 81 CO 0.28 0.16 0.00 0.09 -1.00 0.00 0.00 179.01 178.54 1wbv n ASN 82 N -4.44 5.47 -3.99 1.42 5.03 -1.26 -4.71 115.26 112.78 1wbv n ASN 82 Ca 0.11 -2.89 -0.14 0.00 0.87 0.00 0.00 54.58 52.53 1wbv n ASN 82 Cb 0.53 -0.66 -0.13 0.00 -1.02 0.00 0.00 39.78 38.49 1wbv n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wbv s VAL 83 N -2.68 0.41 0.18 2.41 1.01 -0.88 -0.65 120.40 120.21 1wbv s VAL 83 Ca 0.53 -0.58 -0.32 0.00 0.00 0.00 0.00 61.98 61.60 1wbv s VAL 83 Cb 0.40 -0.42 -0.16 0.00 0.00 0.00 0.00 36.38 36.21 1wbv s VAL 83 CO 0.16 -0.13 1.16 0.00 0.00 0.00 0.00 175.10 176.29 1wbv n ILE 84 N 2.29 0.96 -4.42 2.22 3.06 -0.45 -4.54 119.36 118.48 1wbv n ILE 84 Ca -0.17 -0.24 -0.31 0.00 -2.50 0.00 0.00 62.75 59.53 1wbv n ILE 84 Cb 0.57 -0.86 -0.11 0.00 0.54 0.00 0.00 39.64 39.78 1wbv n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 1wbv s GLY 85 N -0.03 1.74 -0.38 4.50 0.00 -1.26 -4.76 107.32 107.12 1wbv s GLY 85 Ca 0.72 -1.12 -0.21 0.00 0.00 0.00 0.00 44.72 44.12 1wbv s GLY 85 CO 0.53 -1.02 0.66 -2.27 0.00 0.00 0.00 173.10 171.00 1wbv s LEU 86 N -1.68 4.30 0.10 0.66 0.20 -1.26 -4.51 118.68 116.49 1wbv s LEU 86 Ca 0.18 0.03 -0.05 0.00 0.69 0.00 0.00 54.13 54.98 1wbv s LEU 86 Cb -0.11 -2.81 -0.20 0.00 -0.43 0.00 0.00 46.19 42.64 1wbv s LEU 86 CO 0.09 -0.68 1.21 -0.07 -0.29 0.00 0.00 176.35 176.61 1wbv h LEU 87 N 9.55 0.52 -7.00 -0.68 3.38 -1.39 -3.42 115.31 116.26 1wbv h LEU 87 Ca -0.26 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.24 1wbv h LEU 87 Cb 1.10 -0.16 -0.19 0.00 0.09 0.00 0.00 40.66 41.50 1wbv h LEU 87 CO 0.87 1.33 0.35 -0.62 0.09 0.00 0.00 178.44 180.46 1wbv s ASP 88 N -7.16 -0.52 -0.02 -0.43 2.15 -1.12 -4.63 116.67 104.94 1wbv s ASP 88 Ca -0.05 0.46 -0.02 0.00 0.43 0.00 0.00 52.55 53.37 1wbv s ASP 88 Cb 0.08 0.44 0.01 0.00 -0.30 0.00 0.00 42.92 43.15 1wbv s ASP 88 CO 0.88 -0.55 0.06 0.54 -0.17 0.00 0.00 175.17 175.93 1wbv s VAL 89 N -1.61 -0.00 0.18 1.11 0.11 -1.26 -1.03 120.40 117.90 1wbv s VAL 89 Ca -0.05 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.85 1wbv s VAL 89 Cb -0.00 -0.09 0.03 0.00 -1.53 0.00 0.00 36.38 34.78 1wbv s VAL 89 CO 0.03 0.00 0.48 0.72 -3.33 0.00 0.00 175.10 173.01 1wbv s PHE 90 N 0.09 -0.09 -0.02 1.54 -0.12 -0.90 -4.96 117.98 113.51 1wbv s PHE 90 Ca -0.00 -0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 56.60 1wbv s PHE 90 Cb -0.01 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.72 1wbv s PHE 90 CO -0.00 -0.87 0.08 -0.08 -0.05 0.00 0.00 175.22 174.30 1wbv s THR 91 N -3.87 0.02 -1.10 -4.49 -1.32 -1.26 -1.51 115.64 102.11 1wbv s THR 91 Ca 0.09 -0.14 0.12 0.00 -1.21 0.00 0.00 61.69 60.56 1wbv s THR 91 Cb -0.00 -0.16 0.13 0.00 -1.51 0.00 0.00 72.50 70.96 1wbv s THR 91 CO -0.04 -0.07 1.38 -0.81 -2.21 0.00 0.00 174.62 172.86 1wbv n PRO 92 N 2.78 0.04 -2.15 7.08 -0.04 -1.26 -4.85 135.00 136.60 1wbv n PRO 92 Ca -0.14 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.17 1wbv n PRO 92 Cb 0.59 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1wbv n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wbv s ALA 93 N -2.90 3.50 -0.97 0.55 0.00 -1.26 -4.93 121.76 115.74 1wbv s ALA 93 Ca 0.07 1.22 0.22 0.00 0.00 0.00 0.00 51.96 53.47 1wbv s ALA 93 Cb 0.08 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.77 1wbv s ALA 93 CO 0.22 -0.59 1.08 0.54 0.00 0.00 0.00 175.76 177.01 1wbv n ARG 94 N 1.05 0.02 -3.71 0.00 1.74 -1.26 -4.97 116.66 109.52 1wbv n ARG 94 Ca 0.01 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 1wbv n ARG 94 Cb 0.42 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.31 1wbv n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wbv s SER 95 N -3.06 -0.23 0.33 0.55 1.04 -1.26 -5.04 113.70 106.03 1wbv s SER 95 Ca 0.09 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1wbv s SER 95 Cb 0.16 0.52 0.59 0.00 0.10 0.00 0.00 66.02 67.40 1wbv s SER 95 CO 0.81 -0.96 1.95 0.25 0.98 0.00 0.00 173.24 176.27 1wbv h LEU 96 N 2.29 0.82 -0.98 2.42 5.85 -1.96 -2.24 115.31 121.51 1wbv h LEU 96 Ca -0.31 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1wbv h LEU 96 Cb 1.26 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 1wbv h LEU 96 CO 0.42 0.55 0.63 -0.33 -0.34 0.00 0.00 178.44 179.37 1wbv h GLU 97 N 0.94 1.14 -0.08 1.25 3.07 -2.01 -2.33 114.58 116.55 1wbv h GLU 97 Ca 0.33 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1wbv h GLU 97 Cb 0.11 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1wbv h GLU 97 CO -0.10 0.75 0.00 -0.85 -1.40 0.00 0.00 179.01 177.41 1wbv n GLU 98 N -4.50 2.21 -1.78 2.33 0.28 -1.03 -4.94 120.64 113.21 1wbv n GLU 98 Ca 0.14 -1.78 -0.42 0.00 -0.16 0.00 0.00 57.16 54.94 1wbv n GLU 98 Cb 0.15 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.53 1wbv n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1wbv s PHE 99 N -1.92 1.44 0.00 -1.84 5.36 -0.87 -4.76 117.98 115.39 1wbv s PHE 99 Ca 0.32 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 56.93 1wbv s PHE 99 Cb 0.20 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 1wbv s PHE 99 CO 0.31 -3.45 0.02 0.09 -1.46 0.00 0.00 175.22 170.72 1wbv n ASN 100 N 11.42 0.03 -3.96 6.13 3.02 -1.26 -5.04 115.26 125.60 1wbv n ASN 100 Ca 0.27 -0.39 -0.15 0.00 -0.03 0.00 0.00 54.58 54.28 1wbv n ASN 100 Cb 0.47 0.06 -0.14 0.00 -0.61 0.00 0.00 39.78 39.56 1wbv n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wbv s ASP 101 N -0.06 0.55 -0.05 6.41 1.01 -1.26 -4.59 116.67 118.68 1wbv s ASP 101 Ca 0.00 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.13 1wbv s ASP 101 Cb 0.00 -0.04 0.01 0.00 1.01 0.00 0.00 42.92 43.90 1wbv s ASP 101 CO 0.00 0.01 -0.11 -0.69 0.21 0.00 0.00 175.17 174.59 1wbv s VAL 102 N -0.31 1.03 -0.04 -1.27 1.01 -1.26 -4.50 120.40 115.06 1wbv s VAL 102 Ca -0.00 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1wbv s VAL 102 Cb -0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1wbv s VAL 102 CO -0.00 0.32 -0.24 -0.31 0.00 0.00 0.00 175.10 174.87 1wbv s TYR 103 N 0.43 2.26 -0.04 5.22 1.51 -0.57 -1.54 117.35 124.62 1wbv s TYR 103 Ca -0.09 -0.55 0.07 0.00 -1.01 0.00 0.00 57.07 55.49 1wbv s TYR 103 Cb -0.13 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 1wbv s TYR 103 CO 0.02 -0.12 -0.25 -0.51 -1.11 0.00 0.00 175.55 173.58 1wbv s LEU 104 N -0.36 2.09 -0.08 -1.29 1.43 0.39 -2.11 118.68 118.75 1wbv s LEU 104 Ca 0.03 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1wbv s LEU 104 Cb -0.11 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 1wbv s LEU 104 CO 0.01 0.29 -0.21 -0.69 0.23 0.00 0.00 176.35 175.98 1wbv s VAL 105 N -0.42 1.84 0.28 -1.59 1.01 -0.20 -0.08 120.40 121.24 1wbv s VAL 105 Ca 0.04 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wbv s VAL 105 Cb -0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 1wbv s VAL 105 CO 0.01 0.51 0.27 0.28 0.00 0.00 0.00 175.10 176.18 1wbv s THR 106 N 0.27 0.00 0.38 3.92 -1.32 -0.49 -0.91 115.64 117.48 1wbv s THR 106 Ca -0.14 -1.89 -0.28 0.00 -1.21 0.00 0.00 61.69 58.18 1wbv s THR 106 Cb -0.16 -2.50 -0.11 0.00 -1.51 0.00 0.00 72.50 68.22 1wbv s THR 106 CO 0.06 0.00 1.48 -1.00 -2.21 0.00 0.00 174.62 172.95 1wbv s HIS 107 N -3.69 2.61 -0.06 9.09 3.76 -1.26 -0.32 115.29 125.43 1wbv s HIS 107 Ca 0.37 1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 56.17 1wbv s HIS 107 Cb 0.03 -4.00 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 1wbv s HIS 107 CO 0.19 -2.93 1.36 -1.17 -0.85 0.00 0.00 174.74 171.34 1wbv s LEU 108 N -2.09 4.28 0.00 0.89 2.96 -0.45 -4.36 118.68 119.90 1wbv s LEU 108 Ca 0.53 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1wbv s LEU 108 Cb -0.46 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.68 1wbv s LEU 108 CO 0.63 -0.73 0.68 0.80 -1.32 0.00 0.00 176.35 176.41 1wbv n MET 109 N 5.85 0.00 0.00 1.98 0.00 -1.26 -4.92 117.12 118.77 1wbv n MET 109 Ca 0.13 0.32 0.00 0.00 -0.00 0.00 0.00 57.70 58.15 1wbv n MET 109 Cb 0.44 -1.24 0.00 0.00 0.00 0.00 0.00 33.22 32.43 1wbv n MET 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1wbv n GLY 110 N -0.31 0.91 3.86 -5.12 0.00 -1.26 -4.84 105.19 98.43 1wbv n GLY 110 Ca 0.00 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 1wbv n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbv s ALA 111 N -1.67 3.66 0.45 4.61 0.00 -1.25 -5.01 121.76 122.53 1wbv s ALA 111 Ca 0.00 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.77 1wbv s ALA 111 Cb 0.00 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.73 1wbv s ALA 111 CO 0.00 0.51 0.42 0.16 0.00 0.00 0.00 175.76 176.86 1wbv s ASP 112 N -1.72 5.02 0.44 0.00 1.47 -1.26 -1.00 116.67 119.62 1wbv s ASP 112 Ca 0.35 -0.81 0.23 0.00 1.18 0.00 0.00 52.55 53.50 1wbv s ASP 112 Cb -0.14 -0.37 0.97 0.00 -0.34 0.00 0.00 42.92 43.04 1wbv s ASP 112 CO 0.18 -0.78 1.85 0.25 0.68 0.00 0.00 175.17 177.36 1wbv h LEU 113 N 0.91 0.00 -0.42 2.11 5.85 -0.88 -2.50 115.31 120.38 1wbv h LEU 113 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1wbv h LEU 113 Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1wbv h LEU 113 CO 0.56 0.24 0.23 -1.13 -0.34 0.00 0.00 178.44 177.99 1wbv h ASN 114 N 0.00 0.52 1.17 1.25 -1.24 -1.85 -0.08 115.58 115.35 1wbv h ASN 114 Ca -0.00 -0.08 -0.12 0.00 0.71 0.00 0.00 56.30 56.81 1wbv h ASN 114 Cb 0.70 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.60 1wbv h ASN 114 CO 0.03 0.45 -0.55 -0.55 -1.29 0.00 0.00 177.43 175.52 1wbv h ASN 115 N 0.54 0.00 0.97 1.15 -0.00 -1.85 -2.38 115.58 114.01 1wbv h ASN 115 Ca 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.40 1wbv h ASN 115 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.37 1wbv h ASN 115 CO -0.02 0.55 -0.49 0.40 -0.00 0.00 0.00 177.43 177.87 1wbv