#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qii h GLU 5 N 0.00 0.00 -0.02 -1.46 4.81 -2.03 -2.40 114.58 113.49 1qii h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qii h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qii h GLU 5 CO 0.00 0.20 -0.03 1.28 -0.73 0.00 0.00 179.01 179.72 1qii n LEU 6 N -3.79 1.62 -4.55 1.64 4.77 -1.26 -4.83 117.00 110.60 1qii n LEU 6 Ca -0.02 -0.53 -0.34 0.00 -0.03 0.00 0.00 56.01 55.09 1qii n LEU 6 Cb 0.30 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1qii n LEU 6 CO 0.33 0.27 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.14 1qii s LEU 7 N -2.06 3.52 -0.01 2.23 2.96 -0.90 0.22 118.68 124.64 1qii s LEU 7 Ca 0.35 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1qii s LEU 7 Cb 0.21 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 1qii s LEU 7 CO 0.35 0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.77 1qii s VAL 8 N 0.53 0.55 -0.39 1.68 1.01 -0.26 -4.77 120.40 118.74 1qii s VAL 8 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1qii s VAL 8 Cb -0.13 -0.47 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1qii s VAL 8 CO 0.02 0.16 0.20 0.21 0.00 0.00 0.00 175.10 175.69 1qii s ASN 9 N -0.05 5.43 0.57 3.32 2.47 -1.26 0.41 114.94 125.83 1qii s ASN 9 Ca 0.01 -1.55 0.06 0.00 0.42 0.00 0.00 52.86 51.80 1qii s ASN 9 Cb -0.04 -1.91 0.07 0.00 -1.45 0.00 0.00 41.25 37.93 1qii s ASN 9 CO -0.00 -0.48 0.79 0.42 -3.72 0.00 0.00 177.10 174.11 1qii s THR 10 N 1.34 2.40 -1.45 -5.21 -4.23 -0.32 -4.95 115.64 103.22 1qii s THR 10 Ca 0.03 -0.85 0.16 0.00 -1.18 0.00 0.00 61.69 59.85 1qii s THR 10 Cb -0.22 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.36 1qii s THR 10 CO 0.00 0.00 1.46 0.29 -0.54 0.00 0.00 174.62 175.84 1qii n LYS 11 N -2.32 0.24 -0.00 3.99 5.02 -1.26 -2.06 118.16 121.76 1qii n LYS 11 Ca 0.13 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.61 1qii n LYS 11 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 1qii n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qii n SER 12 N -1.28 0.82 0.00 4.39 7.64 -1.26 -4.93 113.62 119.00 1qii n SER 12 Ca 0.08 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1qii n SER 12 Cb 0.13 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.42 1qii n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qii n GLY 13 N 1.38 0.92 3.83 0.23 0.00 -0.87 -1.54 105.19 109.13 1qii n GLY 13 Ca 0.02 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1qii n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qii s LYS 14 N -1.12 4.18 -0.04 1.61 1.02 -1.25 -1.17 119.74 122.97 1qii s LYS 14 Ca 0.00 0.96 0.02 0.00 0.02 0.00 0.00 55.97 56.97 1qii s LYS 14 Cb 0.00 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1qii s LYS 14 CO 0.00 0.10 -0.09 0.08 -0.92 0.00 0.00 175.35 174.52 1qii s VAL 15 N -2.00 0.82 -0.34 3.17 1.01 0.16 -0.76 120.40 122.46 1qii s VAL 15 Ca 0.57 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1qii s VAL 15 Cb -0.11 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.57 1qii s VAL 15 CO 0.16 0.26 0.11 -0.32 0.00 0.00 0.00 175.10 175.31 1qii s MET 16 N 0.39 2.57 0.00 2.72 1.75 0.89 -1.10 119.30 126.52 1qii s MET 16 Ca -0.07 -1.23 0.00 0.00 -1.25 0.00 0.00 55.69 53.14 1qii s MET 16 Cb -0.11 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.11 1qii s MET 16 CO 0.01 -0.69 0.00 0.41 -0.65 0.00 0.00 175.02 174.10 1qii n GLY 17 N 4.79 0.14 3.03 2.11 0.00 0.13 -0.69 105.19 114.70 1qii n GLY 17 Ca -0.12 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 1qii n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qii s THR 18 N 0.07 0.05 0.13 2.61 -1.32 -0.07 -4.77 115.64 112.35 1qii s THR 18 Ca 0.00 -0.45 -0.28 0.00 -1.21 0.00 0.00 61.69 59.75 1qii s THR 18 Cb 0.00 -0.28 -0.07 0.00 -1.51 0.00 0.00 72.50 70.64 1qii s THR 18 CO 0.00 -0.25 0.89 -0.60 -2.21 0.00 0.00 174.62 172.45 1qii s ARG 19 N -0.80 4.67 0.02 7.08 3.52 -1.26 -1.08 118.95 131.10 1qii s ARG 19 Ca -0.09 1.34 0.04 0.00 -0.13 0.00 0.00 55.73 56.89 1qii s ARG 19 Cb -0.05 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.98 1qii s ARG 19 CO 0.00 0.34 -0.13 0.14 -0.81 0.00 0.00 175.30 174.85 1qii s VAL 20 N -0.42 1.01 0.25 7.11 -7.23 0.08 -4.95 120.40 116.25 1qii s VAL 20 Ca 0.42 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 1qii s VAL 20 Cb -0.23 -0.89 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1qii s VAL 20 CO 0.28 0.10 0.94 -2.16 -0.31 0.00 0.00 175.10 173.95 1qii s PRO 21 N -0.79 4.83 -0.17 4.82 0.04 -1.26 -1.61 135.00 140.86 1qii s PRO 21 Ca 0.02 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 62.46 1qii s PRO 21 Cb -0.07 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.30 1qii s PRO 21 CO 0.00 0.49 0.40 0.54 0.04 0.00 0.00 177.00 178.48 1qii s VAL 22 N -1.22 -0.05 -1.45 -0.36 0.11 -0.43 -4.94 120.40 112.06 1qii s VAL 22 Ca 0.42 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.55 1qii s VAL 22 Cb -0.25 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.00 1qii s VAL 22 CO 0.31 0.04 0.04 0.18 -3.33 0.00 0.00 175.10 172.35 1qii n LEU 23 N 4.31 -0.86 -3.59 2.54 4.77 -1.26 -0.86 117.00 122.05 1qii n LEU 23 Ca -0.23 -1.22 -0.25 0.00 -0.03 0.00 0.00 56.01 54.28 1qii n LEU 23 Cb 0.55 -1.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.17 1qii n LEU 23 CO 0.08 0.47 -0.05 -1.54 -1.33 0.00 0.00 177.39 175.02 1qii n SER 24 N -2.68 -4.55 -0.38 -1.43 3.41 -1.26 -4.97 113.62 101.76 1qii n SER 24 Ca -0.30 -0.90 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1qii n SER 24 Cb 0.66 -3.94 0.00 0.00 -0.26 0.00 0.00 64.21 60.66 1qii n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qii n SER 25 N -2.90 0.00 -3.81 4.04 2.88 -0.04 -5.20 113.62 108.61 1qii n SER 25 Ca -0.14 -0.38 -0.10 0.00 -1.33 0.00 0.00 58.87 56.92 1qii n SER 25 Cb 0.62 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.01 1qii n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1qii s HIS 26 N -3.86 0.03 0.23 0.66 3.76 -1.26 -1.31 115.29 113.54 1qii s HIS 26 Ca 0.00 -0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 1qii s HIS 26 Cb 0.00 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.70 1qii s HIS 26 CO 0.00 -0.53 0.39 0.96 -0.85 0.00 0.00 174.74 174.71 1qii s ILE 27 N -3.29 0.01 0.15 0.60 -5.25 -0.64 -4.46 121.20 108.33 1qii s ILE 27 Ca 0.00 -1.52 -0.04 0.00 -0.99 0.00 0.00 60.65 58.10 1qii s ILE 27 Cb 0.02 -2.23 -0.05 0.00 2.95 0.00 0.00 42.46 43.15 1qii s ILE 27 CO -0.08 -0.03 0.37 -0.44 -1.79 0.00 0.00 174.94 172.97 1qii s SER 28 N -3.04 6.46 -0.02 4.36 0.01 -0.06 -0.74 113.70 120.67 1qii s SER 28 Ca 0.25 0.54 -0.00 0.00 1.31 0.00 0.00 55.95 58.05 1qii s SER 28 Cb 0.01 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.20 1qii s SER 28 CO 0.09 0.04 0.03 0.00 0.41 0.00 0.00 173.24 173.80 1qii s ALA 29 N -1.69 0.10 -0.37 1.44 0.00 -0.24 -0.98 121.76 120.02 1qii s ALA 29 Ca 0.40 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.68 1qii s ALA 29 Cb -0.12 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 22.84 1qii s ALA 29 CO 0.26 -0.12 0.11 -0.06 0.00 0.00 0.00 175.76 175.95 1qii s PHE 30 N 1.10 3.68 -0.09 0.00 0.40 0.54 -0.89 117.98 122.72 1qii s PHE 30 Ca -0.09 -2.86 -0.06 0.00 -0.60 0.00 0.00 56.93 53.33 1qii s PHE 30 Cb -0.13 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 1qii s PHE 30 CO -0.03 -0.94 0.14 -0.51 0.70 0.00 0.00 175.22 174.58 1qii s LEU 31 N 0.88 4.31 -0.75 -0.37 1.43 0.68 -0.78 118.68 124.08 1qii s LEU 31 Ca 0.11 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 1qii s LEU 31 Cb -0.20 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1qii s LEU 31 CO -0.06 0.37 0.65 0.61 0.23 0.00 0.00 176.35 178.15 1qii n GLY 32 N 1.74 0.12 3.70 -3.19 0.00 -1.13 -3.99 105.19 102.44 1qii n GLY 32 Ca -0.18 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1qii n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qii s ILE 33 N -3.18 4.89 0.31 -0.61 1.01 -0.25 -4.76 121.20 118.62 1qii s ILE 33 Ca 0.31 1.84 -0.27 0.00 0.00 0.00 0.00 60.65 62.53 1qii s ILE 33 Cb -0.14 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1qii s ILE 33 CO 0.40 0.12 0.98 -2.16 0.00 0.00 0.00 174.94 174.29 1qii s PRO 34 N 1.39 4.58 0.00 2.79 0.04 -1.26 -0.01 135.00 142.53 1qii s PRO 34 Ca 0.45 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1qii s PRO 34 Cb -0.19 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1qii s PRO 34 CO 0.21 0.25 0.36 1.97 0.04 0.00 0.00 177.00 179.82 1qii n PHE 35 N 0.74 0.00 -3.61 0.56 1.16 -1.15 -4.91 117.46 110.24 1qii n PHE 35 Ca 0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.48 1qii n PHE 35 Cb 0.49 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.31 1qii n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qii s ALA 36 N -0.00 -1.05 0.45 1.98 0.00 -1.26 -3.49 121.76 118.39 1qii s ALA 36 Ca 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 1qii s ALA 36 Cb 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.68 1qii s ALA 36 CO 0.00 -0.62 1.14 -1.21 0.00 0.00 0.00 175.76 175.07 1qii s GLU 37 N -3.48 3.85 -0.12 0.00 0.41 -0.22 -4.53 118.70 114.60 1qii s GLU 37 Ca 0.01 1.72 -0.32 0.00 -0.41 0.00 0.00 54.97 55.97 1qii s GLU 37 Cb 0.01 -2.44 -0.10 0.00 -1.78 0.00 0.00 34.13 29.82 1qii s GLU 37 CO -0.10 -0.46 2.01 -2.30 -0.49 0.00 0.00 175.26 173.91 1qii n PRO 38 N -0.39 2.14 -0.79 0.39 -0.02 -1.26 -4.71 135.00 130.37 1qii n PRO 38 Ca 0.07 0.74 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 1qii n PRO 38 Cb 0.48 -2.81 -0.09 0.00 -0.02 0.00 0.00 33.50 31.07 1qii n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qii n PRO 39 N 7.43 1.84 -3.06 0.52 -0.04 -1.26 -4.89 135.00 135.54 1qii n PRO 39 Ca 0.26 -1.05 -0.20 0.00 -0.04 0.00 0.00 63.50 62.47 1qii n PRO 39 Cb 0.34 -2.10 0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1qii n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qii s VAL 40 N 2.03 2.02 0.00 0.52 -7.23 -1.26 -3.59 120.40 112.88 1qii s VAL 40 Ca 0.49 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1qii s VAL 40 Cb 0.20 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1qii s VAL 40 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1qii n GLY 41 N -2.28 2.89 0.16 2.32 0.00 -1.26 -0.21 105.19 106.80 1qii n GLY 41 Ca 0.16 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1qii n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qii n ASN 42 N 2.96 0.61 0.03 1.61 4.13 -1.26 -1.88 115.26 121.45 1qii n ASN 42 Ca 0.00 0.75 0.13 0.00 1.68 0.00 0.00 54.58 57.14 1qii n ASN 42 Cb 0.00 -0.84 0.47 0.00 -1.54 0.00 0.00 39.78 37.87 1qii n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1qii n MET 43 N -2.28 0.08 -1.69 3.52 2.81 0.70 -4.80 117.12 115.46 1qii n MET 43 Ca -0.01 0.05 -0.44 0.00 -1.81 0.00 0.00 57.70 55.50 1qii n MET 43 Cb 0.08 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 1qii n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1qii n ARG 44 N -1.71 2.19 0.00 0.03 0.63 -0.79 -1.19 116.66 115.82 1qii n ARG 44 Ca 0.06 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 1qii n ARG 44 Cb 0.37 -2.44 0.00 0.00 0.45 0.00 0.00 32.46 30.84 1qii n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1qii n PHE 45 N 1.48 0.00 -1.99 -0.14 3.72 -1.26 -4.92 117.46 114.36 1qii n PHE 45 Ca 0.09 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.19 1qii n PHE 45 Cb 0.34 -0.18 0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1qii n PHE 45 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1qii s ARG 46 N 0.00 3.20 0.51 -1.08 3.52 -0.33 -4.11 118.95 120.66 1qii s ARG 46 Ca 0.00 0.51 -0.22 0.00 -0.13 0.00 0.00 55.73 55.89 1qii s ARG 46 Cb 0.00 -2.10 -0.06 0.00 -1.56 0.00 0.00 34.95 31.23 1qii s ARG 46 CO 0.00 -0.76 1.21 1.03 -0.81 0.00 0.00 175.30 175.97 1qii s ARG 47 N -5.21 3.46 0.49 5.12 0.52 -1.26 -4.94 118.95 117.13 1qii s ARG 47 Ca 0.56 1.86 -0.22 0.00 -0.52 0.00 0.00 55.73 57.41 1qii s ARG 47 Cb -0.11 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.04 1qii s ARG 47 CO 0.51 -0.82 1.16 -1.25 0.02 0.00 0.00 175.30 174.93 1qii s PRO 48 N -2.91 3.60 0.05 3.54 0.04 -1.26 -5.05 135.00 133.02 1qii s PRO 48 Ca 0.68 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.53 1qii s PRO 48 Cb -0.31 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1qii s PRO 48 CO 0.36 -0.67 -0.08 -1.21 0.04 0.00 0.00 177.00 175.44 1qii s GLU 49 N -2.88 2.37 0.38 4.56 0.41 -1.26 -5.02 118.70 117.26 1qii s GLU 49 Ca 0.67 -0.86 -0.28 0.00 -0.41 0.00 0.00 54.97 54.09 1qii s GLU 49 Cb -0.28 -2.41 -0.11 0.00 -1.78 0.00 0.00 34.13 29.55 1qii s GLU 49 CO 0.33 0.56 1.41 -2.30 -0.49 0.00 0.00 175.26 174.77 1qii n PRO 50 N 1.16 2.43 -2.00 0.39 -0.02 -1.26 -1.06 135.00 134.64 1qii n PRO 50 Ca -0.14 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 1qii n PRO 50 Cb 0.52 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1qii n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qii s LYS 51 N -2.09 4.26 0.26 -0.52 2.47 -1.23 -4.25 119.74 118.64 1qii s LYS 51 Ca 0.55 2.32 -0.30 0.00 -1.56 0.00 0.00 55.97 56.99 1qii s LYS 51 Cb -0.50 -3.09 -0.09 0.00 -1.46 0.00 0.00 37.83 32.68 1qii s LYS 51 CO 0.62 -0.42 1.05 0.15 0.16 0.00 0.00 175.35 176.92 1qii s LYS 52 N -0.59 4.70 0.65 4.03 1.02 -1.26 -4.94 119.74 123.36 1qii s LYS 52 Ca 0.58 1.71 -0.17 0.00 0.02 0.00 0.00 55.97 58.11 1qii s LYS 52 Cb -0.42 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1qii s LYS 52 CO 0.45 0.29 0.91 -2.30 -0.92 0.00 0.00 175.35 173.78 1qii n PRO 53 N 1.38 0.69 -4.29 -1.68 -0.02 -1.26 -5.01 135.00 124.81 1qii n PRO 53 Ca -0.01 0.28 -0.22 0.00 -2.02 0.00 0.00 63.50 61.54 1qii n PRO 53 Cb 0.45 -2.14 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 1qii n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1qii s TRP 54 N -1.65 1.68 0.37 6.00 -2.14 -0.59 -5.04 118.94 117.57 1qii s TRP 54 Ca 0.74 -0.47 0.02 0.00 2.66 0.00 0.00 56.10 59.06 1qii s TRP 54 Cb -0.39 -0.88 -0.02 0.00 -3.10 0.00 0.00 33.47 29.08 1qii s TRP 54 CO 0.49 0.23 0.55 -1.12 -2.66 0.00 0.00 176.95 174.44 1qii s SER 55 N -2.28 6.04 0.10 -2.66 0.01 -1.26 -4.51 113.70 109.14 1qii s SER 55 Ca 0.10 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1qii s SER 55 Cb -0.07 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.52 1qii s SER 55 CO 0.05 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1qii n GLY 56 N -1.82 -2.02 3.55 3.44 0.00 -1.26 -4.83 105.19 102.26 1qii n GLY 56 Ca -0.02 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1qii n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qii s VAL 57 N -0.14 4.33 0.00 1.61 1.01 -1.26 -3.89 120.40 122.07 1qii s VAL 57 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.50 1qii s VAL 57 Cb 0.00 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1qii s VAL 57 CO 0.00 0.46 0.91 0.86 0.00 0.00 0.00 175.10 177.34 1qii s TRP 58 N 0.48 3.67 -0.66 5.22 -0.11 0.06 -4.86 118.94 122.74 1qii s TRP 58 Ca 0.00 1.61 -0.26 0.00 1.22 0.00 0.00 56.10 58.67 1qii s TRP 58 Cb -0.13 -3.03 0.04 0.00 -1.50 0.00 0.00 33.47 28.84 1qii s TRP 58 CO 0.02 0.05 1.17 1.21 -4.62 0.00 0.00 176.95 174.78 1qii s ASN 59 N 0.78 6.27 -0.69 5.86 3.84 -1.26 -0.08 114.94 129.65 1qii s ASN 59 Ca 0.48 -0.35 0.02 0.00 0.21 0.00 0.00 52.86 53.21 1qii s ASN 59 Cb -0.21 -2.52 0.37 0.00 -0.55 0.00 0.00 41.25 38.34 1qii s ASN 59 CO 0.26 -1.61 1.53 0.00 -2.79 0.00 0.00 177.10 174.49 1qii n ALA 60 N 8.64 5.70 0.55 1.71 0.00 0.13 -4.65 120.51 132.59 1qii n ALA 60 Ca 0.03 -4.34 0.06 0.00 0.00 0.00 0.00 53.44 49.19 1qii n ALA 60 Cb 0.48 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1qii n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qii n SER 61 N -0.41 1.43 -4.06 0.00 3.41 -1.25 -0.23 113.62 112.51 1qii n SER 61 Ca 0.45 -1.21 -0.15 0.00 -0.26 0.00 0.00 58.87 57.69 1qii n SER 61 Cb 0.41 0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.66 1qii n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qii s THR 62 N -1.53 0.67 0.70 6.66 -4.23 -1.26 -4.87 115.64 111.78 1qii s THR 62 Ca 0.11 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.57 1qii s THR 62 Cb 0.10 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 73.26 1qii s THR 62 CO 0.30 -0.18 0.87 -1.22 -0.54 0.00 0.00 174.62 173.85 1qii n TYR 63 N 1.88 0.35 -2.34 3.99 4.01 -1.26 -4.07 117.16 119.72 1qii n TYR 63 Ca -0.19 0.39 -0.25 0.00 -0.16 0.00 0.00 57.90 57.69 1qii n TYR 63 Cb 0.55 -2.05 0.15 0.00 -0.31 0.00 0.00 39.34 37.68 1qii n TYR 63 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qii n PRO 64 N -1.47 -0.55 -1.54 -0.72 -0.04 -1.26 -4.88 135.00 124.55 1qii n PRO 64 Ca 0.12 -2.43 -0.29 0.00 -0.04 0.00 0.00 63.50 60.87 1qii n PRO 64 Cb 0.49 -0.92 0.13 0.00 -0.04 0.00 0.00 33.50 33.17 1qii n PRO 64 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qii s ASN 65 N -5.30 3.57 0.06 3.54 0.01 -1.26 -4.88 114.94 110.67 1qii s ASN 65 Ca 0.69 0.99 0.02 0.00 -0.71 0.00 0.00 52.86 53.84 1qii s ASN 65 Cb -0.03 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 40.02 1qii s ASN 65 CO 0.47 -2.52 0.08 0.20 -1.51 0.00 0.00 177.10 173.82 1qii s ASN 66 N -4.02 5.59 0.66 -1.22 0.02 -0.77 -4.83 114.94 110.36 1qii s ASN 66 Ca 0.64 0.04 -0.18 0.00 -1.02 0.00 0.00 52.86 52.34 1qii s ASN 66 Cb -0.15 -1.53 -0.01 0.00 0.02 0.00 0.00 41.25 39.58 1qii s ASN 66 CO 0.53 0.20 1.27 0.00 0.02 0.00 0.00 177.10 179.12 1qii s GLN 68 N -3.39 4.16 0.25 0.00 -1.52 -1.22 -4.56 119.66 113.37 1qii s GLN 68 Ca 0.82 2.51 -0.16 0.00 -1.95 0.00 0.00 55.36 56.59 1qii s GLN 68 Cb -0.38 -3.34 0.01 0.00 -0.22 0.00 0.00 33.01 29.08 1qii s GLN 68 CO 0.41 -0.75 0.54 1.14 -0.25 0.00 0.00 175.29 176.38 1qii s GLN 69 N 1.91 1.57 0.36 2.91 -2.07 -1.26 -4.71 119.66 118.38 1qii s GLN 69 Ca 0.76 -1.12 -0.26 0.00 -1.82 0.00 0.00 55.36 52.92 1qii s GLN 69 Cb -0.46 0.51 -0.09 0.00 -1.09 0.00 0.00 33.01 31.89 1qii s GLN 69 CO 0.33 -0.67 1.12 -0.47 -1.32 0.00 0.00 175.29 174.28 1qii s TYR 70 N -3.97 3.26 -0.14 9.60 5.04 -1.25 -5.03 117.35 124.87 1qii s TYR 70 Ca 0.17 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.43 1qii s TYR 70 Cb -0.02 -3.30 0.01 0.00 0.35 0.00 0.00 41.96 39.00 1qii s TYR 70 CO 0.06 -0.94 -0.18 0.08 -1.34 0.00 0.00 175.55 173.24 1qii s VAL 71 N -1.40 1.79 0.06 3.14 1.01 -1.26 -4.87 120.40 118.87 1qii s VAL 71 Ca 0.53 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1qii s VAL 71 Cb -0.29 