#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqr h GLU 5 N 0.00 0.00 -0.01 -1.46 4.81 -2.04 -1.99 114.58 113.88 1gqr h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1gqr h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1gqr h GLU 5 CO 0.00 0.08 -0.11 1.28 -0.73 0.00 0.00 179.01 179.53 1gqr n LEU 6 N -3.75 1.44 -4.36 1.64 4.77 -1.26 -4.81 117.00 110.68 1gqr n LEU 6 Ca -0.02 -0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 55.16 1gqr n LEU 6 Cb 0.18 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1gqr n LEU 6 CO 0.29 0.25 -0.40 -0.22 -1.33 0.00 0.00 177.39 175.99 1gqr s LEU 7 N -2.19 2.91 -0.05 2.23 2.96 -0.75 -0.30 118.68 123.50 1gqr s LEU 7 Ca 0.32 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1gqr s LEU 7 Cb 0.20 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1gqr s LEU 7 CO 0.41 0.07 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.72 1gqr s VAL 8 N 0.95 0.88 -0.23 1.68 1.01 -0.48 -4.78 120.40 119.44 1gqr s VAL 8 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1gqr s VAL 8 Cb -0.15 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1gqr s VAL 8 CO 0.00 0.29 0.18 0.21 0.00 0.00 0.00 175.10 175.78 1gqr s ASN 9 N 0.53 6.16 0.44 3.32 2.47 -1.26 -0.15 114.94 126.44 1gqr s ASN 9 Ca -0.09 0.16 0.06 0.00 0.42 0.00 0.00 52.86 53.41 1gqr s ASN 9 Cb -0.13 -2.12 -0.05 0.00 -1.45 0.00 0.00 41.25 37.50 1gqr s ASN 9 CO 0.02 0.06 0.09 0.42 -3.72 0.00 0.00 177.10 173.97 1gqr s THR 10 N 1.01 1.93 -0.62 -5.21 -4.23 0.13 -4.88 115.64 103.77 1gqr s THR 10 Ca 0.09 -1.87 0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1gqr s THR 10 Cb -0.13 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.06 1gqr s THR 10 CO 0.04 0.00 1.47 0.29 -0.54 0.00 0.00 174.62 175.88 1gqr n LYS 11 N -1.16 0.09 -0.00 3.99 5.02 -1.26 -1.31 118.16 123.53 1gqr n LYS 11 Ca -0.06 0.48 0.09 0.00 -2.02 0.00 0.00 58.31 56.79 1gqr n LYS 11 Cb 0.66 -1.73 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 1gqr n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1gqr n SER 12 N -1.92 0.89 0.00 4.39 7.64 -1.26 -4.87 113.62 118.50 1gqr n SER 12 Ca 0.01 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.51 1gqr n SER 12 Cb 0.10 1.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 1gqr n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gqr n GLY 13 N 1.46 1.57 3.78 0.23 0.00 -0.42 -0.65 105.19 111.16 1gqr n GLY 13 Ca -0.01 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1gqr n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqr s LYS 14 N -1.51 4.55 0.03 1.61 1.02 -1.25 -0.69 119.74 123.50 1gqr s LYS 14 Ca 0.00 1.18 0.06 0.00 0.02 0.00 0.00 55.97 57.23 1gqr s LYS 14 Cb 0.00 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1gqr s LYS 14 CO 0.00 0.47 -0.18 0.14 -0.92 0.00 0.00 175.35 174.87 1gqr s VAL 15 N -1.32 1.41 -0.26 3.17 -7.23 0.79 -0.43 120.40 116.53 1gqr s VAL 15 Ca 0.41 -1.01 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 1gqr s VAL 15 Cb -0.21 -1.22 0.06 0.00 0.56 0.00 0.00 36.38 35.57 1gqr s VAL 15 CO 0.26 0.19 -0.10 -0.32 -0.31 0.00 0.00 175.10 174.81 1gqr s MET 16 N -0.95 2.20 0.00 4.82 1.75 0.79 -1.38 119.30 126.55 1gqr s MET 16 Ca 0.05 -1.35 0.00 0.00 -1.25 0.00 0.00 55.69 53.14 1gqr s MET 16 Cb -0.08 -2.89 0.00 0.00 2.84 0.00 0.00 34.83 34.70 1gqr s MET 16 CO 0.01 -0.58 0.00 0.41 -0.65 0.00 0.00 175.02 174.21 1gqr n GLY 17 N 4.43 0.77 3.34 2.11 0.00 0.60 -0.09 105.19 116.35 1gqr n GLY 17 Ca -0.14 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.18 1gqr n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gqr s THR 18 N 0.33 0.02 -0.38 2.61 -1.32 -0.09 -4.57 115.64 112.24 1gqr s THR 18 Ca 0.00 -0.15 -0.29 0.00 -1.21 0.00 0.00 61.69 60.04 1gqr s THR 18 Cb 0.00 -0.68 0.02 0.00 -1.51 0.00 0.00 72.50 70.33 1gqr s THR 18 CO 0.00 -0.08 1.16 -0.60 -2.21 0.00 0.00 174.62 172.88 1gqr s ARG 19 N -0.46 3.89 -0.17 7.08 3.52 -1.26 -0.85 118.95 130.70 1gqr s ARG 19 Ca -0.06 0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 56.41 1gqr s ARG 19 Cb -0.03 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1gqr s ARG 19 CO 0.03 -1.15 -0.01 0.08 -0.81 0.00 0.00 175.30 173.43 1gqr s VAL 20 N 4.18 4.06 0.29 7.11 1.01 0.12 -4.92 120.40 132.25 1gqr s VAL 20 Ca 0.49 -0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1gqr s VAL 20 Cb -0.11 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.38 1gqr s VAL 20 CO 0.24 0.48 1.06 -2.16 0.00 0.00 0.00 175.10 174.72 1gqr s PRO 21 N 0.44 4.63 -0.21 2.72 0.04 -1.26 -0.31 135.00 141.04 1gqr s PRO 21 Ca -0.02 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1gqr s PRO 21 Cb -0.14 -3.12 0.10 0.00 0.04 0.00 0.00 34.50 31.38 1gqr s PRO 21 CO 0.02 0.23 0.40 0.54 0.04 0.00 0.00 177.00 178.24 1gqr s VAL 22 N -1.23 -0.64 -1.15 -0.36 0.11 -0.37 -4.91 120.40 111.86 1gqr s VAL 22 Ca 0.45 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 59.33 1gqr s VAL 22 Cb -0.30 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 1gqr s VAL 22 CO 0.38 0.01 0.72 0.18 -3.33 0.00 0.00 175.10 173.06 1gqr n LEU 23 N 5.38 -1.35 0.00 2.54 4.77 -1.26 -1.39 117.00 125.69 1gqr n LEU 23 Ca -0.07 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1gqr n LEU 23 Cb 0.50 -1.91 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 1gqr n LEU 23 CO 0.02 0.64 0.00 -1.54 -1.33 0.00 0.00 177.39 175.17 1gqr n SER 24 N -2.35 -2.78 0.00 -1.43 3.41 -1.26 -4.95 113.62 104.26 1gqr n SER 24 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1gqr n SER 24 Cb 0.58 -1.74 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1gqr n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gqr n SER 25 N -0.31 0.76 -3.74 4.04 2.88 -0.49 -5.18 113.62 111.59 1gqr n SER 25 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1gqr n SER 25 Cb 0.16 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 1gqr n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1gqr s HIS 26 N 0.20 -0.06 0.24 0.66 3.76 -1.26 -1.23 115.29 117.59 1gqr s HIS 26 Ca 0.00 -0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 54.60 1gqr s HIS 26 Cb 0.00 0.11 -0.02 0.00 1.11 0.00 0.00 32.58 33.78 1gqr s HIS 26 CO 0.00 -0.59 0.36 0.96 -0.85 0.00 0.00 174.74 174.63 1gqr s ILE 27 N -3.39 0.00 0.13 0.60 -4.36 0.58 -4.38 121.20 110.38 1gqr s ILE 27 Ca 0.01 -1.62 -0.08 0.00 -0.26 0.00 0.00 60.65 58.70 1gqr s ILE 27 Cb 0.02 -2.32 -0.06 0.00 1.25 0.00 0.00 42.46 41.35 1gqr s ILE 27 CO -0.09 0.00 0.43 -0.44 0.24 0.00 0.00 174.94 175.08 1gqr s SER 28 N -3.08 6.59 -0.07 4.36 0.01 -0.33 0.13 113.70 121.32 1gqr s SER 28 Ca 0.28 0.75 -0.02 0.00 1.31 0.00 0.00 55.95 58.27 1gqr s SER 28 Cb 0.02 -2.16 0.03 0.00 0.21 0.00 0.00 66.02 64.12 1gqr s SER 28 CO 0.11 0.08 0.05 0.00 0.41 0.00 0.00 173.24 173.88 1gqr s ALA 29 N -1.58 0.38 -0.64 1.44 0.00 -0.03 -1.10 121.76 120.24 1gqr s ALA 29 Ca 0.39 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 1gqr s ALA 29 Cb -0.13 -0.71 0.17 0.00 0.00 0.00 0.00 23.12 22.45 1gqr s ALA 29 CO 0.21 -0.57 0.50 -0.06 0.00 0.00 0.00 175.76 175.83 1gqr s PHE 30 N 2.11 3.51 -0.03 0.00 0.40 0.50 -0.91 117.98 123.56 1gqr s PHE 30 Ca 0.05 -2.36 -0.11 0.00 -0.60 0.00 0.00 56.93 53.91 1gqr s PHE 30 Cb -0.13 -3.42 -0.05 0.00 0.51 0.00 0.00 43.02 39.94 1gqr s PHE 30 CO -0.04 -0.91 0.30 -0.51 0.70 0.00 0.00 175.22 174.75 1gqr s LEU 31 N 0.31 4.42 -0.63 -0.37 1.43 0.63 -0.39 118.68 124.09 1gqr s LEU 31 Ca 0.15 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.94 1gqr s LEU 31 Cb -0.19 -2.47 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1gqr s LEU 31 CO -0.04 0.33 0.45 0.61 0.23 0.00 0.00 176.35 177.92 1gqr n GLY 32 N 1.68 0.25 3.67 -3.19 0.00 -1.08 -3.85 105.19 102.66 1gqr n GLY 32 Ca -0.15 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1gqr n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqr s ILE 33 N -3.04 4.83 0.19 -0.61 1.01 0.41 -4.77 121.20 119.22 1gqr s ILE 33 Ca 0.22 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.30 