h ILE 116 N 0.00 0.01 -0.40 6.14 1.08 -1.21 -0.95 117.51 122.18 1wbv h ILE 116 Ca -0.01 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.43 1wbv h ILE 116 Cb 1.29 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1wbv h ILE 116 CO 0.07 0.00 0.12 1.62 -0.69 0.00 0.00 178.15 179.27 1wbv h VAL 117 N -1.33 1.17 0.02 1.67 3.04 -1.04 -0.74 116.25 119.04 1wbv h VAL 117 Ca -0.13 -0.58 -0.22 0.00 -1.01 0.00 0.00 66.70 64.76 1wbv h VAL 117 Cb 1.03 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.04 1wbv h VAL 117 CO 0.20 0.22 -0.96 0.11 -1.01 0.00 0.00 177.57 176.13 1wbv h LYS 118 N 0.57 0.24 -0.00 4.17 1.79 -1.45 -3.38 116.57 118.51 1wbv h LYS 118 Ca 0.14 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1wbv h LYS 118 Cb 0.18 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1wbv h LYS 118 CO -0.01 1.03 -0.62 0.00 -1.08 0.00 0.00 179.45 178.77 1wbv s GLN 120 N -2.35 0.73 -0.12 0.00 -2.07 -0.31 -5.04 119.66 110.50 1wbv s GLN 120 Ca 0.09 -1.22 -0.23 0.00 -1.82 0.00 0.00 55.36 52.18 1wbv s GLN 120 Cb 0.13 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.26 1wbv s GLN 120 CO 0.59 -0.18 0.69 0.15 -1.32 0.00 0.00 175.29 175.22 1wbv s LYS 121 N -3.94 4.36 -0.19 9.60 1.02 -1.26 -4.72 119.74 124.61 1wbv s LYS 121 Ca 0.10 0.82 -0.04 0.00 0.02 0.00 0.00 55.97 56.87 1wbv s LYS 121 Cb 0.07 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.86 1wbv s LYS 121 CO -0.07 -0.07 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.76 1wbv s LEU 122 N 1.27 3.16 0.80 3.17 1.43 -1.26 -5.10 118.68 122.15 1wbv s LEU 122 Ca 0.35 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 1wbv s LEU 122 Cb -0.17 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.33 1wbv s LEU 122 CO 0.15 0.07 1.16 0.42 0.23 0.00 0.00 176.35 178.39 1wbv s THR 123 N 0.93 2.15 0.40 5.49 -4.23 -1.26 -4.91 115.64 114.21 1wbv s THR 123 Ca 0.00 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.61 1wbv s THR 123 Cb -0.14 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 70.90 1wbv s THR 123 CO 0.01 -0.06 2.04 -0.78 -0.54 0.00 0.00 174.62 175.29 1wbv h ASP 124 N -1.00 0.46 -0.45 3.99 3.58 -1.99 -1.64 116.42 119.37 1wbv h ASP 124 Ca -0.46 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 1wbv h ASP 124 Cb 1.32 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.23 1wbv h ASP 124 CO 0.66 0.37 0.16 -0.78 -2.88 0.00 0.00 179.24 176.76 1wbv h ASP 125 N 0.54 0.70 -0.43 2.28 3.58 -1.99 -0.72 116.42 120.37 1wbv h ASP 125 Ca 0.14 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.35 1wbv h ASP 125 Cb -0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1wbv h ASP 125 CO -0.03 0.67 -0.27 0.45 -2.88 0.00 0.00 179.24 177.18 1wbv h HIS 126 N 0.74 1.11 -0.12 0.28 3.86 -1.68 -2.29 115.15 117.06 1wbv h HIS 126 Ca 0.17 -0.29 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1wbv h HIS 126 Cb 0.22 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1wbv h HIS 126 CO 0.01 1.11 0.04 0.28 0.86 0.00 0.00 177.93 180.23 1wbv h VAL 127 N 0.81 1.18 -0.54 2.45 2.07 -1.08 -0.41 116.25 120.73 1wbv h VAL 127 Ca 0.09 -0.54 0.11 0.00 0.82 0.00 0.00 66.70 67.18 1wbv h VAL 127 Cb 0.85 1.32 -0.10 0.00 -1.52 0.00 0.00 31.29 31.85 1wbv h VAL 127 CO 0.08 0.16 -0.09 1.56 0.02 0.00 0.00 177.57 179.30 1wbv h GLN 128 N 0.00 0.04 -0.15 1.57 4.20 -1.11 -0.06 115.11 119.60 1wbv h GLN 128 Ca 0.04 -0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 1wbv h GLN 128 Cb 0.22 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1wbv h GLN 128 CO -0.00 0.02 -0.21 0.35 -0.67 0.00 0.00 178.83 178.33 1wbv h PHE 129 N 0.04 0.49 -0.11 2.96 3.57 -1.20 -0.25 116.94 122.45 1wbv h PHE 129 Ca 0.27 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1wbv h PHE 129 Cb 0.41 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1wbv h PHE 129 CO -0.41 0.82 0.06 -0.07 -2.23 0.00 0.00 178.31 176.49 1wbv h LEU 130 N 0.02 0.13 -0.63 0.59 3.38 -0.88 -2.33 115.31 115.59 1wbv h LEU 130 Ca 0.02 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1wbv h LEU 130 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1wbv h LEU 130 CO 0.05 0.16 -0.29 0.40 0.09 0.00 0.00 178.44 178.85 1wbv h ILE 131 N 0.09 1.28 -0.58 1.22 1.08 -1.04 -2.38 117.51 117.18 1wbv h ILE 131 Ca 0.04 -1.43 0.10 0.00 -0.39 0.00 0.00 64.86 63.18 1wbv h ILE 131 Cb 0.06 1.32 -0.08 0.00 -3.07 0.00 0.00 36.82 35.04 1wbv h ILE 131 CO -0.01 0.47 0.15 0.22 -0.69 0.00 0.00 178.15 178.30 1wbv h TYR 132 N 0.64 0.25 -0.33 1.37 3.20 -0.92 -0.91 116.97 120.27 1wbv h TYR 132 Ca 0.08 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 1wbv h TYR 132 Cb 0.82 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 1wbv h TYR 132 CO 0.04 0.01 -0.44 1.96 -1.64 0.00 0.00 178.16 178.09 1wbv h GLN 133 N 0.30 0.86 -0.23 1.82 4.20 -1.20 0.81 115.11 121.67 1wbv h GLN 133 Ca 0.30 -0.48 0.03 0.00 0.06 0.00 0.00 58.65 58.56 1wbv h GLN 133 Cb 0.42 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1wbv h GLN 133 CO -0.36 1.12 0.05 0.82 -0.67 0.00 0.00 178.83 179.79 1wbv h ILE 134 N 0.69 0.90 -0.28 2.54 2.04 -1.06 -1.63 117.51 120.71 1wbv h ILE 134 Ca 0.04 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1wbv h ILE 134 Cb 1.03 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1wbv h ILE 134 CO 0.10 0.03 -0.15 -0.07 0.00 0.00 0.00 178.15 178.05 1wbv h LEU 135 N 0.15 0.48 -0.34 1.44 3.38 -0.87 -0.27 115.31 119.28 1wbv h LEU 135 Ca 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wbv h LEU 135 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1wbv h LEU 135 CO -0.13 0.66 0.20 -0.09 0.09 0.00 0.00 178.44 179.16 1wbv h ARG 136 N 0.45 0.46 -0.58 1.13 2.43 -0.69 0.33 114.38 117.91 1wbv h ARG 136 Ca 0.08 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1wbv h ARG 136 Cb 0.53 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1wbv h ARG 136 CO 0.03 0.36 0.10 0.78 -1.51 0.00 0.00 179.97 179.74 1wbv h GLY 137 N 0.43 1.03 1.06 2.80 0.00 -0.96 -2.88 103.07 104.55 1wbv h GLY 137 Ca 0.12 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1wbv h GLY 137 CO -0.02 0.63 0.02 1.41 0.00 0.00 0.00 176.54 178.58 1wbv h LEU 138 N 0.86 0.99 -0.67 3.11 4.07 -0.95 -0.54 115.31 122.18 1wbv h LEU 138 Ca 0.18 -0.30 0.11 0.00 0.08 0.00 0.00 57.88 57.95 1wbv h LEU 138 Cb 0.41 -0.27 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 1wbv h LEU 138 CO 0.01 1.04 0.26 0.50 -1.08 0.00 0.00 178.44 179.17 1wbv h LYS 139 N 0.91 0.42 0.65 1.13 3.64 -0.88 0.74 116.57 123.18 1wbv h LYS 139 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1wbv h LYS 139 Cb 0.52 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1wbv h LYS 139 CO 0.03 0.28 -0.31 -0.92 -2.27 0.00 0.00 179.45 176.25 1wbv h TYR 140 N 0.44 -0.81 -0.71 1.91 5.03 -1.22 -1.32 116.97 120.27 1wbv h TYR 140 Ca 0.35 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.57 1wbv h TYR 140 Cb 0.46 0.27 -0.03 0.00 1.55 0.00 0.00 36.73 38.98 1wbv h TYR 140 CO -0.17 -0.48 0.20 -0.84 -1.32 0.00 0.00 178.16 175.55 1wbv h ILE 141 N -0.97 1.26 -0.16 1.81 3.07 -0.89 -2.66 117.51 118.97 1wbv h ILE 141 Ca -0.09 -0.94 -0.06 0.00 1.55 0.00 0.00 64.86 65.32 1wbv h ILE 141 Cb 0.70 0.51 -0.01 0.00 -0.27 0.00 0.00 36.82 37.75 1wbv h ILE 141 CO 0.15 0.37 -0.15 0.45 -1.05 0.00 0.00 178.15 177.91 1wbv h HIS 142 N 1.07 0.27 0.00 0.16 3.86 -0.87 -1.00 115.15 118.64 1wbv h HIS 142 Ca 0.23 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1wbv h HIS 142 Cb 0.35 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1wbv h HIS 142 CO 0.03 0.40 -0.01 0.66 0.86 0.00 0.00 177.93 179.88 1wbv h SER 143 N 0.24 0.00 -0.67 2.45 4.64 -0.87 -0.82 113.55 118.52 1wbv h SER 143 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1wbv h SER 143 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1wbv h SER 143 CO 0.03 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 1wbv n ALA 144 N -2.11 2.39 -2.95 5.18 0.00 -0.43 -4.78 120.51 117.81 1wbv n ALA 144 Ca -0.02 -1.23 -0.22 0.00 0.00 0.00 0.00 53.44 51.97 1wbv n ALA 144 Cb 0.12 -0.93 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1wbv n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wbv n ASP 145 N 1.62 -5.70 -4.66 0.00 8.00 -0.31 -4.54 116.55 110.95 1wbv n ASP 145 Ca 0.24 -0.24 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 1wbv n ASP 145 Cb 0.62 -4.64 -0.09 0.00 -0.02 0.00 0.00 41.12 36.98 1wbv n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wbv s ILE 146 N -3.10 5.13 -0.11 0.53 1.01 -0.88 -5.02 121.20 118.74 1wbv s ILE 146 Ca 0.26 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1wbv s ILE 146 Cb -0.12 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1wbv s ILE 146 CO 0.32 0.41 -0.12 -0.63 0.00 0.00 0.00 174.94 174.93 1wbv s ILE 147 N 0.63 3.17 -0.05 2.92 1.01 -1.26 -3.64 121.20 123.98 1wbv s ILE 147 Ca 0.06 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1wbv s ILE 147 Cb -0.12 -2.32 -0.14 0.00 0.01 0.00 0.00 42.46 39.89 1wbv s ILE 147 CO 0.01 0.54 0.77 -0.74 0.00 0.00 0.00 174.94 175.52 1wbv h HIS 148 N 6.35 -0.23 0.00 3.97 -0.00 -1.98 -3.47 115.15 119.79 1wbv h HIS 148 Ca -0.31 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 1wbv h HIS 148 Cb 1.20 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.68 1wbv h HIS 148 CO 0.51 0.16 0.00 0.54 -0.00 0.00 0.00 177.93 179.14 1wbv n ARG 149 N -4.94 0.00 -2.67 5.26 1.74 -1.26 -4.77 116.66 110.02 1wbv n ARG 149 Ca -0.07 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.94 1wbv n ARG 149 Cb 0.25 -1.61 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1wbv n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wbv n ASP 150 N 0.00 2.14 -4.70 0.55 2.03 -1.26 -4.98 116.55 