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.40 1qii s VAL 71 CO 0.37 0.50 1.45 -0.62 0.00 0.00 0.00 175.10 176.79 1qii s ASP 72 N 1.04 6.79 -0.08 3.32 2.15 -1.26 -4.89 116.67 123.74 1qii s ASP 72 Ca -0.04 2.28 0.14 0.00 0.43 0.00 0.00 52.55 55.36 1qii s ASP 72 Cb -0.15 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.19 1qii s ASP 72 CO -0.05 -0.73 1.13 -0.62 -0.17 0.00 0.00 175.17 174.74 1qii n GLU 73 N 4.81 0.67 0.22 4.34 1.02 -1.26 -4.80 120.64 125.64 1qii n GLU 73 Ca 0.13 -2.18 0.07 0.00 -0.02 0.00 0.00 57.16 55.16 1qii n GLU 73 Cb 0.42 -0.86 0.50 0.00 -0.02 0.00 0.00 31.44 31.48 1qii n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1qii h GLN 74 N 0.51 0.00 -1.96 3.49 5.75 -2.01 -3.35 115.11 117.54 1qii h GLN 74 Ca -0.06 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 57.89 1qii h GLN 74 Cb 1.35 0.00 -0.38 0.00 1.07 0.00 0.00 27.48 29.52 1qii h GLN 74 CO 0.03 0.26 -1.06 1.19 -2.65 0.00 0.00 178.83 176.61 1qii n PHE 75 N -3.83 -0.63 -1.59 3.99 3.72 -1.26 -5.12 117.46 112.74 1qii n PHE 75 Ca -0.02 -3.42 -0.50 0.00 -0.05 0.00 0.00 57.45 53.47 1qii n PHE 75 Cb 0.35 -0.14 -0.05 0.00 -0.94 0.00 0.00 39.48 38.70 1qii n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qii n PRO 76 N 1.68 1.20 0.00 -1.08 -0.02 -1.26 -1.49 135.00 134.03 1qii n PRO 76 Ca 0.22 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1qii n PRO 76 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1qii n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qii n GLY 77 N 2.31 2.00 3.54 -1.23 0.00 -1.26 -4.99 105.19 105.56 1qii n GLY 77 Ca 0.17 -0.38 -0.55 0.00 0.00 0.00 0.00 46.02 45.25 1qii n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qii n PHE 78 N 0.00 1.74 -0.27 1.61 7.35 -0.55 -4.83 117.46 122.51 1qii n PHE 78 Ca 0.00 0.47 -0.02 0.00 -0.76 0.00 0.00 57.45 57.14 1qii n PHE 78 Cb 0.00 -2.46 0.17 0.00 0.35 0.00 0.00 39.48 37.53 1qii n PHE 78 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1qii h SER 79 N 9.57 0.99 -1.14 -2.13 4.64 -1.94 -1.98 113.55 121.55 1qii h SER 79 Ca -0.33 -0.06 0.32 0.00 -0.47 0.00 0.00 61.79 61.24 1qii h SER 79 Cb 1.33 -0.25 -0.09 0.00 -0.31 0.00 0.00 62.40 63.08 1qii h SER 79 CO 1.00 0.77 0.75 1.23 -0.87 0.00 0.00 176.83 179.72 1qii h GLY 80 N 1.15 0.95 0.00 -0.77 0.00 -1.95 -1.37 103.07 101.08 1qii h GLY 80 Ca 0.29 -0.14 -0.25 0.00 0.00 0.00 0.00 47.33 47.23 1qii h GLY 80 CO -0.05 -0.16 -1.95 -1.14 0.00 0.00 0.00 176.54 173.25 1qii n SER 81 N -4.53 1.82 0.19 0.19 3.41 -1.07 -4.56 113.62 109.07 1qii n SER 81 Ca 0.28 -0.02 0.06 0.00 -0.26 0.00 0.00 58.87 58.93 1qii n SER 81 Cb 1.08 0.63 0.36 0.00 -0.26 0.00 0.00 64.21 66.02 1qii n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qii h GLU 82 N 0.00 0.00 0.00 4.33 5.08 -1.08 -2.83 114.58 120.09 1qii h GLU 82 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1qii h GLU 82 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1qii h GLU 82 CO 0.01 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.37 1qii n MET 83 N -3.52 0.07 -0.00 2.33 0.00 -0.54 -0.80 117.12 114.65 1qii n MET 83 Ca -0.00 0.19 0.06 0.00 0.00 0.00 0.00 57.70 57.94 1qii n MET 83 Cb 0.49 -1.50 -0.08 0.00 0.00 0.00 0.00 33.22 32.13 1qii n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1qii n TRP 84 N -1.21 0.00 -1.27 3.17 7.02 -1.07 -4.74 117.44 119.34 1qii n TRP 84 Ca 0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.19 1qii n TRP 84 Cb 0.03 -0.20 0.11 0.00 -2.42 0.00 0.00 31.31 28.82 1qii n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1qii s ASN 85 N -3.01 4.19 0.19 -0.99 0.01 0.02 -4.73 114.94 110.61 1qii s ASN 85 Ca -0.02 1.68 -0.31 0.00 -0.71 0.00 0.00 52.86 53.49 1qii s ASN 85 Cb 0.08 -2.38 -0.10 0.00 0.41 0.00 0.00 41.25 39.26 1qii s ASN 85 CO 0.48 -2.21 1.52 -2.84 -1.51 0.00 0.00 177.10 172.54 1qii s PRO 86 N -4.93 4.24 -0.29 -0.60 0.02 -1.26 -4.90 135.00 127.27 1qii s PRO 86 Ca 0.62 2.32 0.11 0.00 0.02 0.00 0.00 61.00 64.07 1qii s PRO 86 Cb -0.17 -3.15 0.63 0.00 0.02 0.00 0.00 34.50 31.83 1qii s PRO 86 CO 0.56 -0.54 1.64 0.27 -0.33 0.00 0.00 177.00 178.60 1qii n ASN 87 N 3.46 3.95 -3.97 2.53 6.94 -1.26 -4.95 115.26 121.96 1qii n ASN 87 Ca 0.11 -3.33 -0.09 0.00 -0.02 0.00 0.00 54.58 51.25 1qii n ASN 87 Cb 0.39 -0.68 -0.08 0.00 -2.36 0.00 0.00 39.78 37.06 1qii n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1qii s ARG 88 N -3.04 0.99 0.21 -3.83 1.81 -1.26 -5.10 118.95 108.74 1qii s ARG 88 Ca 0.50 -1.15 -0.32 0.00 -1.72 0.00 0.00 55.73 53.03 1qii s ARG 88 Cb 0.41 0.34 -0.14 0.00 -0.45 0.00 0.00 34.95 35.11 1qii s ARG 88 CO 0.09 -0.33 1.45 -1.91 -0.68 0.00 0.00 175.30 173.92 1qii n GLU 89 N -0.13 2.04 -3.18 3.54 4.07 -1.26 -4.52 120.64 121.20 1qii n GLU 89 Ca -0.10 0.73 -0.33 0.00 -0.06 0.00 0.00 57.16 57.40 1qii n GLU 89 Cb 0.63 -2.42 -0.06 0.00 -0.06 0.00 0.00 31.44 29.53 1qii n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1qii s MET 90 N 0.01 4.03 -0.12 5.31 -1.94 -1.26 -1.86 119.30 123.47 1qii s MET 90 Ca 0.72 0.65 -0.30 0.00 -1.71 0.00 0.00 55.69 55.05 1qii s MET 90 Cb -0.67 -2.60 0.10 0.00 2.01 0.00 0.00 34.83 33.67 1qii s MET 90 CO 0.46 0.26 0.85 0.45 -0.01 0.00 0.00 175.02 177.03 1qii s SER 91 N -2.09 -0.51 0.53 3.03 0.15 -0.16 -4.89 113.70 109.76 1qii s SER 91 Ca 0.49 0.58 0.30 0.00 0.70 0.00 0.00 55.95 58.02 1qii s SER 91 Cb -0.12 0.45 1.42 0.00 -1.71 0.00 0.00 66.02 66.06 1qii s SER 91 CO 0.19 -0.45 2.03 -0.33 1.20 0.00 0.00 173.24 175.88 1qii h GLU 92 N 2.87 0.00 -5.15 5.44 5.08 -1.94 -3.22 114.58 117.64 1qii h GLU 92 Ca -0.23 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.43 1qii h GLU 92 Cb 1.15 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 1qii h GLU 92 CO 0.33 0.11 1.42 0.34 -1.00 0.00 0.00 179.01 180.21 1qii s ASP 93 N -5.96 6.87 0.00 1.42 2.15 -1.26 -4.38 116.67 115.52 1qii s ASP 93 Ca -0.01 -2.53 0.00 0.00 0.43 0.00 0.00 52.55 50.43 1qii s ASP 93 Cb 0.12 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1qii s ASP 93 CO 0.57 -0.97 0.21 0.00 -0.17 0.00 0.00 175.17 174.81 1qii s LEU 95 N -0.82 3.52 0.20 0.00 1.43 -1.26 -4.76 118.68 117.00 1qii s LEU 95 Ca 0.00 -2.09 0.04 0.00 -1.03 0.00 0.00 54.13 51.04 1qii s LEU 95 Cb 0.00 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.59 1qii s LEU 95 CO 0.00 -1.92 -0.03 -0.31 0.23 0.00 0.00 176.35 174.32 1qii s TYR 96 N 6.89 1.44 0.13 0.29 1.51 -1.26 -2.94 117.35 123.40 1qii s TYR 96 Ca 0.59 -0.88 0.05 0.00 -1.01 0.00 0.00 57.07 55.82 1qii s TYR 96 Cb 0.02 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 41.03 1qii s TYR 96 CO 0.09 -0.02 -0.13 -0.48 -1.11 0.00 0.00 175.55 173.90 1qii s LEU 97 N -3.25 2.43 -0.05 -1.29 0.05 0.99 -3.24 118.68 114.31 1qii s LEU 97 Ca 0.24 -0.85 0.06 0.00 0.05 0.00 0.00 54.13 53.63 1qii s LEU 97 Cb 0.05 -0.49 -0.02 0.00 -2.05 0.00 0.00 46.19 43.68 1qii s LEU 97 CO 0.06 -0.19 -0.23 0.20 -0.55 0.00 0.00 176.35 175.64 1qii s ASN 98 N -2.60 3.28 -0.08 1.48 0.01 0.16 -1.09 114.94 116.11 1qii s ASN 98 Ca 0.10 -0.44 0.03 0.00 -0.71 0.00 0.00 52.86 51.84 1qii s ASN 98 Cb -0.03 -0.77 0.01 0.00 0.41 0.00 0.00 41.25 40.86 1qii s ASN 98 CO 0.02 0.27 -0.17 -0.63 -1.51 0.00 0.00 177.10 175.09 1qii s ILE 99 N -0.33 1.52 -0.24 0.60 1.01 0.04 -1.07 121.20 122.73 1qii s ILE 99 Ca 0.02 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 1qii s ILE 99 Cb -0.12 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.02 1qii s ILE 99 CO 0.02 0.44 -0.04 0.26 0.00 0.00 0.00 174.94 175.62 1qii s TRP 100 N 0.47 3.03 -0.09 3.97 0.51 0.10 -0.34 118.94 126.58 1qii s TRP 100 Ca -0.15 -1.29 0.02 0.00 -2.12 0.00 0.00 56.10 52.56 1qii s TRP 100 Cb -0.16 -2.09 -0.02 0.00 -0.81 0.00 0.00 33.47 30.39 1qii s TRP 100 CO 0.06 -0.66 -0.15 0.08 -0.51 0.00 0.00 176.95 175.77 1qii s VAL 101 N 1.40 2.93 1.01 4.03 1.01 -0.15 -1.90 120.40 128.73 1qii s VAL 101 Ca 0.03 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1qii s VAL 101 Cb -0.16 -2.19 0.20 0.00 0.00 0.00 0.00 36.38 34.24 1qii s VAL 101 CO -0.04 0.55 1.10 -2.84 0.00 0.00 0.00 175.10 173.88 1qii s PRO 102 N -0.07 0.26 -0.06 2.72 0.02 -1.26 -0.89 135.00 135.73 1qii s PRO 102 Ca -0.03 1.30 0.01 0.00 0.02 0.00 0.00 61.00 62.30 1qii s PRO 102 Cb -0.14 -1.66 0.02 0.00 0.02 0.00 0.00 34.50 32.74 1qii s PRO 102 CO 0.04 -3.07 -0.05 0.45 -0.33 0.00 0.00 177.00 174.05 1qii s SER 103 N -2.59 1.24 0.61 2.53 0.15 -1.26 -2.97 113.70 111.40 1qii s SER 103 Ca 0.67 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.99 1qii s SER 103 Cb -0.24 -0.52 -0.03 0.00 -1.71 0.00 0.00 66.02 63.53 1qii s SER 103 CO 0.61 -0.07 1.18 -2.16 1.20 0.00 0.00 173.24 173.99 1qii s PRO 104 N 1.13 2.92 0.12 5.44 0.04 -1.26 -4.98 135.00 138.41 1qii s PRO 104 Ca -0.07 1.73 -0.35 0.00 0.04 0.00 0.00 61.00 62.34 1qii s PRO 104 Cb -0.14 -1.93 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 1qii s PRO 104 CO -0.01 -1.23 1.35 -2.13 0.04 0.00 0.00 177.00 175.02 1qii n ARG 105 N -1.77 1.36 -1.19 4.56 0.63 -1.16 -4.96 116.66 114.13 1qii n ARG 105 Ca 0.13 0.49 -0.29 0.00 -0.92 0.00 0.00 57.85 57.26 1qii n ARG 105 Cb 0.50 -2.13 0.20 0.00 0.45 0.00 0.00 32.46 31.48 1qii n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1qii s PRO 106 N 0.34 -0.09 -0.25 -0.14 0.02 -1.26 -5.01 135.00 128.62 1qii s PRO 106 Ca 0.81 0.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.07 1qii s PRO 106 Cb -0.87 -1.70 -0.15 0.00 0.02 0.00 0.00 34.50 31.80 1qii s PRO 106 CO 0.46 -3.02 -0.24 1.63 -0.33 0.00 0.00 177.00 175.50 1qii n LYS 107 N -4.34 0.59 -2.74 5.54 4.76 -1.26 -4.29 118.16 116.42 1qii n LYS 107 Ca 0.08 0.16 -0.08 0.00 -2.87 0.00 0.00 58.31 55.60 1qii n LYS 107 Cb 0.58 -1.47 0.07 0.00 -1.84 0.00 0.00 35.03 32.37 1qii n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qii n SER 108 N -3.44 -2.66 -4.96 4.39 2.88 -0.96 -4.60 113.62 104.27 1qii n SER 108 Ca -0.45 -3.40 -0.21 0.00 -1.33 0.00 0.00 58.87 53.48 1qii n SER 108 Cb 0.93 1.84 0.04 0.00 -0.75 0.00 0.00 64.21 66.27 1qii n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qii s THR 109 N 0.53 2.63 0.33 2.46 -1.32 0.58 -4.49 115.64 116.37 1qii s THR 109 Ca 0.28 -0.66 -0.29 0.00 -1.21 0.00 0.00 61.69 59.81 1qii s THR 109 Cb 0.25 -2.97 -0.11 0.00 -1.51 0.00 0.00 72.50 68.17 1qii s THR 109 CO -0.18 0.00 1.39 -0.89 -2.21 0.00 0.00 174.62 172.73 1qii s THR 110 N -2.78 2.48 -0.04 5.08 2.01 -1.26 -0.04 115.64 121.08 1qii s THR 110 Ca 0.58 0.47 0.02 0.00 0.31 0.00 0.00 61.69 63.06 1qii s THR 110 Cb -0.10 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1qii s THR 110 CO 0.39 0.11 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 1qii s VAL 111 N -0.95 3.69 -0.11 3.82 1.01 -0.83 -1.40 120.40 125.64 1qii s VAL 111 Ca 0.52 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.92 1qii s VAL 111 Cb -0.42 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1qii s VAL 111 CO 0.55 0.53 -0.07 -0.04 0.00 0.00 0.00 175.10 176.06 1qii s MET 112 N -1.03 1.47 -0.23 2.72 -1.94 -0.51 -1.17 119.30 118.60 1qii s MET 112 Ca 0.14 -0.24 -0.06 0.00 -1.71 0.00 0.00 55.69 53.82 1qii s MET 112 Cb -0.11 -1.52 -0.02 0.00 2.01 0.00 0.00 34.83 35.19 1qii s MET 112 CO 0.04 -0.24 0.03 0.08 -0.01 0.00 0.00 175.02 174.91 1qii s VAL 113 N 1.62 3.99 -0.17 -6.03 1.01 0.46 -0.47 120.40 120.82 1qii s VAL 113 Ca 0.03 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1qii s VAL 113 Cb -0.13 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1qii s VAL 113 CO -0.07 0.38 0.19 0.86 0.00 0.00 0.00 175.10 176.46 1qii s TRP 114 N 1.44 3.47 -0.28 5.22 -0.11 0.11 -1.11 118.94 127.68 1qii s TRP 114 Ca 0.05 0.47 -0.00 0.00 1.22 0.00 0.00 56.10 57.83 1qii s TRP 114 Cb -0.15 -2.19 0.05 0.00 -1.50 0.00 0.00 33.47 29.69 1qii s TRP 114 CO 0.01 0.36 -0.04 0.42 -4.62 0.00 0.00 176.95 173.08 1qii s ILE 115 N 0.12 2.75 0.74 5.86 1.01 -0.54 -2.96 121.20 128.19 1qii s ILE 115 Ca 0.12 -1.41 -0.14 0.00 0.00 0.00 0.00 60.65 59.23 1qii s ILE 115 Cb -0.12 -2.57 0.04 0.00 0.01 0.00 0.00 42.46 39.83 1qii s ILE 115 CO 0.01 -0.05 1.16 -0.72 0.00 0.00 0.00 174.94 175.34 1qii s TYR 116 N 1.22 2.22 0.00 3.97 -0.85 -1.26 -3.56 117.35 119.09 1qii s TYR 116 Ca -0.06 1.61 0.00 0.00 -0.52 0.00 0.00 57.07 58.10 1qii s TYR 116 Cb -0.19 -3.32 0.00 0.00 0.38 0.00 0.00 41.96 38.83 1qii s TYR 116 CO -0.03 -2.27 0.00 0.41 -1.52 0.00 0.00 175.55 172.15 1qii n GLY 117 N -0.08 1.91 0.00 5.49 0.00 -1.19 -3.58 105.19 107.75 1qii n GLY 117 Ca 0.12 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1qii n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qii n GLY 118 N 5.00 0.00 2.55 -0.02 0.00 -1.26 -4.24 105.19 107.22 1qii n GLY 118 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1qii n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qii n GLY 119 N 0.00 1.58 2.66 -0.02 0.00 -1.26 -2.02 105.19 106.14 1qii n GLY 119 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1qii n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qii n PHE 120 N -2.45 0.00 -0.17 1.61 3.72 -1.26 -4.77 117.46 114.14 1qii n PHE 120 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1qii n PHE 120 Cb 0.57 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1qii n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1qii n TYR 121 N -2.37 0.00 -3.79 1.38 0.18 -0.86 -0.53 117.16 111.17 1qii n TYR 121 Ca 0.00 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.69 1qii n TYR 121 Cb 0.29 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.26 1qii n TYR 121 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1qii n SER 122 N -0.13 -1.90 0.00 9.48 3.41 -0.93 -3.82 113.62 119.73 1qii n SER 122 Ca 0.00 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1qii n SER 122 Cb 0.04 3.23 0.00 0.00 -0.26 0.00 0.00 64.21 67.22 1qii n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qii n GLY 123 N -0.50 3.49 3.15 5.00 0.00 -1.26 -4.23 105.19 110.84 1qii n GLY 123 Ca -0.06 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1qii n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qii s SER 124 N 0.00 0.06 0.02 1.61 0.01 -1.26 -4.71 113.70 109.43 1qii s SER 124 Ca 0.00 -0.35 0.25 0.00 1.31 0.00 0.00 55.95 57.15 1qii s SER 124 Cb 0.00 0.26 0.41 0.00 0.21 0.00 0.00 66.02 66.89 1qii s SER 124 CO 0.00 -0.50 1.34 -1.54 0.41 0.00 0.00 173.24 172.95 1qii n SER 125 N 0.90 0.56 -1.00 2.44 3.41 -1.26 -4.13 113.62 114.53 1qii n SER 125 Ca -0.20 -0.24 0.09 0.00 -0.26 0.00 0.00 58.87 58.26 1qii n SER 125 Cb 0.58 0.33 0.24 0.00 -0.26 0.00 0.00 64.21 65.09 1qii n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qii n THR 126 N -1.61 0.74 -2.02 6.66 -2.24 -1.26 -4.83 114.28 109.71 1qii n THR 126 Ca 0.05 -0.72 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 1qii n THR 126 Cb 0.36 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1qii n THR 126 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qii s LEU 127 N -1.02 3.61 0.20 3.22 1.43 -1.26 -4.89 118.68 119.98 1qii s LEU 127 Ca 0.36 2.21 -0.11 0.00 -1.03 0.00 0.00 54.13 55.56 1qii s LEU 127 Cb 0.19 -4.58 0.17 0.00 0.03 0.00 0.00 46.19 42.00 1qii s LEU 127 CO 0.24 -1.49 1.85 0.44 0.23 0.00 0.00 176.35 177.62 1qii h ASP 128 N 0.74 0.71 -0.08 2.29 3.32 -1.93 -1.50 116.42 119.97 1qii h ASP 128 Ca -0.49 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.58 1qii h ASP 128 Cb 1.27 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.66 1qii h ASP 128 CO 0.55 0.50 0.20 0.58 -1.72 0.00 0.00 179.24 179.35 1qii h VAL 129 N 0.85 0.18 -0.53 -1.35 2.07 -1.91 -1.94 116.25 113.61 1qii h VAL 129 Ca 0.27 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1qii h VAL 129 Cb -0.00 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1qii h VAL 129 CO -0.10 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.27 1qii n TYR 130 N -3.29 1.81 -1.93 1.57 4.01 -0.57 -4.75 117.16 114.02 1qii n TYR 130 Ca -0.01 -0.74 -0.43 0.00 -0.16 0.00 0.00 57.90 56.57 1qii n TYR 130 Cb 0.28 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 1qii n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qii s ASN 131 N -0.99 5.81 0.13 7.72 3.84 -0.73 -4.88 114.94 125.84 1qii s ASN 131 Ca 0.52 1.40 0.20 0.00 0.21 0.00 0.00 52.86 55.19 1qii s ASN 131 Cb 0.39 -2.52 0.83 0.00 -0.55 0.00 0.00 41.25 39.40 1qii s ASN 131 CO 0.16 -1.76 1.62 0.61 -2.79 0.00 0.00 177.10 174.94 1qii n GLY 132 N 5.48 -1.19 0.29 1.21 0.00 -1.26 -3.93 105.19 105.79 1qii n GLY 132 Ca 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1qii n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qii h LYS 133 N 0.00 0.91 -0.46 1.61 2.10 -1.93 -0.25 116.57 118.55 1qii h LYS 133 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1qii h LYS 133 Cb 0.34 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.44 1qii h LYS 133 CO 0.00 0.60 0.29 1.88 -2.00 0.00 0.00 179.45 180.22 1qii h TYR 134 N 0.93 0.60 -0.17 0.07 0.05 -1.80 0.43 116.97 117.07 1qii h TYR 134 Ca 0.31 0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.99 1qii h TYR 134 Cb 0.04 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.58 1qii h TYR 134 CO -0.04 0.40 -0.32 1.25 -1.05 0.00 0.00 178.16 178.40 1qii h LEU 135 N 0.62 0.58 -0.47 3.88 5.85 -1.66 0.25 115.31 124.37 1qii h LEU 135 Ca 0.17 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1qii h LEU 135 Cb -0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1qii h LEU 135 CO -0.03 1.02 0.26 0.00 -0.34 0.00 0.00 178.44 179.35 1qii h ALA 136 N 0.58 0.60 0.70 1.25 0.00 -0.93 -1.17 119.26 120.29 1qii h ALA 136 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qii h ALA 136 Cb 0.91 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1qii h ALA 136 CO 0.07 -0.06 -0.34 -0.92 0.00 0.00 0.00 179.25 178.01 1qii h TYR 137 N 0.53 -0.87 -0.96 0.00 3.20 -0.86 0.11 116.97 118.10 1qii h TYR 137 Ca 0.20 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.10 1qii h TYR 137 Cb 0.05 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1qii h TYR 137 CO -0.08 -0.54 0.63 1.15 -1.64 0.00 0.00 178.16 177.67 1qii h THR 138 N -1.14 1.11 -0.01 1.81 2.02 -0.88 -3.07 112.91 112.76 1qii h THR 138 Ca -0.10 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1qii h THR 138 Cb 0.72 -0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1qii h THR 138 CO 0.16 0.21 -0.57 -0.62 0.37 0.00 0.00 175.52 175.06 1qii n GLU 139 N -4.48 1.30 -2.98 6.66 -0.58 -0.45 -5.02 120.64 115.10 1qii n GLU 139 Ca 0.14 -0.56 -0.13 0.00 -0.42 0.00 0.00 57.16 56.20 1qii n