1gqr s ILE 33 Cb -0.10 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 1gqr s ILE 33 CO 0.28 -0.02 1.26 -2.16 0.00 0.00 0.00 174.94 174.30 1gqr s PRO 34 N 2.40 4.43 0.00 2.79 0.04 -1.26 -0.40 135.00 142.99 1gqr s PRO 34 Ca 0.40 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1gqr s PRO 34 Cb -0.16 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1gqr s PRO 34 CO 0.11 -0.19 0.47 1.97 0.04 0.00 0.00 177.00 179.40 1gqr n PHE 35 N 2.60 0.00 -3.65 0.56 1.16 -1.10 -4.87 117.46 112.17 1gqr n PHE 35 Ca 0.05 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.53 1gqr n PHE 35 Cb 0.44 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.27 1gqr n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1gqr s ALA 36 N -0.07 -1.04 0.29 1.98 0.00 -1.25 -3.41 121.76 118.26 1gqr s ALA 36 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1gqr s ALA 36 Cb 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 23.12 23.83 1gqr s ALA 36 CO 0.00 -0.74 1.11 -1.21 0.00 0.00 0.00 175.76 174.92 1gqr s GLU 37 N -3.83 4.58 -0.22 0.00 0.41 0.27 -4.42 118.70 115.49 1gqr s GLU 37 Ca 0.06 1.81 -0.37 0.00 -0.41 0.00 0.00 54.97 56.06 1gqr s GLU 37 Cb 0.00 -3.13 -0.13 0.00 -1.78 0.00 0.00 34.13 29.09 1gqr s GLU 37 CO -0.08 0.16 1.87 -2.30 -0.49 0.00 0.00 175.26 174.42 1gqr n PRO 38 N 1.06 1.55 -0.38 0.39 -0.02 -1.26 -4.65 135.00 131.69 1gqr n PRO 38 Ca -0.01 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 62.02 1gqr n PRO 38 Cb 0.45 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 1gqr n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gqr n PRO 39 N 6.34 0.77 -3.12 0.52 -0.04 -1.26 -4.87 135.00 133.34 1gqr n PRO 39 Ca 0.27 -0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 1gqr n PRO 39 Cb 0.21 -1.23 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1gqr n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gqr s VAL 40 N 0.73 4.01 0.00 0.52 -7.23 -1.26 -2.66 120.40 114.51 1gqr s VAL 40 Ca 0.05 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.58 1gqr s VAL 40 Cb 0.02 -3.46 0.00 0.00 0.56 0.00 0.00 36.38 33.51 1gqr s VAL 40 CO 0.00 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.12 1gqr n GLY 41 N -1.96 2.36 0.03 2.32 0.00 -1.26 -2.15 105.19 104.53 1gqr n GLY 41 Ca 0.01 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.72 1gqr n GLY 41 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gqr n ASN 42 N 4.82 0.12 0.08 1.61 0.23 -1.26 -1.70 115.26 119.16 1gqr n ASN 42 Ca 0.00 0.54 0.13 0.00 -0.53 0.00 0.00 54.58 54.72 1gqr n ASN 42 Cb 0.00 -0.56 0.40 0.00 -2.08 0.00 0.00 39.78 37.54 1gqr n ASN 42 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1gqr n MET 43 N -1.64 0.21 -1.71 -3.83 0.00 -0.92 -4.76 117.12 104.47 1gqr n MET 43 Ca 0.02 0.15 -0.42 0.00 0.00 0.00 0.00 57.70 57.45 1gqr n MET 43 Cb 0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 33.22 31.60 1gqr n MET 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1gqr n ARG 44 N -2.08 2.77 0.00 0.03 0.63 -0.69 -1.40 116.66 115.92 1gqr n ARG 44 Ca 0.05 1.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.98 1gqr n ARG 44 Cb 0.41 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.47 1gqr n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1gqr n PHE 45 N 4.30 0.00 -2.02 -0.14 3.72 -1.26 -4.90 117.46 117.17 1gqr n PHE 45 Ca 0.16 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.27 1gqr n PHE 45 Cb 0.35 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.92 1gqr n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1gqr s ARG 46 N -0.22 3.22 0.58 -1.08 0.52 -0.50 -4.19 118.95 117.30 1gqr s ARG 46 Ca 0.00 0.49 -0.20 0.00 -0.52 0.00 0.00 55.73 55.50 1gqr s ARG 46 Cb 0.00 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1gqr s ARG 46 CO 0.00 -0.73 1.26 1.03 0.02 0.00 0.00 175.30 176.88 1gqr s ARG 47 N -5.18 3.00 0.28 3.54 0.52 -1.26 -4.91 118.95 114.93 1gqr s ARG 47 Ca 0.55 1.98 -0.29 0.00 -0.52 0.00 0.00 55.73 57.45 1gqr s ARG 47 Cb -0.11 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.22 1gqr s ARG 47 CO 0.51 -1.22 1.23 -1.25 0.02 0.00 0.00 175.30 174.59 1gqr s PRO 48 N -3.17 4.47 -0.03 3.54 0.04 -1.26 -5.04 135.00 133.55 1gqr s PRO 48 Ca 0.76 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.79 1gqr s PRO 48 Cb -0.34 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1gqr s PRO 48 CO 0.38 -0.06 0.14 -1.21 0.04 0.00 0.00 177.00 176.29 1gqr s GLU 49 N -1.25 3.30 0.62 4.56 0.41 -1.26 -5.00 118.70 120.07 1gqr s GLU 49 Ca 0.49 -0.35 -0.19 0.00 -0.41 0.00 0.00 54.97 54.51 1gqr s GLU 49 Cb -0.36 -3.02 -0.02 0.00 -1.78 0.00 0.00 34.13 28.95 1gqr s GLU 49 CO 0.45 0.68 1.31 -2.14 -0.49 0.00 0.00 175.26 175.07 1gqr s PRO 50 N -1.69 2.73 -0.22 0.39 0.02 -1.26 -0.56 135.00 134.40 1gqr s PRO 50 Ca 0.23 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 1gqr s PRO 50 Cb -0.12 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1gqr s PRO 50 CO 0.14 -1.47 1.48 0.21 -0.33 0.00 0.00 177.00 177.03 1gqr s LYS 51 N -3.25 3.91 0.13 5.54 2.47 -1.22 -3.86 119.74 123.47 1gqr s LYS 51 Ca 0.79 1.58 -0.33 0.00 -1.56 0.00 0.00 55.97 56.45 1gqr s LYS 51 Cb -0.38 -3.95 -0.13 0.00 -1.46 0.00 0.00 37.83 31.91 1gqr s LYS 51 CO 0.42 -1.14 1.69 1.63 0.16 0.00 0.00 175.35 178.10 1gqr n LYS 52 N 7.39 2.39 -1.60 4.03 5.02 -1.26 -4.90 118.16 129.23 1gqr n LYS 52 Ca 0.17 0.86 -0.39 0.00 -2.02 0.00 0.00 58.31 56.93 1gqr n LYS 52 Cb 0.45 -2.68 0.03 0.00 -0.02 0.00 0.00 35.03 32.82 1gqr n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1gqr n PRO 53 N 4.30 1.09 -4.26 1.97 -0.04 -1.26 -5.00 135.00 131.80 1gqr n PRO 53 Ca 0.18 0.40 -0.28 0.00 -0.04 0.00 0.00 63.50 63.77 1gqr n PRO 53 Cb 0.31 -2.08 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 1gqr n PRO 53 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1gqr s TRP 54 N -1.43 2.69 0.19 0.54 -2.14 0.18 -5.01 118.94 113.97 1gqr s TRP 54 Ca 0.69 -0.19 -0.09 0.00 2.66 0.00 0.00 56.10 59.17 1gqr s TRP 54 Cb -0.48 -1.34 -0.07 0.00 -3.10 0.00 0.00 33.47 28.48 1gqr s TRP 54 CO 0.52 0.49 0.51 -1.12 -2.66 0.00 0.00 176.95 174.69 1gqr s SER 55 N -2.67 6.63 0.00 -2.66 0.01 -1.26 -4.52 113.70 109.23 1gqr s SER 55 Ca 0.24 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.37 1gqr s SER 55 Cb -0.10 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1gqr s SER 55 CO 0.15 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.40 1gqr n GLY 56 N 0.08 -2.25 3.73 3.44 0.00 -1.26 -4.90 105.19 104.03 1gqr n GLY 56 Ca -0.01 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 1gqr n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqr s VAL 57 N -0.34 5.40 -0.08 1.61 1.01 -1.26 -3.88 120.40 122.86 1gqr s VAL 57 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 1gqr s VAL 57 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1gqr s VAL 57 CO 0.00 0.44 0.73 0.86 0.00 0.00 0.00 175.10 177.13 1gqr s TRP 58 N 0.35 3.56 -0.67 5.22 -0.11 0.43 -4.92 118.94 122.81 1gqr s TRP 58 Ca 0.09 1.27 -0.28 0.00 1.22 0.00 0.00 56.10 58.40 1gqr s TRP 58 Cb -0.11 -2.85 0.03 0.00 -1.50 0.00 0.00 33.47 29.04 1gqr s TRP 58 CO -0.01 0.03 1.25 1.21 -4.62 0.00 0.00 176.95 174.81 1gqr s ASN 59 N 0.87 6.28 -0.68 5.86 2.47 -1.26 -0.15 114.94 128.33 1gqr s ASN 59 Ca 0.38 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.47 1gqr s ASN 59 Cb -0.18 -2.56 0.39 0.00 -1.45 0.00 0.00 41.25 37.46 1gqr s ASN 59 CO 0.18 -1.69 1.76 0.00 -3.72 0.00 0.00 177.10 173.63 1gqr n ALA 60 N 8.99 6.05 0.62 1.71 0.00 0.87 -4.61 120.51 134.14 1gqr n ALA 60 Ca 0.06 -4.01 0.09 0.00 0.00 0.00 0.00 53.44 49.57 1gqr n ALA 60 Cb 0.49 -1.49 -0.11 0.00 0.00 0.00 0.00 19.45 18.33 1gqr n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gqr n SER 61 N -0.61 0.83 -4.10 0.00 3.41 -1.23 -0.27 113.62 111.65 1gqr n SER 61 Ca 0.52 -0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1gqr n SER 61 Cb 0.47 1.23 -0.11 0.00 -0.26 0.00 0.00 64.21 65.54 1gqr