110.33 1wbv n ASP 150 Ca 0.00 -2.51 -0.42 0.00 0.52 0.00 0.00 54.79 52.38 1wbv n ASP 150 Cb 0.00 -0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.90 1wbv n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wbv s LEU 151 N -3.59 4.34 0.12 -2.67 1.43 -1.26 -4.88 118.68 112.18 1wbv s LEU 151 Ca 0.31 2.21 -0.24 0.00 -1.03 0.00 0.00 54.13 55.38 1wbv s LEU 151 Cb 0.37 -3.57 0.08 0.00 0.03 0.00 0.00 46.19 43.10 1wbv s LEU 151 CO -0.02 -0.70 0.68 -1.59 0.23 0.00 0.00 176.35 174.96 1wbv s LYS 152 N 1.89 1.18 0.46 1.70 -2.85 -1.26 -4.81 119.74 116.04 1wbv s LYS 152 Ca 0.65 -0.45 0.22 0.00 -1.00 0.00 0.00 55.97 55.39 1wbv s LYS 152 Cb -0.34 0.53 1.22 0.00 -2.06 0.00 0.00 37.83 37.18 1wbv s LYS 152 CO 0.28 -0.52 1.88 -1.35 0.10 0.00 0.00 175.35 175.75 1wbv h PRO 153 N 2.00 0.25 0.00 1.78 0.11 -1.95 -0.25 132.00 133.95 1wbv h PRO 153 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1wbv h PRO 153 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wbv h PRO 153 CO 0.36 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.18 1wbv n SER 154 N -4.43 0.43 -1.50 -2.05 3.41 -1.26 -2.35 113.62 105.87 1wbv n SER 154 Ca 0.18 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.48 1wbv n SER 154 Cb 0.76 -0.69 0.34 0.00 -0.26 0.00 0.00 64.21 64.36 1wbv n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wbv n ASN 155 N -1.96 4.64 -3.99 4.04 3.02 -0.11 -4.86 115.26 116.05 1wbv n ASN 155 Ca 0.03 -2.47 -0.31 0.00 -0.03 0.00 0.00 54.58 51.80 1wbv n ASN 155 Cb 0.23 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 38.68 1wbv n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wbv s LEU 156 N -1.88 2.40 0.00 3.41 1.43 -0.99 -1.32 118.68 121.73 1wbv s LEU 156 Ca 0.49 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 52.45 1wbv s LEU 156 Cb 0.32 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 45.24 1wbv s LEU 156 CO 0.23 -0.16 0.49 0.00 0.23 0.00 0.00 176.35 177.14 1wbv s ALA 157 N 1.38 3.60 -0.05 4.21 0.00 -0.19 -1.06 121.76 129.65 1wbv s ALA 157 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1wbv s ALA 157 Cb -0.17 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.42 1wbv s ALA 157 CO -0.08 0.34 -0.03 0.08 0.00 0.00 0.00 175.76 176.07 1wbv s VAL 158 N -0.70 0.46 0.71 0.00 1.01 -0.17 -1.24 120.40 120.47 1wbv s VAL 158 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1wbv s VAL 158 Cb -0.18 -0.53 0.15 0.00 0.00 0.00 0.00 36.38 35.83 1wbv s VAL 158 CO 0.15 0.23 0.98 -0.46 0.00 0.00 0.00 175.10 175.99 1wbv n ASN 159 N 4.34 0.91 0.23 3.32 0.23 -0.63 -3.95 115.26 119.71 1wbv n ASN 159 Ca -0.21 -1.86 0.09 0.00 -0.53 0.00 0.00 54.58 52.07 1wbv n ASN 159 Cb 0.51 -0.67 0.56 0.00 -2.08 0.00 0.00 39.78 38.09 1wbv n ASN 159 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1wbv h GLU 160 N 0.00 0.00 -0.20 -3.83 4.81 -1.97 -1.60 114.58 111.78 1wbv h GLU 160 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1wbv h GLU 160 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1wbv h GLU 160 CO 0.31 0.22 0.00 -0.25 -0.73 0.00 0.00 179.01 178.56 1wbv n ASP 161 N -3.71 1.09 -0.79 1.04 8.00 -1.26 -4.91 116.55 116.00 1wbv n ASP 161 Ca -0.01 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.39 1wbv n ASP 161 Cb 0.33 -0.14 -0.04 0.00 -0.02 0.00 0.00 41.12 41.25 1wbv n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wbv s GLU 163 N -2.87 4.43 0.04 0.00 2.02 -1.26 -4.77 118.70 116.30 1wbv s GLU 163 Ca 0.00 0.96 0.09 0.00 0.02 0.00 0.00 54.97 56.03 1wbv s GLU 163 Cb 0.00 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 1wbv s GLU 163 CO 0.00 0.38 -0.25 -1.17 0.02 0.00 0.00 175.26 174.24 1wbv s LEU 164 N -0.33 2.24 0.00 1.80 0.20 -1.26 -1.61 118.68 119.72 1wbv s LEU 164 Ca 0.35 -0.56 0.04 0.00 0.69 0.00 0.00 54.13 54.65 1wbv s LEU 164 Cb -0.20 -1.33 -0.01 0.00 -0.43 0.00 0.00 46.19 44.22 1wbv s LEU 164 CO 0.21 0.26 -0.11 -0.54 -0.29 0.00 0.00 176.35 175.88 1wbv s LYS 165 N -1.24 0.88 -0.12 1.98 1.02 -0.37 -4.27 119.74 117.60 1wbv s LYS 165 Ca 0.12 -0.48 -0.22 0.00 0.02 0.00 0.00 55.97 55.41 1wbv s LYS 165 Cb -0.10 -0.85 -0.03 0.00 -0.52 0.00 0.00 37.83 36.33 1wbv s LYS 165 CO 0.02 0.23 0.66 0.42 -0.92 0.00 0.00 175.35 175.76 1wbv s ILE 166 N -0.43 5.04 0.06 2.17 1.01 0.18 -1.03 121.20 128.21 1wbv s ILE 166 Ca 0.03 1.31 0.01 0.00 0.00 0.00 0.00 60.65 62.00 1wbv s ILE 166 Cb -0.05 -3.99 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 1wbv s ILE 166 CO -0.00 0.20 0.03 0.00 0.00 0.00 0.00 174.94 175.17 1wbv n LEU 167 N 4.30 0.00 -3.51 2.97 -0.00 -0.43 -1.34 117.00 118.98 1wbv n LEU 167 Ca -0.02 -0.47 -0.22 0.00 -0.00 0.00 0.00 56.01 55.30 1wbv n LEU 167 Cb 0.51 0.20 -0.14 0.00 -0.00 0.00 0.00 43.42 43.99 1wbv n LEU 167 CO 0.46 -0.08 -0.25 -0.62 -0.00 0.00 0.00 177.39 176.90 1wbv s ASP 168 N -1.37 2.11 0.27 1.45 -1.08 -1.26 -4.75 116.67 112.04 1wbv s ASP 168 Ca 0.04 -0.64 0.14 0.00 -0.52 0.00 0.00 52.55 51.58 1wbv s ASP 168 Cb 0.00 0.11 0.08 0.00 -1.46 0.00 0.00 42.92 41.65 1wbv s ASP 168 CO 0.03 -0.37 1.45 -0.26 0.52 0.00 0.00 175.17 176.54 1wbv h PHE 169 N 8.35 0.00 0.00 -5.34 0.04 -1.92 -3.46 116.94 114.61 1wbv h PHE 169 Ca -0.17 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.60 1wbv h PHE 169 Cb 1.11 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 1wbv h PHE 169 CO 0.20 0.56 0.38 0.41 -0.60 0.00 0.00 178.31 179.26 1wbv n GLY 170 N 1.16 -0.01 0.12 -1.45 0.00 -1.26 -4.66 105.19 99.10 1wbv n GLY 170 Ca 0.02 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1wbv n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wbv h LEU 171 N 3.25 0.00-10.34 0.99 3.38 -1.97 -3.46 115.31 107.16 1wbv h LEU 171 Ca 0.00 -0.03 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 1wbv h LEU 171 Cb 0.36 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.16 1wbv h LEU 171 CO 0.37 0.01 0.37 0.00 0.09 0.00 0.00 178.44 179.28 1wbv s ALA 172 N -3.13 3.14 -1.98 1.53 0.00 -1.26 -1.80 121.76 118.26 1wbv s ALA 172 Ca 0.09 -0.14 0.29 0.00 0.00 0.00 0.00 51.96 52.21 1wbv s ALA 172 Cb 0.11 -3.01 1.36 0.00 0.00 0.00 0.00 23.12 21.58 1wbv s ALA 172 CO 0.63 -0.61 1.93 -2.13 0.00 0.00 0.00 175.76 175.57 1wbv n ARG 173 N -2.60 1.04 -3.39 0.00 0.63 -1.26 -4.94 116.66 106.14 1wbv n ARG 173 Ca 0.05 -0.37 -0.17 0.00 -0.92 0.00 0.00 57.85 56.44 1wbv n ARG 173 Cb 0.54 -1.49 0.07 0.00 0.45 0.00 0.00 32.46 32.03 1wbv n ARG 173 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1wbv n HIS 174 N -0.66 -2.28 -1.79 -0.14 8.25 -1.26 -5.01 115.22 112.33 1wbv n HIS 174 Ca 0.18 0.86 -0.29 0.00 -0.26 0.00 0.00 57.72 58.21 1wbv n HIS 174 Cb 0.25 -4.46 0.11 0.00 1.12 0.00 0.00 29.99 27.02 1wbv n HIS 174 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wbv s THR 175 N -3.41 2.00 0.20 1.59 -4.23 -1.26 -4.97 115.64 105.55 1wbv s THR 175 Ca 0.25 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.65 1wbv s THR 175 Cb -0.04 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.99 1wbv s THR 175 CO 0.75 0.00 1.80 0.44 -0.54 0.00 0.00 174.62 177.07 1wbv h ASP 176 N -1.23 0.47 -0.74 3.99 3.32 -1.99 -3.13 116.42 117.12 1wbv h ASP 176 Ca -0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1wbv h ASP 176 Cb 1.32 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 1wbv h ASP 176 CO 0.63 0.31 0.46 -0.78 -1.72 0.00 0.00 179.24 178.15 1wbv h ASP 177 N 0.61 0.87 1.09 6.45 3.58 -1.96 -2.47 116.42 124.58 1wbv h ASP 177 Ca 0.26 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1wbv h ASP 177 Cb 0.16 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1wbv h ASP 177 CO -0.17 0.66 0.00 -1.84 -2.88 0.00 0.00 179.24 175.01 1wbv n GLU 178 N -4.54 0.22 -0.07 0.28 0.28 -1.19 -1.40 120.64 114.22 1wbv n GLU 178 Ca 0.07 0.31 0.11 0.00 -0.16 0.00 0.00 57.16 57.48 1wbv n GLU 178 Cb 0.04 -1.82 0.39 0.00 1.43 0.00 0.00 31.44 31.48 1wbv n GLU 178 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1wbv n MET 179 N -2.22 1.70 -3.50 3.44 2.81 -0.95 -4.75 117.12 113.65 1wbv n MET 179 Ca 0.04 -1.04 -0.37 0.00 -1.81 0.00 0.00 57.70 54.51 1wbv n MET 179 Cb 0.33 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.38 1wbv n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1wbv s THR 180 N -1.81 5.20 0.00 2.03 2.01 -0.49 -4.81 115.64 117.76 1wbv s THR 180 Ca 0.33 0.71 0.00 0.00 0.31 0.00 0.00 61.69 63.04 1wbv s THR 180 Cb 0.17 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1wbv s THR 180 CO 0.27 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.27 1wbv n GLY 181 N 2.67 -0.83 3.51 4.40 0.00 -1.26 -4.59 105.19 109.09 1wbv n GLY 181 Ca -0.12 -1.51 -0.44 0.00 0.00 0.00 0.00 46.02 43.95 1wbv n GLY 181 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wbv s TYR 182 N 0.00 3.17 -0.03 1.61 5.04 -1.16 -3.81 117.35 122.18 1wbv s TYR 182 Ca 0.00 -1.89 0.01 0.00 -2.44 0.00 0.00 57.07 52.75 1wbv s TYR 182 Cb 0.00 -4.51 0.01 0.00 0.35 0.00 0.00 41.96 37.81 1wbv s TYR 182 CO 0.00 -1.58 -0.04 0.14 -1.34 0.00 0.00 175.55 172.73 1wbv s VAL 183 N 2.78 0.44 0.58 3.14 -7.23 -1.26 -5.02 120.40 113.83 1wbv s VAL 183 Ca 0.47 -0.14 0.36 0.00 -1.81 0.00 0.00 61.98 60.87 1wbv s VAL 183 Cb 0.00 -0.44 0.39 0.00 0.56 0.00 0.00 36.38 36.89 1wbv s VAL 183 CO 0.03 0.17 2.27 0.00 -0.31 0.00 0.00 175.10 177.27 1wbv h ALA 184 N 6.73 1.23 -0.40 1.32 0.00 -1.94 -2.31 119.26 123.90 1wbv h ALA 184 Ca -0.36 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.66 1wbv h ALA 184 Cb 1.16 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1wbv h ALA 184 CO 0.49 0.02 0.41 1.15 0.00 0.00 0.00 179.25 181.31 1wbv h THR 185 N 0.00 0.43 0.00 0.00 2.02 -1.95 -2.95 112.91 110.45 1wbv h THR 185 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1wbv h THR 185 