GLU 139 Cb 0.16 -1.36 0.06 0.00 -0.57 0.00 0.00 31.44 29.73 1qii n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1qii n GLU 140 N -0.59 -2.37 -4.19 3.49 1.02 0.01 -5.05 120.64 112.96 1qii n GLU 140 Ca 0.06 0.72 -0.13 0.00 -0.02 0.00 0.00 57.16 57.79 1qii n GLU 140 Cb 0.36 -5.11 -0.10 0.00 -0.02 0.00 0.00 31.44 26.56 1qii n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qii s VAL 141 N -3.32 0.91 -0.26 2.62 -7.23 -1.09 -4.69 120.40 107.35 1qii s VAL 141 Ca 0.33 -1.86 -0.24 0.00 -1.81 0.00 0.00 61.98 58.40 1qii s VAL 141 Cb -0.04 -1.60 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 1qii s VAL 141 CO 0.61 -0.72 0.83 -0.69 -0.31 0.00 0.00 175.10 174.82 1qii s VAL 142 N -3.09 4.82 -0.25 1.32 1.01 -0.49 -4.47 120.40 119.24 1qii s VAL 142 Ca 0.11 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 63.50 1qii s VAL 142 Cb 0.01 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1qii s VAL 142 CO -0.01 -0.12 0.12 -0.22 0.00 0.00 0.00 175.10 174.86 1qii s LEU 143 N 2.89 3.73 -0.07 3.92 1.98 -0.80 -1.43 118.68 128.91 1qii s LEU 143 Ca 0.35 -0.08 0.05 0.00 -2.89 0.00 0.00 54.13 51.55 1qii s LEU 143 Cb -0.15 -2.01 -0.01 0.00 0.66 0.00 0.00 46.19 44.68 1qii s LEU 143 CO 0.08 -0.01 -0.21 -0.69 -1.89 0.00 0.00 176.35 173.63 1qii s VAL 144 N 1.49 2.37 -0.10 1.68 1.01 0.38 -0.72 120.40 126.51 1qii s VAL 144 Ca 0.06 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1qii s VAL 144 Cb -0.15 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1qii s VAL 144 CO 0.06 0.57 -0.14 -0.94 0.00 0.00 0.00 175.10 174.65 1qii s SER 145 N -0.15 2.27 0.58 3.32 1.04 -0.23 0.07 113.70 120.61 1qii s SER 145 Ca -0.03 -0.39 0.08 0.00 0.48 0.00 0.00 55.95 56.09 1qii s SER 145 Cb -0.14 -1.01 0.08 0.00 0.10 0.00 0.00 66.02 65.05 1qii s SER 145 CO 0.04 0.00 0.65 -1.48 0.98 0.00 0.00 173.24 173.42 1qii s LEU 146 N 1.03 2.86 0.18 2.42 0.05 -1.15 -0.66 118.68 123.40 1qii s LEU 146 Ca -0.06 -1.07 0.01 0.00 0.05 0.00 0.00 54.13 53.05 1qii s LEU 146 Cb -0.15 -1.33 -0.04 0.00 -2.05 0.00 0.00 46.19 42.61 1qii s LEU 146 CO -0.02 -1.31 0.05 -0.94 -0.55 0.00 0.00 176.35 173.59 1qii s SER 147 N -4.54 0.81 0.10 1.48 1.04 -1.20 -4.63 113.70 106.76 1qii s SER 147 Ca 0.50 -1.25 -0.24 0.00 0.48 0.00 0.00 55.95 55.43 1qii s SER 147 Cb -0.04 0.21 0.07 0.00 0.10 0.00 0.00 66.02 66.36 1qii s SER 147 CO 0.31 -0.68 0.60 -0.72 0.98 0.00 0.00 173.24 173.73 1qii s TYR 148 N -3.85 -0.54 0.27 5.02 1.13 -1.26 -4.58 117.35 113.53 1qii s TYR 148 Ca 0.29 0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 56.17 1qii s TYR 148 Cb 0.07 0.48 -0.09 0.00 -1.10 0.00 0.00 41.96 41.32 1qii s TYR 148 CO 0.06 -0.76 1.20 1.03 -2.51 0.00 0.00 175.55 174.57 1qii s ARG 149 N -3.00 4.51 0.50 -3.49 0.52 -1.26 -4.89 118.95 111.84 1qii s ARG 149 Ca -0.02 1.96 0.03 0.00 -0.52 0.00 0.00 55.73 57.17 1qii s ARG 149 Cb -0.01 -3.17 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 1qii s ARG 149 CO -0.06 -0.00 0.07 0.14 0.02 0.00 0.00 175.30 175.46 1qii s VAL 150 N -0.82 1.37 0.00 3.52 -7.23 -1.26 -4.24 120.40 111.74 1qii s VAL 150 Ca 0.48 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1qii s VAL 150 Cb -0.35 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1qii s VAL 150 CO 0.43 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1qii n GLY 151 N -1.30 0.96 0.32 2.32 0.00 0.31 -2.55 105.19 105.25 1qii n GLY 151 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1qii n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qii h ALA 152 N -0.96 1.45 -0.31 4.61 0.00 -1.90 -1.30 119.26 120.84 1qii h ALA 152 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1qii h ALA 152 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1qii h ALA 152 CO 0.00 0.45 0.24 0.74 0.00 0.00 0.00 179.25 180.67 1qii h PHE 153 N 0.78 0.00 -0.00 0.00 0.04 -1.90 -2.25 116.94 113.61 1qii h PHE 153 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 1qii h PHE 153 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1qii h PHE 153 CO 0.01 0.00 -0.07 0.41 -0.60 0.00 0.00 178.31 178.05 1qii n GLY 154 N -1.57 -0.01 0.00 -1.45 0.00 -0.93 -4.17 105.19 97.06 1qii n GLY 154 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1qii n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qii n PHE 155 N -0.58 0.00 -1.72 1.61 3.72 -0.54 -0.90 117.46 119.05 1qii n PHE 155 Ca 0.01 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 1qii n PHE 155 Cb 0.05 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1qii n PHE 155 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1qii s LEU 156 N -0.17 4.38 -0.17 4.37 2.96 -0.86 -4.49 118.68 124.71 1qii s LEU 156 Ca 0.00 2.84 -0.01 0.00 -0.22 0.00 0.00 54.13 56.75 1qii s LEU 156 Cb 0.00 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.14 1qii s LEU 156 CO 0.00 -0.98 -0.03 0.00 -1.32 0.00 0.00 176.35 174.01 1qii s ALA 157 N 1.56 1.37 -0.68 5.97 0.00 -1.26 -3.74 121.76 124.98 1qii s ALA 157 Ca 0.76 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1qii s ALA 157 Cb -0.49 -1.12 0.22 0.00 0.00 0.00 0.00 23.12 21.74 1qii s ALA 157 CO 0.33 -0.84 0.68 1.28 0.00 0.00 0.00 175.76 177.21 1qii n LEU 158 N 4.91 3.58 -4.47 0.00 4.77 -0.50 -3.14 117.00 122.16 1qii n LEU 158 Ca -0.11 -5.36 -0.44 0.00 -0.03 0.00 0.00 56.01 50.07 1qii n LEU 158 Cb 0.48 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1qii n LEU 158 CO 0.16 1.94 0.18 1.57 -1.33 0.00 0.00 177.39 179.91 1qii n HIS 159 N 1.26 -0.02 0.00 -1.77 -0.00 -1.26 -2.45 115.22 110.98 1qii n HIS 159 Ca 0.26 0.73 0.00 0.00 -0.00 0.00 0.00 57.72 58.71 1qii n HIS 159 Cb 0.39 -2.05 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 1qii n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qii n GLY 160 N 1.69 2.78 3.90 1.57 0.00 -1.26 -5.05 105.19 108.82 1qii n GLY 160 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1qii n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qii s SER 161 N 0.25 5.36 0.00 1.61 1.04 -1.03 -5.03 113.70 115.91 1qii s SER 161 Ca 0.00 -0.52 0.13 0.00 0.48 0.00 0.00 55.95 56.04 1qii s SER 161 Cb 0.00 -0.83 0.15 0.00 0.10 0.00 0.00 66.02 65.44 1qii s SER 161 CO 0.00 -0.52 0.98 0.00 0.98 0.00 0.00 173.24 174.68 1qii n GLN 162 N -1.54 1.19 0.05 4.02 1.13 -1.26 -3.96 117.38 117.01 1qii n GLN 162 Ca 0.02 -1.44 0.12 0.00 -1.94 0.00 0.00 57.00 53.76 1qii n GLN 162 Cb 0.60 -1.26 0.27 0.00 0.11 0.00 0.00 30.24 29.96 1qii n GLN 162 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1qii n GLU 163 N 0.71 0.20 -2.71 -1.09 -0.58 -1.26 -4.49 120.64 111.42 1qii n GLU 163 Ca 0.09 0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.84 1qii n GLU 163 Cb 0.35 -1.65 0.07 0.00 -0.57 0.00 0.00 31.44 29.63 1qii n GLU 163 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qii n ALA 164 N -1.73 -2.18 0.22 0.62 0.00 -1.26 -3.60 120.51 112.58 1qii n ALA 164 Ca 0.04 -0.97 0.05 0.00 0.00 0.00 0.00 53.44 52.57 1qii n ALA 164 Cb 0.41 -2.08 0.50 0.00 0.00 0.00 0.00 19.45 18.28 1qii n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qii h PRO 165 N 3.42 0.02 0.00 0.00 0.13 -1.77 -1.31 132.00 132.49 1qii h PRO 165 Ca -0.19 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1qii h PRO 165 Cb 1.11 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qii h PRO 165 CO 0.10 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.47 1qii n GLY 166 N -1.05 1.67 1.99 1.56 0.00 -1.25 -4.39 105.19 103.73 1qii n GLY 166 Ca -0.02 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.83 1qii n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qii n ASN 167 N 0.00 -2.63 0.24 1.61 3.02 -1.26 -4.75 115.26 111.49 1qii n ASN 167 Ca 0.00 0.16 0.16 0.00 -0.03 0.00 0.00 54.58 54.87 1qii n ASN 167 Cb 0.00 -2.31 0.79 0.00 -0.61 0.00 0.00 39.78 37.65 1qii n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1qii h VAL 168 N 0.00 0.00 -0.00 2.41 -1.51 -1.89 0.06 116.25 115.32 1qii h VAL 168 Ca -0.13 -0.15 -0.15 0.00 -1.23 0.00 0.00 66.70 65.03 1qii h VAL 168 Cb 0.57 0.95 -0.02 0.00 -2.13 0.00 0.00 31.29 30.67 1qii h VAL 168 CO 0.19 0.00 -0.72 1.23 -1.23 0.00 0.00 177.57 177.05 1qii h GLY 169 N 0.87 0.04 1.83 5.19 0.00 -1.26 -1.69 103.07 108.05 1qii h GLY 169 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 1qii h GLY 169 CO 0.00 0.05 -1.04 1.41 0.00 0.00 0.00 176.54 176.95 1qii h LEU 170 N 0.02 0.19 -1.23 3.11 3.38 -1.27 -3.02 115.31 116.50 1qii h LEU 170 Ca -0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1qii h LEU 170 Cb 1.26 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1qii h LEU 170 CO 0.10 1.11 -0.24 -0.07 0.09 0.00 0.00 178.44 179.42 1qii h LEU 171 N 0.05 0.22 0.01 1.67 3.38 -1.22 -1.36 115.31 118.05 1qii h LEU 171 Ca -0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1qii h LEU 171 Cb 1.76 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.45 1qii h LEU 171 CO 0.15 0.47 -0.02 0.44 0.09 0.00 0.00 178.44 179.58 1qii h ASP 172 N 0.20 -0.04 -0.77 -0.43 3.32 -1.18 -0.10 116.42 117.42 1qii h ASP 172 Ca 0.03 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1qii h ASP 172 Cb 0.55 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1qii h ASP 172 CO 0.04 -0.02 0.41 1.56 -1.72 0.00 0.00 179.24 179.50 1qii h GLN 173 N -0.03 1.08 -0.29 3.56 4.20 -1.38 -1.48 115.11 120.77 1qii h GLN 173 Ca 0.00 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1qii h GLN 173 Cb 0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 1qii h GLN 173 CO -0.01 0.81 0.03 -0.09 -0.67 0.00 0.00 178.83 178.89 1qii h ARG 174 N 1.07 0.43 -0.02 1.46 2.43 -0.99 0.31 114.38 119.07 1qii h ARG 174 Ca 0.27 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1qii h ARG 174 Cb 0.05 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1qii h ARG 174 CO -0.04 0.44 0.00 1.98 -1.51 0.00 0.00 179.97 180.85 1qii h MET 175 N 0.42 0.03 -0.97 0.20 4.05 -0.05 0.48 114.93 119.10 1qii h MET 175 Ca 0.10 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 1qii h MET 175 Cb 0.24 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.98 1qii h MET 175 CO 0.00 0.28 0.64 0.00 0.23 0.00 0.00 176.91 178.06 1qii h ALA 176 N 0.76 1.35 -0.41 0.39 0.00 -0.74 -1.24 119.26 119.37 1qii h ALA 176 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1qii h ALA 176 Cb 0.26 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1qii h ALA 176 CO 0.00 0.56 -0.06 -0.07 0.00 0.00 0.00 179.25 179.68 1qii h LEU 177 N 1.25 0.68 -1.02 0.00 3.38 -0.60 -1.61 115.31 117.39 1qii h LEU 177 Ca 0.38 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1qii h LEU 177 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1qii h LEU 177 CO -0.11 0.79 0.06 -0.61 0.09 0.00 0.00 178.44 178.66 1qii h GLN 178 N 0.65 0.76 -0.13 1.13 5.75 0.19 -0.51 115.11 122.96 1qii h GLN 178 Ca 0.12 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 1qii h GLN 178 Cb 0.50 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.94 1qii h GLN 178 CO 0.03 0.73 -0.10 2.35 -2.65 0.00 0.00 178.83 179.19 1qii h TRP 179 N 0.73 0.35 -0.99 3.99 7.01 -0.79 -1.17 115.95 125.07 1qii h TRP 179 Ca 0.15 -0.10 0.09 0.00 2.11 0.00 0.00 58.89 61.14 1qii h TRP 179 Cb 0.36 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.27 1qii h TRP 179 CO 0.02 0.68 0.63 0.28 -2.79 0.00 0.00 178.44 177.26 1qii h VAL 180 N -0.08 1.02 -0.50 2.65 2.07 -1.05 0.35 116.25 120.71 1qii h VAL 180 Ca 0.02 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1qii h VAL 180 Cb 0.61 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1qii h VAL 180 CO 0.03 0.20 0.02 -0.74 0.02 0.00 0.00 177.57 177.10 1qii h HIS 181 N 1.09 0.88 0.00 1.57 -0.00 -0.87 -1.08 115.15 116.74 1qii h HIS 181 Ca 0.45 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1qii h HIS 181 Cb 0.29 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1qii h HIS 181 CO -0.01 0.79 -0.57 -0.25 -0.00 0.00 0.00 177.93 177.89 1qii n ASP 182 N -4.22 0.55 0.00 3.26 8.00 -0.30 -4.63 116.55 119.21 1qii n ASP 182 Ca 0.03 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1qii n ASP 182 Cb 0.29 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1qii n ASP 182 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qii n ASN 183 N -1.66 0.83 0.32 -2.24 3.02 0.11 -4.82 115.26 110.82 1qii n ASN 183 Ca 0.05 -0.03 0.18 0.00 -0.03 0.00 0.00 54.58 54.74 1qii n ASN 183 Cb 0.36 0.22 0.94 0.00 -0.61 0.00 0.00 39.78 40.70 1qii n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qii h ILE 184 N 0.00 0.00 0.00 2.41 6.09 -1.33 0.44 117.51 125.12 1qii h ILE 184 Ca 0.00 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 1qii h ILE 184 Cb 0.00 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 38.05 1qii h ILE 184 CO 0.00 0.00 -0.26 0.06 -3.07 0.00 0.00 178.15 174.88 1qii h GLN 185 N 0.00 0.00 0.00 2.19 3.07 -1.80 -1.02 115.11 117.55 1qii h GLN 185 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1qii h GLN 185 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1qii h GLN 185 CO 0.00 0.26 0.00 1.19 0.09 0.00 0.00 178.83 180.37 1qii n PHE 186 N -4.11 0.00 0.26 0.06 3.72 0.15 -2.55 117.46 114.98 1qii n PHE 186 Ca -0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 1qii n PHE 186 Cb 0.32 -0.30 0.12 0.00 -0.94 0.00 0.00 39.48 38.68 1qii n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qii n PHE 187 N -1.30 0.26 -0.01 1.38 3.01 -0.61 -4.82 117.46 115.37 1qii n PHE 187 Ca 0.12 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1qii n PHE 187 Cb 0.22 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1qii n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qii n GLY 188 N 0.83 0.23 3.86 1.37 0.00 -1.06 -4.61 105.19 105.81 1qii n GLY 188 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1qii n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qii s GLY 189 N -1.78 1.90 -0.41 -0.02 0.00 -0.49 -0.30 107.32 106.21 1qii s GLY 189 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 1qii s GLY 189 CO 0.00 0.29 0.29 -0.35 0.00 0.00 0.00 173.10 173.33 1qii s ASP 190 N -3.47 5.94 0.66 1.64 2.15 0.94 -3.56 116.67 120.97 1qii s ASP 190 Ca 0.56 -1.11 0.38 0.00 0.43 0.00 0.00 52.55 52.81 1qii s ASP 190 Cb -0.10 -2.10 2.06 0.00 -0.30 0.00 0.00 42.92 42.48 1qii s ASP 190 CO 0.39 -0.49 2.18 1.55 -0.17 0.00 0.00 175.17 178.63 1qii h PRO 191 N 8.57 0.00 -0.56 4.34 0.13 -1.88 -1.07 132.00 141.53 1qii h PRO 191 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1qii h PRO 191 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1qii h PRO 191 CO 0.75 0.00 0.00 0.36 -0.23 0.00 0.00 178.00 178.88 1qii n LYS 192 N -3.09 2.56 -2.99 0.86 2.85 -1.26 -4.26 118.16 112.83 1qii n LYS 192 Ca -0.02 -1.86 -0.14 0.00 -1.05 0.00 0.00 58.31 55.24 1qii n LYS 192 Cb 0.21 -1.57 0.01 0.00 -0.65 0.00 0.00 35.03 33.03 1qii n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1qii n THR 193 N 0.78 0.08 -4.18 0.58 -1.04 -0.41 -4.81 114.28 105.29 1qii n THR 193 Ca 0.17 -3.60 -0.34 0.00 -2.04 0.00 0.00 64.05 58.24 1qii n THR 193 Cb 0.55 0.29 -0.11 0.00 -1.82 0.00 0.00 70.33 69.23 1qii n THR 193 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qii s VAL 194 N -1.94 4.23 -0.19 12.58 0.11 -1.26 -1.97 120.40 131.96 1qii s VAL 194 Ca 0.33 -0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 59.10 1qii s VAL 194 Cb 0.36 -2.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 1qii s VAL 194 CO -0.05 0.46 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.29 1qii s THR 195 N 0.55 4.01 -0.02 5.04 2.01 -0.32 -0.54 115.64 126.37 1qii s THR 195 Ca -0.00 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1qii s THR 195 Cb -0.14 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1qii s THR 195 CO 0.02 0.44 0.21 0.27 -0.69 0.00 0.00 174.62 174.87 1qii s ILE 196 N 0.85 5.39 -0.09 1.82 -4.36 -0.88 -0.40 121.20 123.53 1qii s ILE 196 Ca 0.01 0.04 -0.15 0.00 -0.26 0.00 0.00 60.65 60.28 1qii s ILE 196 Cb -0.14 -3.53 0.04 0.00 1.25 0.00 0.00 42.46 40.07 1qii s ILE 196 CO 0.02 0.39 0.38 0.72 0.24 0.00 0.00 174.94 176.69 1qii s PHE 197 N -1.27 -0.36 0.36 1.37 -0.71 -0.27 -1.29 117.98 115.82 1qii s PHE 197 Ca 0.25 0.79 -0.08 0.00 -1.04 0.00 0.00 56.93 56.85 1qii s PHE 197 Cb -0.13 0.15 0.03 0.00 -1.21 0.00 0.00 43.02 41.85 1qii s PHE 197 CO 0.15 -0.30 0.61 0.20 -1.34 0.00 0.00 175.22 174.55 1qii s GLY 198 N -0.43 1.00 0.03 1.99 0.00 -1.05 -1.46 107.32 107.40 1qii s GLY 198 Ca -0.06 -1.18 0.04 0.00 0.00 0.00 0.00 44.72 43.52 1qii s GLY 198 CO 0.02 -0.70 -0.12 1.85 0.00 0.00 0.00 173.10 174.16 1qii s GLU 199 N -2.74 0.79 5.62 2.90 -6.30 -1.23 -1.24 118.70 116.50 1qii s GLU 199 Ca 0.24 -0.68 0.00 0.00 -2.50 0.00 0.00 54.97 52.03 1qii s GLU 199 Cb -0.02 -0.75 0.00 0.00 0.00 0.00 0.00 34.13 33.36 1qii s GLU 199 CO 0.16 0.18 0.00 0.45 0.02 0.00 0.00 175.26 176.08 1qii n SER 200 N 1.96 0.00 0.30 -1.70 2.88 -0.69 0.36 113.62 116.72 1qii n SER 200 Ca -0.18 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.51 1qii n SER 200 Cb 0.55 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.93 1qii n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qii h ALA 201 N -0.71 1.50 -0.01 -1.46 0.00 -1.87 -0.04 119.26 116.67 1qii h ALA 201 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1qii h ALA 201 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qii h ALA 201 CO 0.00 0.01 -0.84 0.78 0.00 0.00 0.00 179.25 179.20 1qii h GLY 202 N 0.03 0.24 1.66 0.00 0.00 -0.15 0.20 103.07 105.06 1qii h GLY 202 Ca -0.00 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 46.77 1qii h GLY 202 CO 0.00 0.36 -0.62 -1.33 0.00 0.00 0.00 176.54 174.95 1qii h GLY 203 N 1.75 0.38 1.62 4.60 0.00 -0.94 -1.39 103.07 109.09 1qii h GLY 203 Ca -0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 1qii h GLY 203 CO 0.13 0.43 -0.60 0.00 0.00 0.00 0.00 176.54 176.50 1qii h ALA 204 N 1.09 0.76 -0.29 3.60 0.00 -1.07 -2.61 119.26 120.73 1qii h ALA 204 Ca -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1qii h ALA 204 Cb 1.