n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gqr s THR 62 N -2.85 0.65 0.53 6.66 -4.23 -1.26 -4.84 115.64 110.30 1gqr s THR 62 Ca 0.03 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 59.07 1gqr s THR 62 Cb 0.13 -0.85 -0.06 0.00 1.34 0.00 0.00 72.50 73.06 1gqr s THR 62 CO 0.75 -0.44 1.26 -1.22 -0.54 0.00 0.00 174.62 174.42 1gqr n TYR 63 N 1.19 1.95 -2.12 3.99 4.01 -1.26 -3.73 117.16 121.20 1gqr n TYR 63 Ca -0.21 0.45 -0.28 0.00 -0.16 0.00 0.00 57.90 57.70 1gqr n TYR 63 Cb 0.56 -2.32 0.15 0.00 -0.31 0.00 0.00 39.34 37.42 1gqr n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1gqr s PRO 64 N -2.72 1.08 0.73 -0.72 0.04 -1.26 -4.88 135.00 127.27 1gqr s PRO 64 Ca 0.70 -0.55 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 1gqr s PRO 64 Cb -0.44 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1gqr s PRO 64 CO 0.50 -2.04 1.08 -0.80 0.04 0.00 0.00 177.00 175.78 1gqr s ASN 65 N -4.81 4.88 0.21 6.66 0.02 -1.26 -4.81 114.94 115.83 1gqr s ASN 65 Ca 0.70 1.78 -0.01 0.00 -1.02 0.00 0.00 52.86 54.32 1gqr s ASN 65 Cb -0.05 -2.52 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 1gqr s ASN 65 CO 0.50 -1.78 0.40 0.20 0.02 0.00 0.00 177.10 176.44 1gqr s ASN 66 N -3.41 6.38 0.57 -1.22 0.02 -0.30 -4.75 114.94 112.23 1gqr s ASN 66 Ca 0.61 0.40 -0.18 0.00 -1.02 0.00 0.00 52.86 52.66 1gqr s ASN 66 Cb -0.16 -2.01 -0.05 0.00 0.02 0.00 0.00 41.25 39.05 1gqr s ASN 66 CO 0.53 -0.06 1.12 0.00 0.02 0.00 0.00 177.10 178.71 1gqr n GLN 68 N -1.55 2.54 -3.62 0.00 1.13 -1.21 -4.56 117.38 110.12 1gqr n GLN 68 Ca 0.11 0.93 -0.10 0.00 -1.94 0.00 0.00 57.00 56.00 1gqr n GLN 68 Cb 0.51 -2.79 -0.03 0.00 0.11 0.00 0.00 30.24 28.05 1gqr n GLN 68 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1gqr s GLN 69 N 2.69 1.40 0.17 -1.09 -2.07 -1.26 -4.67 119.66 114.82 1gqr s GLN 69 Ca 0.84 -0.71 -0.31 0.00 -1.82 0.00 0.00 55.36 53.36 1gqr s GLN 69 Cb -0.56 0.56 -0.09 0.00 -1.09 0.00 0.00 33.01 31.83 1gqr s GLN 69 CO 0.40 -0.61 1.40 -0.47 -1.32 0.00 0.00 175.29 174.70 1gqr s TYR 70 N -3.82 3.18 -0.19 9.60 5.04 -1.25 -4.99 117.35 124.92 1gqr s TYR 70 Ca 0.06 1.00 -0.05 0.00 -2.44 0.00 0.00 57.07 55.63 1gqr s TYR 70 Cb -0.02 -3.72 -0.03 0.00 0.35 0.00 0.00 41.96 38.55 1gqr s TYR 70 CO -0.06 -2.44 0.00 0.08 -1.34 0.00 0.00 175.55 171.79 1gqr s VAL 71 N 0.63 4.08 -0.05 3.14 1.01 -1.26 -4.84 120.40 123.11 1gqr s VAL 71 Ca 0.62 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 1gqr s VAL 71 Cb -0.39 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1gqr s VAL 71 CO 0.35 0.45 1.50 -0.62 0.00 0.00 0.00 175.10 176.77 1gqr s ASP 72 N 0.75 6.78 -0.09 3.32 2.15 -1.26 -4.88 116.67 123.44 1gqr s ASP 72 Ca 0.00 2.10 0.13 0.00 0.43 0.00 0.00 52.55 55.21 1gqr s ASP 72 Cb -0.14 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.14 1gqr s ASP 72 CO 0.02 -0.83 1.10 -0.62 -0.17 0.00 0.00 175.17 174.68 1gqr n GLU 73 N 6.39 0.87 -0.29 4.34 1.02 -1.26 -4.81 120.64 126.90 1gqr n GLU 73 Ca 0.15 -2.09 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1gqr n GLU 73 Cb 0.43 -1.18 0.19 0.00 -0.02 0.00 0.00 31.44 30.87 1gqr n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1gqr h GLN 74 N 0.02 1.12 -2.25 3.49 1.08 -2.00 -3.31 115.11 113.25 1gqr h GLN 74 Ca -0.00 -0.07 -0.59 0.00 -1.45 0.00 0.00 58.65 56.55 1gqr h GLN 74 Cb 1.13 -0.25 -0.40 0.00 -0.05 0.00 0.00 27.48 27.91 1gqr h GLN 74 CO 0.00 0.74 -0.85 1.19 -0.95 0.00 0.00 178.83 178.96 1gqr n PHE 75 N -4.41 1.31 -1.63 2.96 3.72 -1.26 -5.10 117.46 113.05 1gqr n PHE 75 Ca 0.10 -3.81 -0.52 0.00 -0.05 0.00 0.00 57.45 53.17 1gqr n PHE 75 Cb 0.05 -0.36 -0.06 0.00 -0.94 0.00 0.00 39.48 38.17 1gqr n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1gqr n PRO 76 N 1.51 1.38 -0.01 -1.08 -0.02 -1.25 -0.56 135.00 134.98 1gqr n PRO 76 Ca 0.25 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1gqr n PRO 76 Cb 0.46 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1gqr n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqr n GLY 77 N 3.11 2.16 3.66 -1.23 0.00 -1.26 -5.01 105.19 106.62 1gqr n GLY 77 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1gqr n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gqr s PHE 78 N -2.73 3.34 0.22 1.61 5.36 0.28 -4.94 117.98 121.12 1gqr s PHE 78 Ca 0.00 1.41 -0.08 0.00 -0.96 0.00 0.00 56.93 57.30 1gqr s PHE 78 Cb 0.00 -3.22 0.18 0.00 -0.34 0.00 0.00 43.02 39.64 1gqr s PHE 78 CO 0.00 -0.46 1.82 0.66 -1.46 0.00 0.00 175.22 175.79 1gqr h SER 79 N 7.49 1.08 -0.84 6.13 4.64 -1.95 -1.00 113.55 129.10 1gqr h SER 79 Ca -0.20 -0.12 0.22 0.00 -0.47 0.00 0.00 61.79 61.22 1gqr h SER 79 Cb 1.07 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 1gqr h SER 79 CO 0.96 0.89 0.59 1.23 -0.87 0.00 0.00 176.83 179.63 1gqr h GLY 80 N 1.18 0.28 0.00 -0.77 0.00 -1.93 0.33 103.07 102.16 1gqr h GLY 80 Ca 0.29 -0.06 -0.36 0.00 0.00 0.00 0.00 47.33 47.20 1gqr h GLY 80 CO -0.04 -0.00 -2.37 -1.14 0.00 0.00 0.00 176.54 172.98 1gqr n SER 81 N -4.36 1.91 0.16 0.19 3.41 -1.08 -4.48 113.62 109.37 1gqr n SER 81 Ca 0.17 -0.12 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 1gqr n SER 81 Cb 0.82 -0.23 0.49 0.00 -0.26 0.00 0.00 64.21 65.02 1gqr n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gqr h GLU 82 N 0.00 0.00 0.00 4.33 5.08 -0.91 -2.78 114.58 120.30 1gqr h GLU 82 Ca -0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1gqr h GLU 82 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1gqr h GLU 82 CO -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.94 1gqr n MET 83 N -2.50 0.04 -0.00 2.33 0.00 0.08 -1.89 117.12 115.18 1gqr n MET 83 Ca 0.03 0.30 0.08 0.00 0.00 0.00 0.00 57.70 58.11 1gqr n MET 83 Cb 0.32 -1.57 -0.11 0.00 0.00 0.00 0.00 33.22 31.85 1gqr n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1gqr n TRP 84 N -1.64 0.00 -1.74 3.17 7.02 -1.05 -4.70 117.44 118.50 1gqr n TRP 84 Ca 0.03 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.19 1gqr n TRP 84 Cb 0.17 -0.22 0.04 0.00 -2.42 0.00 0.00 31.31 28.88 1gqr n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1gqr s ASN 85 N -3.32 5.46 0.32 -0.99 0.01 -0.79 -4.72 114.94 110.90 1gqr s ASN 85 Ca -0.01 1.73 -0.29 0.00 -0.71 0.00 0.00 52.86 53.58 1gqr s ASN 85 Cb 0.11 -2.51 -0.12 0.00 0.41 0.00 0.00 41.25 39.14 1gqr s ASN 85 CO 0.69 -1.39 1.39 -2.65 -1.51 0.00 0.00 177.10 173.62 1gqr n PRO 86 N -2.69 2.27 -0.17 -0.60 -0.02 -1.26 -4.90 135.00 127.63 1gqr n PRO 86 Ca 0.08 0.80 0.07 0.00 -2.02 0.00 0.00 63.50 62.43 1gqr n PRO 86 Cb 0.53 -2.45 0.14 0.00 -0.02 0.00 0.00 33.50 31.71 1gqr n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1gqr n ASN 87 N 1.25 2.76 -4.18 2.55 6.94 -1.26 -5.00 115.26 118.32 1gqr n ASN 87 Ca 0.06 -2.69 -0.11 0.00 -0.02 0.00 0.00 54.58 51.83 1gqr n ASN 87 Cb 0.35 -0.34 -0.10 0.00 -2.36 0.00 0.00 39.78 37.33 1gqr n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1gqr s ARG 88 N -2.20 1.04 0.32 -3.83 1.81 -1.26 -5.09 118.95 109.74 1gqr s ARG 88 Ca 0.27 -1.51 -0.29 0.00 -1.72 0.00 0.00 55.73 52.47 1gqr s ARG 88 Cb 0.21 0.21 -0.11 0.00 -0.45 0.00 0.00 34.95 34.81 1gqr s ARG 88 CO 0.06 -0.29 1.48 -1.21 -0.68 0.00 0.00 175.30 174.66 1gqr s GLU 89 N -4.08 4.17 0.37 3.54 8.01 -1.26 -4.47 118.70 124.99 1gqr s GLU 89 Ca 0.29 2.48 -0.20 0.00 0.01 0.00 0.00 54.97 57.55 1gqr s GLU 89 Cb 0.07 -3.02 -0.10 0.00 -4.31 0.00 0.00 34.13 26.77 1gqr s GLU 89 CO 0.05 -0.49 0.87 -1.64 0.01 0.00 0.00 175.26 174.06 1gqr s MET 90 N -1.31 4.20 -0.14 1.61 -1.94 -1.26 -1.15 119.30 119.32 1gqr s MET 90 Ca 0.56 0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 55.23 1gqr s MET 90 Cb -0.45 -2.37 0.10 0.00 2.01 0.00 0.00 34.83 34.12 1gqr s MET 90 CO 0.54 0.09 0.86 0.45 -0.01 0.00 0.00 175.02 176.95 1gqr s SER 91 N -2.12 -0.51 0.53 3.03 0.15 0.10 -4.85 113.70 110.04 1gqr s SER 91 Ca 0.57 0.63 0.32 0.00 0.70 0.00 0.00 55.95 58.17 1gqr s SER 91 Cb -0.11 0.52 1.30 0.00 -1.71 0.00 0.00 66.02 66.02 1gqr s SER 91 CO 0.16 -0.42 1.97 -0.33 1.20 0.00 0.00 