Cb 0.07 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1wbv h THR 185 CO 0.00 0.00 -0.62 -1.14 0.37 0.00 0.00 175.52 174.13 1wbv n ARG 186 N -3.81 3.38 0.29 6.66 0.63 -0.87 -4.79 116.66 118.15 1wbv n ARG 186 Ca 0.07 -0.02 0.19 0.00 -0.92 0.00 0.00 57.85 57.17 1wbv n ARG 186 Cb 0.58 -0.89 0.87 0.00 0.45 0.00 0.00 32.46 33.47 1wbv n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1wbv h TRP 187 N 0.00 0.00 -0.20 -0.14 6.55 -1.52 -2.52 115.95 118.12 1wbv h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1wbv h TRP 187 Cb 0.18 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.48 1wbv h TRP 187 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 1wbv n TYR 188 N -3.05 0.25 -2.93 0.49 4.02 -1.26 -4.57 117.16 110.11 1wbv n TYR 188 Ca -0.01 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.90 57.34 1wbv n TYR 188 Cb 0.22 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.48 1wbv n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1wbv s ARG 189 N -1.48 4.57 0.36 -0.72 1.81 -0.95 -3.82 118.95 118.72 1wbv s ARG 189 Ca 0.29 1.18 -0.28 0.00 -1.72 0.00 0.00 55.73 55.20 1wbv s ARG 189 Cb 0.18 -3.33 -0.12 0.00 -0.45 0.00 0.00 34.95 31.24 1wbv s ARG 189 CO 0.26 0.38 1.34 0.00 -0.68 0.00 0.00 175.30 176.60 1wbv n ALA 190 N 2.34 1.60 -0.27 2.13 0.00 -1.26 -4.77 120.51 120.27 1wbv n ALA 190 Ca -0.03 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.88 1wbv n ALA 190 Cb 0.49 -2.30 0.38 0.00 0.00 0.00 0.00 19.45 18.02 1wbv n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wbv h PRO 191 N 2.61 0.67 0.00 0.00 0.13 -1.95 -1.12 132.00 132.34 1wbv h PRO 191 Ca -0.48 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1wbv h PRO 191 Cb 1.27 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1wbv h PRO 191 CO 0.63 0.44 -0.33 1.05 -0.23 0.00 0.00 178.00 179.56 1wbv h GLU 192 N 0.69 0.00 0.14 0.86 9.09 -1.91 -1.49 114.58 121.96 1wbv h GLU 192 Ca 0.45 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.52 1wbv h GLU 192 Cb 0.74 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.83 1wbv h GLU 192 CO -0.21 0.33 -1.82 0.97 0.05 0.00 0.00 179.01 178.33 1wbv h ILE 193 N 0.00 0.83 -0.90 -1.06 2.10 -1.74 -0.27 117.51 116.47 1wbv h ILE 193 Ca -0.00 -2.50 0.11 0.00 1.08 0.00 0.00 64.86 63.55 1wbv h ILE 193 Cb 0.64 2.64 -0.07 0.00 -1.09 0.00 0.00 36.82 38.94 1wbv h ILE 193 CO 0.04 0.85 0.58 -0.03 -1.08 0.00 0.00 178.15 178.51 1wbv h MET 194 N 0.08 0.81 -0.11 2.19 4.05 -0.98 -2.93 114.93 118.04 1wbv h MET 194 Ca -0.36 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1wbv h MET 194 Cb 2.06 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 1wbv h MET 194 CO 0.13 0.54 0.00 1.28 0.23 0.00 0.00 176.91 179.09 1wbv n LEU 195 N -4.55 2.18 -3.63 3.39 7.99 -0.58 -5.02 117.00 116.78 1wbv n LEU 195 Ca 0.16 -1.31 -0.22 0.00 -0.01 0.00 0.00 56.01 54.64 1wbv n LEU 195 Cb 0.36 -0.07 0.04 0.00 -0.11 0.00 0.00 43.42 43.64 1wbv n LEU 195 CO 0.30 0.47 -0.05 -3.20 -1.51 0.00 0.00 177.39 173.41 1wbv n ASN 196 N 0.55 -2.37 0.09 -1.43 4.05 -0.64 -4.91 115.26 110.61 1wbv n ASN 196 Ca 0.08 -0.82 -0.06 0.00 0.45 0.00 0.00 54.58 54.23 1wbv n ASN 196 Cb 0.31 -4.17 0.08 0.00 1.23 0.00 0.00 39.78 37.23 1wbv n ASN 196 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 1wbv h TRP 197 N -1.79 0.27 -1.96 1.20 6.55 -1.37 -3.44 115.95 115.42 1wbv h TRP 197 Ca -0.62 -0.12 0.25 0.00 0.95 0.00 0.00 58.89 59.35 1wbv h TRP 197 Cb 1.35 -0.04 -0.09 0.00 -0.86 0.00 0.00 29.16 29.52 1wbv h TRP 197 CO 0.43 0.83 0.65 0.00 -1.05 0.00 0.00 178.44 179.30 1wbv s MET 198 N -3.54 0.84 0.12 0.49 0.23 -1.26 -1.61 119.30 114.57 1wbv s MET 198 Ca -0.03 -0.47 -0.33 0.00 -1.03 0.00 0.00 55.69 53.83 1wbv s MET 198 Cb 0.11 0.28 -0.12 0.00 -1.53 0.00 0.00 34.83 33.57 1wbv s MET 198 CO 0.80 -0.39 1.72 0.72 -2.03 0.00 0.00 175.02 175.85 1wbv n HIS 199 N -0.50 2.46 -3.68 3.16 8.25 -1.26 -4.88 115.22 118.76 1wbv n HIS 199 Ca -0.07 0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1wbv n HIS 199 Cb 0.61 -2.64 -0.02 0.00 1.12 0.00 0.00 29.99 29.07 1wbv n HIS 199 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 1wbv s TYR 200 N 1.95 3.48 0.37 4.41 -0.85 -1.26 -5.12 117.35 120.32 1wbv s TYR 200 Ca 0.81 0.20 0.01 0.00 -0.52 0.00 0.00 57.07 57.57 1wbv s TYR 200 Cb -0.60 -1.75 -0.00 0.00 0.38 0.00 0.00 41.96 39.98 1wbv s TYR 200 CO 0.39 0.30 0.03 0.27 -1.52 0.00 0.00 175.55 175.02 1wbv n ASN 201 N -1.40 2.56 0.27 -0.18 2.04 -1.26 -5.05 115.26 112.24 1wbv n ASN 201 Ca -0.06 -2.68 0.18 0.00 -0.44 0.00 0.00 54.58 51.57 1wbv n ASN 201 Cb 0.56 0.41 0.77 0.00 -2.53 0.00 0.00 39.78 38.99 1wbv n ASN 201 CO 0.00 0.00 0.00 0.06 -0.44 0.00 0.00 177.26 176.88 1wbv h GLN 202 N 0.00 0.00 0.00 -3.83 3.07 -1.98 -2.32 115.11 110.05 1wbv h GLN 202 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.44 1wbv h GLN 202 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.52 1wbv h GLN 202 CO 0.49 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.66 1wbv n THR 203 N -2.96 0.09 -0.34 1.86 -2.24 -1.26 -1.72 114.28 107.71 1wbv n THR 203 Ca -0.00 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 1wbv n THR 203 Cb 0.24 -0.68 0.31 0.00 -2.10 0.00 0.00 70.33 68.10 1wbv n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1wbv h VAL 204 N 0.00 0.81 0.00 2.28 -1.51 -1.80 -1.81 116.25 114.22 1wbv h VAL 204 Ca 0.00 -0.29 -0.07 0.00 -1.23 0.00 0.00 66.70 65.11 1wbv h VAL 204 Cb 0.05 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.10 1wbv h VAL 204 CO 0.00 0.15 -0.35 0.44 -1.23 0.00 0.00 177.57 176.59 1wbv h ASP 205 N 0.83 0.00 0.00 4.19 3.32 -1.58 -2.93 116.42 120.25 1wbv h ASP 205 Ca 0.52 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.38 1wbv h ASP 205 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1wbv h ASP 205 CO -0.30 0.35 -0.69 0.40 -1.72 0.00 0.00 179.24 177.27 1wbv h ILE 206 N 0.00 1.32 -0.37 0.35 1.08 -1.48 -2.13 117.51 116.27 1wbv h ILE 206 Ca -0.00 -1.97 0.07 0.00 -0.39 0.00 0.00 64.86 62.57 1wbv h ILE 206 Cb 0.67 1.94 -0.07 0.00 -3.07 0.00 0.00 36.82 36.30 1wbv h ILE 206 CO 0.04 0.61 -0.08 -0.25 -0.69 0.00 0.00 178.15 177.79 1wbv h TRP 207 N 0.45 -0.18 -0.52 1.37 2.91 -1.29 -1.28 115.95 117.41 1wbv h TRP 207 Ca -0.03 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.08 1wbv h TRP 207 Cb 1.29 0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 30.02 1wbv h TRP 207 CO 0.06 -0.15 0.24 0.77 -1.03 0.00 0.00 178.44 178.34 1wbv h SER 208 N 0.01 0.33 -0.79 2.65 0.02 -1.38 -1.39 113.55 113.00 1wbv h SER 208 Ca 0.18 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1wbv h SER 208 Cb 0.27 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1wbv h SER 208 CO -0.38 0.22 0.48 0.58 -1.14 0.00 0.00 176.83 176.60 1wbv h VAL 209 N 0.47 1.04 -0.59 2.27 2.07 -0.98 0.06 116.25 120.59 1wbv h VAL 209 Ca 0.24 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1wbv h VAL 209 Cb 0.19 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1wbv h VAL 209 CO -0.19 0.16 0.37 1.23 0.02 0.00 0.00 177.57 179.16 1wbv h GLY 210 N 0.89 0.84 1.14 2.17 0.00 -0.53 0.23 103.07 107.81 1wbv h GLY 210 Ca 0.34 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.34 1wbv h GLY 210 CO -0.16 0.25 0.27 0.00 0.00 0.00 0.00 176.54 176.91 1wbv h ILE 212 N 1.06 1.39 -0.49 0.00 2.04 -0.53 -2.71 117.51 118.26 1wbv h ILE 212 Ca 0.24 -1.29 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1wbv h ILE 212 Cb 0.23 2.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 1wbv h ILE 212 CO -0.02 0.36 0.19 -0.03 0.00 0.00 0.00 178.15 178.65 1wbv h MET 213 N -0.27 0.37 -0.68 2.37 4.05 -0.49 -0.40 114.93 119.88 1wbv h MET 213 Ca 0.01 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.52 1wbv h MET 213 Cb 0.62 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.26 1wbv h MET 213 CO 0.02 0.24 0.27 0.00 0.23 0.00 0.00 176.91 177.68 1wbv h ALA 214 N 1.31 0.91 -0.19 0.39 0.00 -1.27 -1.52 119.26 118.89 1wbv h ALA 214 Ca 0.23 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 1wbv h ALA 214 Cb 0.22 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wbv h ALA 214 CO -0.22 -0.17 -0.43 1.49 0.00 0.00 0.00 179.25 179.91 1wbv h GLU 215 N 0.45 0.45 -0.78 0.00 4.81 -0.95 -1.75 114.58 116.80 1wbv h GLU 215 Ca 0.35 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1wbv h GLU 215 Cb 0.46 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1wbv h GLU 215 CO -0.33 0.80 0.35 -0.07 -0.73 0.00 0.00 179.01 179.02 1wbv h LEU 216 N 0.37 1.05 -0.39 1.64 3.38 -0.73 0.43 115.31 121.06 1wbv h LEU 216 Ca 0.03 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 1wbv h LEU 216 Cb 0.91 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1wbv h LEU 216 CO 0.08 0.91 -0.59 -0.07 0.09 0.00 0.00 178.44 178.85 1wbv h LEU 217 N 1.13 0.77 0.00 1.67 3.38 -0.93 -3.36 115.31 117.97 1wbv h LEU 217 Ca 0.27 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wbv h LEU 217 Cb 0.16 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1wbv h LEU 217 CO -0.03 1.18 -1.64 0.35 0.09 0.00 0.00 178.44 178.39 1wbv n THR 218 N -3.96 0.00 -0.98 0.22 -2.24 -0.69 -5.00 114.28 101.63 1wbv n THR 218 Ca -0.04 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1wbv n THR 218 Cb 0.64 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 1wbv n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbv n GLY 219 N 1.56 0.56 3.24 3.38 0.00 0.15 -5.03 105.19 109.05 1wbv n GLY 219 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1wbv n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbv s ARG 220 N -0.21 1.01 0.22 1.61 1.81 -1.22 -4.95 118.95 117.22 1wbv s ARG 220 Ca 0.00 -1.11 -0.31 0.00 -1.72 0.00 0.00 55.73 52.59 