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1qii h ALA 204 CO 0.10 0.71 0.00 0.77 0.00 0.00 0.00 179.25 180.84 1qii h SER 205 N 0.29 0.49 -0.91 0.00 0.02 -0.69 -2.06 113.55 110.69 1qii h SER 205 Ca -0.00 -0.30 0.06 0.00 -0.84 0.00 0.00 61.79 60.70 1qii h SER 205 Cb 1.12 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.47 1qii h SER 205 CO 0.10 0.68 0.58 0.58 -1.14 0.00 0.00 176.83 177.63 1qii h VAL 206 N 0.30 1.08 0.00 2.27 2.07 -1.20 0.27 116.25 121.04 1qii h VAL 206 Ca 0.08 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1qii h VAL 206 Cb 0.42 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1qii h VAL 206 CO 0.01 0.20 -0.16 1.23 0.02 0.00 0.00 177.57 178.87 1qii h GLY 207 N 1.07 0.00 1.75 2.17 0.00 -1.31 -2.76 103.07 103.99 1qii h GLY 207 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 1qii h GLY 207 CO -0.16 0.00 -0.44 -0.33 0.00 0.00 0.00 176.54 175.61 1qii h MET 208 N 0.00 0.00 0.00 4.80 2.86 -0.24 -2.88 114.93 119.47 1qii h MET 208 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1qii h MET 208 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1qii h MET 208 CO 0.02 0.18 -0.57 0.45 1.06 0.00 0.00 176.91 178.06 1qii h HIS 209 N 0.00 0.00 -0.03 -0.22 3.86 -1.10 -0.13 115.15 117.54 1qii h HIS 209 Ca -0.02 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 1qii h HIS 209 Cb 1.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 1qii h HIS 209 CO 0.00 0.28 -0.66 0.82 0.86 0.00 0.00 177.93 179.23 1qii h ILE 210 N 0.00 1.44 0.13 2.45 2.04 -1.45 -3.19 117.51 118.92 1qii h ILE 210 Ca -0.03 -2.17 -0.33 0.00 1.00 0.00 0.00 64.86 63.33 1qii h ILE 210 Cb 1.24 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 1qii h ILE 210 CO 0.03 0.63 -1.77 -0.07 0.00 0.00 0.00 178.15 176.97 1qii h LEU 211 N 0.09 0.42 -9.15 1.44 3.38 -1.40 0.16 115.31 110.24 1qii h LEU 211 Ca -0.01 -0.89 -0.56 0.00 0.09 0.00 0.00 57.88 56.51 1qii h LEU 211 Cb 1.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1qii h LEU 211 CO 0.09 1.77 1.06 -0.55 0.09 0.00 0.00 178.44 180.90 1qii s SER 212 N -7.09 6.62 0.31 -0.43 0.15 -0.07 -4.72 113.70 108.48 1qii s SER 212 Ca -0.21 1.89 0.07 0.00 0.70 0.00 0.00 55.95 58.40 1qii s SER 212 Cb 0.06 -2.53 0.80 0.00 -1.71 0.00 0.00 66.02 62.63 1qii s SER 212 CO 0.77 -1.01 1.75 -0.65 1.20 0.00 0.00 173.24 175.30 1qii h PRO 213 N 9.67 0.62 0.00 5.44 0.11 -1.87 -1.53 132.00 144.43 1qii h PRO 213 Ca -0.34 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1qii h PRO 213 Cb 1.15 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1qii h PRO 213 CO 0.98 0.41 0.00 0.78 -0.21 0.00 0.00 178.00 179.96 1qii h GLY 214 N 0.64 0.00 0.00 -0.55 0.00 -1.91 -3.21 103.07 98.03 1qii h GLY 214 Ca 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 1qii h GLY 214 CO -0.44 0.00 -1.87 1.44 0.00 0.00 0.00 176.54 175.67 1qii n SER 215 N -2.98 1.00 -0.32 0.19 7.64 -0.59 -4.68 113.62 113.88 1qii n SER 215 Ca -0.01 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.06 1qii n SER 215 Cb 0.18 1.59 0.38 0.00 -1.01 0.00 0.00 64.21 65.36 1qii n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1qii h ARG 216 N 0.00 0.25 0.00 1.43 3.08 -1.50 -0.81 114.38 116.82 1qii h ARG 216 Ca -0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1qii h ARG 216 Cb 1.08 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1qii h ARG 216 CO 0.01 0.16 0.00 -0.25 -1.07 0.00 0.00 179.97 178.82 1qii n ASP 217 N -5.15 0.00 -0.68 7.04 8.00 -1.26 -3.91 116.55 120.58 1qii n ASP 217 Ca 0.27 -0.72 0.11 0.00 0.71 0.00 0.00 54.79 55.16 1qii n ASP 217 Cb 0.84 -0.08 0.34 0.00 -0.02 0.00 0.00 41.12 42.20 1qii n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qii n LEU 218 N -1.08 2.04 -3.73 0.64 4.77 -0.31 -4.94 117.00 114.39 1qii n LEU 218 Ca 0.20 -0.85 -0.10 0.00 -0.03 0.00 0.00 56.01 55.23 1qii n LEU 218 Cb 0.14 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1qii n LEU 218 CO 0.18 0.43 0.27 0.72 -1.33 0.00 0.00 177.39 177.66 1qii s PHE 219 N -1.74 -0.12 -0.24 -1.77 -0.71 -1.25 -4.86 117.98 107.29 1qii s PHE 219 Ca 0.33 -0.22 -0.16 0.00 -1.04 0.00 0.00 56.93 55.85 1qii s PHE 219 Cb 0.19 0.38 -0.10 0.00 -1.21 0.00 0.00 43.02 42.27 1qii s PHE 219 CO 0.27 -0.90 -0.30 -2.13 -1.34 0.00 0.00 175.22 170.82 1qii n ARG 220 N -0.34 0.56 -4.46 1.99 3.00 0.30 -4.95 116.66 112.77 1qii n ARG 220 Ca -0.10 0.28 -0.22 0.00 -0.00 0.00 0.00 57.85 57.81 1qii n ARG 220 Cb 0.63 -1.50 -0.10 0.00 0.00 0.00 0.00 32.46 31.48 1qii n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1qii s ARG 221 N -2.60 1.70 -0.03 -0.14 0.52 -1.16 -4.61 118.95 112.63 1qii s ARG 221 Ca -0.34 -1.97 -0.08 0.00 -0.52 0.00 0.00 55.73 52.82 1qii s ARG 221 Cb 0.11 -0.78 0.01 0.00 0.52 0.00 0.00 34.95 34.81 1qii s ARG 221 CO 0.47 -0.26 0.18 0.00 0.02 0.00 0.00 175.30 175.71 1qii s ALA 222 N -3.31 -0.44 -0.10 2.13 0.00 -1.20 -2.07 121.76 116.77 1qii s ALA 222 Ca 0.33 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1qii s ALA 222 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.11 1qii s ALA 222 CO 0.15 -0.16 -0.15 0.42 0.00 0.00 0.00 175.76 176.02 1qii s ILE 223 N -0.68 1.45 -0.16 0.00 1.01 -0.41 -2.11 121.20 120.29 1qii s ILE 223 Ca -0.08 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1qii s ILE 223 Cb -0.04 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1qii s ILE 223 CO 0.01 0.43 -0.20 -0.76 0.00 0.00 0.00 174.94 174.42 1qii s LEU 224 N 0.84 2.20 -0.21 2.97 1.02 -0.50 -2.53 118.68 122.47 1qii s LEU 224 Ca -0.10 -0.60 -0.03 0.00 0.02 0.00 0.00 54.13 53.42 1qii s LEU 224 Cb -0.15 -1.49 -0.00 0.00 0.02 0.00 0.00 46.19 44.56 1qii s LEU 224 CO 0.01 0.04 -0.07 -1.10 0.02 0.00 0.00 176.35 175.25 1qii s GLN 225 N 1.04 3.32 -1.55 1.70 -0.21 -0.37 -2.72 119.66 120.87 1qii s GLN 225 Ca -0.01 -0.66 -0.11 0.00 0.02 0.00 0.00 55.36 54.60 1qii s GLN 225 Cb -0.14 -2.94 0.09 0.00 1.00 0.00 0.00 33.01 31.02 1qii s GLN 225 CO -0.06 -0.19 0.77 0.43 -2.12 0.00 0.00 175.29 174.11 1qii n SER 226 N 4.75 -2.98 -3.65 5.90 7.64 -0.33 -1.71 113.62 123.23 1qii n SER 226 Ca -0.19 -0.91 -0.02 0.00 1.01 0.00 0.00 58.87 58.76 1qii n SER 226 Cb 0.51 -3.32 -0.06 0.00 -1.01 0.00 0.00 64.21 60.32 1qii n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1qii s GLY 227 N -3.63 0.36 0.06 0.23 0.00 -1.26 -3.53 107.32 99.55 1qii s GLY 227 Ca 0.49 3.50 -0.06 0.00 0.00 0.00 0.00 44.72 48.66 1qii s GLY 227 CO 0.88 1.81 0.10 -1.35 0.00 0.00 0.00 173.10 174.53 1qii s SER 228 N -0.17 0.24 0.40 1.64 1.04 -1.26 -3.96 113.70 111.62 1qii s SER 228 Ca 0.08 -0.69 0.13 0.00 0.48 0.00 0.00 55.95 55.95 1qii s SER 228 Cb -0.04 0.26 0.96 0.00 0.10 0.00 0.00 66.02 67.30 1qii s SER 228 CO -0.15 -0.61 1.91 1.55 0.98 0.00 0.00 173.24 176.92 1qii h PRO 229 N 3.21 0.50 -0.89 4.02 0.13 -1.81 -2.72 132.00 134.45 1qii h PRO 229 Ca -0.33 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.69 1qii h PRO 229 Cb 1.18 -0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 1qii h PRO 229 CO 0.56 0.33 0.09 0.27 -0.23 0.00 0.00 178.00 179.03 1qii n ASN 230 N -4.50 3.05 -4.76 1.44 6.94 -1.26 -4.73 115.26 111.44 1qii n ASN 230 Ca 0.15 -2.47 -0.40 0.00 -0.02 0.00 0.00 54.58 51.83 1qii n ASN 230 Cb 0.49 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.27 1qii n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qii n PRO 232 N 1.30 0.09 -0.00 0.00 -0.04 -1.26 -1.75 135.00 133.33 1qii n PRO 232 Ca -0.00 0.55 0.07 0.00 -0.04 0.00 0.00 63.50 64.08 1qii n PRO 232 Cb 0.44 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 1qii n PRO 232 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qii n TRP 233 N -1.96 0.00 0.95 0.54 4.27 -1.26 -4.63 117.44 115.35 1qii n TRP 233 Ca -0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.74 1qii n TRP 233 Cb 0.17 -0.15 0.59 0.00 -1.36 0.00 0.00 31.31 30.56 1qii n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qii n ALA 234 N -1.63 2.32 -3.34 -1.67 0.00 -0.71 -4.65 120.51 110.82 1qii n ALA 234 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1qii n ALA 234 Cb 0.29 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.25 1qii n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qii s SER 235 N -3.18 -0.45 0.18 0.00 1.04 -1.26 -3.47 113.70 106.57 1qii s SER 235 Ca 0.14 -0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 1qii s SER 235 Cb 0.18 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1qii s SER 235 CO 0.53 -0.98 0.10 0.68 0.98 0.00 0.00 173.24 174.56 1qii s VAL 236 N -3.78 0.09 0.69 5.02 -7.23 -0.40 -4.99 120.40 109.80 1qii s VAL 236 Ca 0.03 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 1qii s VAL 236 Cb -0.01 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.61 1qii s VAL 236 CO -0.11 -0.19 1.07 -0.94 -0.31 0.00 0.00 175.10 174.63 1qii s SER 237 N -3.13 5.57 0.48 4.85 1.04 -1.26 -1.83 113.70 119.42 1qii s SER 237 Ca 0.33 1.28 0.21 0.00 0.48 0.00 0.00 55.95 58.24 1qii s SER 237 Cb 0.07 -2.15 1.19 0.00 0.10 0.00 0.00 66.02 65.23 1qii s SER 237 CO 0.08 -1.28 2.01 -0.37 0.98 0.00 0.00 173.24 174.66 1qii h VAL 238 N -0.61 0.86 -0.12 5.02 -1.51 -1.94 -0.42 116.25 117.54 1qii h VAL 238 Ca -0.45 -0.66 -0.04 0.00 -1.23 0.00 0.00 66.70 64.32 1qii h VAL 238 Cb 1.23 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1qii h VAL 238 CO 0.62 0.17 -0.07 0.00 -1.23 0.00 0.00 177.57 177.07 1qii h ALA 239 N 1.82 0.16 -0.03 5.19 0.00 -1.95 -0.09 119.26 124.37 1qii h ALA 239 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1qii h ALA 239 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qii h ALA 239 CO 0.02 -0.04 -0.52 1.49 0.00 0.00 0.00 179.25 180.20 1qii h GLU 240 N -0.11 0.07 -0.38 0.00 4.57 -1.85 0.73 114.58 117.61 1qii h GLU 240 Ca 0.02 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1qii h GLU 240 Cb 0.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1qii h GLU 240 CO 0.02 0.57 0.00 0.78 -1.18 0.00 0.00 179.01 179.21 1qii h GLY 241 N 1.50 0.71 0.97 1.92 0.00 -0.99 -0.79 103.07 106.40 1qii h GLY 241 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1qii h GLY 241 CO 0.07 0.48 0.01 -0.09 0.00 0.00 0.00 176.54 177.01 1qii h ARG 242 N 0.48 0.78 -0.84 4.80 2.43 -0.73 -1.79 114.38 119.50 1qii h ARG 242 Ca 0.11 -0.24 0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1qii h ARG 242 Cb 0.46 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 1qii h ARG 242 CO 0.02 0.84 0.56 -0.09 -1.51 0.00 0.00 179.97 179.79 1qii h ARG 243 N 0.63 1.09 0.01 0.20 2.43 -0.65 -1.98 114.38 116.11 1qii h ARG 243 Ca 0.13 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.04 1qii h ARG 243 Cb 0.48 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1qii h ARG 243 CO 0.02 0.72 -0.90 0.00 -1.51 0.00 0.00 179.97 178.30 1qii h ARG 244 N 1.13 0.06 -0.49 0.20 3.08 -1.00 -2.67 114.38 114.69 1qii h ARG 244 Ca 0.31 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1qii h ARG 244 Cb -0.10 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1qii h ARG 244 CO -0.07 0.92 0.06 0.00 -1.07 0.00 0.00 179.97 179.80 1qii h ALA 245 N 1.06 0.65 -0.06 0.04 0.00 -0.88 -0.97 119.26 119.10 1qii h ALA 245 Ca -0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qii h ALA 245 Cb 1.57 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1qii h ALA 245 CO 0.12 0.40 0.02 0.28 0.00 0.00 0.00 179.25 180.08 1qii h VAL 246 N 0.69 1.17 -0.51 0.00 2.07 -1.40 -2.13 116.25 116.15 1qii h VAL 246 Ca 0.15 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1qii h VAL 246 Cb 0.43 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1qii h VAL 246 CO 0.01 0.14 0.28 -0.08 0.02 0.00 0.00 177.57 177.95 1qii h GLU 247 N -0.10 0.69 -0.46 1.57 4.57 -1.42 0.21 114.58 119.64 1qii h GLU 247 Ca 0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1qii h GLU 247 Cb 0.21 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1qii h GLU 247 CO -0.00 0.51 0.29 1.25 -1.18 0.00 0.00 179.01 179.88 1qii h LEU 248 N 0.70 0.53 -1.34 1.64 5.85 -0.94 -1.33 115.31 120.42 1qii h LEU 248 Ca 0.18 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1qii h LEU 248 Cb 0.01 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1qii h LEU 248 CO -0.03 0.41 -0.32 1.23 -0.34 0.00 0.00 178.44 179.39 1qii h GLY 249 N 0.61 0.02 1.67 3.75 0.00 -0.37 -2.46 103.07 106.30 1qii h GLY 249 Ca 0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1qii h GLY 249 CO -0.03 0.01 -0.44 -0.09 0.00 0.00 0.00 176.54 175.99 1qii h ARG 250 N 0.02 0.36 0.00 4.80 2.43 0.08 0.61 114.38 122.68 1qii h ARG 250 Ca -0.00 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1qii h ARG 250 Cb 0.57 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1qii h ARG 250 CO 0.04 0.74 -0.23 -0.91 -1.51 0.00 0.00 179.97 178.10 1qii h ASN 251 N 0.30 0.00 -0.37 -3.80 2.35 -0.79 -2.80 115.58 110.47 1qii h ASN 251 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1qii h ASN 251 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1qii h ASN 251 CO 0.07 0.23 0.00 0.18 -1.65 0.00 0.00 177.43 176.27 1qii n LEU 252 N -3.49 4.48 -3.64 1.61 4.77 -1.11 -4.98 117.00 114.64 1qii n LEU 252 Ca -0.00 -2.97 -0.27 0.00 -0.03 0.00 0.00 56.01 52.74 1qii n LEU 252 Cb 0.40 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1qii n LEU 252 CO 0.33 0.66 -0.05 0.59 -1.33 0.00 0.00 177.39 177.60 1qii n ASN 253 N -0.11 -5.54 -4.73 -1.43 3.02 -1.03 -4.98 115.26 100.45 1qii n ASN 253 Ca 0.23 -0.89 -0.29 0.00 -0.03 0.00 0.00 54.58 53.60 1qii n ASN 253 Cb 0.99 -3.23 -0.07 0.00 -0.61 0.00 0.00 39.78 36.86 1qii n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qii s ASN 255 N -2.54 6.54 -0.26 0.00 3.84 -1.26 -4.75 114.94 116.50 1qii s ASN 255 Ca 0.28 2.15 0.13 0.00 0.21 0.00 0.00 52.86 55.63 1qii s ASN 255 Cb -0.11 -2.53 0.75 0.00 -0.55 0.00 0.00 41.25 38.81 1qii s ASN 255 CO 0.20 -1.04 1.73 0.18 -2.79 0.00 0.00 177.10 175.38 1qii n LEU 256 N 7.60 5.62 0.18 3.21 4.77 -1.26 -2.92 117.00 134.21 1qii n LEU 256 Ca 0.18 -3.08 0.03 0.00 -0.03 0.00 0.00 56.01 53.12 1qii n LEU 256 Cb 0.43 -0.69 0.36 0.00 -2.33 0.00 0.00 43.42 41.19 1qii n LEU 256 CO 0.64 0.72 0.70 0.78 -1.33 0.00 0.00 177.39 178.90 1qii h ASN 257 N 3.17 0.00 -5.05 -1.43 2.35 -1.95 -3.47 115.58 109.20 1qii h ASN 257 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1qii h ASN 257 Cb 2.05 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 40.30 1qii h ASN 257 CO 0.55 0.39 0.07 -0.94 -1.65 0.00 0.00 177.43 175.85 1qii s SER 258 N -6.79 -0.36 0.25 5.81 1.04 -1.26 -5.00 113.70 107.38 1qii s SER 258 Ca -0.02 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 1qii s SER 258 Cb 0.14 0.56 0.46 0.00 0.10 0.00 0.00 66.02 67.27 1qii s SER 258 CO 0.71 -0.97 1.79 0.44 0.98 0.00 0.00 173.24 176.19 1qii h ASP 259 N 2.17 0.61 -0.60 7.02 5.19 -1.95 0.43 116.42 129.29 1qii h ASP 259 Ca -0.32 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1qii h ASP 259 Cb 1.28 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 1qii h ASP 259 CO 0.40 0.31 0.33 -0.33 -3.12 0.00 0.00 179.24 176.83 1qii h GLU 260 N 0.71 0.84 0.25 3.56 3.07 -1.97 0.15 114.58 121.19 1qii h GLU 260 Ca 0.42 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.19 1qii h GLU 260 Cb 0.49 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1qii h GLU 260 CO -0.30 0.65 -0.30 1.49 -1.40 0.00 0.00 179.01 179.15 1qii h GLU 261 N 0.82 -0.57 0.70 2.33 4.57 -1.41 -1.71 114.58 119.30 1qii h GLU 261 Ca 0.21 0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1qii h GLU 261 Cb 0.05 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1qii h GLU 261 CO -0.03 -0.38 -0.33 1.25 -1.18 0.00 0.00 179.01 178.33 1qii h LEU 262 N -0.59 -0.79 -0.45 1.64 5.85 -0.67 -2.69 115.31 117.61 1qii h LEU 262 Ca -0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1qii h LEU 262 Cb 0.56 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1qii h LEU 262 CO -0.09 -0.55 0.08 0.40 -0.34 0.00 0.00 178.44 177.94 1qii h ILE 263 N -0.96 0.74 -0.92 4.05 2.04 -0.74 -0.66 117.51 121.07 1qii h ILE 263 Ca -0.10 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1qii h ILE 263 Cb 0.72 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1qii h ILE 263 CO 0.16 0.04 0.60 -0.74 0.00 0.00 0.00 178.15 178.20 1qii h HIS 264 N 0.21 1.12 -0.44 1.37 2.76 -1.33 -0.32 115.15 118.52 1qii h HIS 264 Ca 0.22 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.32 1qii h HIS 264 Cb 0.29 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1qii h HIS 264 CO -0.22 0.65 -0.15 0.00 -1.30 0.00 0.00 177.93 176.91 1qii h LEU 266 N 0.73 0.00 -0.14 0.00 3.38 -0.45 -2.88 115.31 115.95 1qii h LEU 266 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1qii h LEU 266 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1qii h LEU 266 CO 0.05 0.26 -0.38 0.03 0.09 0.00 0.00 178.44 178.48 1qii h ARG 267 N 0.00 0.00 -0.00 1.13 3.08 -0.64 -3.10 114.38 114.85 1qii h ARG 267 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qii h ARG 267 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1qii h ARG 267 CO 0.03 0.38 -0.05 0.39 -1.07 0.00 0.00 179.97 179.65 1qii n GLU 268 N -3.23 0.56 -3.07 0.04 -0.58 -1.05 -4.87 120.64 108.44 1qii n GLU 268 Ca 0.02 -0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.32 1qii n GLU 268 Cb 0.66 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.97 1qii n GLU 268 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qii s LYS 269 N -2.51 4.11 0.36 3.49 -0.14 -1.17 -5.05 119.74 118.84 1qii s LYS 269 Ca 0.29 0.80 -0.26 0.00 -1.36 0.00 0.00 55.97 55.45 1qii s LYS 269 Cb 0.20 -2.52 -0.09 0.00 -1.68 0.00 0.00 37.83 33.74 1qii s LYS 269 CO 0.47 0.19 1.06 0.15 -0.76 0.00 0.00 175.35 176.46 1qii s LYS 270 N -2.73 4.32 0.25 1.68 1.02 -1.26 -4.95 119.74 118.08 1qii s LYS 270 Ca 0.52 1.58 -0.08 0.00 0.02 0.00 0.00 55.97 58.02 1qii s LYS 270 Cb -0.12 -2.74 0.42 0.00 -0.52 0.00 0.00 37.83 34.87 1qii s LYS 270 CO 0.18 -0.01 1.60 -1.35 -0.92 0.00 0.00 175.35 174.85 1qii h PRO 271 N 2.92 0.03 0.00 -1.68 0.11 -1.96 0.47 132.00 131.89 1qii h PRO 271 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qii h PRO 271 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1qii h PRO 271 CO 0.64 0.02 0.00 0.94 -0.21 0.00 0.00 178.00 179.39 1qii n GLN 272 N -5.46 0.10 0.07 1.05 -0.06 -1.26 -2.41 117.38 109.40 1qii n GLN 272 Ca 0.14 0.47 -0.15 0.00 -2.00 0.00 0.00 57.00 55.46 1qii n GLN 272 Cb 0.47 -1.75 -0.14 0.00 -4.06 0.00 0.00 30.24 24.77 1qii n GLN 272 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1qii h GLU 273 N 0.00 0.21 -0.03 3.69 5.08 -1.27 -1.97 114.58 120.29 1qii h GLU 273 Ca 0.00 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 1qii h GLU 273 Cb 0.15 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1qii h GLU 273 CO 0.00 1.09 -0.78 -0.07 -1.00 0.00 0.00 179.01 178.25 1qii h LEU 274 N 0.06 0.27 -0.55 1.33 4.07 -1.52 -3.17 115.31 115.80 1qii h LEU 274 Ca -0.19 -0.20 -0.15 0.00 0.08 0.00 0.00 57.88 57.42 1qii h LEU 274 Cb 1.97 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 43.61 1qii h LEU 274 CO 0.16 0.95 -0.72 0.40 -1.08 0.00 0.00 178.44 178.15 1qii h ILE 275 N 0.14 1.50 0.00 1.22 2.04 -1.56 -2.20 117.51 118.65 1qii h ILE 275 Ca -0.03 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.39 1qii h ILE 275 Cb 1.36 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1qii h ILE 275 CO 0.12 0.69 -0.14 0.44 0.00 0.00 0.00 178.15 179.27 1qii h ASP 276 N 0.03 0.00 -0.02 1.72 3.32 -1.32 -3.18 116.42 116.97 1qii h ASP 276 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1qii h ASP 276 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1qii h ASP 276 CO 0.10 0.14 0.00 1.33 -1.72 0.00 0.00 179.24 179.08 1qii n VAL 277 N -3.53 0.33 -0.31 -1.35 0.24 -1.21 -4.78 118.33 107.72 1qii n VAL 277 Ca -0.01 -0.66 0.11 0.00 -2.04 0.00 0.00 64.34 61.74 1qii n VAL 277 Cb 0.28 0.86 0.28 0.00 -1.47 0.00 0.00 33.84 33.80 1qii n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1qii h GLU 278 N 0.31 0.54 0.00 7.34 4.81 -1.37 -1.42 114.58 124.79 1qii h GLU 278 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1qii h GLU 278 Cb 0.