173.24 175.81 1gqr h GLU 92 N 3.04 0.00 -5.08 5.44 5.08 -1.94 -3.20 114.58 117.91 1gqr h GLU 92 Ca -0.23 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.44 1gqr h GLU 92 Cb 1.15 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.23 1gqr h GLU 92 CO 0.31 0.05 0.93 0.34 -1.00 0.00 0.00 179.01 179.64 1gqr s ASP 93 N -5.81 6.66 0.00 1.42 -1.08 -1.26 -4.15 116.67 112.44 1gqr s ASP 93 Ca 0.01 -2.09 0.00 0.00 -0.52 0.00 0.00 52.55 49.94 1gqr s ASP 93 Cb 0.10 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 1gqr s ASP 93 CO 0.56 -1.06 0.56 0.00 0.52 0.00 0.00 175.17 175.75 1gqr s LEU 95 N 0.00 4.67 0.19 0.00 1.43 -1.26 -4.72 118.68 118.98 1gqr s LEU 95 Ca 0.00 -2.65 0.03 0.00 -1.03 0.00 0.00 54.13 50.48 1gqr s LEU 95 Cb 0.00 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1gqr s LEU 95 CO 0.00 -0.94 -0.01 -0.31 0.23 0.00 0.00 176.35 175.33 1gqr s TYR 96 N 2.57 1.35 0.08 0.29 1.51 -1.26 -2.69 117.35 119.19 1gqr s TYR 96 Ca 0.44 -0.97 0.03 0.00 -1.01 0.00 0.00 57.07 55.56 1gqr s TYR 96 Cb -0.01 -0.77 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1gqr s TYR 96 CO 0.00 -0.13 -0.08 -0.48 -1.11 0.00 0.00 175.55 173.75 1gqr s LEU 97 N -3.22 2.40 0.01 -1.29 0.05 0.46 -3.13 118.68 113.97 1gqr s LEU 97 Ca 0.25 -0.81 0.08 0.00 0.05 0.00 0.00 54.13 53.71 1gqr s LEU 97 Cb 0.06 -0.19 -0.02 0.00 -2.05 0.00 0.00 46.19 43.99 1gqr s LEU 97 CO 0.06 -0.32 -0.25 0.20 -0.55 0.00 0.00 176.35 175.49 1gqr s ASN 98 N -2.42 2.94 -0.05 1.48 0.01 -0.39 -0.45 114.94 116.07 1gqr s ASN 98 Ca 0.03 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.69 1gqr s ASN 98 Cb -0.02 -0.29 0.02 0.00 0.41 0.00 0.00 41.25 41.36 1gqr s ASN 98 CO -0.02 0.27 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.14 1gqr s ILE 99 N -0.69 0.78 -0.26 0.60 1.01 0.48 -1.24 121.20 121.88 1gqr s ILE 99 Ca 0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1gqr s ILE 99 Cb -0.10 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 1gqr s ILE 99 CO 0.01 0.28 0.04 0.26 0.00 0.00 0.00 174.94 175.52 1gqr s TRP 100 N 0.78 3.08 -0.15 3.97 0.51 0.32 -0.37 118.94 127.07 1gqr s TRP 100 Ca -0.13 -0.78 0.00 0.00 -2.12 0.00 0.00 56.10 53.08 1gqr s TRP 100 Cb -0.15 -2.21 -0.00 0.00 -0.81 0.00 0.00 33.47 30.30 1gqr s TRP 100 CO 0.02 -0.49 -0.14 0.08 -0.51 0.00 0.00 176.95 175.90 1gqr s VAL 101 N 1.53 2.75 0.64 4.03 1.01 -0.26 -1.96 120.40 128.15 1gqr s VAL 101 Ca 0.05 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 1gqr s VAL 101 Cb -0.16 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 1gqr s VAL 101 CO 0.01 0.51 0.95 -2.65 0.00 0.00 0.00 175.10 173.93 1gqr n PRO 102 N 4.02 0.76 -4.50 2.72 -0.02 -1.26 -1.19 135.00 135.52 1gqr n PRO 102 Ca -0.19 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 1gqr n PRO 102 Cb 0.52 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 1gqr n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1gqr s SER 103 N -1.38 3.14 0.64 2.55 0.15 -1.26 -2.68 113.70 114.85 1gqr s SER 103 Ca 0.76 -0.61 -0.18 0.00 0.70 0.00 0.00 55.95 56.61 1gqr s SER 103 Cb -0.39 -1.46 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 1gqr s SER 103 CO 0.48 0.06 1.25 -2.84 1.20 0.00 0.00 173.24 173.38 1gqr s PRO 104 N 0.96 2.66 -0.03 5.44 0.02 -1.26 -4.96 135.00 137.83 1gqr s PRO 104 Ca -0.03 1.93 -0.35 0.00 0.02 0.00 0.00 61.00 62.57 1gqr s PRO 104 Cb -0.15 -1.88 -0.13 0.00 0.02 0.00 0.00 34.50 32.37 1gqr s PRO 104 CO -0.05 -1.48 1.77 -2.13 -0.33 0.00 0.00 177.00 174.78 1gqr n ARG 105 N -1.90 2.06 -0.81 5.54 0.63 -1.09 -4.93 116.66 116.15 1gqr n ARG 105 Ca 0.15 0.75 -0.28 0.00 -0.92 0.00 0.00 57.85 57.54 1gqr n ARG 105 Cb 0.49 -2.56 0.23 0.00 0.45 0.00 0.00 32.46 31.07 1gqr n ARG 105 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1gqr s PRO 106 N 3.02 -0.59 -0.23 -0.14 0.04 -1.26 -4.97 135.00 130.87 1gqr s PRO 106 Ca 0.89 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 1gqr s PRO 106 Cb -0.72 -1.61 -0.18 0.00 0.04 0.00 0.00 34.50 32.02 1gqr s PRO 106 CO 0.49 -3.44 -0.09 1.63 0.04 0.00 0.00 177.00 175.62 1gqr n LYS 107 N -4.68 0.65 -2.73 4.56 4.76 -1.25 -3.94 118.16 115.52 1gqr n LYS 107 Ca 0.04 0.24 -0.06 0.00 -2.87 0.00 0.00 58.31 55.66 1gqr n LYS 107 Cb 0.56 -1.58 0.04 0.00 -1.84 0.00 0.00 35.03 32.22 1gqr n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1gqr n SER 108 N -3.65 -2.68 -4.84 4.39 2.88 -0.92 -4.46 113.62 104.34 1gqr n SER 108 Ca -0.44 -2.82 -0.21 0.00 -1.33 0.00 0.00 58.87 54.07 1gqr n SER 108 Cb 0.95 1.57 -0.04 0.00 -0.75 0.00 0.00 64.21 65.94 1gqr n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1gqr s THR 109 N 0.66 3.96 0.26 2.46 -1.32 -0.11 -4.53 115.64 117.02 1gqr s THR 109 Ca 0.30 -1.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.11 1gqr s THR 109 Cb 0.17 -3.29 -0.14 0.00 -1.51 0.00 0.00 72.50 67.73 1gqr s THR 109 CO -0.17 -0.25 1.15 0.41 -2.21 0.00 0.00 174.62 173.54 1gqr n THR 110 N -1.30 1.54 -4.89 5.08 -1.04 -1.26 -0.60 114.28 111.81 1gqr n THR 110 Ca -0.04 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.05 61.25 1gqr n THR 110 Cb 0.59 -1.10 -0.14 0.00 -1.82 0.00 0.00 70.33 67.86 1gqr n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1gqr s VAL 111 N -0.67 3.00 -0.10 12.58 1.01 -0.56 -1.44 120.40 134.22 1gqr s VAL 111 Ca 0.64 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1gqr s VAL 111 Cb -0.72 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1gqr s VAL 111 CO 0.56 0.57 -0.16 -0.04 0.00 0.00 0.00 175.10 176.04 1gqr s MET 112 N -0.45 2.28 -0.27 2.72 -1.94 -0.63 -0.61 119.30 120.38 1gqr s MET 112 Ca 0.06 -0.59 -0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1gqr s MET 112 Cb -0.12 -1.88 0.02 0.00 2.01 0.00 0.00 34.83 34.86 1gqr s MET 112 CO 0.02 -0.01 -0.00 0.08 -0.01 0.00 0.00 175.02 175.10 1gqr s VAL 113 N 0.83 3.28 -0.03 -6.03 1.01 0.57 -0.10 120.40 119.93 1gqr s VAL 113 Ca -0.10 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.66 1gqr s VAL 113 Cb -0.16 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1gqr s VAL 113 CO 0.01 0.10 0.75 0.86 0.00 0.00 0.00 175.10 176.82 1gqr s TRP 114 N 1.37 3.62 -0.28 5.22 -0.11 0.12 -0.55 118.94 128.34 1gqr s TRP 114 Ca 0.00 1.35 0.02 0.00 1.22 0.00 0.00 56.10 58.69 1gqr s TRP 114 Cb -0.17 -2.84 0.06 0.00 -1.50 0.00 0.00 33.47 29.01 1gqr s TRP 114 CO -0.01 0.12 -0.07 0.42 -4.62 0.00 0.00 176.95 172.79 1gqr s ILE 115 N 0.62 2.39 0.69 5.86 1.01 0.30 -2.44 121.20 129.63 1gqr s ILE 115 Ca 0.40 -1.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.25 1gqr s ILE 115 Cb -0.19 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1gqr s ILE 115 CO 0.20 -0.10 1.19 -0.72 0.00 0.00 0.00 174.94 175.51 1gqr s TYR 116 N 1.12 2.23 0.00 3.97 -0.85 -1.26 -3.28 117.35 119.28 1gqr s TYR 116 Ca -0.06 1.57 0.00 0.00 -0.52 0.00 0.00 57.07 58.06 1gqr s TYR 116 Cb -0.20 -3.42 0.00 0.00 0.38 0.00 0.00 41.96 38.72 1gqr s TYR 116 CO -0.04 -2.37 0.00 0.41 -1.52 0.00 0.00 175.55 172.03 1gqr n GLY 117 N 0.26 1.41 0.00 5.49 0.00 -1.13 -3.41 105.19 107.82 1gqr n GLY 117 Ca 0.13 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1gqr n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqr n GLY 118 N 5.00 1.17 2.45 -0.02 0.00 -1.26 -4.08 105.19 108.46 1gqr n GLY 118 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1gqr n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqr n GLY 119 N 0.00 1.70 3.31 -0.02 0.00 -1.26 -1.42 105.19 107.51 1gqr n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gqr n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqr n PHE 120 N -2.33 0.00 0.37 1.61 3.72 -1.26 -4.75 117.46 114.82 1gqr n PHE 120 Ca -0.19 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.25 1gqr n PHE 120 Cb 0.62 -0.97 -0.02 0.00 -0.94 0.00 0.00 39.48 38.17 1gqr n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1gqr n TYR 121 N -2.11 0.00 -3.89 1.38 0.18 -0.66 -0.08 117.16 111.97 1gqr n TYR 121 Ca 0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 