1wbv s ARG 220 Cb 0.00 -1.11 -0.11 0.00 -0.45 0.00 0.00 34.95 33.28 1wbv s ARG 220 CO 0.00 0.25 1.56 0.99 -0.68 0.00 0.00 175.30 177.41 1wbv s THR 221 N -1.39 2.43 0.00 0.02 2.01 -1.26 -4.06 115.64 113.40 1wbv s THR 221 Ca 0.04 0.34 -0.25 0.00 0.31 0.00 0.00 61.69 62.13 1wbv s THR 221 Cb -0.09 -3.22 -0.19 0.00 0.01 0.00 0.00 72.50 69.02 1wbv s THR 221 CO 0.03 0.04 1.34 0.25 -0.69 0.00 0.00 174.62 175.59 1wbv h LEU 222 N 5.86 -0.07 -6.06 4.42 5.85 -1.92 -3.39 115.31 119.98 1wbv h LEU 222 Ca -0.45 -0.33 -0.59 0.00 0.84 0.00 0.00 57.88 57.36 1wbv h LEU 222 Cb 1.21 0.02 -0.41 0.00 0.37 0.00 0.00 40.66 41.85 1wbv h LEU 222 CO 0.85 0.30 -0.75 0.49 -0.34 0.00 0.00 178.44 179.00 1wbv n PHE 223 N -4.95 2.56 -1.55 1.25 3.72 -1.26 -5.00 117.46 112.22 1wbv n PHE 223 Ca -0.08 -3.98 -0.40 0.00 -0.05 0.00 0.00 57.45 52.93 1wbv n PHE 223 Cb 0.21 -0.50 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 1wbv n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1wbv n PRO 224 N 0.88 3.35 -2.14 -1.08 -0.04 -1.26 -4.71 135.00 129.99 1wbv n PRO 224 Ca 0.28 -2.45 -0.38 0.00 -0.04 0.00 0.00 63.50 60.91 1wbv n PRO 224 Cb 0.45 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 1wbv n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wbv s GLY 225 N 2.54 2.82 0.00 0.55 0.00 -1.26 -4.92 107.32 107.05 1wbv s GLY 225 Ca 0.58 1.05 0.29 0.00 0.00 0.00 0.00 44.72 46.64 1wbv s GLY 225 CO -0.07 1.53 1.94 -1.30 0.00 0.00 0.00 173.10 175.20 1wbv n THR 226 N -0.48 0.00 -3.68 0.90 -2.24 -1.26 -4.23 114.28 103.28 1wbv n THR 226 Ca 0.07 -0.02 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1wbv n THR 226 Cb 0.47 -0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1wbv n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1wbv s ASP 227 N -2.63 -0.06 0.30 3.42 1.47 -1.25 -2.97 116.67 114.96 1wbv s ASP 227 Ca 0.26 -0.19 0.06 0.00 1.18 0.00 0.00 52.55 53.86 1wbv s ASP 227 Cb 0.20 0.21 0.80 0.00 -0.34 0.00 0.00 42.92 43.78 1wbv s ASP 227 CO 0.49 -0.38 1.71 0.45 0.68 0.00 0.00 175.17 178.12 1wbv h HIS 228 N 2.00 0.81 0.17 2.11 3.86 -1.88 -0.49 115.15 121.74 1wbv h HIS 228 Ca -0.29 0.04 -0.23 0.00 -1.16 0.00 0.00 60.37 58.73 1wbv h HIS 228 Cb 1.20 -0.21 0.02 0.00 1.06 0.00 0.00 27.41 29.49 1wbv h HIS 228 CO 0.47 0.00 -1.04 0.82 0.86 0.00 0.00 177.93 179.04 1wbv h ILE 229 N 0.48 1.41 -0.72 2.45 1.08 -1.99 -1.65 117.51 118.57 1wbv h ILE 229 Ca 0.60 -2.56 0.06 0.00 -0.39 0.00 0.00 64.86 62.56 1wbv h ILE 229 Cb 1.13 3.12 -0.05 0.00 -3.07 0.00 0.00 36.82 37.95 1wbv h ILE 229 CO -0.50 0.74 0.42 -0.78 -0.69 0.00 0.00 178.15 177.34 1wbv h ASP 230 N -0.24 0.64 -0.61 1.72 3.58 -1.89 -0.72 116.42 118.90 1wbv h ASP 230 Ca -0.19 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.25 1wbv h ASP 230 Cb 1.79 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.70 1wbv h ASP 230 CO 0.17 0.42 0.23 -0.61 -2.88 0.00 0.00 179.24 176.57 1wbv h GLN 231 N 0.78 0.93 -0.93 0.28 4.15 -1.08 -1.77 115.11 117.47 1wbv h GLN 231 Ca 0.31 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1wbv h GLN 231 Cb 0.16 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 1wbv h GLN 231 CO -0.17 0.80 0.59 1.25 -1.93 0.00 0.00 178.83 179.37 1wbv h LEU 232 N 0.86 1.10 -0.68 -2.39 5.85 -0.67 -1.17 115.31 118.22 1wbv h LEU 232 Ca 0.20 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1wbv h LEU 232 Cb 0.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1wbv h LEU 232 CO -0.01 0.83 0.18 0.11 -0.34 0.00 0.00 178.44 179.21 1wbv h LYS 233 N 1.28 1.08 -0.46 1.25 1.57 -0.84 -0.22 116.57 120.23 1wbv h LYS 233 Ca 0.34 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1wbv h LYS 233 Cb -0.09 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 1wbv h LYS 233 CO -0.07 0.95 0.25 -0.07 -0.57 0.00 0.00 179.45 179.95 1wbv h LEU 234 N 1.01 0.39 0.48 2.94 3.38 -0.98 -2.15 115.31 120.38 1wbv h LEU 234 Ca 0.22 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1wbv h LEU 234 Cb 0.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1wbv h LEU 234 CO -0.00 0.28 -0.24 0.40 0.09 0.00 0.00 178.44 178.96 1wbv h ILE 235 N 0.51 0.50 0.00 1.22 2.04 -0.75 -2.95 117.51 118.07 1wbv h ILE 235 Ca 0.19 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 1wbv h ILE 235 Cb 0.05 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1wbv h ILE 235 CO -0.11 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.81 1wbv h LEU 236 N -0.67 0.00 -0.76 1.44 3.38 -1.01 -0.79 115.31 116.90 1wbv h LEU 236 Ca -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1wbv h LEU 236 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1wbv h LEU 236 CO 0.10 0.16 -0.07 -0.09 0.09 0.00 0.00 178.44 178.63 1wbv h ARG 237 N 0.00 0.87 0.08 1.13 2.43 -1.28 0.13 114.38 117.73 1wbv h ARG 237 Ca -0.00 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1wbv h ARG 237 Cb 0.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1wbv h ARG 237 CO 0.02 0.91 -0.04 1.25 -1.51 0.00 0.00 179.97 180.60 1wbv h LEU 238 N 0.79 -0.09 -0.23 3.80 5.85 -1.08 -3.39 115.31 120.95 1wbv h LEU 238 Ca 0.14 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1wbv h LEU 238 Cb 0.57 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1wbv h LEU 238 CO 0.03 0.58 -0.66 0.52 -0.34 0.00 0.00 178.44 178.58 1wbv n VAL 239 N -4.80 0.00 0.00 1.05 0.31 -0.42 -0.80 118.33 113.67 1wbv n VAL 239 Ca -0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1wbv n VAL 239 Cb 0.28 0.73 0.00 0.00 -0.91 0.00 0.00 33.84 33.94 1wbv n VAL 239 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wbv n GLY 240 N 1.47 -0.90 3.79 2.92 0.00 0.44 -4.15 105.19 108.76 1wbv n GLY 240 Ca 0.06 -1.55 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1wbv n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wbv s THR 241 N -3.12 3.78 0.75 2.61 -4.23 -0.39 -4.71 115.64 110.34 1wbv s THR 241 Ca 0.00 1.21 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 1wbv s THR 241 Cb 0.00 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.34 1wbv s THR 241 CO 0.00 -0.14 1.12 -2.16 -0.54 0.00 0.00 174.62 172.90 1wbv s PRO 242 N -2.93 2.24 0.59 3.99 0.04 -1.26 -4.84 135.00 132.82 1wbv s PRO 242 Ca 0.63 1.39 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1wbv s PRO 242 Cb -0.18 -1.88 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1wbv s PRO 242 CO 0.23 -1.68 0.81 0.41 0.04 0.00 0.00 177.00 176.80 1wbv n GLY 243 N -0.52 1.21 0.36 0.56 0.00 -1.26 -4.92 105.19 100.62 1wbv n GLY 243 Ca 0.11 -2.10 0.05 0.00 0.00 0.00 0.00 46.02 44.07 1wbv n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbv h ALA 244 N -0.28 1.56 -0.45 4.61 0.00 -1.99 -2.12 119.26 120.60 1wbv h ALA 244 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1wbv h ALA 244 Cb 1.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1wbv h ALA 244 CO 0.32 0.29 0.28 1.49 0.00 0.00 0.00 179.25 181.63 1wbv h GLU 245 N 0.96 0.60 -0.13 0.00 4.81 -2.01 -1.14 114.58 117.67 1wbv h GLU 245 Ca 0.39 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.39 1wbv h GLU 245 Cb 0.27 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.53 1wbv h GLU 245 CO -0.15 0.42 -0.65 1.25 -0.73 0.00 0.00 179.01 179.15 1wbv h LEU 246 N 0.60 0.79 -0.56 1.64 7.12 -1.88 -3.27 115.31 119.74 1wbv h LEU 246 Ca 0.16 -0.64 0.10 0.00 0.13 0.00 0.00 57.88 57.64 1wbv h LEU 246 Cb -0.03 -0.23 -0.08 0.00 -0.53 0.00 0.00 40.66 39.78 1wbv h LEU 246 CO -0.03 1.30 0.09 -0.07 -0.13 0.00 0.00 178.44 179.60 1wbv h LEU 247 N 0.34 -0.06 -1.26 2.25 3.38 -1.17 0.24 115.31 119.03 1wbv h LEU 247 Ca -0.04 0.11 0.33 0.00 0.09 0.00 0.00 57.88 58.37 1wbv h LEU 247 Cb 1.28 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 42.08 1wbv h LEU 247 CO 0.13 -0.01 0.70 0.11 0.09 0.00 0.00 178.44 179.46 1wbv h LYS 248 N 0.22 0.28 0.00 1.13 1.57 -1.26 -0.99 116.57 117.51 1wbv h LYS 248 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1wbv h LYS 248 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1wbv h LYS 248 CO -0.40 0.18 -0.19 1.63 -0.57 0.00 0.00 179.45 180.10 1wbv n LYS 249 N -4.78 0.28 -2.31 3.15 5.02 0.06 -4.61 118.16 114.97 1wbv n LYS 249 Ca 0.31 0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 56.38 1wbv n LYS 249 Cb 1.08 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 1wbv n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wbv s ILE 250 N -3.12 3.56 0.17 -0.18 1.01 -0.38 -4.78 121.20 117.47 1wbv s ILE 250 Ca 0.09 0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 1wbv s ILE 250 Cb 0.12 -4.46 0.04 0.00 0.01 0.00 0.00 42.46 38.17 1wbv s ILE 250 CO 0.64 -1.41 1.79 0.28 0.00 0.00 0.00 174.94 176.23 1wbv h SER 251 N 12.29 0.35 -2.45 3.58 0.02 -1.55 -3.42 113.55 122.37 1wbv h SER 251 Ca -0.27 0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 60.13 1wbv h SER 251 Cb 1.10 -0.05 0.06 0.00 0.14 0.00 0.00 62.40 63.65 1wbv h SER 251 CO 1.25 0.25 0.82 -0.24 -1.14 0.00 0.00 176.83 177.77 1wbv n SER 252 N -4.89 3.27 0.12 3.07 2.88 -1.22 -4.92 113.62 111.94 1wbv n SER 252 Ca 0.02 1.09 -0.24 0.00 -1.33 0.00 0.00 58.87 58.41 1wbv n SER 252 Cb 0.10 -1.46 -0.16 0.00 -0.75 0.00 0.00 64.21 61.93 1wbv n SER 252 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1wbv h GLU 253 N 5.83 0.49 -0.33 -1.46 4.81 -1.96 -3.07 114.58 118.90 1wbv h GLU 253 Ca -0.45 -0.84 -0.09 0.00 -0.13 0.00 0.00 59.36 57.85 1wbv h GLU 253 Cb 1.24 0.31 -0.01 0.00 0.63 0.00 0.00 28.75 30.93 1wbv h GLU 253 CO 0.88 1.40 -0.13 0.77 -0.73 0.00 0.00 179.01 181.20 1wbv h SER 254 N 0.12 0.69 -0.73 1.04 0.02 -1.97 -1.17 113.55 111.55 1wbv h SER 254 Ca -0.29 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.30 1wbv h SER 254 Cb 2.14 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 