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1qii h GLU 278 CO 0.00 0.36 0.00 0.91 -0.73 0.00 0.00 179.01 179.55 1qii n TRP 279 N -4.92 0.00 1.79 0.92 7.02 -1.26 -3.47 117.44 117.52 1qii n TRP 279 Ca 0.21 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.84 1qii n TRP 279 Cb 0.57 -0.32 0.86 0.00 -2.42 0.00 0.00 31.31 30.00 1qii n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1qii n ASN 280 N -1.32 0.00 -0.66 -0.99 3.02 -0.54 -3.78 115.26 110.99 1qii n ASN 280 Ca 0.11 -0.81 0.11 0.00 -0.03 0.00 0.00 54.58 53.95 1qii n ASN 280 Cb 0.21 -0.04 0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1qii n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1qii n VAL 281 N -1.04 0.00 -1.84 2.41 0.24 -1.23 -4.97 118.33 111.91 1qii n VAL 281 Ca 0.21 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 1qii n VAL 281 Cb 0.12 1.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.82 1qii n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1qii s LEU 282 N -2.19 4.35 0.38 1.34 1.43 -1.25 -4.86 118.68 117.89 1qii s LEU 282 Ca 0.21 2.88 0.12 0.00 -1.03 0.00 0.00 54.13 56.31 1qii s LEU 282 Cb 0.18 -3.63 0.75 0.00 0.03 0.00 0.00 46.19 43.52 1qii s LEU 282 CO 0.43 -0.86 1.86 1.55 0.23 0.00 0.00 176.35 179.56 1qii h PRO 283 N 4.86 0.08 -5.29 1.29 0.13 -1.96 -3.45 132.00 127.65 1qii h PRO 283 Ca -0.47 -0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.19 1qii h PRO 283 Cb 1.22 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1qii h PRO 283 CO 0.79 0.37 -0.65 -0.06 -0.23 0.00 0.00 178.00 178.21 1qii s PHE 284 N -4.38 1.83 -0.22 1.56 0.08 -1.26 -5.08 117.98 110.50 1qii s PHE 284 Ca -0.04 -0.84 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 1qii s PHE 284 Cb 0.15 -1.09 0.01 0.00 -0.57 0.00 0.00 43.02 41.51 1qii s PHE 284 CO 0.73 0.10 1.10 0.34 -0.10 0.00 0.00 175.22 177.39 1qii s ASP 285 N -3.41 7.04 0.34 1.36 -1.08 -1.26 -4.95 116.67 114.70 1qii s ASP 285 Ca 0.31 1.42 -0.09 0.00 -0.52 0.00 0.00 52.55 53.67 1qii s ASP 285 Cb 0.06 -2.54 0.02 0.00 -1.46 0.00 0.00 42.92 38.99 1qii s ASP 285 CO 0.12 -0.72 0.58 -0.94 0.52 0.00 0.00 175.17 174.73 1qii s SER 286 N 1.45 0.42 0.04 -0.34 1.04 -1.26 -4.67 113.70 110.38 1qii s SER 286 Ca 0.47 -1.25 0.04 0.00 0.48 0.00 0.00 55.95 55.69 1qii s SER 286 Cb -0.16 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1qii s SER 286 CO 0.09 -1.39 -0.13 -0.51 0.98 0.00 0.00 173.24 172.29 1qii s ILE 287 N -3.05 0.98 -1.33 -1.02 2.07 -0.57 -4.82 121.20 113.47 1qii s ILE 287 Ca 0.24 -1.01 -0.06 0.00 -1.41 0.00 0.00 60.65 58.41 1qii s ILE 287 Cb -0.02 -0.92 0.02 0.00 0.13 0.00 0.00 42.46 41.67 1qii s ILE 287 CO 0.15 -0.08 1.04 0.33 -1.91 0.00 0.00 174.94 174.47 1qii n PHE 288 N 1.81 -2.48 -3.95 3.50 -0.00 -1.26 -4.79 117.46 110.29 1qii n PHE 288 Ca -0.19 0.96 -0.11 0.00 -0.00 0.00 0.00 57.45 58.11 1qii n PHE 288 Cb 0.55 -4.84 -0.12 0.00 -0.00 0.00 0.00 39.48 35.07 1qii n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1qii s ARG 289 N -6.02 0.20 0.05 -4.13 1.81 -1.26 -4.72 118.95 104.89 1qii s ARG 289 Ca 0.34 -0.35 0.04 0.00 -1.72 0.00 0.00 55.73 54.05 1qii s ARG 289 Cb -0.16 0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.33 1qii s ARG 289 CO 0.75 -0.02 -0.13 -0.06 -0.68 0.00 0.00 175.30 175.17 1qii s PHE 290 N -0.78 1.09 0.06 -0.53 0.08 -1.26 -5.08 117.98 111.55 1qii s PHE 290 Ca -0.08 -0.41 -0.31 0.00 0.12 0.00 0.00 56.93 56.24 1qii s PHE 290 Cb -0.05 -0.63 -0.16 0.00 -0.57 0.00 0.00 43.02 41.60 1qii s PHE 290 CO -0.00 0.02 1.48 0.77 -0.10 0.00 0.00 175.22 177.39 1qii h SER 291 N 4.64 -1.08 -3.71 1.36 0.02 -1.92 -3.41 113.55 109.45 1qii h SER 291 Ca -0.38 0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 59.94 1qii h SER 291 Cb 1.19 0.32 -0.33 0.00 0.14 0.00 0.00 62.40 63.71 1qii h SER 291 CO 0.42 -0.64 -0.67 -0.36 -1.14 0.00 0.00 176.83 174.44 1qii s PHE 292 N -5.48 3.34 0.32 3.45 0.08 -1.26 -5.00 117.98 113.43 1qii s PHE 292 Ca -0.16 -1.98 0.03 0.00 0.12 0.00 0.00 56.93 54.94 1qii s PHE 292 Cb 0.03 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.09 1qii s PHE 292 CO 0.51 -0.83 0.11 0.14 -0.10 0.00 0.00 175.22 175.05 1qii s VAL 293 N 1.23 0.67 0.72 -0.44 -7.23 -1.26 -4.49 120.40 109.60 1qii s VAL 293 Ca -0.02 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.99 1qii s VAL 293 Cb -0.20 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1qii s VAL 293 CO -0.02 0.00 0.71 -2.65 -0.31 0.00 0.00 175.10 172.83 1qii n PRO 294 N -0.66 0.38 -4.29 4.82 -0.02 -1.23 -4.71 135.00 129.30 1qii n PRO 294 Ca -0.02 0.18 -0.20 0.00 -2.02 0.00 0.00 63.50 61.44 1qii n PRO 294 Cb 0.66 -1.98 -0.16 0.00 -0.02 0.00 0.00 33.50 32.00 1qii n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qii s VAL 295 N -1.87 0.65 -0.68 -1.45 0.11 -1.26 -1.28 120.40 114.63 1qii s VAL 295 Ca 0.69 -0.26 -0.26 0.00 -2.93 0.00 0.00 61.98 59.22 1qii s VAL 295 Cb -0.35 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1qii s VAL 295 CO 0.55 0.22 2.00 -0.63 -3.33 0.00 0.00 175.10 173.91 1qii s ILE 296 N 0.43 3.30 -1.30 7.04 -1.09 -0.76 -4.79 121.20 124.03 1qii s ILE 296 Ca -0.06 0.02 0.17 0.00 -2.23 0.00 0.00 60.65 58.55 1qii s ILE 296 Cb -0.10 -3.75 -0.08 0.00 -1.58 0.00 0.00 42.46 36.95 1qii s ILE 296 CO 0.00 -0.72 0.84 -0.90 -1.23 0.00 0.00 174.94 172.93 1qii n ASP 297 N 13.93 1.37 0.00 3.58 5.75 -1.26 -4.21 116.55 135.71 1qii n ASP 297 Ca 0.29 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1qii n ASP 297 Cb 0.51 0.68 0.00 0.00 -1.03 0.00 0.00 41.12 41.28 1qii n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qii n GLY 298 N 1.29 0.74 0.24 6.12 0.00 -0.38 -4.88 105.19 108.33 1qii n GLY 298 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1qii n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qii n GLU 299 N -2.43 0.00 -0.25 1.61 1.02 -1.26 -4.51 120.64 114.82 1qii n GLU 299 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1qii n GLU 299 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 31.44 31.56 1qii n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1qii h PHE 300 N 0.00 0.67 -3.69 -0.32 3.04 -1.93 -3.32 116.94 111.39 1qii h PHE 300 Ca 0.00 0.03 -0.68 0.00 3.98 0.00 0.00 57.97 61.30 1qii h PHE 300 Cb 0.00 -0.19 -0.31 0.00 2.56 0.00 0.00 35.95 38.01 1qii h PHE 300 CO 0.00 0.25 -0.69 -0.06 -2.02 0.00 0.00 178.31 175.79 1qii s PHE 301 N -6.05 3.22 0.14 0.41 0.08 -1.26 -4.29 117.98 110.23 1qii s PHE 301 Ca -0.13 -1.66 -0.28 0.00 0.12 0.00 0.00 56.93 54.98 1qii s PHE 301 Cb 0.18 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1qii s PHE 301 CO 0.77 -0.76 1.58 -1.35 -0.10 0.00 0.00 175.22 175.36 1qii h PRO 302 N 8.06 -0.42 0.00 0.24 0.11 -1.79 -1.00 132.00 137.19 1qii h PRO 302 Ca -0.24 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1qii h PRO 302 Cb 1.08 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qii h PRO 302 CO 0.56 -0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.32 1qii n THR 303 N -5.43 0.00 -2.90 -1.15 -2.24 -1.26 -4.34 114.28 96.96 1qii n THR 303 Ca -0.03 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 1qii n THR 303 Cb 0.35 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 1qii n THR 303 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qii s SER 304 N 1.00 6.92 0.24 3.42 1.04 -1.26 -4.80 113.70 120.26 1qii s SER 304 Ca 0.00 1.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 1qii s SER 304 Cb 0.00 -2.50 0.37 0.00 0.10 0.00 0.00 66.02 63.99 1qii s SER 304 CO 0.00 -0.30 1.83 -0.07 0.98 0.00 0.00 173.24 175.68 1qii h LEU 305 N 2.08 0.77 -0.88 2.42 3.38 -1.99 -2.20 115.31 118.89 1qii h LEU 305 Ca -0.49 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1qii h LEU 305 Cb 1.18 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1qii h LEU 305 CO 0.62 0.47 0.37 -0.08 0.09 0.00 0.00 178.44 179.92 1qii h GLU 306 N 0.89 1.19 0.00 1.13 4.57 -1.99 -0.64 114.58 119.73 1qii h GLU 306 Ca 0.39 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 58.28 1qii h GLU 306 Cb 0.26 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1qii h GLU 306 CO -0.21 0.92 -0.49 0.66 -1.18 0.00 0.00 179.01 178.72 1qii h SER 307 N 1.17 0.00 -0.23 1.04 4.64 -1.89 -1.58 113.55 116.70 1qii h SER 307 Ca 0.28 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.52 1qii h SER 307 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1qii h SER 307 CO -0.03 0.49 -0.18 0.24 -0.87 0.00 0.00 176.83 176.48 1qii h MET 308 N 0.00 0.52 0.00 4.77 2.86 -0.77 -1.17 114.93 121.14 1qii h MET 308 Ca -0.00 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1qii h MET 308 Cb 1.01 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 1qii h MET 308 CO 0.06 0.83 -0.35 -0.07 1.06 0.00 0.00 176.91 178.44 1qii h LEU 309 N 0.22 0.00 -0.00 1.22 3.38 -0.98 -2.01 115.31 117.14 1qii h LEU 309 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1qii h LEU 309 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1qii h LEU 309 CO 0.05 0.35 -1.01 0.78 0.09 0.00 0.00 178.44 178.70 1qii h ASN 310 N 0.00 0.02 0.09 -0.43 2.35 -1.18 -3.29 115.58 113.14 1qii h ASN 310 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1qii h ASN 310 Cb 0.65 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.01 1qii h ASN 310 CO 0.05 1.01 -0.11 -1.54 -1.65 0.00 0.00 177.43 175.19 1qii n SER 311 N -3.36 1.33 -0.38 5.81 3.41 -0.45 -4.92 113.62 115.05 1qii n SER 311 Ca -0.00 -1.25 -0.05 0.00 -0.26 0.00 0.00 58.87 57.31 1qii n SER 311 Cb 0.94 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.93 1qii n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qii n GLY 312 N 1.25 0.75 3.56 5.00 0.00 -1.02 -4.93 105.19 109.80 1qii n GLY 312 Ca 0.16 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1qii n GLY 312 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qii s ASN 313 N -2.67 6.81 -0.22 1.61 2.47 -0.79 -4.85 114.94 117.31 1qii s ASN 313 Ca 0.00 -2.36 -0.36 0.00 0.42 0.00 0.00 52.86 50.57 1qii s ASN 313 Cb 0.00 -2.56 0.14 0.00 -1.45 0.00 0.00 41.25 37.39 1qii s ASN 313 CO 0.00 -1.17 1.25 0.72 -3.72 0.00 0.00 177.10 174.18 1qii s PHE 314 N 4.02 -0.10 -0.03 0.43 -0.12 -1.26 -4.73 117.98 116.18 1qii s PHE 314 Ca 0.51 0.07 -0.31 0.00 -0.05 0.00 0.00 56.93 57.15 1qii s PHE 314 Cb 0.02 0.51 -0.09 0.00 -0.63 0.00 0.00 43.02 42.83 1qii s PHE 314 CO 0.04 -0.16 1.99 1.17 -0.05 0.00 0.00 175.22 178.21 1qii n LYS 315 N -0.04 2.57 -3.09 1.99 4.81 0.04 -4.95 118.16 119.49 1qii n LYS 315 Ca 0.01 0.92 -0.41 0.00 -0.87 0.00 0.00 58.31 57.96 1qii n LYS 315 Cb 0.58 -2.93 -0.06 0.00 0.02 0.00 0.00 35.03 32.63 1qii n LYS 315 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1qii s LYS 316 N 4.62 4.00 0.00 1.64 3.01 -1.26 -4.98 119.74 126.77 1qii s LYS 316 Ca 0.92 0.44 0.00 0.00 -1.01 0.00 0.00 55.97 56.32 1qii s LYS 316 Cb -0.50 -3.69 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 1qii s LYS 316 CO 0.44 -0.52 0.00 -2.37 0.51 0.00 0.00 175.35 173.41 1qii n THR 317 N 5.33 0.00 -4.22 2.17 5.66 -1.26 -4.83 114.28 117.13 1qii n THR 317 Ca -0.00 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.68 1qii n THR 317 Cb 0.49 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.18 1qii n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qii s GLN 318 N 1.49 2.74 0.03 1.09 1.11 -1.26 -1.28 119.66 123.58 1qii s GLN 318 Ca 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 55.36 54.70 1qii s GLN 318 Cb 0.00 -2.65 -0.02 0.00 -1.01 0.00 0.00 33.01 29.33 1qii s GLN 318 CO 0.00 0.60 -0.04 0.96 0.01 0.00 0.00 175.29 176.82 1qii s ILE 319 N -1.17 0.19 -0.09 1.08 -4.36 -0.64 -3.27 121.20 112.93 1qii s ILE 319 Ca 0.22 -1.01 0.01 0.00 -0.26 0.00 0.00 60.65 59.61 1qii s ILE 319 Cb -0.12 -0.42 0.02 0.00 1.25 0.00 0.00 42.46 43.19 1qii s ILE 319 CO 0.13 -0.52 -0.11 -0.22 0.24 0.00 0.00 174.94 174.46 1qii s LEU 320 N -1.60 1.50 0.23 0.37 0.20 -0.90 -1.88 118.68 116.60 1qii s LEU 320 Ca -0.13 -0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.24 1qii s LEU 320 Cb -0.09 -0.87 -0.00 0.00 -0.43 0.00 0.00 46.19 44.80 1qii s LEU 320 CO -0.01 -0.02 0.45 -1.48 -0.29 0.00 0.00 176.35 175.00 1qii s LEU 321 N 1.08 0.39 0.00 -0.68 2.34 -0.16 -1.40 118.68 120.24 1qii s LEU 321 Ca -0.06 -0.85 -0.12 0.00 0.06 0.00 0.00 54.13 53.15 1qii s LEU 321 Cb -0.14 1.73 0.04 0.00 -0.56 0.00 0.00 46.19 47.25 1qii s LEU 321 CO -0.01 -1.09 0.55 0.61 -1.06 0.00 0.00 176.35 175.35 1qii n GLY 322 N -0.35 0.38 3.22 -3.48 0.00 -1.10 -1.03 105.19 102.83 1qii n GLY 322 Ca -0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1qii n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qii s VAL 323 N -2.06 0.04 0.27 1.61 -7.23 -1.14 -1.19 120.40 110.71 1qii s VAL 323 Ca 0.13 -1.87 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1qii s VAL 323 Cb -0.00 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1qii s VAL 323 CO -0.01 -0.20 0.48 0.20 -0.31 0.00 0.00 175.10 175.26 1qii s ASN 324 N -3.09 6.36 0.16 4.85 0.01 -1.26 -1.09 114.94 120.87 1qii s ASN 324 Ca 0.30 0.46 -0.16 0.00 -0.71 0.00 0.00 52.86 52.76 1qii s ASN 324 Cb 0.06 -2.03 0.04 0.00 0.41 0.00 0.00 41.25 39.73 1qii s ASN 324 CO 0.07 -0.17 1.80 0.50 -1.51 0.00 0.00 177.10 177.80 1qii h LYS 325 N 1.44 0.50 -2.29 -0.60 3.64 -1.41 -3.32 116.57 114.53 1qii h LYS 325 Ca -0.49 -0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.23 1qii h LYS 325 Cb 1.20 -0.11 -0.39 0.00 -0.41 0.00 0.00 32.23 32.52 1qii h LYS 325 CO 0.65 0.33 -0.36 -0.25 -2.27 0.00 0.00 179.45 177.55 1qii n ASP 326 N -4.84 4.87 0.18 4.20 8.00 -0.79 -4.89 116.55 123.28 1qii n ASP 326 Ca 0.01 -3.65 0.17 0.00 0.71 0.00 0.00 54.79 52.03 1qii n ASP 326 Cb 0.05 -0.68 0.80 0.00 -0.02 0.00 0.00 41.12 41.27 1qii n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qii h GLU 327 N 3.36 0.00 0.00 -1.24 4.39 -1.73 -3.26 114.58 116.10 1qii h GLU 327 Ca 0.20 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.71 1qii h GLU 327 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1qii h GLU 327 CO 0.89 0.00 -1.61 0.41 -1.16 0.00 0.00 179.01 177.53 1qii n GLY 328 N -1.44 -1.14 0.46 -3.84 0.00 -1.26 -4.48 105.19 93.49 1qii n GLY 328 Ca 0.02 -0.17 0.34 0.00 0.00 0.00 0.00 46.02 46.21 1qii n GLY 328 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qii h SER 329 N 0.00 0.27 -0.16 1.61 4.64 -1.80 -0.95 113.55 117.16 1qii h SER 329 Ca -0.21 0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1qii h SER 329 Cb 1.67 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.82 1qii h SER 329 CO 0.04 -0.09 -0.04 0.15 -0.87 0.00 0.00 176.83 176.02 1qii h PHE 330 N 0.16 0.47 0.00 4.77 3.04 -1.83 -2.36 116.94 121.19 1qii h PHE 330 Ca 0.75 -0.05 -0.11 0.00 3.98 0.00 0.00 57.97 62.54 1qii h PHE 330 Cb 2.31 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 40.67 1qii h PHE 330 CO -0.00 0.49 -0.79 0.74 -2.02 0.00 0.00 178.31 176.73 1qii h PHE 331 N 0.43 0.00 -0.11 0.41 -1.00 -1.48 -3.18 116.94 112.01 1qii h PHE 331 Ca 0.09 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.64 1qii h PHE 331 Cb 0.35 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.92 1qii h PHE 331 CO 0.01 0.43 -0.85 -0.07 -1.61 0.00 0.00 178.31 176.22 1qii h LEU 332 N 0.00 0.90 -0.42 1.54 3.38 -1.40 -1.04 115.31 118.27 1qii h LEU 332 Ca -0.05 -0.63 0.03 0.00 0.09 0.00 0.00 57.88 57.32 1qii h LEU 332 Cb 1.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1qii h LEU 332 CO 0.05 1.43 0.21 0.25 0.09 0.00 0.00 178.44 180.47 1qii h LEU 333 N 0.48 0.32 0.00 1.67 5.85 -1.49 0.88 115.31 123.02 1qii h LEU 333 Ca -0.07 0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 1qii h LEU 333 Cb 1.48 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1qii h LEU 333 CO 0.17 0.23 -0.61 1.88 -0.34 0.00 0.00 178.44 179.76 1qii h TYR 334 N 0.43 0.00 0.00 1.25 -1.99 -1.57 -3.43 116.97 111.66 1qii h TYR 334 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1qii h TYR 334 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1qii h TYR 334 CO -0.10 0.61 -0.68 0.41 -0.00 0.00 0.00 178.16 178.41 1qii n GLY 335 N 1.25 0.00 3.77 3.88 0.00 -0.40 -5.05 105.19 108.65 1qii n GLY 335 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1qii n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qii s ALA 336 N -1.36 3.60 0.27 4.61 0.00 0.28 -5.03 121.76 124.13 1qii s ALA 336 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 1qii s ALA 336 Cb 0.00 -2.47 -0.11 0.00 0.00 0.00 0.00 23.12 20.54 1qii s ALA 336 CO 0.00 0.23 1.52 -1.25 0.00 0.00 0.00 175.76 176.27 1qii s PRO 337 N -0.15 4.19 0.00 0.00 0.04 -1.26 -3.25 135.00 134.58 1qii s PRO 337 Ca 0.23 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1qii s PRO 337 Cb -0.15 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1qii s PRO 337 CO 0.10 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.02 1qii n GLY 338 N 2.26 1.40 3.83 0.56 0.00 -1.26 -4.88 105.19 107.10 1qii n GLY 338 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1qii n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qii s PHE 339 N -1.68 3.72 0.00 1.61 0.40 -1.20 -4.65 117.98 116.18 1qii s PHE 339 Ca 0.00 1.13 -0.02 0.00 -0.60 0.00 0.00 56.93 57.43 1qii s PHE 339 Cb 0.00 -2.