1gqr n TYR 121 Cb 0.08 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.04 1gqr n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1gqr s SER 122 N -1.47 0.21 0.00 9.48 1.04 -0.50 -3.75 113.70 118.71 1gqr s SER 122 Ca 0.05 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1gqr s SER 122 Cb 0.06 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.96 1gqr s SER 122 CO 0.27 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1gqr n GLY 123 N -0.53 4.39 3.01 7.32 0.00 -1.26 -4.09 105.19 114.04 1gqr n GLY 123 Ca -0.05 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 1gqr n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gqr s SER 124 N 0.00 0.04 0.05 1.61 0.01 -1.26 -4.65 113.70 109.50 1gqr s SER 124 Ca 0.00 -0.13 0.24 0.00 1.31 0.00 0.00 55.95 57.37 1gqr s SER 124 Cb 0.00 0.16 0.32 0.00 0.21 0.00 0.00 66.02 66.71 1gqr s SER 124 CO 0.00 -0.21 1.27 -1.54 0.41 0.00 0.00 173.24 173.17 1gqr n SER 125 N 2.15 0.61 -0.46 2.44 3.41 -1.26 -4.11 113.62 116.40 1gqr n SER 125 Ca -0.19 -0.14 0.14 0.00 -0.26 0.00 0.00 58.87 58.43 1gqr n SER 125 Cb 0.57 0.38 0.53 0.00 -0.26 0.00 0.00 64.21 65.43 1gqr n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gqr n THR 126 N -1.82 0.00 -1.65 6.66 -2.24 -1.26 -4.81 114.28 109.15 1gqr n THR 126 Ca 0.04 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.21 1gqr n THR 126 Cb 0.40 0.47 0.07 0.00 -2.10 0.00 0.00 70.33 69.17 1gqr n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gqr n LEU 127 N 0.13 5.09 -0.27 3.22 4.77 -1.26 -4.91 117.00 123.77 1gqr n LEU 127 Ca 0.19 0.80 -0.01 0.00 -0.03 0.00 0.00 56.01 56.96 1gqr n LEU 127 Cb 0.35 -1.49 0.19 0.00 -2.33 0.00 0.00 43.42 40.13 1gqr n LEU 127 CO 0.17 -1.38 1.24 0.44 -1.33 0.00 0.00 177.39 176.53 1gqr h ASP 128 N 0.39 0.98 0.55 -1.43 5.19 -1.93 -1.21 116.42 118.96 1gqr h ASP 128 Ca -0.50 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1gqr h ASP 128 Cb 1.35 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.61 1gqr h ASP 128 CO 0.52 0.72 0.00 1.33 -3.12 0.00 0.00 179.24 178.69 1gqr n VAL 129 N -4.39 0.89 -0.07 -1.35 0.24 -1.26 -2.26 118.33 110.12 1gqr n VAL 129 Ca 0.09 0.22 0.11 0.00 -2.04 0.00 0.00 64.34 62.72 1gqr n VAL 129 Cb 0.04 -0.94 0.25 0.00 -1.47 0.00 0.00 33.84 31.72 1gqr n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1gqr n TYR 130 N -1.50 0.70 -1.65 6.34 4.01 -0.46 -4.63 117.16 119.97 1gqr n TYR 130 Ca 0.04 -0.39 -0.42 0.00 -0.16 0.00 0.00 57.90 56.97 1gqr n TYR 130 Cb 0.19 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1gqr n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1gqr s ASN 131 N -1.17 5.37 0.00 7.72 3.84 -0.96 -4.82 114.94 124.92 1gqr s ASN 131 Ca 0.40 1.72 0.19 0.00 0.21 0.00 0.00 52.86 55.38 1gqr s ASN 131 Cb 0.22 -2.51 1.01 0.00 -0.55 0.00 0.00 41.25 39.42 1gqr s ASN 131 CO 0.30 -2.05 1.56 0.61 -2.79 0.00 0.00 177.10 174.72 1gqr n GLY 132 N 5.76 -0.80 0.39 1.21 0.00 -1.26 -4.02 105.19 106.47 1gqr n GLY 132 Ca 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1gqr n GLY 132 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1gqr h LYS 133 N 0.00 -0.35 -0.62 1.61 3.64 -1.91 -1.03 116.57 117.90 1gqr h LYS 133 Ca 0.00 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1gqr h LYS 133 Cb 0.12 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1gqr h LYS 133 CO 0.00 -0.23 0.05 1.88 -2.27 0.00 0.00 179.45 178.88 1gqr h TYR 134 N -0.36 1.14 -0.06 1.91 -1.99 -1.79 -1.92 116.97 113.89 1gqr h TYR 134 Ca 0.12 -0.17 -0.18 0.00 2.00 0.00 0.00 58.73 60.50 1gqr h TYR 134 Cb 0.59 -0.31 0.01 0.00 2.00 0.00 0.00 36.73 39.03 1gqr h TYR 134 CO -0.58 0.98 -0.66 1.25 -0.00 0.00 0.00 178.16 179.15 1gqr h LEU 135 N 0.98 0.68 -0.31 3.88 5.85 -1.70 -0.28 115.31 124.40 1gqr h LEU 135 Ca 0.18 -0.70 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1gqr h LEU 135 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1gqr h LEU 135 CO 0.02 1.27 0.19 0.00 -0.34 0.00 0.00 178.44 179.58 1gqr h ALA 136 N 0.42 0.40 0.23 1.25 0.00 -1.19 -0.42 119.26 119.94 1gqr h ALA 136 Ca -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gqr h ALA 136 Cb 1.33 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gqr h ALA 136 CO 0.13 -0.09 -0.11 -0.92 0.00 0.00 0.00 179.25 178.26 1gqr h TYR 137 N 0.40 -0.29 -0.55 0.00 3.20 -1.40 -0.47 116.97 117.86 1gqr h TYR 137 Ca 0.11 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1gqr h TYR 137 Cb 0.02 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 1gqr h TYR 137 CO -0.04 0.06 0.09 1.15 -1.64 0.00 0.00 178.16 177.79 1gqr h THR 138 N -0.68 1.24 -0.03 1.81 2.02 -1.03 -3.23 112.91 113.00 1gqr h THR 138 Ca -0.03 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1gqr h THR 138 Cb 0.48 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1gqr h THR 138 CO 0.05 0.34 0.00 -0.62 0.37 0.00 0.00 175.52 175.66 1gqr n GLU 139 N -4.24 1.68 -3.49 6.66 -0.58 -0.17 -5.00 120.64 115.49 1gqr n GLU 139 Ca 0.04 -1.66 -0.18 0.00 -0.42 0.00 0.00 57.16 54.94 1gqr n GLU 139 Cb 0.26 -1.37 0.07 0.00 -0.57 0.00 0.00 31.44 29.83 1gqr n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1gqr n GLU 140 N 1.08 -5.94 -4.31 3.49 1.02 -0.22 -5.02 120.64 110.74 1gqr n GLU 140 Ca 0.11 0.79 -0.22 0.00 -0.02 0.00 0.00 57.16 57.82 1gqr n GLU 140 Cb 0.48 -5.67 -0.11 0.00 -0.02 0.00 0.00 31.44 26.12 1gqr n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1gqr s VAL 141 N -3.44 1.72 -0.50 2.62 -7.23 -0.96 -4.63 120.40 107.97 1gqr s VAL 141 Ca 0.02 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.17 1gqr s VAL 141 Cb -0.00 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.24 1gqr s VAL 141 CO 0.75 -0.28 0.78 -0.69 -0.31 0.00 0.00 175.10 175.36 1gqr s VAL 142 N -1.88 4.63 -0.23 1.32 1.01 -0.52 -4.43 120.40 120.30 1gqr s VAL 142 Ca 0.13 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1gqr s VAL 142 Cb -0.06 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1gqr s VAL 142 CO 0.06 -0.86 0.33 -0.22 0.00 0.00 0.00 175.10 174.41 1gqr s LEU 143 N 3.30 4.11 -0.01 3.92 2.96 -0.83 -1.61 118.68 130.54 1gqr s LEU 143 Ca 0.26 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.58 1gqr s LEU 143 Cb -0.14 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1gqr s LEU 143 CO 0.19 -0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 1gqr s VAL 144 N 1.46 2.91 -0.10 1.68 1.01 0.86 -0.52 120.40 127.70 1gqr s VAL 144 Ca 0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1gqr s VAL 144 Cb -0.15 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.08 1gqr s VAL 144 CO 0.08 0.48 -0.08 -0.94 0.00 0.00 0.00 175.10 174.63 1gqr s SER 145 N -1.05 2.09 0.65 3.32 1.04 -0.37 0.15 113.70 119.52 1gqr s SER 145 Ca 0.13 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1gqr s SER 145 Cb -0.11 -0.82 0.11 0.00 0.10 0.00 0.00 66.02 65.31 1gqr s SER 145 CO 0.03 -0.10 0.90 -1.48 0.98 0.00 0.00 173.24 173.57 1gqr s LEU 146 N 1.57 3.01 0.06 2.42 0.05 -1.02 -1.26 118.68 123.51 1gqr s LEU 146 Ca 0.02 -0.70 -0.00 0.00 0.05 0.00 0.00 54.13 53.49 1gqr s LEU 146 Cb -0.13 -1.65 -0.04 0.00 -2.05 0.00 0.00 46.19 42.32 1gqr s LEU 146 CO -0.07 -1.64 -0.04 -0.94 -0.55 0.00 0.00 176.35 173.12 1gqr s SER 147 N -4.73 0.61 0.03 1.48 1.04 -1.18 -4.60 113.70 106.34 1gqr s SER 147 Ca 0.65 -0.96 -0.23 0.00 0.48 0.00 0.00 55.95 55.89 1gqr s SER 147 Cb -0.05 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.29 1gqr s SER 147 CO 0.42 -0.55 0.53 -0.72 0.98 0.00 0.00 173.24 173.91 1gqr s TYR 148 N -3.65 -0.45 0.18 5.02 1.13 -1.26 -4.45 117.35 113.87 1gqr s TYR 148 Ca 0.06 0.55 -0.31 0.00 -1.41 0.00 0.00 57.07 55.97 1gqr s TYR 148 Cb 0.06 0.34 -0.09 0.00 -1.10 0.00 0.00 41.96 41.17 1gqr s TYR 148 CO -0.08 -0.63 1.39 1.03 -2.51 0.00 0.00 175.55 174.74 1gqr s ARG 149 N -2.23 4.33 0.49 -3.49 0.52 -1.26 -4.89 118.95 112.42 1gqr s ARG 149 Ca -0.06 2.14 0.05 0.00 -0.52 0.00 0.00 55.73 57.34 1gqr s ARG 149 Cb -0.01 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 