64.45 1wbv h SER 254 CO 0.24 0.93 0.48 0.00 -1.14 0.00 0.00 176.83 177.35 1wbv h ALA 255 N 0.78 1.57 -0.17 3.77 0.00 -1.96 0.57 119.26 123.82 1wbv h ALA 255 Ca 0.08 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1wbv h ALA 255 Cb 0.66 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wbv h ALA 255 CO 0.04 0.35 -0.43 -0.09 0.00 0.00 0.00 179.25 179.12 1wbv h ARG 256 N 0.89 0.60 -0.38 0.00 2.43 -1.42 -2.70 114.38 113.79 1wbv h ARG 256 Ca 0.29 -0.41 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 1wbv h ARG 256 Cb 0.06 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1wbv h ARG 256 CO -0.08 1.03 -0.06 -0.97 -1.51 0.00 0.00 179.97 178.38 1wbv h ASN 257 N 0.26 0.61 -0.30 -3.80 -1.24 -0.76 -2.81 115.58 107.54 1wbv h ASN 257 Ca -0.00 -0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.84 1wbv h ASN 257 Cb 1.04 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 1wbv h ASN 257 CO 0.09 0.72 0.14 0.22 -1.29 0.00 0.00 177.43 177.31 1wbv h TYR 258 N 0.59 0.44 -0.74 0.67 3.20 -0.87 -3.09 116.97 117.17 1wbv h TYR 258 Ca 0.11 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1wbv h TYR 258 Cb 0.46 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1wbv h TYR 258 CO 0.02 0.40 0.49 0.82 -1.64 0.00 0.00 178.16 178.25 1wbv h ILE 259 N 0.35 1.19 0.00 1.81 2.04 -1.30 -1.16 117.51 120.44 1wbv h ILE 259 Ca 0.10 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1wbv h ILE 259 Cb 0.14 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1wbv h ILE 259 CO -0.01 0.19 0.00 1.56 0.00 0.00 0.00 178.15 179.88 1wbv h GLN 260 N 1.00 0.00 0.00 2.37 4.20 -1.49 -2.28 115.11 118.91 1wbv h GLN 260 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1wbv h GLN 260 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1wbv h GLN 260 CO -0.06 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 178.76 1wbv h SER 261 N 0.00 0.00 -3.79 1.46 4.64 -1.12 -3.46 113.55 111.28 1wbv h SER 261 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1wbv h SER 261 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1wbv h SER 261 CO 0.00 0.00 0.31 -0.76 -0.87 0.00 0.00 176.83 175.51 1wbv s LEU 262 N -5.27 4.43 0.19 5.97 1.02 -0.86 -5.01 118.68 119.16 1wbv s LEU 262 Ca 0.06 1.80 -0.31 0.00 0.02 0.00 0.00 54.13 55.70 1wbv s LEU 262 Cb 0.09 -3.82 -0.10 0.00 0.02 0.00 0.00 46.19 42.38 1wbv s LEU 262 CO 0.54 0.02 1.53 -0.89 0.02 0.00 0.00 176.35 177.57 1wbv s THR 263 N -1.47 2.60 0.30 5.49 2.01 -1.26 -4.93 115.64 118.37 1wbv s THR 263 Ca 0.46 0.45 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1wbv s THR 263 Cb -0.20 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 1wbv s THR 263 CO 0.25 0.05 1.36 -1.10 -0.69 0.00 0.00 174.62 174.49 1wbv s GLN 264 N 0.63 4.32 -0.00 4.92 -0.21 -1.26 -4.94 119.66 123.12 1wbv s GLN 264 Ca 0.67 2.25 0.03 0.00 0.02 0.00 0.00 55.36 58.33 1wbv s GLN 264 Cb -0.43 -3.09 -0.01 0.00 1.00 0.00 0.00 33.01 30.48 1wbv s GLN 264 CO 0.35 -0.29 -0.11 -1.64 -2.12 0.00 0.00 175.29 171.49 1wbv s MET 265 N -1.24 0.86 0.53 2.91 -1.94 -1.26 -4.99 119.30 114.18 1wbv s MET 265 Ca 0.53 -0.41 -0.11 0.00 -1.71 0.00 0.00 55.69 53.99 1wbv s MET 265 Cb -0.41 -0.83 -0.05 0.00 2.01 0.00 0.00 34.83 35.55 1wbv s MET 265 CO 0.49 0.23 0.93 -1.25 -0.01 0.00 0.00 175.02 175.41 1wbv s PRO 266 N -0.32 3.71 0.26 2.03 0.04 -1.26 -1.27 135.00 138.19 1wbv s PRO 266 Ca 0.04 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1wbv s PRO 266 Cb -0.04 -2.20 -0.13 0.00 0.04 0.00 0.00 34.50 32.16 1wbv s PRO 266 CO -0.00 -0.34 1.37 1.17 0.04 0.00 0.00 177.00 179.24 1wbv n LYS 267 N -2.12 2.02 -1.73 4.56 4.81 -1.26 -4.04 118.16 120.41 1wbv n LYS 267 Ca 0.05 0.72 -0.30 0.00 -0.87 0.00 0.00 58.31 57.90 1wbv n LYS 267 Cb 0.54 -2.35 0.05 0.00 0.02 0.00 0.00 35.03 33.29 1wbv n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1wbv s MET 268 N -0.70 2.79 -0.43 1.64 -1.94 0.02 -4.91 119.30 115.77 1wbv s MET 268 Ca 0.66 0.65 -0.29 0.00 -1.71 0.00 0.00 55.69 55.00 1wbv s MET 268 Cb -0.64 -2.00 0.03 0.00 2.01 0.00 0.00 34.83 34.23 1wbv s MET 268 CO 0.52 -1.13 1.13 1.21 -0.01 0.00 0.00 175.02 176.74 1wbv s ASN 269 N -4.10 6.72 0.39 3.03 3.84 -1.26 -4.93 114.94 118.63 1wbv s ASN 269 Ca 0.58 0.66 0.13 0.00 0.21 0.00 0.00 52.86 54.44 1wbv s ASN 269 Cb -0.12 -2.55 0.79 0.00 -0.55 0.00 0.00 41.25 38.82 1wbv s ASN 269 CO 0.53 -1.14 1.87 -0.26 -2.79 0.00 0.00 177.10 175.31 1wbv h PHE 270 N 8.91 0.02 0.00 0.43 -1.00 -1.95 -2.07 116.94 121.28 1wbv h PHE 270 Ca -0.22 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.54 1wbv h PHE 270 Cb 1.06 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.62 1wbv h PHE 270 CO 0.93 0.33 -0.05 0.00 -1.61 0.00 0.00 178.31 177.91 1wbv h ALA 271 N 1.67 1.68 -0.00 2.45 0.00 -1.92 0.16 119.26 123.31 1wbv h ALA 271 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1wbv h ALA 271 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wbv h ALA 271 CO 0.04 0.06 -0.47 0.09 0.00 0.00 0.00 179.25 178.97 1wbv n ASN 272 N -4.14 0.63 -0.11 0.00 3.02 -0.80 -3.74 115.26 110.13 1wbv n ASN 272 Ca -0.03 -0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 53.88 1wbv n ASN 272 Cb 0.13 0.26 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 1wbv n ASN 272 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1wbv n VAL 273 N -1.33 1.53 -2.74 2.41 0.31 -0.71 -4.63 118.33 113.17 1wbv n VAL 273 Ca 0.07 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 1wbv n VAL 273 Cb 0.34 -2.01 0.01 0.00 -0.91 0.00 0.00 33.84 31.27 1wbv n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wbv n PHE 274 N -4.39 2.51 -1.91 3.52 3.72 0.48 -5.01 117.46 116.37 1wbv n PHE 274 Ca -0.37 -2.59 -0.42 0.00 -0.05 0.00 0.00 57.45 54.02 1wbv n PHE 274 Cb 0.72 -1.32 -0.03 0.00 -0.94 0.00 0.00 39.48 37.92 1wbv n PHE 274 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1wbv s ILE 275 N -3.10 2.72 0.00 4.37 1.01 -1.24 -2.20 121.20 122.76 1wbv s ILE 275 Ca 0.36 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1wbv s ILE 275 Cb 0.12 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1wbv s ILE 275 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1wbv n GLY 276 N 3.86 1.42 3.78 6.18 0.00 -1.26 -5.04 105.19 114.13 1wbv n GLY 276 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1wbv n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbv s ALA 277 N -2.94 2.90 -0.13 4.61 0.00 -0.93 -4.95 121.76 120.31 1wbv s ALA 277 Ca 0.00 0.80 -0.40 0.00 0.00 0.00 0.00 51.96 52.36 1wbv s ALA 277 Cb 0.00 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.61 1wbv s ALA 277 CO 0.00 -0.55 1.44 -1.71 0.00 0.00 0.00 175.76 174.95 1wbv n ASN 278 N -0.73 1.47 -0.11 0.00 2.85 -1.26 -4.84 115.26 112.63 1wbv n ASN 278 Ca 0.08 1.12 0.21 0.00 -0.11 0.00 0.00 54.58 55.89 1wbv n ASN 278 Cb 0.50 -1.07 0.63 0.00 1.24 0.00 0.00 39.78 41.07 1wbv n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1wbv h PRO 279 N 5.09 0.16 -0.30 1.20 0.11 -1.98 0.15 132.00 136.42 1wbv h PRO 279 Ca -0.47 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1wbv h PRO 279 Cb 1.35 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 1wbv h PRO 279 CO 0.84 0.10 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.48 1wbv h LEU 280 N 0.16 0.54 -0.46 2.35 4.07 -1.99 -0.95 115.31 119.03 1wbv h LEU 280 Ca 0.35 -0.16 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1wbv h LEU 280 Cb 1.14 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1wbv h LEU 280 CO -0.06 0.73 -0.03 0.00 -1.08 0.00 0.00 178.44 178.00 1wbv h ALA 281 N 1.32 0.62 -0.31 1.53 0.00 -1.33 -1.88 119.26 119.21 1wbv h ALA 281 Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1wbv h ALA 281 Cb 0.59 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1wbv h ALA 281 CO 0.04 0.45 0.08 0.28 0.00 0.00 0.00 179.25 180.10 1wbv h VAL 282 N 0.67 1.21 -0.69 0.00 2.07 -1.21 -1.22 116.25 117.08 1wbv h VAL 282 Ca 0.13 -0.71 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1wbv h VAL 282 Cb 0.55 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1wbv h VAL 282 CO 0.03 0.24 0.42 -0.78 0.02 0.00 0.00 177.57 177.50 1wbv h ASP 283 N 0.34 0.68 -0.52 0.57 3.58 -1.08 -1.60 116.42 118.38 1wbv h ASP 283 Ca 0.10 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 1wbv h ASP 283 Cb 0.28 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1wbv h ASP 283 CO -0.00 0.46 0.09 0.25 -2.88 0.00 0.00 179.24 177.16 1wbv h LEU 284 N 0.81 0.83 -0.92 2.28 5.85 -1.12 -2.67 115.31 120.36 1wbv h LEU 284 Ca 0.29 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1wbv h LEU 284 Cb 0.07 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.82 1wbv h LEU 284 CO -0.13 0.87 0.59 -0.07 -0.34 0.00 0.00 178.44 179.37 1wbv h LEU 285 N 0.75 0.96 -1.96 2.25 3.38 -0.74 -1.12 115.31 118.82 1wbv h LEU 285 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1wbv h LEU 285 Cb 0.40 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wbv h LEU 285 CO 0.01 0.63 -0.09 -0.33 0.09 0.00 0.00 178.44 178.76 1wbv h GLU 286 N 1.11 0.00 0.00 1.13 5.08 -1.07 0.10 114.58 120.93 1wbv h GLU 286 Ca 0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1wbv h GLU 286 Cb 0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wbv h GLU 286 CO -0.15 0.09 -0.90 0.87 -1.00 0.00 0.00 179.01 177.92 1wbv h LYS 287 N 0.00 0.00 0.11 2.33 1.57 -0.92 -3.37 116.57 116.28 1wbv h LYS 287 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1wbv h LYS 287 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1wbv h LYS 287 CO 0.01 0.06 -1.94 -1.33 -0.57 0.00 0.00 179.45 175.69 1wbv n MET 288 N -2.79 0.73 -2.05 3.15 2.81 -0.55 -1.90 117.12 116.53 1wbv n MET 288 Ca -0.01 0.29 -0.41 0.00 -1.81 0.00 0.00 57.70 55.77 1wbv n MET 288 Cb 0.60 -1.70 -0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1wbv n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wbv n LEU 289 N -3.59 7.73 -4.42 4.03 4.32 0.31 -4.38 117.00 121.00 1wbv n LEU 289 Ca -0.33 -4.80 -0.34 0.00 -0.02 0.00 0.00 56.01 50.52 1wbv n LEU 289 Cb 1.00 -1.40 -0.13 0.00 -1.62 0.00 0.00 43.42 41.27 1wbv n LEU 289 CO 0.39 1.89 -0.40 -0.69 -1.22 0.00 0.00 177.39 177.36 1wbv s VAL 290 N -0.60 3.48 0.14 4.08 1.01 -1.26 -4.89 120.40 122.36 1wbv s VAL 290 Ca 0.51 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1wbv s VAL 290 Cb 0.16 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1wbv s VAL 290 CO -0.07 0.50 1.70 0.25 0.00 0.00 0.00 175.10 177.48 1wbv h LEU 291 N 6.87 0.56 -8.79 3.92 5.85 -1.90 -3.39 115.31 118.42 1wbv h LEU 291 Ca -0.30 -0.15 -0.57 0.00 0.84 0.00 0.00 57.88 57.70 1wbv h LEU 291 Cb 1.20 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1wbv h LEU 291 CO 0.59 0.55 1.06 -0.62 -0.34 0.00 0.00 178.44 179.69 1wbv s ASP 292 N -5.83 6.36 0.54 1.25 -1.08 -1.26 -4.88 116.67 111.77 1wbv s ASP 292 Ca -0.13 0.83 0.28 0.00 -0.52 0.00 0.00 52.55 53.01 1wbv s ASP 292 Cb 0.10 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.57 1wbv s ASP 292 CO 0.75 -1.41 2.12 0.77 0.52 0.00 0.00 175.17 177.93 1wbv h SER 293 N 10.57 0.00 0.06 -0.34 4.64 -1.98 -0.26 113.55 126.25 1wbv h SER 293 Ca -0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 1wbv h SER 293 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1wbv h SER 293 CO 1.09 0.09 -0.04 0.44 -0.87 0.00 0.00 176.83 177.53 1wbv h ASP 294 N 0.00 0.00 -0.02 4.97 3.32 -1.94 -3.06 116.42 119.69 1wbv h ASP 294 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wbv h ASP 294 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1wbv h ASP 294 CO 0.01 0.04 -0.21 0.29 -1.72 0.00 0.00 179.24 177.66 1wbv n LYS 295 N -4.21 1.75 -2.29 3.56 5.02 -0.12 -4.97 118.16 116.90 1wbv n LYS 295 Ca -0.03 -1.44 -0.38 0.00 -2.02 0.00 0.00 58.31 54.45 1wbv n LYS 295 Cb 0.13 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 1wbv n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1wbv s ARG 296 N -2.10 4.02 0.43 1.97 0.52 -1.16 -5.00 118.95 117.64 1wbv s ARG 296 Ca 0.22 1.83 -0.26 0.00 -0.52 0.00 0.00 55.73 57.00 1wbv s ARG 296 Cb 0.18 -2.64 -0.09 0.00 0.52 0.00 0.00 34.95 32.92 1wbv s ARG 296 CO 0.40 -0.35 1.44 -1.50 0.02 0.00 0.00 175.30 175.31 1wbv s ILE 297 N -1.43 2.08 0.61 1.52 2.07 -0.80 -5.04 121.20 120.21 1wbv s ILE 297 Ca 0.58 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.86 1wbv s ILE 297 Cb -0.30 -3.04 0.04 0.00 0.13 0.00 0.00 42.46 39.28 1wbv s ILE 297 CO 0.38 0.01 0.88 0.42 -1.91 0.00 0.00 174.94 174.72 1wbv s THR 298 N -1.18 2.73 0.18 4.00 -4.23 -1.26 -4.91 115.64 110.96 1wbv s THR 298 Ca 0.59 -0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 60.56 1wbv s THR 298 Cb -0.44 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.40 1wbv s THR 298 CO 0.58 -0.08 1.82 0.00 -0.54 0.00 0.00 174.62 176.39 1wbv h ALA 299 N -0.20 0.77 -0.74 3.99 0.00 -1.93 -1.15 119.26 119.99 1wbv h ALA 299 Ca -0.44 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1wbv h ALA 299 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1wbv h ALA 299 CO 0.57 0.25 0.30 0.00 0.00 0.00 0.00 179.25 180.37 1wbv h ALA 300 N 1.18 0.96 -0.46 0.00 0.00 -1.94 -1.01 119.26 118.00 1wbv h ALA 300 Ca 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1wbv h ALA 300 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1wbv h ALA 300 CO -0.04 0.58 0.06 1.96 0.00 0.00 0.00 179.25 181.81 1wbv h GLN 301 N 1.07 0.77 -0.42 0.00 4.20 -1.91 -3.16 115.11 115.67 1wbv h GLN 301 Ca 0.25 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.68 1wbv h GLN 301 Cb 0.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1wbv h GLN 301 CO -0.02 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 178.94 1wbv h ALA 302 N 0.95 1.22 -0.09 3.87 0.00 -0.68 -2.37 119.26 122.16 1wbv h ALA 302 Ca 0.14 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wbv h ALA 302 Cb 0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1wbv h ALA 302 CO 0.01 0.52 0.09 -0.07 0.00 0.00 0.00 179.25 179.80 1wbv h LEU 303 N 0.64 0.00 -1.48 0.00 3.38 -1.16 -1.22 115.31 115.47 1wbv h LEU 303 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wbv h LEU 303 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wbv h LEU 303 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1wbv n ALA 304 N -2.39 2.51 -1.76 1.53 0.00 -0.90 -4.75 120.51 114.74 1wbv n ALA 304 Ca -0.01 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.43 1wbv n ALA 304 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1wbv n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wbv s HIS 305 N -1.87 2.74 0.60 0.00 5.04 -0.46 -4.93 115.29 116.40 1wbv s HIS 305 Ca 0.34 1.44 0.31 0.00 -1.54 0.00 0.00 55.06 55.61 1wbv s HIS 305 Cb 0.20 -3.60 1.84 0.00 0.04 0.00 0.00 32.58 31.06 1wbv s HIS 305 CO 0.31 -2.06 2.23 0.00 -2.34 0.00 0.00 174.74 172.88 1wbv h ALA 306 N 2.26 1.54 -0.53 1.58 0.00 -1.92 -1.98 119.26 120.23 1wbv h ALA 306 Ca -0.50 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.53 1wbv h ALA 306 Cb 1.26 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1wbv h ALA 306 CO 0.61 -0.07 0.37 -0.92 0.00 0.00 0.00 179.25 179.24 1wbv h TYR 307 N 0.00 0.19 -0.53 0.00 3.20 -1.92 -2.10 116.97 115.80 1wbv h TYR 307 Ca 0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1wbv h TYR 307 Cb 0.12 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.33 1wbv h TYR 307 CO 0.00 0.08 0.00 1.19 -1.64 0.00 0.00 178.16 177.79 1wbv n PHE 308 N -4.43 1.90 -0.11 -3.82 3.72 -0.74 -4.66 117.46 109.32 1wbv n PHE 308 Ca 0.09 -0.75 0.15 0.00 -0.05 0.00 0.00 57.45 56.90 1wbv n PHE 308 Cb 0.48 -0.48 0.54 0.00 -0.94 0.00 0.00 39.48 39.08 1wbv n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wbv h ALA 309 N 3.69 2.17 0.00 4.37 0.00 -1.52 0.14 119.26 128.10 1wbv h ALA 309 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wbv h ALA 309 Cb 1.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1wbv h ALA 309 CO 0.45 -0.34 -0.23 0.37 0.00 0.00 0.00 179.25 179.50 1wbv h GLN 310 N 0.33 0.00 0.00 0.00 4.15 -1.85 -3.33 115.11 114.41 1wbv h GLN 310 Ca 0.32 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 1wbv h GLN 310 Cb 0.80 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1wbv h GLN 310 CO -0.08 0.23 -1.26 0.66 -1.93 0.00 0.00 178.83 176.44 1wbv n TYR 311 N -3.58 0.00 -1.73 3.99 4.01 0.06 -5.03 117.16 114.89 1wbv n TYR 311 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 1wbv n TYR 311 Cb 0.37 -0.16 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1wbv n TYR 311 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1wbv s HIS 312 N -2.23 2.10 -0.25 -0.72 2.46 0.25 -4.97 115.29 111.92 1wbv s HIS 312 Ca -0.02 -0.03 -0.04 0.00 0.47 0.00 0.00 55.06 55.44 1wbv s HIS 312 Cb 0.02 -4.17 0.09 0.00 -0.13 0.00 0.00 32.58 28.40 1wbv s HIS 312 CO 0.19 -4.85 0.14 0.34 -2.47 0.00 0.00 174.74 168.09 1wbv s ASP 313 N 2.82 2.87 0.25 9.88 -1.08 -1.26 -4.99 116.67 125.16 1wbv s ASP 313 Ca 0.81 -0.98 0.22 0.00 -0.52 0.00 0.00 52.55 52.08 1wbv s ASP 313 Cb -0.45 -0.18 0.97 0.00 -1.46 0.00 0.00 42.92 41.80 1wbv s ASP 313 CO 0.36 -0.40 1.66 -0.81 0.52 0.00 0.00 175.17 176.50 1wbv n PRO 314 N 5.27 0.16 0.00 4.34 -0.04 -1.26 -1.14 135.00 142.33 1wbv n PRO 314 Ca -0.06 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1wbv n PRO 314 Cb 0.45 -1.86 0.60 0.00 -0.04 0.00 0.00 33.50 32.65 1wbv n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wbv n ASP 315 N -2.17 1.07 -2.58 3.54 8.00 -1.26 -4.16 116.55 118.99 1wbv n ASP 315 Ca 0.01 -1.25 -0.09 0.00 0.71 0.00 0.00 54.79 54.17 1wbv n ASP 315 Cb 0.17 0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.31 1wbv n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wbv n ASP 316 N -0.24 2.63 -3.27 -2.24 2.03 -0.29 -4.87 116.55 110.31 1wbv n ASP 316 Ca 0.19 -2.68 -0.25 0.00 0.52 0.00 0.00 54.79 52.57 1wbv n ASP 316 Cb 0.30 -0.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.18 1wbv n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wbv n GLU 317 N -0.54 1.37 -1.47 -0.67 1.02 -1.22 -4.89 120.64 114.23 1wbv n GLU 317 Ca 0.19 -3.75 -0.31 0.00 -0.02 0.00 0.00 57.16 53.27 1wbv n GLU 317 Cb 0.84 -1.59 0.06 0.00 -0.02 0.00 0.00 31.44 30.73 1wbv n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wbv s PRO 318 N -1.66 2.71 0.44 3.49 0.04 -1.26 -4.98 135.00 133.77 1wbv s PRO 318 Ca 0.37 1.04 0.08 0.00 0.04 0.00 0.00 61.00 62.52 1wbv s PRO 318 Cb 0.16 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.75 1wbv s PRO 318 CO -0.07 -1.28 0.51 0.14 0.04 0.00 0.00 177.00 176.33 1wbv s VAL 319 N -2.98 2.72 0.26 -0.36 -7.23 -1.26 -4.26 120.40 107.29 1wbv s VAL 319 Ca 0.59 -1.16 -0.07 0.00 -1.81 0.00 0.00 61.98 59.53 1wbv s VAL 319 Cb -0.15 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 1wbv s VAL 319 CO 0.55 0.00 0.55 0.00 -0.31 0.00 0.00 175.10 175.89 1wbv s ALA 320 N -2.45 3.59 0.76 1.32 0.00 -1.26 -5.02 121.76 118.71 1wbv s ALA 320 Ca 0.52 -0.41 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 1wbv s ALA 320 Cb -0.07 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.74 1wbv s ALA 320 CO 0.31 0.38 1.22 -0.51 0.00 0.00 0.00 175.76 177.15 1wbv s ASP 321 N -2.75 3.92 0.28 0.00 1.01 -1.26 -4.80 116.67 113.07 1wbv s ASP 321 Ca 0.46 2.39 -0.30 0.00 0.71 0.00 0.00 52.55 55.81 1wbv s ASP 321 Cb -0.11 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.10 1wbv s ASP 321 CO 0.26 -2.45 1.41 -2.65 0.21 0.00 0.00 