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1qii s PHE 339 CO 0.00 0.55 0.04 -1.12 0.70 0.00 0.00 175.22 175.39 1qii s SER 340 N -1.33 0.09 0.44 1.36 0.01 -1.26 -4.90 113.70 108.10 1qii s SER 340 Ca 0.31 -0.22 0.22 0.00 1.31 0.00 0.00 55.95 57.57 1qii s SER 340 Cb -0.17 0.13 1.01 0.00 0.21 0.00 0.00 66.02 67.20 1qii s SER 340 CO 0.18 -0.22 1.89 0.50 0.41 0.00 0.00 173.24 175.99 1qii h LYS 341 N 5.04 0.00 -0.41 12.44 3.64 -1.98 -3.18 116.57 132.11 1qii h LYS 341 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1qii h LYS 341 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1qii h LYS 341 CO 0.43 0.25 0.00 -0.25 -2.27 0.00 0.00 179.45 177.61 1qii n ASP 342 N -3.62 4.03 -4.22 4.20 9.92 -1.26 -4.42 116.55 121.19 1qii n ASP 342 Ca -0.01 -2.61 -0.13 0.00 -0.53 0.00 0.00 54.79 51.51 1qii n ASP 342 Cb 0.38 -0.49 -0.10 0.00 -0.64 0.00 0.00 41.12 40.27 1qii n ASP 342 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1qii s SER 343 N -1.34 0.54 0.01 -2.24 1.04 -1.20 -5.01 113.70 105.49 1qii s SER 343 Ca 0.41 -1.32 0.13 0.00 0.48 0.00 0.00 55.95 55.65 1qii s SER 343 Cb 0.29 0.28 0.57 0.00 0.10 0.00 0.00 66.02 67.26 1qii s SER 343 CO 0.15 -0.76 1.43 -0.62 0.98 0.00 0.00 173.24 174.42 1qii n GLU 344 N -0.26 0.01 -3.78 4.02 1.02 -1.26 -4.68 120.64 115.70 1qii n GLU 344 Ca -0.01 0.28 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 1qii n GLU 344 Cb 0.65 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.59 1qii n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1qii n SER 345 N -1.52 -4.63 -4.71 1.62 7.64 -1.26 -4.90 113.62 105.86 1qii n SER 345 Ca 0.03 -1.07 -0.42 0.00 1.01 0.00 0.00 58.87 58.42 1qii n SER 345 Cb 0.15 -3.01 -0.03 0.00 -1.01 0.00 0.00 64.21 60.31 1qii n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qii s LYS 346 N -6.32 4.51 -0.13 1.43 1.02 -1.26 -4.78 119.74 114.22 1qii s LYS 346 Ca 0.44 1.33 -0.07 0.00 0.02 0.00 0.00 55.97 57.69 1qii s LYS 346 Cb -0.17 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 1qii s LYS 346 CO 0.89 -0.08 0.12 0.42 -0.92 0.00 0.00 175.35 175.77 1qii s ILE 347 N 1.17 5.32 0.85 2.17 -1.09 -0.90 -4.98 121.20 123.73 1qii s ILE 347 Ca 0.49 0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.94 1qii s ILE 347 Cb -0.20 -3.32 0.14 0.00 -1.58 0.00 0.00 42.46 37.50 1qii s ILE 347 CO 0.25 0.59 1.19 -0.94 -1.23 0.00 0.00 174.94 174.79 1qii s SER 348 N -0.79 3.87 0.24 3.58 1.04 -1.26 -4.19 113.70 116.18 1qii s SER 348 Ca 0.13 0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 1qii s SER 348 Cb -0.12 -0.56 0.25 0.00 0.10 0.00 0.00 66.02 65.69 1qii s SER 348 CO 0.03 -2.24 1.75 0.03 0.98 0.00 0.00 173.24 173.79 1qii h ARG 349 N -1.17 0.97 0.30 4.02 2.47 -1.93 -1.28 114.38 117.77 1qii h ARG 349 Ca -0.43 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 1qii h ARG 349 Cb 1.27 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 29.44 1qii h ARG 349 CO 0.47 0.88 -0.36 0.93 0.56 0.00 0.00 179.97 182.46 1qii h GLU 350 N 0.92 -0.68 0.00 0.04 4.39 -1.99 -2.51 114.58 114.75 1qii h GLU 350 Ca 0.19 0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 1qii h GLU 350 Cb 0.38 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1qii h GLU 350 CO 0.01 -0.45 -0.24 -0.44 -1.16 0.00 0.00 179.01 176.73 1qii h ASP 351 N -0.71 0.00 0.30 1.42 3.32 -1.87 -2.54 116.42 116.34 1qii h ASP 351 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1qii h ASP 351 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1qii h ASP 351 CO -0.10 0.24 -0.14 0.15 -1.72 0.00 0.00 179.24 177.66 1qii h PHE 352 N 0.00 -0.37 -0.05 4.55 3.57 -0.88 -0.06 116.94 123.69 1qii h PHE 352 Ca -0.00 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1qii h PHE 352 Cb 0.71 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1qii h PHE 352 CO 0.00 -0.17 -0.25 0.52 -2.23 0.00 0.00 178.31 176.18 1qii h MET 353 N -0.49 0.09 -0.47 1.11 2.86 -1.39 -0.64 114.93 115.99 1qii h MET 353 Ca -0.04 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.47 1qii h MET 353 Cb 0.37 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1qii h MET 353 CO 0.07 0.34 -0.12 0.77 1.06 0.00 0.00 176.91 179.03 1qii h SER 354 N 0.08 0.86 -0.70 1.22 0.02 -1.21 -2.33 113.55 111.49 1qii h SER 354 Ca 0.01 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 1qii h SER 354 Cb 0.50 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1qii h SER 354 CO 0.04 0.99 0.21 1.23 -1.14 0.00 0.00 176.83 178.16 1qii h GLY 355 N 0.97 1.19 1.27 -3.77 0.00 0.19 -1.95 103.07 100.97 1qii h GLY 355 Ca 0.12 -0.71 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1qii h GLY 355 CO 0.04 0.66 0.02 -2.08 0.00 0.00 0.00 176.54 175.19 1qii h VAL 356 N 1.07 1.25 -0.69 4.60 2.07 -0.93 0.05 116.25 123.67 1qii h VAL 356 Ca 0.23 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1qii h VAL 356 Cb 0.31 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1qii h VAL 356 CO -0.01 0.37 0.23 0.50 0.02 0.00 0.00 177.57 178.68 1qii h LYS 357 N 0.83 1.05 0.00 1.57 1.63 -1.09 -1.76 116.57 118.80 1qii h LYS 357 Ca 0.16 -0.21 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 1qii h LYS 357 Cb 0.47 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1qii h LYS 357 CO 0.02 0.89 -0.60 -0.07 -3.45 0.00 0.00 179.45 176.24 1qii h LEU 358 N 1.02 0.00 0.07 5.20 4.07 -0.80 -3.26 115.31 121.60 1qii h LEU 358 Ca 0.23 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.91 1qii h LEU 358 Cb 0.27 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1qii h LEU 358 CO -0.01 0.60 -1.42 0.28 -1.08 0.00 0.00 178.44 176.81 1qii h SER 359 N 0.00 0.23 -2.19 -0.43 0.02 -0.65 -1.52 113.55 109.00 1qii h SER 359 Ca -0.01 -0.31 -0.60 0.00 -0.84 0.00 0.00 61.79 60.03 1qii h SER 359 Cb 1.17 -0.07 -0.42 0.00 0.14 0.00 0.00 62.40 63.22 1qii h SER 359 CO 0.08 1.26 -0.62 0.52 -1.14 0.00 0.00 176.83 176.93 1qii n VAL 360 N -3.36 2.20 0.06 2.27 0.31 -0.69 -4.88 118.33 114.23 1qii n VAL 360 Ca -0.12 -5.16 0.15 0.00 -0.01 0.00 0.00 64.34 59.20 1qii n VAL 360 Cb 1.02 -2.09 0.64 0.00 -0.91 0.00 0.00 33.84 32.49 1qii n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qii h PRO 361 N 4.18 0.09 -0.36 5.55 0.13 -1.74 -2.74 132.00 137.11 1qii h PRO 361 Ca 0.19 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1qii h PRO 361 Cb 0.67 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1qii h PRO 361 CO 0.82 0.06 0.00 -2.39 -0.23 0.00 0.00 178.00 176.25 1qii n HIS 362 N -4.44 0.47 -3.65 1.56 1.44 -1.26 -4.93 115.22 104.41 1qii n HIS 362 Ca 0.06 -0.24 -0.37 0.00 -2.01 0.00 0.00 57.72 55.16 1qii n HIS 362 Cb 0.41 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.46 1qii n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qii s ALA 363 N -1.53 3.77 0.99 1.59 0.00 -1.04 -5.09 121.76 120.46 1qii s ALA 363 Ca 0.30 -0.39 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 1qii s ALA 363 Cb 0.16 -2.22 0.20 0.00 0.00 0.00 0.00 23.12 21.26 1qii s ALA 363 CO 0.22 0.54 1.22 0.54 0.00 0.00 0.00 175.76 178.28 1qii s ASN 364 N -1.11 2.81 0.44 0.00 2.20 -1.26 -4.71 114.94 113.32 1qii s ASN 364 Ca 0.21 0.56 0.12 0.00 -0.94 0.00 0.00 52.86 52.81 1qii s ASN 364 Cb -0.15 -0.80 1.02 0.00 -2.00 0.00 0.00 41.25 39.32 1qii s ASN 364 CO 0.10 -2.95 2.03 0.44 -2.94 0.00 0.00 177.10 173.79 1qii h ASP 365 N -1.78 0.33 -0.63 3.54 5.19 -1.99 -0.55 116.42 120.53 1qii h ASP 365 Ca -0.46 -0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.86 1qii h ASP 365 Cb 1.28 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 1qii h ASP 365 CO 0.45 0.22 0.04 0.25 -3.12 0.00 0.00 179.24 177.08 1qii h LEU 366 N 0.38 1.06 -0.39 1.55 5.85 -1.99 -1.92 115.31 119.84 1qii h LEU 366 Ca 0.19 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 1qii h LEU 366 Cb 0.27 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1qii h LEU 366 CO -0.05 1.08 -0.08 1.23 -0.34 0.00 0.00 178.44 180.29 1qii h GLY 367 N 1.00 0.81 1.21 3.75 0.00 -1.48 -1.43 103.07 106.92 1qii h GLY 367 Ca 0.18 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.90 1qii h GLY 367 CO 0.02 0.60 0.45 1.41 0.00 0.00 0.00 176.54 179.02 1qii h LEU 368 N 0.56 0.69 -0.43 3.11 3.38 -1.14 -0.88 115.31 120.60 1qii h LEU 368 Ca 0.10 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1qii h LEU 368 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1qii h LEU 368 CO 0.04 0.48 -0.11 0.44 0.09 0.00 0.00 178.44 179.38 1qii h ASP 369 N 0.80 0.84 -0.24 -0.43 3.32 -0.94 -2.01 116.42 117.76 1qii h ASP 369 Ca 0.27 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1qii h ASP 369 Cb 0.08 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1qii h ASP 369 CO -0.08 1.01 0.15 0.00 -1.72 0.00 0.00 179.24 178.60 1qii h ALA 370 N 0.86 0.30 -0.25 3.45 0.00 -0.13 -1.30 119.26 122.20 1qii h ALA 370 Ca 0.11 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1qii h ALA 370 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1qii h ALA 370 CO 0.04 -0.23 0.13 0.28 0.00 0.00 0.00 179.25 179.47 1qii h VAL 371 N 0.31 1.01 -0.68 0.00 2.07 -1.16 -1.38 116.25 116.41 1qii h VAL 371 Ca 0.09 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1qii h VAL 371 Cb -0.03 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1qii h VAL 371 CO -0.02 0.05 0.42 0.74 0.02 0.00 0.00 177.57 178.77 1qii h THR 372 N 0.27 1.06 -0.61 2.57 2.02 -1.18 -2.09 112.91 114.96 1qii h THR 372 Ca 0.10 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 1qii h THR 372 Cb 0.01 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1qii h THR 372 CO -0.06 0.15 0.14 0.25 0.37 0.00 0.00 175.52 176.37 1qii h LEU 373 N 0.80 0.93 -1.78 2.58 5.85 -1.01 -2.58 115.31 120.10 1qii h LEU 373 Ca 0.28 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1qii h LEU 373 Cb 0.06 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1qii h LEU 373 CO -0.13 0.93 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.26 1qii h GLN 374 N 0.89 0.00 0.00 1.25 5.75 -0.68 -3.23 115.11 119.09 1qii h GLN 374 Ca 0.19 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1qii h GLN 374 Cb 0.36 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 1qii h GLN 374 CO 0.00 0.03 -0.07 0.66 -2.65 0.00 0.00 178.83 176.80 1qii n TYR 375 N -3.15 0.00 -5.27 3.99 4.01 -0.84 -5.03 117.16 110.87 1qii n TYR 375 Ca -0.00 -1.00 -0.31 0.00 -0.16 0.00 0.00 57.90 56.42 1qii n TYR 375 Cb 0.26 -0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 38.98 1qii n TYR 375 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1qii s THR 376 N -2.78 2.09 -0.62 -0.72 2.01 -0.99 -4.82 115.64 109.81 1qii s THR 376 Ca 0.31 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.10 1qii s THR 376 Cb 0.28 -1.74 0.16 0.00 0.01 0.00 0.00 72.50 71.20 1qii s THR 376 CO 0.02 0.57 0.56 -0.62 -0.69 0.00 0.00 174.62 174.46 1qii s ASP 377 N -0.36 6.26 0.00 3.53 -1.08 -1.26 -4.93 116.67 118.83 1qii s ASP 377 Ca 0.02 -2.11 0.08 0.00 -0.52 0.00 0.00 52.55 50.03 1qii s ASP 377 Cb -0.12 -2.17 0.45 0.00 -1.46 0.00 0.00 42.92 39.62 1qii s ASP 377 CO 0.02 -0.74 1.04 0.79 0.52 0.00 0.00 175.17 176.80 1qii n TRP 378 N 4.76 0.00 1.25 -5.34 7.02 -1.26 -0.66 117.44 123.21 1qii n TRP 378 Ca -0.04 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.57 1qii n TRP 378 Cb 0.42 -0.15 0.40 0.00 -2.42 0.00 0.00 31.31 29.56 1qii n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1qii n MET 379 N -1.15 0.78 -2.69 -0.99 2.81 -1.26 -4.31 117.12 110.32 1qii n MET 379 Ca 0.05 -0.44 -0.05 0.00 -1.81 0.00 0.00 57.70 55.45 1qii n MET 379 Cb 0.05 -1.49 0.12 0.00 -0.71 0.00 0.00 33.22 31.18 1qii n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1qii n ASP 380 N -0.72 -1.50 0.33 7.83 2.03 0.17 -5.02 116.55 119.67 1qii n ASP 380 Ca 0.12 -2.37 0.21 0.00 0.52 0.00 0.00 54.79 53.27 1qii n ASP 380 Cb 0.34 0.79 1.12 0.00 -0.72 0.00 0.00 41.12 42.65 1qii n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1qii h ASP 381 N 1.71 0.00 -0.42 1.67 2.03 -1.51 -2.46 116.42 117.43 1qii h ASP 381 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 1qii h ASP 381 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 1qii h ASP 381 CO -0.08 0.00 0.00 0.59 -1.03 0.00 0.00 179.24 178.72 1qii n ASN 382 N -3.14 4.38 -4.58 4.15 3.02 -1.26 -4.75 115.26 113.08 1qii n ASN 382 Ca -0.03 -2.77 -0.42 0.00 -0.03 0.00 0.00 54.58 51.33 1qii n ASN 382 Cb 0.13 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.73 1qii n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qii s ASN 383 N -1.36 6.38 0.52 6.41 3.04 -0.93 -4.89 114.94 124.11 1qii s ASN 383 Ca 0.45 0.23 0.21 0.00 0.04 0.00 0.00 52.86 53.78 1qii s ASN 383 Cb 0.33 -2.55 1.33 0.00 -1.54 0.00 0.00 41.25 38.82 1qii s ASN 383 CO 0.14 -1.51 2.06 1.23 -3.04 0.00 0.00 177.10 175.98 1qii h GLY 384 N 12.16 0.02 2.00 1.21 0.00 -1.91 -1.54 103.07 115.02 1qii h GLY 384 Ca -0.25 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 1qii h GLY 384 CO 1.17 0.00 -0.80 -2.22 0.00 0.00 0.00 176.54 174.70 1qii h ILE 385 N 0.02 1.45 0.03 2.60 2.04 -1.90 -2.28 117.51 119.46 1qii h ILE 385 Ca 0.14 -2.85 -0.23 0.00 1.00 0.00 0.00 64.86 62.93 1qii h ILE 385 Cb 0.55 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1qii h ILE 385 CO -0.00 0.78 -0.98 0.11 0.00 0.00 0.00 178.15 178.05 1qii h LYS 386 N 0.00 0.33 -0.09 2.37 1.57 -1.68 -2.59 116.57 116.48 1qii h LYS 386 Ca -0.01 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.26 1qii h LYS 386 Cb 1.52 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 1qii h LYS 386 CO 0.10 1.09 -0.53 -0.91 -0.57 0.00 0.00 179.45 178.63 1qii h ASN 387 N 0.17 0.27 0.33 0.86 2.35 -1.39 -0.29 115.58 117.88 1qii h ASN 387 Ca -0.08 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 1qii h ASN 387 Cb 1.64 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.93 1qii h ASN 387 CO 0.16 0.75 -0.16 -0.09 -1.65 0.00 0.00 177.43 176.45 1qii h ARG 388 N 0.19 -0.42 0.00 0.81 2.43 -1.43 -1.73 114.38 114.23 1qii h ARG 388 Ca 0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1qii h ARG 388 Cb 1.00 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1qii h ARG 388 CO 0.08 -0.12 -0.14 -0.44 -1.51 0.00 0.00 179.97 177.84 1qii h ASP 389 N -0.74 0.00 -0.32 -3.80 3.32 -1.48 -0.82 116.42 112.58 1qii h ASP 389 Ca -0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 1qii h ASP 389 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1qii h ASP 389 CO 0.07 0.14 -0.39 1.23 -1.72 0.00 0.00 179.24 178.58 1qii h GLY 390 N 1.18 0.89 1.13 2.75 0.00 -0.91 -0.27 103.07 107.86 1qii h GLY 390 Ca -0.00 -0.96 -0.13 0.00 0.00 0.00 0.00 47.33 46.24 1qii h GLY 390 CO 0.02 0.86 -0.22 -2.00 0.00 0.00 0.00 176.54 175.20 1qii h LEU 391 N 0.59 1.01 -0.45 3.11 5.85 -0.87 -1.85 115.31 122.70 1qii h LEU 391 Ca 0.04 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1qii h LEU 391 Cb 0.98 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1qii h LEU 391 CO 0.09 1.18 0.24 -0.78 -0.34 0.00 0.00 178.44 178.84 1qii h ASP 392 N 0.85 0.58 -0.81 1.25 1.82 -1.02 -2.36 116.42 116.72 1qii h ASP 392 Ca 0.11 -0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 1qii h ASP 392 Cb 0.80 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.63 1qii h ASP 392 CO 0.07 0.51 0.35 0.44 -1.61 0.00 0.00 179.24 179.00 1qii h ASP 393 N 0.60 1.10 0.20 2.28 3.32 -0.84 -2.63 116.42 120.43 1qii h ASP 393 Ca 0.16 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qii h ASP 393 Cb 0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1qii h ASP 393 CO -0.02 0.95 -0.17 0.40 -1.72 0.00 0.00 179.24 178.68 1qii h ILE 394 N 1.17 0.62 -0.88 0.35 2.04 -0.99 0.13 117.51 119.95 1qii h ILE 394 Ca 0.27 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.14 1qii h ILE 394 Cb 0.18 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1qii h ILE 394 CO -0.03 0.00 0.58 0.58 0.00 0.00 0.00 178.15 179.28 1qii h VAL 395 N -0.39 1.23 -0.13 1.67 2.07 -1.39 -1.07 116.25 118.24 1qii h VAL 395 Ca -0.00 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 1qii h VAL 395 Cb 0.36 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1qii h VAL 395 CO -0.03 0.22 -0.19 1.23 0.02 0.00 0.00 177.57 178.83 1qii h GLY 396 N 1.20 0.39 0.95 2.17 0.00 -1.30 -2.37 103.07 104.10 1qii h GLY 396 Ca 0.32 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1qii h GLY 396 CO -0.07 0.39 -0.11 -0.55 0.00 0.00 0.00 176.54 176.20 1qii h ASP 397 N -0.04 -0.27 0.15 0.19 3.32 -0.62 0.15 116.42 119.29 1qii h ASP 397 Ca 0.01 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 1qii h ASP 397 Cb 0.75 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1qii h ASP 397 CO 0.04 -0.14 -0.28 -0.74 -1.72 0.00 0.00 179.24 176.40 1qii h HIS 398 N -0.38 0.25 0.00 4.55 2.76 -1.31 0.11 115.15 121.14 1qii h HIS 398 Ca -0.03 -0.05 -0.26 0.00 -2.20 0.00 0.00 60.37 57.83 1qii h HIS 398 Cb 0.29 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.14 1qii h HIS 398 CO -0.04 0.49 -2.23 0.09 -1.30 0.00 0.00 177.93 174.93 1qii n ASN 399 N -4.14 0.05 0.07 3.26 3.02 -0.89 -4.66 115.26 111.96 1qii n ASN 399 Ca -0.01 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1qii n ASN 399 Cb 0.38 1.