1gqr s ARG 149 CO 0.00 -0.38 0.21 0.14 0.02 0.00 0.00 175.30 175.30 1gqr s VAL 150 N 0.48 1.76 0.00 3.52 -7.23 -1.26 -3.99 120.40 113.68 1gqr s VAL 150 Ca 0.61 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1gqr s VAL 150 Cb -0.38 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1gqr s VAL 150 CO 0.36 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1gqr n GLY 151 N -1.43 0.72 0.31 2.32 0.00 0.88 -2.24 105.19 105.74 1gqr n GLY 151 Ca -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 46.02 45.20 1gqr n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqr h ALA 152 N -0.87 1.71 -0.84 4.61 0.00 -1.89 0.46 119.26 122.44 1gqr h ALA 152 Ca 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 1gqr h ALA 152 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1gqr h ALA 152 CO 0.00 0.26 0.55 0.74 0.00 0.00 0.00 179.25 180.80 1gqr h PHE 153 N 0.56 0.94 0.00 0.00 0.04 -1.90 0.08 116.94 116.65 1gqr h PHE 153 Ca 0.16 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1gqr h PHE 153 Cb -0.05 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.79 1gqr h PHE 153 CO -0.00 0.49 -1.27 0.41 -0.60 0.00 0.00 178.31 177.34 1gqr n GLY 154 N -1.41 -0.64 0.04 -1.45 0.00 -0.88 -4.09 105.19 96.75 1gqr n GLY 154 Ca 0.13 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1gqr n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gqr n PHE 155 N -1.74 0.00 -1.75 1.61 3.72 0.10 -0.57 117.46 118.83 1gqr n PHE 155 Ca -0.00 -0.14 -0.42 0.00 -0.05 0.00 0.00 57.45 56.84 1gqr n PHE 155 Cb 0.34 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.84 1gqr n PHE 155 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1gqr s LEU 156 N -0.31 4.40 -0.26 4.37 1.98 -0.00 -4.43 118.68 124.43 1gqr s LEU 156 Ca 0.01 2.65 0.02 0.00 -2.89 0.00 0.00 54.13 53.93 1gqr s LEU 156 Cb 0.01 -3.55 0.06 0.00 0.66 0.00 0.00 46.19 43.37 1gqr s LEU 156 CO 0.00 -1.00 -0.07 0.00 -1.89 0.00 0.00 176.35 173.39 1gqr s ALA 157 N 3.34 2.37 -0.70 5.97 0.00 -1.26 -3.31 121.76 128.16 1gqr s ALA 157 Ca 0.82 -1.70 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1gqr s ALA 157 Cb -0.43 -1.57 0.26 0.00 0.00 0.00 0.00 23.12 21.37 1gqr s ALA 157 CO 0.37 -1.26 0.85 1.28 0.00 0.00 0.00 175.76 177.01 1gqr n LEU 158 N 4.51 4.15 -4.56 0.00 4.77 -0.06 -2.49 117.00 123.32 1gqr n LEU 158 Ca -0.11 -5.42 -0.55 0.00 -0.03 0.00 0.00 56.01 49.90 1gqr n LEU 158 Cb 0.43 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 1gqr n LEU 158 CO 0.20 2.01 0.77 1.57 -1.33 0.00 0.00 177.39 180.61 1gqr n HIS 159 N 0.91 1.17 0.00 -1.77 -0.00 -1.26 -1.59 115.22 112.67 1gqr n HIS 159 Ca 0.29 0.81 0.00 0.00 -0.00 0.00 0.00 57.72 58.82 1gqr n HIS 159 Cb 0.40 -2.23 0.00 0.00 -0.00 0.00 0.00 29.99 28.15 1gqr n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gqr n GLY 160 N 2.13 2.73 3.85 1.57 0.00 -1.26 -5.08 105.19 109.13 1gqr n GLY 160 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1gqr n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gqr s SER 161 N -1.17 6.81 0.18 1.61 0.15 -0.62 -4.99 113.70 115.67 1gqr s SER 161 Ca 0.00 1.04 0.20 0.00 0.70 0.00 0.00 55.95 57.89 1gqr s SER 161 Cb 0.00 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1gqr s SER 161 CO 0.00 0.13 1.06 1.56 1.20 0.00 0.00 173.24 177.19 1gqr h GLN 162 N 3.69 0.00 -0.03 5.44 1.08 -1.98 -3.18 115.11 120.13 1gqr h GLN 162 Ca -0.49 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.51 1gqr h GLN 162 Cb 1.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1gqr h GLN 162 CO 0.66 0.15 -0.84 0.93 -0.95 0.00 0.00 178.83 178.78 1gqr h GLU 163 N 0.00 0.34 -1.62 1.46 4.39 -1.94 -3.40 114.58 113.81 1gqr h GLU 163 Ca -0.06 -0.33 -0.45 0.00 0.34 0.00 0.00 59.36 58.86 1gqr h GLU 163 Cb 1.25 0.08 -0.31 0.00 -0.10 0.00 0.00 28.75 29.67 1gqr h GLU 163 CO 0.02 1.00 -0.88 0.00 -1.16 0.00 0.00 179.01 177.99 1gqr n ALA 164 N -2.50 1.29 0.24 3.43 0.00 -1.26 -2.71 120.51 118.99 1gqr n ALA 164 Ca -0.05 -2.63 0.13 0.00 0.00 0.00 0.00 53.44 50.89 1gqr n ALA 164 Cb 0.77 -0.98 0.42 0.00 0.00 0.00 0.00 19.45 19.67 1gqr n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1gqr h PRO 165 N 4.62 0.00 0.00 0.00 0.13 -1.74 -0.14 132.00 134.88 1gqr h PRO 165 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1gqr h PRO 165 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1gqr h PRO 165 CO 0.35 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.63 1gqr n GLY 166 N 0.48 0.67 2.98 1.56 0.00 -1.21 -4.27 105.19 105.40 1gqr n GLY 166 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.18 1gqr n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gqr n ASN 167 N -0.57 -3.99 0.27 1.61 3.02 -1.26 -4.86 115.26 109.48 1gqr n ASN 167 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1gqr n ASN 167 Cb 0.00 -2.52 0.71 0.00 -0.61 0.00 0.00 39.78 37.36 1gqr n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1gqr h VAL 168 N 0.00 0.85 -0.17 2.41 -1.51 -1.83 -0.49 116.25 115.52 1gqr h VAL 168 Ca 0.00 -0.13 -0.11 0.00 -1.23 0.00 0.00 66.70 65.23 1gqr h VAL 168 Cb 0.57 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 1gqr h VAL 168 CO 0.00 0.04 -0.38 1.23 -1.23 0.00 0.00 177.57 177.23 1gqr h GLY 169 N 0.14 0.40 1.59 5.19 0.00 -1.03 -1.43 103.07 107.93 1gqr h GLY 169 Ca -0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 1gqr h GLY 169 CO 0.00 0.33 -0.52 1.41 0.00 0.00 0.00 176.54 177.77 1gqr h LEU 170 N 0.31 0.47 -1.05 3.11 3.38 -1.36 -2.82 115.31 117.35 1gqr h LEU 170 Ca 0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1gqr h LEU 170 Cb 0.81 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1gqr h LEU 170 CO 0.06 0.91 -0.47 -0.07 0.09 0.00 0.00 178.44 178.96 1gqr h LEU 171 N 0.34 0.00 -0.35 1.67 3.38 -0.96 -1.27 115.31 118.10 1gqr h LEU 171 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1gqr h LEU 171 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1gqr h LEU 171 CO 0.09 0.47 0.10 0.44 0.09 0.00 0.00 178.44 179.64 1gqr h ASP 172 N 0.00 0.52 -0.20 -0.43 3.32 -1.07 0.11 116.42 118.67 1gqr h ASP 172 Ca -0.00 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.85 1gqr h ASP 172 Cb 0.84 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1gqr h ASP 172 CO 0.06 0.60 0.08 1.56 -1.72 0.00 0.00 179.24 179.82 1gqr h GLN 173 N 0.42 0.17 -0.79 3.56 4.20 -1.23 -0.95 115.11 120.49 1gqr h GLN 173 Ca 0.11 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1gqr h GLN 173 Cb 0.27 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.96 1gqr h GLN 173 CO -0.00 0.12 0.50 -0.09 -0.67 0.00 0.00 178.83 178.69 1gqr h ARG 174 N 0.18 0.95 -0.55 1.46 2.43 -0.92 0.19 114.38 118.11 1gqr h ARG 174 Ca 0.09 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1gqr h ARG 174 Cb 0.04 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1gqr h ARG 174 CO -0.08 0.63 0.03 1.98 -1.51 0.00 0.00 179.97 181.01 1gqr h MET 175 N 0.98 0.93 -0.66 0.20 4.05 -0.38 0.23 114.93 120.28 1gqr h MET 175 Ca 0.32 -0.26 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1gqr h MET 175 Cb 0.02 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1gqr h MET 175 CO -0.12 0.91 0.13 0.00 0.23 0.00 0.00 176.91 178.06 1gqr h ALA 176 N 1.16 0.88 -0.33 0.39 0.00 -0.43 0.39 119.26 121.32 1gqr h ALA 176 Ca 0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1gqr h ALA 176 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1gqr h ALA 176 CO 0.02 0.63 -0.09 -0.07 0.00 0.00 0.00 179.25 179.74 1gqr h LEU 177 N 1.01 0.53 -0.43 0.00 3.38 -0.25 -1.16 115.31 118.39 1gqr h LEU 177 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1gqr h LEU 177 Cb 0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1gqr h LEU 177 CO 0.01 0.67 -0.06 -0.61 0.09 0.00 0.00 178.44 178.54 1gqr h GLN 178 N 0.51 0.80 -0.39 1.13 5.75 0.20 -0.68 115.11 122.42 1gqr h GLN 178 Ca 0.10 -0.29 -0.08 0.00 -0.15 0.00 0.00 58.65 58.23 1gqr h GLN 178 Cb 0.47 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1gqr h GLN 