175.17 171.95 1wbv n PRO 322 N -2.94 2.20 -3.94 8.23 -0.02 -1.26 -4.81 135.00 132.45 1wbv n PRO 322 Ca 0.14 0.78 -0.35 0.00 -2.02 0.00 0.00 63.50 62.05 1wbv n PRO 322 Cb 0.50 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 1wbv n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1wbv s TYR 323 N -0.39 3.10 -0.54 6.00 5.04 -1.26 -5.08 117.35 124.22 1wbv s TYR 323 Ca 0.63 -1.57 -0.28 0.00 -2.44 0.00 0.00 57.07 53.42 1wbv s TYR 323 Cb -0.59 -2.07 0.03 0.00 0.35 0.00 0.00 41.96 39.67 1wbv s TYR 323 CO 0.54 -0.73 1.12 0.34 -1.34 0.00 0.00 175.55 175.47 1wbv s ASP 324 N 1.32 6.48 -0.16 4.32 -1.08 -1.26 -4.89 116.67 121.41 1wbv s ASP 324 Ca -0.01 0.13 0.16 0.00 -0.52 0.00 0.00 52.55 52.31 1wbv s ASP 324 Cb -0.17 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.40 1wbv s ASP 324 CO -0.04 -1.35 1.55 0.00 0.52 0.00 0.00 175.17 175.85 1wbv n GLN 325 N 8.03 3.66 0.28 4.34 6.02 -1.26 -4.65 117.38 133.81 1wbv n GLN 325 Ca 0.08 -2.85 0.15 0.00 -0.01 0.00 0.00 57.00 54.37 1wbv n GLN 325 Cb 0.49 -1.90 0.89 0.00 1.02 0.00 0.00 30.24 30.73 1wbv n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wbv h SER 326 N 3.01 0.00 0.02 1.08 4.64 -2.02 -0.88 113.55 119.39 1wbv h SER 326 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wbv h SER 326 Cb 1.51 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.60 1wbv h SER 326 CO 0.27 0.00 -0.01 2.19 -0.87 0.00 0.00 176.83 178.41 1wbv h PHE 327 N 0.00 0.00 0.00 4.77 -5.15 -1.96 -2.38 116.94 112.22 1wbv h PHE 327 Ca 0.02 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1wbv h PHE 327 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.27 1wbv h PHE 327 CO 0.00 0.01 -0.04 0.93 -2.00 0.00 0.00 178.31 177.21 1wbv h GLU 328 N 0.00 0.00 -0.66 6.09 4.39 -1.54 -1.73 114.58 121.14 1wbv h GLU 328 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wbv h GLU 328 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1wbv h GLU 328 CO 0.00 0.04 0.00 0.43 -1.16 0.00 0.00 179.01 178.32 1wbv n SER 329 N -4.10 3.70 -4.55 1.42 7.64 -0.90 -4.96 113.62 111.88 1wbv n SER 329 Ca -0.03 -2.09 -0.34 0.00 1.01 0.00 0.00 58.87 57.43 1wbv n SER 329 Cb 0.12 -0.46 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 1wbv n SER 329 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wbv s ARG 330 N -1.27 3.23 -0.33 1.43 3.52 -0.65 -5.09 118.95 119.79 1wbv s ARG 330 Ca 0.45 -0.52 -0.09 0.00 -0.13 0.00 0.00 55.73 55.44 1wbv s ARG 330 Cb 0.24 -2.77 0.02 0.00 -1.56 0.00 0.00 34.95 30.88 1wbv s ARG 330 CO 0.28 0.46 0.14 -0.51 -0.81 0.00 0.00 175.30 174.86 1wbv s ASP 331 N -0.24 5.43 0.27 -2.12 1.01 -1.26 -5.02 116.67 114.73 1wbv s ASP 331 Ca 0.04 -0.81 0.06 0.00 0.71 0.00 0.00 52.55 52.54 1wbv s ASP 331 Cb -0.13 -1.95 -0.06 0.00 1.01 0.00 0.00 42.92 41.80 1wbv s ASP 331 CO 0.02 -0.27 -0.04 -0.76 0.21 0.00 0.00 175.17 174.34 1wbv s LEU 332 N 1.53 2.40 0.60 1.23 1.43 -1.26 -5.15 118.68 119.45 1wbv s LEU 332 Ca 0.02 -1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 51.81 1wbv s LEU 332 Cb -0.18 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 1wbv s LEU 332 CO 0.05 -0.40 0.98 -0.76 0.23 0.00 0.00 176.35 176.44 1wbv s LEU 333 N -3.42 3.29 0.19 1.79 1.43 -1.26 -4.87 118.68 115.84 1wbv s LEU 333 Ca 0.30 1.30 -0.19 0.00 -1.03 0.00 0.00 54.13 54.51 1wbv s LEU 333 Cb 0.05 -4.32 0.14 0.00 0.03 0.00 0.00 46.19 42.09 1wbv s LEU 333 CO 0.11 -0.83 1.61 0.40 0.23 0.00 0.00 176.35 177.87 1wbv h ILE 334 N -0.22 0.28 0.00 -0.59 2.04 -1.92 -1.07 117.51 116.02 1wbv h ILE 334 Ca -0.45 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1wbv h ILE 334 Cb 1.20 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1wbv h ILE 334 CO 0.62 0.00 -0.13 0.44 0.00 0.00 0.00 178.15 179.08 1wbv h ASP 335 N -0.14 0.00 -0.11 1.72 3.32 -1.95 0.87 116.42 120.13 1wbv h ASP 335 Ca 0.23 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 1wbv h ASP 335 Cb 0.51 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.06 1wbv h ASP 335 CO -0.61 0.13 -0.52 -0.33 -1.72 0.00 0.00 179.24 176.20 1wbv h GLU 336 N 0.00 0.54 -0.39 3.56 5.08 -1.65 -1.46 114.58 120.26 1wbv h GLU 336 Ca -0.00 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1wbv h GLU 336 Cb 0.26 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wbv h GLU 336 CO 0.02 1.07 0.04 -1.49 -1.00 0.00 0.00 179.01 177.65 1wbv h TRP 337 N 0.15 0.61 -0.35 4.33 -0.00 -0.79 -1.84 115.95 118.06 1wbv h TRP 337 Ca -0.03 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.89 58.73 1wbv h TRP 337 Cb 1.16 -0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 30.13 1wbv h TRP 337 CO 0.11 0.56 -0.06 -0.22 -0.00 0.00 0.00 178.44 178.83 1wbv h LYS 338 N 0.57 0.66 -0.52 0.49 3.64 -0.81 -1.55 116.57 119.05 1wbv h LYS 338 Ca 0.13 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.14 1wbv h LYS 338 Cb 0.30 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1wbv h LYS 338 CO 0.01 0.81 -0.15 1.03 -2.27 0.00 0.00 179.45 178.88 1wbv h SER 339 N 0.45 1.03 -0.41 4.20 0.87 -1.13 -0.48 113.55 118.08 1wbv h SER 339 Ca 0.09 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 1wbv h SER 339 Cb 0.56 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1wbv h SER 339 CO 0.03 1.15 0.19 -0.07 -0.53 0.00 0.00 176.83 177.60 1wbv h LEU 340 N 0.89 0.25 -0.34 2.23 4.07 -1.29 -2.32 115.31 118.81 1wbv h LEU 340 Ca 0.13 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.12 1wbv h LEU 340 Cb 0.72 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.43 1wbv h LEU 340 CO 0.06 0.18 0.20 0.74 -1.08 0.00 0.00 178.44 178.54 1wbv h THR 341 N 0.38 1.12 -0.42 0.22 2.02 -1.02 -2.48 112.91 112.72 1wbv h THR 341 Ca 0.18 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1wbv h THR 341 Cb 0.11 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.17 1wbv h THR 341 CO -0.15 0.12 0.11 0.22 0.37 0.00 0.00 175.52 176.20 1wbv h TYR 342 N 0.43 0.20 -1.00 3.16 3.20 -0.97 -0.15 116.97 121.84 1wbv h TYR 342 Ca 0.12 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.15 1wbv h TYR 342 Cb 0.02 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 1wbv h TYR 342 CO -0.04 0.05 0.63 -0.44 -1.64 0.00 0.00 178.16 176.72 1wbv h ASP 343 N 0.26 0.88 0.07 -2.11 3.32 -1.28 -0.98 116.42 116.58 1wbv h ASP 343 Ca 0.20 0.06 -0.18 0.00 0.02 0.00 0.00 57.03 57.13 1wbv h ASP 343 Cb 0.22 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1wbv h ASP 343 CO -0.23 0.43 -0.66 -0.33 -1.72 0.00 0.00 179.24 176.73 1wbv h GLU 344 N 0.93 0.55 0.32 3.56 4.39 -0.78 -2.30 114.58 121.25 1wbv h GLU 344 Ca 0.52 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1wbv h GLU 344 Cb 0.60 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1wbv h GLU 344 CO -0.29 1.02 -0.16 0.28 -1.16 0.00 0.00 179.01 178.71 1wbv h VAL 345 N 0.40 0.69 -0.24 3.13 2.07 -0.36 -2.88 116.25 119.06 1wbv h VAL 345 Ca -0.02 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1wbv h VAL 345 Cb 1.23 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1wbv h VAL 345 CO 0.12 0.01 0.07 0.40 0.02 0.00 0.00 177.57 178.19 1wbv h ILE 346 N -0.46 1.12 -0.01 4.57 5.03 -1.22 -2.67 117.51 123.87 1wbv h ILE 346 Ca -0.04 -0.40 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 1wbv h ILE 346 Cb 0.35 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 35.00 1wbv h ILE 346 CO 0.07 0.14 -0.14 -1.54 -0.68 0.00 0.00 178.15 176.01 1wbv n SER 347 N -4.40 1.28 -4.72 1.72 3.41 -0.87 -4.94 113.62 105.10 1wbv n SER 347 Ca 0.01 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 1wbv n SER 347 Cb 0.15 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1wbv n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1wbv n PHE 348 N -0.24 2.70 -4.27 7.33 7.35 -1.01 -5.00 117.46 124.32 1wbv n PHE 348 Ca 0.15 0.25 -0.32 0.00 -0.76 0.00 0.00 57.45 56.77 1wbv n PHE 348 Cb 0.36 -2.59 -0.16 0.00 0.35 0.00 0.00 39.48 37.44 1wbv n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1wbv s VAL 349 N 0.23 1.92 0.63 -2.13 1.01 -1.26 -5.06 120.40 115.73 1wbv s VAL 349 Ca 0.67 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 1wbv s VAL 349 Cb -0.53 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1wbv s VAL 349 CO 0.45 0.52 1.29 -2.84 0.00 0.00 0.00 175.10 174.52 1wbv s PRO 350 N 1.18 2.66 0.71 2.72 0.02 -1.26 -5.00 135.00 136.04 1wbv s PRO 350 Ca 0.01 2.04 -0.12 0.00 0.02 0.00 0.00 61.00 62.95 1wbv s PRO 350 Cb -0.14 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.52 1wbv s PRO 350 CO -0.09 -1.50 1.08 -1.25 -0.33 0.00 0.00 177.00 174.91 1wbv s PRO 351 N -3.33 2.67 0.81 5.54 0.04 -1.26 -5.00 135.00 134.46 1wbv s PRO 351 Ca 0.81 1.14 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1wbv s PRO 351 Cb -0.37 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 1wbv s PRO 351 CO 0.39 -1.32 0.49 -2.30 0.04 0.00 0.00 177.00 174.30 1wbv n PRO 352 N -3.07 0.09 0.00 0.56 -0.02 -1.26 -4.99 135.00 126.31 1wbv n PRO 352 Ca 0.09 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1wbv n PRO 352 Cb 0.53 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1wbv n PRO 352 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wbv n LEU 353 N -0.72 0.00 -4.71 2.45 7.99 -1.26 -4.62 117.00 116.13 1wbv n LEU 353 Ca 0.09 0.87 -0.40 0.00 -0.01 0.00 0.00 56.01 56.56 1wbv n LEU 353 Cb 0.51 -0.37 -0.05 0.00 -0.11 0.00 0.00 43.42 43.41 1wbv n LEU 353 CO 0.50 -0.37 0.42 -0.62 -1.51 0.00 0.00 177.39 175.82 1wbv s ASP 354 N -2.02 6.98 0.00 -1.43 -1.08 -1.26 -5.18 116.67 112.68 1wbv s ASP 354 Ca 0.00 1.18 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 1wbv s ASP 354 Cb 0.00 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1wbv s ASP 354 CO 0.00 -0.15 0.00 0.00 0.52 0.00 0.00 175.17 175.54