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.78 1qii n ASN 399 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qii n VAL 400 N -2.62 0.65 0.27 2.41 0.31 0.39 -4.70 118.33 115.04 1qii n VAL 400 Ca -0.24 0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 1qii n VAL 400 Cb 0.98 -1.20 -0.07 0.00 -0.91 0.00 0.00 33.84 32.64 1qii n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1qii h ILE 401 N 0.00 0.31 -0.27 2.52 2.04 -1.28 -2.06 117.51 118.76 1qii h ILE 401 Ca 0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1qii h ILE 401 Cb 0.12 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1qii h ILE 401 CO 0.00 0.05 0.09 0.00 0.00 0.00 0.00 178.15 178.29 1qii h PRO 403 N 0.38 0.47 -0.13 0.00 0.11 -1.70 -2.75 132.00 128.38 1qii h PRO 403 Ca 0.09 -0.32 -0.15 0.00 0.11 0.00 0.00 66.00 65.73 1qii h PRO 403 Cb 0.11 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1qii h PRO 403 CO -0.01 0.93 -0.58 1.25 -0.21 0.00 0.00 178.00 179.38 1qii h LEU 404 N 0.35 0.45 -1.34 2.35 6.46 -0.89 -2.53 115.31 120.17 1qii h LEU 404 Ca -0.00 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1qii h LEU 404 Cb 1.15 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 1qii h LEU 404 CO 0.11 0.94 -0.22 0.24 -0.62 0.00 0.00 178.44 178.88 1qii h MET 405 N 0.30 0.00 -0.06 1.25 2.86 -1.22 -0.61 114.93 117.46 1qii h MET 405 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.40 1qii h MET 405 Cb 1.11 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.78 1qii h MET 405 CO 0.10 0.22 -0.91 1.25 1.06 0.00 0.00 176.91 178.63 1qii h HIS 406 N 0.00 1.03 -0.08 -0.22 -0.00 -1.25 -2.34 115.15 112.30 1qii h HIS 406 Ca -0.00 -0.52 -0.01 0.00 -0.00 0.00 0.00 60.37 59.84 1qii h HIS 406 Cb 0.64 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1qii h HIS 406 CO 0.00 1.35 0.01 0.35 -0.00 0.00 0.00 177.93 179.64 1qii h PHE 407 N 0.42 0.14 -0.47 5.26 3.57 -1.11 -1.72 116.94 123.02 1qii h PHE 407 Ca -0.10 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1qii h PHE 407 Cb 1.56 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1qii h PHE 407 CO 0.10 0.36 0.16 -0.24 -2.23 0.00 0.00 178.31 176.46 1qii h VAL 408 N -0.12 1.19 -0.01 1.41 3.04 -1.18 0.18 116.25 120.76 1qii h VAL 408 Ca 0.02 -0.63 -0.16 0.00 -1.01 0.00 0.00 66.70 64.92 1qii h VAL 408 Cb 0.30 0.66 -0.02 0.00 -2.01 0.00 0.00 31.29 30.22 1qii h VAL 408 CO 0.00 0.24 -0.75 0.78 -1.01 0.00 0.00 177.57 176.83 1qii h ASN 409 N 0.68 0.09 0.39 3.17 2.35 -1.34 -1.78 115.58 119.14 1qii h ASN 409 Ca 0.16 -0.06 -0.27 0.00 -0.55 0.00 0.00 56.30 55.58 1qii h ASN 409 Cb 0.19 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.54 1qii h ASN 409 CO -0.01 0.81 -1.17 0.11 -1.65 0.00 0.00 177.43 175.52 1qii h LYS 410 N 0.04 0.42 0.10 0.81 1.79 -0.76 -3.33 116.57 115.64 1qii h LYS 410 Ca -0.02 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 57.87 1qii h LYS 410 Cb 1.32 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.17 1qii h LYS 410 CO 0.10 1.24 -0.05 -0.92 -1.08 0.00 0.00 179.45 178.74 1qii h TYR 411 N 0.18 -0.13 -0.37 -1.35 3.20 -0.65 -3.14 116.97 114.71 1qii h TYR 411 Ca -0.14 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.84 1qii h TYR 411 Cb 1.85 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 40.15 1qii h TYR 411 CO 0.08 0.28 0.56 1.15 -1.64 0.00 0.00 178.16 178.58 1qii h THR 412 N -0.58 0.21 0.00 1.81 2.02 -1.46 0.24 112.91 115.15 1qii h THR 412 Ca -0.01 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1qii h THR 412 Cb 0.47 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1qii h THR 412 CO 0.02 0.00 -0.27 0.50 0.37 0.00 0.00 175.52 176.15 1qii h LYS 413 N 0.00 0.00 0.00 6.66 3.64 -1.65 -3.28 116.57 121.93 1qii h LYS 413 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1qii h LYS 413 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1qii h LYS 413 CO -0.00 0.27 0.00 1.19 -2.27 0.00 0.00 179.45 178.63 1qii n PHE 414 N -3.62 0.00 -1.77 1.91 3.01 0.55 -5.09 117.46 112.45 1qii n PHE 414 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.15 1qii n PHE 414 Cb 0.39 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.06 1qii n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1qii s GLY 415 N -0.40 1.74 -0.25 1.37 0.00 0.46 -4.82 107.32 105.43 1qii s GLY 415 Ca 0.00 -1.16 0.11 0.00 0.00 0.00 0.00 44.72 43.67 1qii s GLY 415 CO 0.00 -0.36 1.37 -2.01 0.00 0.00 0.00 173.10 172.09 1qii n ASN 416 N -3.97 2.34 0.00 1.64 2.85 -0.40 -4.91 115.26 112.81 1qii n ASN 416 Ca 0.15 -3.71 0.00 0.00 -0.11 0.00 0.00 54.58 50.91 1qii n ASN 416 Cb 0.59 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 41.03 1qii n ASN 416 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qii n GLY 417 N -1.10 3.86 3.08 8.20 0.00 -1.25 -4.67 105.19 113.31 1qii n GLY 417 Ca 0.27 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1qii n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qii s THR 418 N 0.00 1.06 -0.14 2.61 2.01 -1.26 -1.63 115.64 118.29 1qii s THR 418 Ca 0.00 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 1qii s THR 418 Cb 0.00 -0.91 0.03 0.00 0.01 0.00 0.00 72.50 71.64 1qii s THR 418 CO 0.00 0.31 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.87 1qii s TYR 419 N -0.08 1.51 -0.09 4.92 2.02 -0.79 0.25 117.35 125.10 1qii s TYR 419 Ca 0.01 -0.86 0.01 0.00 -0.37 0.00 0.00 57.07 55.86 1qii s TYR 419 Cb -0.08 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1qii s TYR 419 CO 0.00 -0.55 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.16 1qii s LEU 420 N 1.70 2.94 0.23 -1.29 2.96 -1.26 -0.99 118.68 122.98 1qii s LEU 420 Ca 0.03 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 53.85 1qii s LEU 420 Cb -0.14 -1.64 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1qii s LEU 420 CO -0.08 0.28 -0.11 -0.72 -1.32 0.00 0.00 176.35 174.41 1qii s TYR 421 N -0.35 1.78 -0.21 5.38 -0.85 -0.19 -2.16 117.35 120.74 1qii s TYR 421 Ca 0.04 -0.64 -0.03 0.00 -0.52 0.00 0.00 57.07 55.92 1qii s TYR 421 Cb -0.12 -0.91 0.07 0.00 0.38 0.00 0.00 41.96 41.37 1qii s TYR 421 CO 0.02 0.30 0.05 0.12 -1.52 0.00 0.00 175.55 174.53 1qii s PHE 422 N -3.02 1.00 -0.44 -3.49 5.36 -0.21 -2.88 117.98 114.31 1qii s PHE 422 Ca 0.25 -0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 55.06 1qii s PHE 422 Cb 0.01 -1.07 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 1qii s PHE 422 CO 0.09 -0.65 0.84 0.12 -1.46 0.00 0.00 175.22 174.15 1qii s PHE 423 N 1.87 2.99 -0.35 10.12 5.36 -0.25 -0.57 117.98 137.15 1qii s PHE 423 Ca 0.01 0.33 0.12 0.00 -0.96 0.00 0.00 56.93 56.43 1qii s PHE 423 Cb -0.17 -3.72 0.45 0.00 -0.34 0.00 0.00 43.02 39.24 1qii s PHE 423 CO -0.12 -0.97 1.07 0.27 -1.46 0.00 0.00 175.22 174.01 1qii n ASN 424 N 6.82 3.25 -4.17 6.13 6.94 -1.19 -1.44 115.26 131.59 1qii n ASN 424 Ca 0.04 -3.15 -0.33 0.00 -0.02 0.00 0.00 54.58 51.12 1qii n ASN 424 Cb 0.48 -0.46 -0.16 0.00 -2.36 0.00 0.00 39.78 37.28 1qii n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1qii s HIS 425 N -3.46 2.72 -0.31 -2.53 2.46 -1.26 -4.93 115.29 107.98 1qii s HIS 425 Ca 0.39 -1.40 -0.20 0.00 0.47 0.00 0.00 55.06 54.32 1qii s HIS 425 Cb 0.41 -1.86 -0.01 0.00 -0.13 0.00 0.00 32.58 30.99 1qii s HIS 425 CO -0.06 -0.66 0.59 0.50 -2.47 0.00 0.00 174.74 172.65 1qii s ARG 426 N 0.96 3.84 0.48 2.88 3.52 -1.26 -4.87 118.95 124.50 1qii s ARG 426 Ca -0.03 0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.53 1qii s ARG 426 Cb -0.15 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.41 1qii s ARG 426 CO -0.05 -0.58 0.89 0.00 -0.81 0.00 0.00 175.30 174.75 1qii n ALA 427 N 5.84 -0.17 0.22 6.12 0.00 -1.26 -4.90 120.51 126.35 1qii n ALA 427 Ca -0.02 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.66 1qii n ALA 427 Cb 0.49 -2.02 0.38 0.00 0.00 0.00 0.00 19.45 18.30 1qii n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qii h SER 428 N 1.05 0.00 -0.61 0.00 4.64 -1.96 -3.21 113.55 113.46 1qii h SER 428 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qii h SER 428 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1qii h SER 428 CO 0.54 0.20 0.00 -0.46 -0.87 0.00 0.00 176.83 176.24 1qii n ASN 429 N -3.27 4.46 -4.74 4.97 0.23 -1.26 -4.98 115.26 110.66 1qii n ASN 429 Ca 0.01 -2.40 -0.41 0.00 -0.53 0.00 0.00 54.58 51.25 1qii n ASN 429 Cb 0.48 -0.56 -0.02 0.00 -2.08 0.00 0.00 39.78 37.60 1qii n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qii s LEU 430 N -1.71 4.37 0.03 -4.53 1.43 -1.21 -4.91 118.68 112.14 1qii s LEU 430 Ca 0.48 2.75 0.24 0.00 -1.03 0.00 0.00 54.13 56.58 1qii s LEU 430 Cb 0.31 -3.62 0.41 0.00 0.03 0.00 0.00 46.19 43.31 1qii s LEU 430 CO 0.23 -0.79 1.34 1.33 0.23 0.00 0.00 176.35 178.70 1qii n VAL 431 N 2.50 0.08 -2.20 -1.59 0.24 -1.26 -4.92 118.33 111.18 1qii n VAL 431 Ca 0.08 -0.08 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1qii n VAL 431 Cb 0.39 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 32.95 1qii n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1qii s TRP 432 N -3.05 3.30 0.98 6.34 0.52 -1.26 -5.01 118.94 120.76 1qii s TRP 432 Ca 0.09 1.46 -0.11 0.00 0.02 0.00 0.00 56.10 57.56 1qii s TRP 432 Cb 0.16 -2.86 0.15 0.00 -1.15 0.00 0.00 33.47 29.77 1qii s TRP 432 CO 0.72 -0.68 0.95 -0.35 0.02 0.00 0.00 176.95 177.60 1qii n PRO 433 N -1.90 -0.82 -0.12 4.98 -0.04 -1.26 -4.92 135.00 130.92 1qii n PRO 433 Ca 0.07 -0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 1qii n PRO 433 Cb 0.54 -2.22 0.07 0.00 -0.04 0.00 0.00 33.50 31.85 1qii n PRO 433 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1qii h GLU 434 N -1.99 0.85 0.00 0.54 4.39 -1.94 -3.04 114.58 113.39 1qii h GLU 434 Ca -0.47 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 58.91 1qii h GLU 434 Cb 1.29 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1qii h GLU 434 CO 0.41 0.96 0.10 0.11 -1.16 0.00 0.00 179.01 179.43 1qii h TRP 435 N 0.75 0.00 0.00 4.33 5.08 -1.91 0.42 115.95 124.62 1qii h TRP 435 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.08 1qii h TRP 435 Cb 0.70 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.86 1qii h TRP 435 CO 0.04 0.00 -0.14 0.52 -1.28 0.00 0.00 178.44 177.58 1qii h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.90 -3.49 114.93 112.52 1qii h MET 436 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qii h MET 436 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1qii h MET 436 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 1qii n GLY 437 N 1.28 2.91 3.54 8.32 0.00 0.14 -4.12 105.19 117.25 1qii n GLY 437 Ca 0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1qii n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qii s VAL 438 N 0.00 4.07 0.54 1.61 1.01 -1.26 -4.88 120.40 121.50 1qii s VAL 438 Ca 0.00 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 60.76 1qii s VAL 438 Cb 0.00 -5.03 -0.05 0.00 0.00 0.00 0.00 36.38 31.30 1qii s VAL 438 CO 0.00 -1.88 1.23 -0.63 0.00 0.00 0.00 175.10 173.82 1qii s ILE 439 N 4.52 2.62 0.04 2.22 1.01 -1.26 -1.88 121.20 128.47 1qii s ILE 439 Ca 0.45 0.43 -0.35 0.00 0.00 0.00 0.00 60.65 61.17 1qii s ILE 439 Cb -0.00 -3.20 -0.14 0.00 0.01 0.00 0.00 42.46 39.13 1qii s ILE 439 CO -0.08 -0.04 1.61 1.57 0.00 0.00 0.00 174.94 177.99 1qii n HIS 440 N -1.14 2.08 -0.83 3.97 -0.00 -1.26 -1.96 115.22 116.08 1qii n HIS 440 Ca 0.11 0.33 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1qii n HIS 440 Cb 0.48 -2.51 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 1qii n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qii n GLY 441 N 3.50 0.86 1.16 1.57 0.00 -1.26 -4.92 105.19 106.10 1qii n GLY 441 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 1qii n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qii n TYR 442 N -2.14 0.91 0.08 1.61 4.02 -0.83 -3.47 117.16 117.34 1qii n TYR 442 Ca 0.00 -0.42 0.11 0.00 -0.01 0.00 0.00 57.90 57.58 1qii n TYR 442 Cb 0.00 -0.05 -0.04 0.00 -0.02 0.00 0.00 39.34 39.23 1qii n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1qii n GLU 443 N 1.15 0.62 -0.15 -0.72 0.00 -1.26 -4.15 120.64 116.13 1qii n GLU 443 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 57.16 57.40 1qii n GLU 443 Cb 0.57 -1.77 0.05 0.00 0.00 0.00 0.00 31.44 30.29 1qii n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1qii h ILE 444 N 0.00 0.66 -0.31 3.84 2.04 -1.96 -1.66 117.51 120.12 1qii h ILE 444 Ca -0.01 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1qii h ILE 444 Cb 1.03 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1qii h ILE 444 CO 0.00 0.03 0.24 1.05 0.00 0.00 0.00 178.15 179.47 1qii h GLU 445 N 0.15 0.00 0.11 2.37 4.11 -1.80 0.26 114.58 119.78 1qii h GLU 445 Ca 0.24 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.40 1qii h GLU 445 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1qii h GLU 445 CO -0.37 0.00 -1.19 0.74 0.07 0.00 0.00 179.01 178.27 1qii h PHE 446 N 0.00 0.49 -0.58 2.06 -1.00 -1.56 -0.67 116.94 115.69 1qii h PHE 446 Ca 0.15 -0.34 -0.08 0.00 2.81 0.00 0.00 57.97 60.51 1qii h PHE 446 Cb 0.63 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.14 1qii h PHE 446 CO 0.00 1.25 0.05 0.28 -1.61 0.00 0.00 178.31 178.28 1qii h VAL 447 N 0.09 1.25 -0.11 -0.55 2.07 -0.55 -2.40 116.25 116.05 1qii h VAL 447 Ca -0.12 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1qii h VAL 447 Cb 1.90 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1qii h VAL 447 CO 0.20 0.37 0.00 0.49 0.02 0.00 0.00 177.57 178.65 1qii n PHE 448 N -4.21 0.14 -2.51 1.57 3.01 -0.49 -4.71 117.46 110.26 1qii n PHE 448 Ca 0.03 -0.07 -0.14 0.00 1.01 0.00 0.00 57.45 58.28 1qii n PHE 448 Cb 0.30 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.78 1qii n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qii n GLY 449 N 1.12 -0.15 0.27 1.37 0.00 -0.91 -4.08 105.19 102.81 1qii n GLY 449 Ca 0.17 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1qii n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qii h LEU 450 N -0.46 0.00 -1.40 0.99 -0.00 -1.40 -2.50 115.31 110.53 1qii h LEU 450 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1qii h LEU 450 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1qii h LEU 450 CO 0.38 0.08 0.00 -0.65 -0.00 0.00 0.00 178.44 178.25 1qii h PRO 451 N 0.00 0.00 0.00 1.13 0.11 -1.91 -2.32 132.00 129.01 1qii h PRO 451 Ca -0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1qii h PRO 451 Cb 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1qii h PRO 451 CO 0.01 0.00 -0.23 -0.07 -0.21 0.00 0.00 178.00 177.50 1qii h LEU 452 N 0.00 0.00 -8.38 2.35 3.38 -1.78 -3.41 115.31 107.47 1qii h LEU 452 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1qii h LEU 452 Cb 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.74 1qii h LEU 452 CO 0.00 0.23 0.28 0.54 0.09 0.00 0.00 178.44 179.58 1qii s VAL 453 N -3.47 4.64 0.18 1.22 0.11 -0.87 -4.94 120.40 117.27 1qii s VAL 453 Ca 0.02 -0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 58.61 1qii s VAL 453 Cb 0.09 -4.44 0.13 0.00 -1.53 0.00 0.00 36.38 30.63 1qii s VAL 453 CO 0.65 -1.02 1.35 0.29 -3.33 0.00 0.00 175.10 173.04 1qii n LYS 454 N 6.80 -0.25 0.31 1.54 4.76 -1.26 -1.16 118.16 128.90 1qii n LYS 454 Ca -0.04 1.34 0.10 0.00 -2.87 0.00 0.00 58.31 56.83 1qii n LYS 454 Cb 0.46 -1.98 0.52 0.00 -1.84 0.00 0.00 35.03 32.19 1qii n LYS 454 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1qii h GLU 455 N 0.00 0.00 0.00 1.97 9.09 -1.96 0.59 114.58 124.27 1qii h GLU 455 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.67 1qii h GLU 455 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1qii h GLU 455 CO -0.85 0.00 -0.03 -0.07 0.05 0.00 0.00 179.01 178.11 1qii h LEU 456 N 0.00 0.00 -2.87 3.06 3.38 -1.47 -3.48 115.31 113.94 1qii h LEU 456 Ca 0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1qii h LEU 456 Cb 1.06 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.85 1qii h LEU 456 CO 0.00 0.00 -0.19 0.59 0.09 0.00 0.00 178.44 178.93 1qii n ASN 457 N -2.59 -3.15 -4.70 -0.43 3.02 0.21 -5.00 115.26 102.61 1qii n ASN 457 Ca 0.05 -0.16 -0.24 0.00 -0.03 0.00 0.00 54.58 54.20 1qii n ASN 457 Cb 0.47 -1.68 -0.07 0.00 -0.61 0.00 0.00 39.78 37.90 1qii n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qii s TYR 458 N -3.09 2.85 0.91 3.10 1.51 -1.26 -4.60 117.35 116.78 1qii s TYR 458 Ca 0.10 -0.17 -0.12 0.00 -1.01 0.00 0.00 57.07 55.87 1qii s TYR 458 Cb -0.01 -1.30 0.14 0.00 -0.11 0.00 0.00 41.96 40.67 1qii s TYR 458 CO 0.18 0.57 1.11 0.95 -1.11 0.00 0.00 175.55 177.25 1qii s THR 459 N -2.11 2.35 0.26 -0.71 -4.23 -1.26 -4.87 115.64 105.06 1qii s THR 459 Ca 0.31 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.92 1qii s THR 459 Cb -0.08 -2.74 0.09 0.00 1.34 0.00 0.00 72.50 71.11 1qii s THR 459 CO 0.21 -0.15 1.74 0.00 -0.54 0.00 0.00 174.62 175.88 1qii h ALA 460 N -1.54 1.09 0.00 3.99 0.00 -1.99 -2.34 119.26 118.47 1qii h ALA 460 Ca -0.51 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.02 1qii h ALA 460 Cb 1.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1qii h ALA 460 CO 0.59 0.56 -0.42 1.05 0.00 0.00 0.00 179.25 181.04 1qii h GLU 461 N 0.63 0.00 -0.20 0.00 9.09 -1.99 -2.53 114.58 119.58 1qii h GLU 461 Ca 0.11 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.37 1qii h GLU 461 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1qii h GLU 461 CO 0.03 0.42 -0.49 0.93 0.05 0.00 0.00 179.01 179.95 1qii h GLU 462 N 0.00 0.53 -0.15 1.06 5.08 -1.79 -1.18 114.58 118.12 1qii h GLU 462 Ca -0.00 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1qii h GLU 462 Cb 0.99 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1qii h GLU 462 CO 0.05 0.90 -0.46 1.49 -1.00 0.00 0.00 179.01 180.00 1qii h GLU 463 N 0.42 0.38 -0.63 2.33 4.81 -1.27 -1.49 114.58 119.14 1qii h GLU 463 Ca 0.02 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.95 1qii h GLU 463 Cb 1.01 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1qii h GLU 463 CO 0.09 0.77 0.04 0.00 -0.73 0.00 0.00 179.01 179.18 1qii h ALA 464 N 1.20 0.85 -0.54 2.92 0.00 -1.21 -2.27 119.26 120.20 1qii h ALA 464 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1qii h ALA 464 Cb 0.93 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1qii h ALA 464 CO 0.08 0.67 0.15 1.25 0.00 0.00 0.00 179.25 181.40 1qii h LEU 465 N 1.00 0.81 -1.09 0.00 5.85 -0.94 -2.10 115.31 118.83 1qii h LEU 465 Ca 0.18 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1qii h LEU 465 Cb 0.52 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 1qii h LEU 465 CO 0.03 0.81 0.61 -1.28 -0.34 0.00 0.00 178.44 178.27 1qii h SER 466 N 0.76 1.06 -0.28 1.25 0.87 -1.01 -1.08 113.55 115.12 1qii h SER 466 Ca 0.17 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.53 1qii h SER 466 Cb 0.31 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1qii h SER 466 CO -0.00 0.76 -0.48 0.03 -0.53 0.00 0.00 176.83 176.61 1qii h ARG 467 N 1.25 0.86 -0.15 2.24 3.08 -1.18 -0.84 114.38 119.63 1qii h ARG 467 Ca 0.34 -0.50 0.01 0.00 0.07 0.00 0.00 59.98 59.90 1qii h ARG 467 Cb -0.13 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1qii h ARG 467 CO -0.08 1.14 0.08 0.00 -1.07 0.00 0.00 179.97 180.04 1qii h ARG 468 N 0.67 0.17 -0.48 0.04 3.08 -0.90 -0.45 114.38 116.51 1qii h ARG 468 Ca 0.03 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1qii h ARG 468 Cb 1.