178 CO 0.03 0.90 -0.07 2.35 -2.65 0.00 0.00 178.83 179.39 1gqr h TRP 179 N 0.63 0.72 -0.45 3.99 7.01 -0.52 -0.67 115.95 126.66 1gqr h TRP 179 Ca 0.11 -0.11 -0.13 0.00 2.11 0.00 0.00 58.89 60.87 1gqr h TRP 179 Cb 0.58 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 1gqr h TRP 179 CO 0.05 0.72 -0.24 0.28 -2.79 0.00 0.00 178.44 176.46 1gqr h VAL 180 N 0.62 1.27 -0.49 2.65 2.07 -1.00 -0.08 116.25 121.29 1gqr h VAL 180 Ca 0.12 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1gqr h VAL 180 Cb 0.49 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1gqr h VAL 180 CO 0.03 0.48 0.32 -0.74 0.02 0.00 0.00 177.57 177.67 1gqr h HIS 181 N 0.80 0.62 0.00 1.57 -0.00 -0.42 -0.97 115.15 116.75 1gqr h HIS 181 Ca 0.10 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1gqr h HIS 181 Cb 0.80 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 1gqr h HIS 181 CO 0.05 0.39 -0.42 -0.44 -0.00 0.00 0.00 177.93 177.51 1gqr h ASP 182 N 0.66 0.00 0.00 3.26 3.32 -1.00 -3.41 116.42 119.25 1gqr h ASP 182 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1gqr h ASP 182 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1gqr h ASP 182 CO -0.04 0.20 -0.58 0.59 -1.72 0.00 0.00 179.24 177.70 1gqr n ASN 183 N -3.06 2.88 0.31 6.45 3.02 -0.06 -4.77 115.26 120.04 1gqr n ASN 183 Ca 0.02 -0.07 0.17 0.00 -0.03 0.00 0.00 54.58 54.67 1gqr n ASN 183 Cb 0.62 0.71 0.90 0.00 -0.61 0.00 0.00 39.78 41.41 1gqr n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1gqr h ILE 184 N 0.00 0.06 -0.25 2.41 6.09 -1.32 0.16 117.51 124.66 1gqr h ILE 184 Ca 0.00 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.44 1gqr h ILE 184 Cb 0.00 0.75 -0.01 0.00 0.47 0.00 0.00 36.82 38.02 1gqr h ILE 184 CO 0.00 0.00 -0.06 0.06 -3.07 0.00 0.00 178.15 175.08 1gqr h GLN 185 N 0.00 0.39 0.00 2.19 3.07 -1.78 0.15 115.11 119.13 1gqr h GLN 185 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1gqr h GLN 185 Cb 0.54 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.04 1gqr h GLN 185 CO -0.00 0.47 0.00 1.19 0.09 0.00 0.00 178.83 180.58 1gqr n PHE 186 N -4.28 0.79 0.55 0.06 3.72 0.04 -1.53 117.46 116.82 1gqr n PHE 186 Ca 0.00 0.31 0.10 0.00 -0.05 0.00 0.00 57.45 57.82 1gqr n PHE 186 Cb 0.25 -1.00 0.14 0.00 -0.94 0.00 0.00 39.48 37.93 1gqr n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1gqr n PHE 187 N -2.22 0.22 -0.20 1.38 3.01 -0.69 -4.84 117.46 114.11 1gqr n PHE 187 Ca 0.02 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1gqr n PHE 187 Cb 0.23 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1gqr n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqr n GLY 188 N 1.22 0.79 3.85 1.37 0.00 -0.58 -4.40 105.19 107.43 1gqr n GLY 188 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1gqr n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqr s GLY 189 N -1.70 2.41 -0.48 -0.02 0.00 0.44 -0.94 107.32 107.03 1gqr s GLY 189 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 44.72 44.49 1gqr s GLY 189 CO 0.00 0.20 0.62 -0.35 0.00 0.00 0.00 173.10 173.57 1gqr s ASP 190 N -2.03 6.24 0.45 1.64 2.15 0.23 -3.12 116.67 122.23 1gqr s ASP 190 Ca 0.47 -0.75 0.31 0.00 0.43 0.00 0.00 52.55 53.00 1gqr s ASP 190 Cb -0.13 -2.29 1.58 0.00 -0.30 0.00 0.00 42.92 41.78 1gqr s ASP 190 CO 0.19 -0.84 1.94 1.55 -0.17 0.00 0.00 175.17 177.85 1gqr h PRO 191 N 8.95 0.00 0.00 4.34 0.13 -1.88 -0.55 132.00 142.99 1gqr h PRO 191 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1gqr h PRO 191 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1gqr h PRO 191 CO 0.93 0.00 -0.21 1.63 -0.23 0.00 0.00 178.00 180.13 1gqr n LYS 192 N -2.63 0.01 -3.22 0.86 4.01 -1.26 -4.20 118.16 111.73 1gqr n LYS 192 Ca -0.01 0.00 -0.24 0.00 -0.51 0.00 0.00 58.31 57.55 1gqr n LYS 192 Cb 0.11 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.07 1gqr n LYS 192 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1gqr n THR 193 N -1.51 0.97 -3.84 -0.18 -1.04 -0.21 -4.69 114.28 103.77 1gqr n THR 193 Ca 0.06 -4.76 -0.36 0.00 -2.04 0.00 0.00 64.05 56.96 1gqr n THR 193 Cb 0.34 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 67.15 1gqr n THR 193 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1gqr s VAL 194 N -2.38 4.17 -0.23 12.58 1.01 -1.25 -1.49 120.40 132.81 1gqr s VAL 194 Ca 0.40 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 1gqr s VAL 194 Cb 0.22 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1gqr s VAL 194 CO -0.08 0.37 0.05 -0.89 0.00 0.00 0.00 175.10 174.55 1gqr s THR 195 N 1.43 4.28 -0.10 3.92 2.01 0.22 0.01 115.64 127.40 1gqr s THR 195 Ca 0.05 -0.19 -0.16 0.00 0.31 0.00 0.00 61.69 61.70 1gqr s THR 195 Cb -0.15 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1gqr s THR 195 CO 0.02 0.38 0.41 0.27 -0.69 0.00 0.00 174.62 175.01 1gqr s ILE 196 N 1.29 5.18 0.00 1.82 -4.36 -0.74 -0.31 121.20 124.08 1gqr s ILE 196 Ca 0.05 0.82 0.00 0.00 -0.26 0.00 0.00 60.65 61.26 1gqr s ILE 196 Cb -0.15 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 39.82 1gqr s ILE 196 CO 0.03 0.41 -0.02 0.72 0.24 0.00 0.00 174.94 176.31 1gqr s PHE 197 N 0.16 0.18 0.22 1.37 -0.71 0.29 -1.07 117.98 118.42 1gqr s PHE 197 Ca 0.23 -0.13 -0.18 0.00 -1.04 0.00 0.00 56.93 55.80 1gqr s PHE 197 Cb -0.15 -0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.57 1gqr s PHE 197 CO 0.09 -0.04 0.58 0.20 -1.34 0.00 0.00 175.22 174.71 1gqr s GLY 198 N -0.36 -0.07 0.01 1.99 0.00 -1.02 -0.54 107.32 107.33 1gqr s GLY 198 Ca -0.03 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.52 1gqr s GLY 198 CO -0.00 -0.21 -0.24 1.85 0.00 0.00 0.00 173.10 174.50 1gqr s GLU 199 N -3.89 1.77 7.61 2.90 -6.30 -1.20 -1.36 118.70 118.22 1gqr s GLU 199 Ca 0.10 -0.94 0.00 0.00 -2.50 0.00 0.00 54.97 51.63 1gqr s GLU 199 Cb -0.02 -1.82 0.00 0.00 0.00 0.00 0.00 34.13 32.29 1gqr s GLU 199 CO 0.00 0.48 0.00 0.45 0.02 0.00 0.00 175.26 176.21 1gqr n SER 200 N 2.15 0.00 0.27 -1.70 2.88 0.60 -1.00 113.62 116.82 1gqr n SER 200 Ca -0.16 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.51 1gqr n SER 200 Cb 0.52 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.74 1gqr n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gqr h ALA 201 N -0.86 1.31 -0.05 -1.46 0.00 -1.85 0.35 119.26 116.70 1gqr h ALA 201 Ca 0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1gqr h ALA 201 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gqr h ALA 201 CO 0.00 0.12 -0.79 0.78 0.00 0.00 0.00 179.25 179.36 1gqr h GLY 202 N 0.73 0.40 1.22 0.00 0.00 -1.09 0.34 103.07 104.68 1gqr h GLY 202 Ca -0.00 -0.61 -0.19 0.00 0.00 0.00 0.00 47.33 46.53 1gqr h GLY 202 CO 0.01 0.55 -0.58 -1.33 0.00 0.00 0.00 176.54 175.19 1gqr h GLY 203 N 1.37 0.89 0.96 4.60 0.00 -1.09 -1.33 103.07 108.47 1gqr h GLY 203 Ca -0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 47.33 46.20 1gqr h GLY 203 CO 0.13 0.96 0.20 0.00 0.00 0.00 0.00 176.54 177.83 1gqr h ALA 204 N 0.72 0.57 -0.56 3.60 0.00 -0.92 -2.34 119.26 120.33 1gqr h ALA 204 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1gqr h ALA 204 Cb 1.18 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1gqr h ALA 204 CO 0.12 0.14 0.29 0.77 0.00 0.00 0.00 179.25 180.58 1gqr h SER 205 N 0.57 0.42 -0.49 0.00 0.02 -0.80 0.23 113.55 113.49 1gqr h SER 205 Ca 0.15 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1gqr h SER 205 Cb 0.14 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 1gqr h SER 205 CO -0.02 0.28 0.21 0.58 -1.14 0.00 0.00 176.83 176.74 1gqr h VAL 206 N 0.55 0.88 -0.00 2.27 2.07 -0.88 0.41 116.25 121.55 1gqr h VAL 206 Ca 0.25 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 1gqr h VAL 206 Cb 0.15 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1gqr h VAL 206 CO -0.17 0.07 -0.39 1.23 0.02 0.00 0.00 177.57 178.33 1gqr h GLY 207 N 0.40 0.01 1.96 2.17 0.00 -0.87 -2.02 103.07 104.73 1gqr h GLY 207 Ca 0.23 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 1gqr h GLY 207 CO -0.20 0.01 -0.58 -0.33 0.00 0.00 0.00 176.54 175.43 1gqr h MET 208 N 0.01 0.04 0.00 4.80 2.86 0.52 -1.58 114.93 121.58 1gqr h MET 208 Ca -0.00 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.45 1gqr h MET 208 Cb 0.70 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1gqr h MET 208 CO 0.05 0.61 -0.75 0.45 1.06 0.00 0.00 176.91 178.34 1gqr h HIS 209 N 0.03 0.00 -0.40 -0.22 3.86 -0.57 0.69 115.15 118.54 1gqr h HIS 209 Ca -0.01 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1gqr h HIS 209 Cb 1.