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1qii h ARG 468 CO 0.11 0.11 0.14 0.82 -1.07 0.00 0.00 179.97 180.08 1qii h ILE 469 N 0.17 1.23 -0.16 2.04 2.04 -1.18 -0.63 117.51 121.02 1qii h ILE 469 Ca 0.06 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1qii h ILE 469 Cb 0.00 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1qii h ILE 469 CO -0.04 0.28 0.00 0.24 0.00 0.00 0.00 178.15 178.64 1qii h MET 470 N 0.64 0.22 0.03 2.37 2.86 -0.90 -0.10 114.93 120.05 1qii h MET 470 Ca 0.15 -0.03 -0.22 0.00 -2.06 0.00 0.00 59.70 57.54 1qii h MET 470 Cb 0.29 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1qii h MET 470 CO -0.00 0.25 -1.04 1.25 1.06 0.00 0.00 176.91 178.42 1qii h HIS 471 N 0.22 0.14 0.38 -0.22 -0.00 -0.73 -2.09 115.15 112.86 1qii h HIS 471 Ca 0.05 -0.10 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 1qii h HIS 471 Cb 0.16 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1qii h HIS 471 CO 0.00 1.06 -0.18 1.88 -0.00 0.00 0.00 177.93 180.69 1qii h TYR 472 N 0.03 -0.48 -0.38 5.26 0.05 -0.25 0.15 116.97 121.35 1qii h TYR 472 Ca -0.04 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.78 1qii h TYR 472 Cb 1.79 0.16 -0.05 0.00 1.01 0.00 0.00 36.73 39.63 1qii h TYR 472 CO 0.02 -0.15 0.08 -1.49 -1.05 0.00 0.00 178.16 175.57 1qii h TRP 473 N -0.91 0.13 -0.43 4.88 -0.00 -1.14 0.11 115.95 118.60 1qii h TRP 473 Ca -0.05 0.02 -0.15 0.00 -0.00 0.00 0.00 58.89 58.71 1qii h TRP 473 Cb 0.54 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 1qii h TRP 473 CO 0.02 0.02 -0.30 0.00 -0.00 0.00 0.00 178.44 178.18 1qii h ALA 474 N 1.28 0.62 0.00 1.49 0.00 -1.41 -0.12 119.26 121.11 1qii h ALA 474 Ca 0.18 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1qii h ALA 474 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1qii h ALA 474 CO -0.23 0.67 -0.45 1.15 0.00 0.00 0.00 179.25 180.39 1qii h THR 475 N 0.80 1.32 -0.07 0.00 2.02 -0.47 -2.23 112.91 114.28 1qii h THR 475 Ca 0.08 -1.55 -0.23 0.00 0.77 0.00 0.00 66.41 65.49 1qii h THR 475 Cb 0.89 1.84 0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1qii h THR 475 CO 0.08 0.44 -0.84 0.15 0.37 0.00 0.00 175.52 175.72 1qii h PHE 476 N 0.00 0.98 -0.52 3.16 3.57 -0.79 -2.02 116.94 121.31 1qii h PHE 476 Ca -0.00 -0.48 0.01 0.00 3.53 0.00 0.00 57.97 61.02 1qii h PHE 476 Cb 0.80 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1qii h PHE 476 CO 0.00 1.31 0.35 0.00 -2.23 0.00 0.00 178.31 177.74 1qii h ALA 477 N 0.45 1.66 0.18 2.41 0.00 -0.69 0.23 119.26 123.50 1qii h ALA 477 Ca -0.09 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.48 1qii h ALA 477 Cb 1.49 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 19.10 1qii h ALA 477 CO 0.17 0.31 -1.44 0.87 0.00 0.00 0.00 179.25 179.16 1qii h LYS 478 N 0.68 0.38 0.00 0.00 1.57 -1.39 -3.42 116.57 114.38 1qii h LYS 478 Ca 0.20 -0.65 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1qii h LYS 478 Cb -0.03 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1qii h LYS 478 CO -0.05 1.29 -0.69 0.25 -0.57 0.00 0.00 179.45 179.69 1qii n THR 479 N -3.59 0.00 -0.48 -0.16 -2.24 -0.76 -5.01 114.28 102.04 1qii n THR 479 Ca -0.15 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1qii n THR 479 Cb 1.06 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 1qii n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qii n GLY 480 N 1.94 0.76 3.03 3.38 0.00 0.81 -5.03 105.19 110.08 1qii n GLY 480 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1qii n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qii s ASN 481 N -2.04 0.21 0.30 1.61 3.84 -1.26 -4.94 114.94 112.66 1qii s ASN 481 Ca 0.00 0.61 0.23 0.00 0.21 0.00 0.00 52.86 53.91 1qii s ASN 481 Cb 0.00 0.68 1.10 0.00 -0.55 0.00 0.00 41.25 42.48 1qii s ASN 481 CO 0.00 -0.23 1.71 -0.81 -2.79 0.00 0.00 177.10 174.99 1qii n PRO 482 N 5.14 0.18 -3.49 0.43 -0.04 -1.26 -3.42 135.00 132.54 1qii n PRO 482 Ca -0.10 0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 63.55 1qii n PRO 482 Cb 0.50 -1.93 -0.05 0.00 -0.04 0.00 0.00 33.50 31.98 1qii n PRO 482 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qii s ASN 483 N -4.22 6.66 0.08 3.54 0.01 -1.26 -4.46 114.94 115.29 1qii s ASN 483 Ca 0.01 0.87 -0.30 0.00 -0.71 0.00 0.00 52.86 52.73 1qii s ASN 483 Cb 0.08 -2.21 -0.06 0.00 0.41 0.00 0.00 41.25 39.48 1qii s ASN 483 CO 0.32 0.08 1.16 -1.61 -1.51 0.00 0.00 177.10 175.54 1qii s GLU 484 N -2.23 4.47 0.01 -0.60 0.41 -1.26 -4.97 118.70 114.52 1qii s GLU 484 Ca 0.39 1.73 -0.01 0.00 -0.41 0.00 0.00 54.97 56.67 1qii s GLU 484 Cb -0.13 -3.34 -0.00 0.00 -1.78 0.00 0.00 34.13 28.87 1qii s GLU 484 CO 0.20 -0.18 0.80 -2.30 -0.49 0.00 0.00 175.26 173.29 1qii n PRO 485 N 3.65 -0.02 -1.02 0.39 -0.02 -1.26 -2.42 135.00 134.31 1qii n PRO 485 Ca 0.08 0.80 -0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1qii n PRO 485 Cb 0.47 -1.20 0.18 0.00 -0.02 0.00 0.00 33.50 32.93 1qii n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qii n HIS 486 N -2.88 1.79 -0.75 6.00 8.25 -1.26 -5.04 115.22 121.33 1qii n HIS 486 Ca 0.00 -1.80 -0.30 0.00 -0.26 0.00 0.00 57.72 55.37 1qii n HIS 486 Cb 0.01 -0.66 0.19 0.00 1.12 0.00 0.00 29.99 30.66 1qii n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1qii s SER 487 N -2.27 2.25 0.00 0.41 0.15 -1.01 -4.96 113.70 108.27 1qii s SER 487 Ca 0.49 1.77 0.13 0.00 0.70 0.00 0.00 55.95 59.04 1qii s SER 487 Cb 0.43 -2.38 -0.12 0.00 -1.71 0.00 0.00 66.02 62.24 1qii s SER 487 CO 0.02 -3.45 0.59 0.00 1.20 0.00 0.00 173.24 171.60 1qii n GLN 488 N -4.44 2.53 -1.03 5.44 1.13 -1.26 -5.01 117.38 114.75 1qii n GLN 488 Ca 0.07 -0.10 -0.29 0.00 -1.94 0.00 0.00 57.00 54.74 1qii n GLN 488 Cb 0.54 -1.13 0.22 0.00 0.11 0.00 0.00 30.24 29.97 1qii n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qii s GLU 489 N -2.17 -0.54 0.44 -1.09 0.41 -1.26 -4.98 118.70 109.51 1qii s GLU 489 Ca 0.06 0.31 -0.24 0.00 -0.41 0.00 0.00 54.97 54.68 1qii s GLU 489 Cb 0.10 -1.64 -0.08 0.00 -1.78 0.00 0.00 34.13 30.73 1qii s GLU 489 CO 0.52 -3.34 1.25 -1.12 -0.49 0.00 0.00 175.26 172.09 1qii s SER 490 N -3.49 6.15 -0.16 -0.19 0.01 -1.26 -5.01 113.70 109.75 1qii s SER 490 Ca 0.68 2.53 -0.13 0.00 1.31 0.00 0.00 55.95 60.34 1qii s SER 490 Cb -0.16 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.40 1qii s SER 490 CO 0.58 -0.95 0.28 -0.54 0.41 0.00 0.00 173.24 173.02 1qii s LYS 491 N -2.47 4.25 -0.66 12.44 -0.14 -1.26 -5.02 119.74 126.88 1qii s LYS 491 Ca 0.61 0.06 -0.27 0.00 -1.36 0.00 0.00 55.97 55.01 1qii s LYS 491 Cb -0.35 -3.42 0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1qii s LYS 491 CO 0.43 0.24 1.33 -0.46 -0.76 0.00 0.00 175.35 176.14 1qii s TRP 492 N 0.46 2.31 0.85 3.18 -0.11 -1.26 -4.99 118.94 119.37 1qii s TRP 492 Ca 0.16 0.23 -0.12 0.00 1.22 0.00 0.00 56.10 57.59 1qii s TRP 492 Cb -0.13 -4.51 0.11 0.00 -1.50 0.00 0.00 33.47 27.44 1qii s TRP 492 CO 0.03 -1.97 1.16 -1.25 -4.62 0.00 0.00 176.95 170.31 1qii s PRO 493 N 5.62 1.43 0.34 5.86 0.04 -1.26 -4.91 135.00 142.12 1qii s PRO 493 Ca 0.43 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 1qii s PRO 493 Cb -0.09 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.58 1qii s PRO 493 CO 0.20 -2.33 0.90 -1.17 0.04 0.00 0.00 177.00 174.64 1qii s LEU 494 N -6.12 4.21 -0.17 -3.56 2.96 -1.26 -4.72 118.68 110.01 1qii s LEU 494 Ca 0.69 1.70 -0.20 0.00 -0.22 0.00 0.00 54.13 56.10 1qii s LEU 494 Cb -0.25 -4.11 -0.03 0.00 0.50 0.00 0.00 46.19 42.30 1qii s LEU 494 CO 0.54 -0.15 0.57 0.12 -1.32 0.00 0.00 176.35 176.11 1qii s PHE 495 N -1.79 3.43 0.12 5.38 2.19 0.14 -4.51 117.98 122.93 1qii s PHE 495 Ca 0.53 0.90 0.09 0.00 0.33 0.00 0.00 56.93 58.78 1qii s PHE 495 Cb -0.15 -2.70 -0.04 0.00 -1.31 0.00 0.00 43.02 38.82 1qii s PHE 495 CO 0.20 -0.05 -0.22 0.95 1.83 0.00 0.00 175.22 177.93 1qii s THR 496 N 1.41 1.87 0.43 0.12 -4.23 -1.26 -4.27 115.64 109.70 1qii s THR 496 Ca 0.27 -1.64 0.18 0.00 -1.18 0.00 0.00 61.69 59.32 1qii s THR 496 Cb -0.16 -1.70 0.38 0.00 1.34 0.00 0.00 72.50 72.36 1qii s THR 496 CO 0.11 -0.05 1.88 0.74 -0.54 0.00 0.00 174.62 176.76 1qii h THR 497 N 3.94 0.71 0.09 3.99 2.02 -1.95 0.07 112.91 121.78 1qii h THR 497 Ca -0.47 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1qii h THR 497 Cb 1.18 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1qii h THR 497 CO 0.41 0.07 -0.04 0.50 0.37 0.00 0.00 175.52 176.82 1qii h LYS 498 N 0.39 -0.11 -0.01 6.66 3.64 -2.01 -3.40 116.57 121.73 1qii h LYS 498 Ca 0.43 0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.61 1qii h LYS 498 Cb 1.08 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1qii h LYS 498 CO -0.15 -0.08 -0.89 0.93 -2.27 0.00 0.00 179.45 177.00 1qii h GLU 499 N -0.53 0.35 -5.63 1.90 4.39 -1.95 -3.48 114.58 109.63 1qii h GLU 499 Ca -0.01 -0.36 -0.42 0.00 0.34 0.00 0.00 59.36 58.91 1qii h GLU 499 Cb 0.09 0.10 0.08 0.00 -0.10 0.00 0.00 28.75 28.92 1qii h GLU 499 CO 0.02 1.04 -0.68 1.04 -1.16 0.00 0.00 179.01 179.28 1qii n GLN 500 N -3.74 -6.72 -2.45 2.33 6.02 0.00 -4.56 117.38 108.27 1qii n GLN 500 Ca -0.05 0.79 -0.35 0.00 -0.01 0.00 0.00 57.00 57.37 1qii n GLN 500 Cb 0.80 -5.77 -0.03 0.00 1.02 0.00 0.00 30.24 26.27 1qii n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qii s LYS 501 N -6.24 3.79 0.20 -1.09 1.02 -1.26 -2.55 119.74 113.61 1qii s LYS 501 Ca 0.54 1.50 -0.15 0.00 0.02 0.00 0.00 55.97 57.88 1qii s LYS 501 Cb -0.25 -2.22 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 1qii s LYS 501 CO 0.67 -0.47 0.47 -0.59 -0.92 0.00 0.00 175.35 174.50 1qii s PHE 502 N -1.81 0.11 0.19 3.18 -0.12 -0.77 -4.36 117.98 114.40 1qii s PHE 502 Ca 0.66 -0.46 0.10 0.00 -0.05 0.00 0.00 56.93 57.18 1qii s PHE 502 Cb -0.21 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1qii s PHE 502 CO 0.25 -0.90 -0.21 0.96 -0.05 0.00 0.00 175.22 175.27 1qii s ILE 503 N -3.93 2.13 0.28 -4.49 -4.36 -0.92 0.03 121.20 109.93 1qii s ILE 503 Ca 0.14 -2.03 -0.13 0.00 -0.26 0.00 0.00 60.65 58.37 1qii s ILE 503 Cb -0.00 -2.02 -0.08 0.00 1.25 0.00 0.00 42.46 41.60 1qii s ILE 503 CO 0.01 -0.24 0.66 -1.81 0.24 0.00 0.00 174.94 173.79 1qii s ASP 504 N -2.78 6.73 -0.34 4.36 1.01 -1.08 -1.04 116.67 123.53 1qii s ASP 504 Ca 0.20 1.14 0.02 0.00 0.71 0.00 0.00 52.55 54.62 1qii s ASP 504 Cb -0.06 -2.32 0.10 0.00 1.01 0.00 0.00 42.92 41.65 1qii s ASP 504 CO 0.09 -0.14 0.09 -0.22 0.21 0.00 0.00 175.17 175.20 1qii s LEU 505 N -2.85 3.69 0.00 1.23 2.96 0.27 -4.62 118.68 119.35 1qii s LEU 505 Ca 0.51 -2.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.38 1qii s LEU 505 Cb -0.11 -1.31 0.00 0.00 0.50 0.00 0.00 46.19 45.27 1qii s LEU 505 CO 0.19 -0.38 0.00 -0.46 -1.32 0.00 0.00 176.35 174.38 1qii n ASN 506 N 4.37 0.00 -1.33 3.68 0.23 -1.26 -3.20 115.26 117.75 1qii n ASN 506 Ca 0.02 -0.23 0.04 0.00 -0.53 0.00 0.00 54.58 53.88 1qii n ASN 506 Cb 0.41 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.36 1qii n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1qii n THR 507 N 0.00 1.63 -4.21 5.53 -2.24 -1.26 -4.91 114.28 108.82 1qii n THR 507 Ca 0.00 -0.84 -0.23 0.00 -2.27 0.00 0.00 64.05 60.71 1qii n THR 507 Cb 0.00 -0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 1qii n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qii s GLU 508 N -2.04 2.41 -0.04 -0.78 2.02 -1.26 -5.05 118.70 113.95 1qii s GLU 508 Ca 0.33 -1.41 -0.36 0.00 0.02 0.00 0.00 54.97 53.56 1qii s GLU 508 Cb 0.25 -2.22 -0.14 0.00 0.10 0.00 0.00 34.13 32.12 1qii s GLU 508 CO 0.10 0.29 1.68 -2.30 0.02 0.00 0.00 175.26 175.06 1qii n PRO 509 N -1.01 1.75 -1.45 0.39 -0.02 -1.26 -4.80 135.00 128.60 1qii n PRO 509 Ca -0.06 0.64 -0.49 0.00 -2.02 0.00 0.00 63.50 61.58 1qii n PRO 509 Cb 0.59 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1qii n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1qii n MET 510 N 4.83 0.29 -4.30 -0.52 0.00 -1.26 -4.99 117.12 111.18 1qii n MET 510 Ca 0.21 0.10 -0.19 0.00 -0.00 0.00 0.00 57.70 57.82 1qii n MET 510 Cb 0.24 -1.25 -0.15 0.00 0.00 0.00 0.00 33.22 32.05 1qii n MET 510 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1qii s LYS 511 N -0.93 0.83 -0.01 2.12 1.02 -1.26 -5.06 119.74 116.44 1qii s LYS 511 Ca 0.67 -0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.36 1qii s LYS 511 Cb -0.93 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.54 1qii s LYS 511 CO 0.56 0.07 0.24 0.08 -0.92 0.00 0.00 175.35 175.39 1qii s VAL 512 N 0.30 5.34 0.03 3.17 1.01 -1.26 -2.64 120.40 126.34 1qii s VAL 512 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1qii s VAL 512 Cb -0.09 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1qii s VAL 512 CO 0.00 0.41 0.01 1.41 0.00 0.00 0.00 175.10 176.93 1qii n HIS 513 N 1.26 -0.00 -3.83 5.22 8.25 0.10 -4.96 115.22 121.26 1qii n HIS 513 Ca -0.13 -0.17 -0.11 0.00 -0.26 0.00 0.00 57.72 57.05 1qii n HIS 513 Cb 0.53 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.56 1qii n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1qii s GLN 514 N -2.10 0.65 -0.92 -0.41 -0.21 -1.26 -1.84 119.66 113.57 1qii s GLN 514 Ca 0.02 -0.51 -0.08 0.00 0.02 0.00 0.00 55.36 54.81 1qii s GLN 514 Cb 0.00 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.29 1qii s GLN 514 CO 0.01 -0.18 0.68 0.54 -2.12 0.00 0.00 175.29 174.22 1qii n ARG 515 N 0.93 -1.30 -1.49 2.91 1.74 -1.06 -4.78 116.66 113.62 1qii n ARG 515 Ca -0.20 0.81 -0.51 0.00 -0.77 0.00 0.00 57.85 57.18 1qii n ARG 515 Cb 0.58 -3.63 -0.07 0.00 -1.02 0.00 0.00 32.46 28.32 1qii n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1qii n LEU 516 N -3.02 2.28 -4.07 0.55 7.94 -1.26 -2.45 117.00 116.97 1qii n LEU 516 Ca -0.17 0.51 -0.29 0.00 -1.11 0.00 0.00 56.01 54.95 1qii n LEU 516 Cb 0.61 -1.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.25 1qii n LEU 516 CO 0.63 -0.65 -0.31 0.54 -1.11 0.00 0.00 177.39 176.49 1qii n ARG 517 N 7.84 -2.14 -0.05 1.96 1.74 -1.26 -4.89 116.66 119.87 1qii n ARG 517 Ca 0.38 0.28 -0.10 0.00 -0.77 0.00 0.00 57.85 57.64 1qii n ARG 517 Cb 0.23 -4.04 -0.03 0.00 -1.02 0.00 0.00 32.46 27.60 1qii n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1qii h VAL 518 N -1.88 1.03 -0.49 1.55 -1.51 -1.85 -1.39 116.25 111.71 1qii h VAL 518 Ca -0.65 -0.09 0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1qii h VAL 518 Cb 1.39 0.75 -0.10 0.00 -2.13 0.00 0.00 31.29 31.20 1qii h VAL 518 CO 0.64 0.05 -0.39 -0.61 -1.23 0.00 0.00 177.57 176.03 1qii h GLN 519 N 0.26 -0.24 -0.13 5.19 5.75 -1.91 0.12 115.11 124.15 1qii h GLN 519 Ca 0.08 0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.40 1qii h GLN 519 Cb -0.01 0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.59 1qii h GLN 519 CO -0.03 -0.16 -0.70 0.52 -2.65 0.00 0.00 178.83 175.81 1qii h MET 520 N -0.25 0.58 -0.55 1.69 2.86 -1.96 -3.02 114.93 114.28 1qii h MET 520 Ca 0.18 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1qii h MET 520 Cb 0.56 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1qii h MET 520 CO -0.62 1.06 0.27 0.00 1.06 0.00 0.00 176.91 178.68 1qii h VAL 522 N 0.77 1.31 -0.02 0.00 2.07 -0.73 -0.42 116.25 119.23 1qii h VAL 522 Ca 0.19 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 1qii h VAL 522 Cb 0.08 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1qii h VAL 522 CO -0.03 0.44 -0.03 0.15 0.02 0.00 0.00 177.57 178.13 1qii h PHE 523 N 0.09 0.08 0.00 1.57 3.57 -1.09 -0.71 116.94 120.44 1qii h PHE 523 Ca 0.01 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1qii h PHE 523 Cb 0.80 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 1qii h PHE 523 CO 0.01 0.55 -0.36 -1.49 -2.23 0.00 0.00 178.31 174.79 1qii h TRP 524 N -0.42 0.00 0.00 0.41 4.06 -0.97 -0.71 115.95 118.31 1qii h TRP 524 Ca 0.00 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.64 1qii h TRP 524 Cb 0.54 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.64 1qii h TRP 524 CO 0.10 0.36 -2.27 0.09 -3.56 0.00 0.00 178.44 173.16 1qii n ASN 525 N -3.30 0.33 -0.06 -3.49 3.02 -0.17 -4.48 115.26 107.11 1qii n ASN 525 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.44 1qii n ASN 525 Cb 0.60 1.05 -0.04 0.00 -0.61 0.00 0.00 39.78 40.77 1qii n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qii n GLN 526 N -2.66 0.33 0.15 3.52 6.02 -0.31 -4.71 117.38 119.73 1qii n GLN 526 Ca -0.29 0.14 -0.10 0.00 -0.01 0.00 0.00 57.00 56.75 1qii n GLN 526 Cb 1.07 -1.07 -0.06 0.00 1.02 0.00 0.00 30.24 31.20 1qii n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1qii h PHE 527 N -0.59 -0.42 -0.28 1.08 3.57 -1.44 -3.22 116.94 115.64 1qii h PHE 527 Ca -0.25 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.29 1qii h PHE 527 Cb 1.05 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 1qii h PHE 527 CO -0.14 -0.12 0.02 1.25 -2.23 0.00 0.00 178.31 177.09 1qii h LEU 528 N -1.02 -0.07 -0.42 0.59 5.85 -1.40 0.10 115.31 118.94 1qii h LEU 528 Ca -0.05 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1qii h LEU 528 Cb 0.48 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1qii h LEU 528 CO 0.08 -0.00 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.47 1qii h PRO 529 N 0.11 0.04 -0.37 5.25 0.11 -1.79 0.58 132.00 135.94 1qii h PRO 529 Ca 0.13 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1qii h PRO 529 Cb 0.17 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1qii h PRO 529 CO -0.21 0.03 0.17 -0.22 -0.21 0.00 0.00 178.00 177.56 1qii h LYS 530 N 0.05 0.34 0.16 1.05 3.64 -1.42 -1.30 116.57 119.08 1qii h LYS 530 Ca 0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1qii h LYS 530 Cb 0.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1qii h LYS 530 CO -0.39 0.22 -0.08 1.25 -2.27 0.00 0.00 179.45 178.19 1qii h LEU 531 N 0.35 -0.18 -2.38 5.20 6.46 -0.06 -0.88 115.31 123.83 1qii h LEU 531 Ca 0.16 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1qii h LEU 531 Cb 0.10 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1qii h LEU 531 CO -0.13 -0.10 0.01 -0.07 -0.62 0.00 0.00 178.44 177.53 1qii h LEU 532 N -0.24 0.00 0.19 2.25 3.38 -0.72 -1.55 115.31 118.62 1qii h LEU 532 Ca -0.02 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.62 1qii h LEU 532 Cb 0.19 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.95 1qii h LEU 532 CO 0.04 0.00 -1.54 -1.13 0.09 0.00 0.00 178.44 175.90 1qii h ASN 533 N 0.00 0.64 0.59 -0.43 -0.73 -0.63 -3.32 115.58 111.70 1qii h ASN 533 Ca 0.01 -0.78 -0.15 0.00 1.87 0.00 0.00 56.30 57.24 1qii h ASN 533 Cb 0.04 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 1qii h ASN 533 CO -0.00 1.64 -0.70 0.00 -0.37 0.00 0.00 177.43 178.00 1qii h ALA 534 N 0.27 0.80 -0.02 1.57 0.00 -0.87 -3.51 119.26 117.50 1qii h ALA 534 Ca -0.26 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1qii h ALA 534 Cb 2.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1qii h ALA 534 CO 0.22 0.84 0.00 0.25 0.00 0.00 0.00 179.25 180.55