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 1gqr h HIS 209 CO 0.00 0.75 -0.22 0.82 0.86 0.00 0.00 177.93 180.14 1gqr h ILE 210 N 0.00 1.27 0.01 2.45 2.04 -1.08 -3.14 117.51 119.06 1gqr h ILE 210 Ca -0.01 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 1gqr h ILE 210 Cb 1.41 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1gqr h ILE 210 CO 0.10 0.45 -0.01 -0.07 0.00 0.00 0.00 178.15 178.62 1gqr h LEU 211 N 0.70 -0.01 -9.27 1.44 3.38 -1.09 0.16 115.31 110.62 1gqr h LEU 211 Ca 0.10 -0.75 -0.55 0.00 0.09 0.00 0.00 57.88 56.77 1gqr h LEU 211 Cb 0.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1gqr h LEU 211 CO 0.06 0.76 1.13 -0.55 0.09 0.00 0.00 178.44 179.93 1gqr s SER 212 N -5.96 6.59 0.29 -0.43 0.15 0.22 -4.62 113.70 109.93 1gqr s SER 212 Ca -0.17 2.29 0.03 0.00 0.70 0.00 0.00 55.95 58.81 1gqr s SER 212 Cb -0.01 -2.53 0.64 0.00 -1.71 0.00 0.00 66.02 62.41 1gqr s SER 212 CO 0.66 -0.99 1.81 -0.65 1.20 0.00 0.00 173.24 175.27 1gqr h PRO 213 N 9.92 0.87 0.00 5.44 0.11 -1.85 -0.37 132.00 146.12 1gqr h PRO 213 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1gqr h PRO 213 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1gqr h PRO 213 CO 0.95 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.73 1gqr n GLY 214 N -1.34 -0.73 0.02 -0.55 0.00 -1.26 -3.28 105.19 98.04 1gqr n GLY 214 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1gqr n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqr n SER 215 N -1.27 4.11 -0.31 1.61 7.64 -0.19 -4.80 113.62 120.40 1gqr n SER 215 Ca 0.07 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.08 1gqr n SER 215 Cb 0.11 0.69 0.27 0.00 -1.01 0.00 0.00 64.21 64.27 1gqr n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1gqr h ARG 216 N 0.00 0.08 0.00 1.43 3.08 -1.39 -0.51 114.38 117.06 1gqr h ARG 216 Ca -0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1gqr h ARG 216 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1gqr h ARG 216 CO 0.00 0.05 0.00 -0.25 -1.07 0.00 0.00 179.97 178.70 1gqr n ASP 217 N -5.39 0.38 -0.08 7.04 8.00 -1.26 -3.54 116.55 121.70 1gqr n ASP 217 Ca 0.21 0.58 0.16 0.00 0.71 0.00 0.00 54.79 56.45 1gqr n ASP 217 Cb 0.70 -0.66 0.87 0.00 -0.02 0.00 0.00 41.12 42.01 1gqr n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1gqr n LEU 218 N -1.90 0.25 -3.71 0.64 4.77 -0.20 -4.90 117.00 111.95 1gqr n LEU 218 Ca 0.04 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1gqr n LEU 218 Cb 0.25 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1gqr n LEU 218 CO 0.20 0.04 0.23 0.72 -1.33 0.00 0.00 177.39 177.25 1gqr s PHE 219 N -2.02 -0.13 -0.18 -1.77 -0.71 -1.23 -4.82 117.98 107.12 1gqr s PHE 219 Ca 0.46 -0.20 -0.14 0.00 -1.04 0.00 0.00 56.93 56.00 1gqr s PHE 219 Cb 0.22 0.33 -0.07 0.00 -1.21 0.00 0.00 43.02 42.29 1gqr s PHE 219 CO 0.37 -0.84 -0.20 -2.13 -1.34 0.00 0.00 175.22 171.08 1gqr n ARG 220 N -0.30 0.51 -4.49 1.99 3.00 0.10 -4.95 116.66 112.52 1gqr n ARG 220 Ca -0.12 0.40 -0.24 0.00 -0.00 0.00 0.00 57.85 57.90 1gqr n ARG 220 Cb 0.63 -1.59 -0.09 0.00 0.00 0.00 0.00 32.46 31.40 1gqr n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1gqr s ARG 221 N -2.50 1.79 -0.01 -0.14 0.52 -1.08 -4.63 118.95 112.89 1gqr s ARG 221 Ca -0.24 -2.05 -0.08 0.00 -0.52 0.00 0.00 55.73 52.84 1gqr s ARG 221 Cb 0.05 -0.74 0.01 0.00 0.52 0.00 0.00 34.95 34.78 1gqr s ARG 221 CO 0.37 -0.33 0.17 0.00 0.02 0.00 0.00 175.30 175.53 1gqr s ALA 222 N -3.27 -0.41 -0.10 2.13 0.00 -1.15 -1.79 121.76 117.17 1gqr s ALA 222 Ca 0.29 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1gqr s ALA 222 Cb 0.06 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1gqr s ALA 222 CO 0.14 -0.19 -0.13 0.42 0.00 0.00 0.00 175.76 176.00 1gqr s ILE 223 N -1.08 1.35 -0.19 0.00 1.01 -0.23 -1.67 121.20 120.39 1gqr s ILE 223 Ca -0.12 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1gqr s ILE 223 Cb -0.06 -1.26 0.02 0.00 0.01 0.00 0.00 42.46 41.18 1gqr s ILE 223 CO 0.02 0.41 -0.18 -0.76 0.00 0.00 0.00 174.94 174.43 1gqr s LEU 224 N 1.09 2.31 -0.26 2.97 1.02 -0.44 -2.42 118.68 122.95 1gqr s LEU 224 Ca -0.05 -0.73 -0.05 0.00 0.02 0.00 0.00 54.13 53.32 1gqr s LEU 224 Cb -0.14 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.57 1gqr s LEU 224 CO -0.02 -0.02 0.01 -1.10 0.02 0.00 0.00 176.35 175.23 1gqr s GLN 225 N 1.28 3.14 -1.52 1.70 -0.21 -0.47 -1.84 119.66 121.75 1gqr s GLN 225 Ca 0.03 -0.80 -0.07 0.00 0.02 0.00 0.00 55.36 54.54 1gqr s GLN 225 Cb -0.14 -3.18 0.06 0.00 1.00 0.00 0.00 33.01 30.75 1gqr s GLN 225 CO -0.12 -0.35 0.57 0.43 -2.12 0.00 0.00 175.29 173.70 1gqr n SER 226 N 4.80 -1.56 -3.61 5.90 7.64 0.35 -0.29 113.62 126.85 1gqr n SER 226 Ca -0.16 -1.00 -0.12 0.00 1.01 0.00 0.00 58.87 58.59 1gqr n SER 226 Cb 0.49 -2.96 -0.07 0.00 -1.01 0.00 0.00 64.21 60.66 1gqr n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1gqr s GLY 227 N -3.94 -0.37 -0.02 0.23 0.00 -1.26 -3.04 107.32 98.92 1gqr s GLY 227 Ca 0.29 2.17 -0.04 0.00 0.00 0.00 0.00 44.72 47.14 1gqr s GLY 227 CO 0.90 1.58 0.08 -0.56 0.00 0.00 0.00 173.10 175.11 1gqr s SER 228 N -0.08 -0.01 0.55 1.64 0.01 -1.26 -4.12 113.70 110.44 1gqr s SER 228 Ca -0.01 -0.04 0.26 0.00 1.31 0.00 0.00 55.95 57.47 1gqr s SER 228 Cb -0.04 0.18 1.56 0.00 0.21 0.00 0.00 66.02 67.94 1gqr s SER 228 CO -0.00 -0.17 2.16 1.55 0.41 0.00 0.00 173.24 177.19 1gqr h PRO 229 N 5.30 0.00 -0.30 12.44 0.13 -1.82 -2.17 132.00 145.59 1gqr h PRO 229 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1gqr h PRO 229 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1gqr h PRO 229 CO 0.43 0.06 0.00 0.27 -0.23 0.00 0.00 178.00 178.52 1gqr n ASN 230 N -3.92 1.88 -4.78 1.44 6.94 -1.26 -4.72 115.26 110.84 1gqr n ASN 230 Ca -0.03 -1.90 -0.41 0.00 -0.02 0.00 0.00 54.58 52.22 1gqr n ASN 230 Cb 0.14 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1gqr n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gqr h PRO 232 N 2.91 0.00 -0.00 0.00 0.13 -1.84 -1.72 132.00 131.47 1gqr h PRO 232 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1gqr h PRO 232 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1gqr h PRO 232 CO 0.64 0.00 -0.75 -2.67 -0.23 0.00 0.00 178.00 174.98 1gqr n TRP 233 N -2.82 0.00 1.02 1.56 4.27 -1.26 -4.55 117.44 115.66 1gqr n TRP 233 Ca -0.02 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.72 1gqr n TRP 233 Cb 0.20 0.00 0.54 0.00 -1.36 0.00 0.00 31.31 30.69 1gqr n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1gqr n ALA 234 N -1.16 2.63 -3.34 -1.67 0.00 -0.64 -4.61 120.51 111.71 1gqr n ALA 234 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1gqr n ALA 234 Cb 0.30 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1gqr n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1gqr s SER 235 N -2.98 -0.48 0.09 0.00 1.04 -1.26 -3.42 113.70 106.70 1gqr s SER 235 Ca 0.14 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1gqr s SER 235 Cb 0.19 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 1gqr s SER 235 CO 0.57 -0.96 -0.02 0.68 0.98 0.00 0.00 173.24 174.48 1gqr s VAL 236 N -3.77 0.38 0.84 5.02 -7.23 -0.20 -4.96 120.40 110.48 1gqr s VAL 236 Ca 0.02 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 1gqr s VAL 236 Cb -0.01 -1.71 0.10 0.00 0.56 0.00 0.00 36.38 35.32 1gqr s VAL 236 CO -0.12 -0.83 1.09 -0.94 -0.31 0.00 0.00 175.10 174.00 1gqr s SER 237 N -3.00 4.01 0.39 4.85 1.04 -1.26 -1.63 113.70 118.10 1gqr s SER 237 Ca 0.13 1.47 0.13 0.00 0.48 0.00 0.00 55.95 58.16 1gqr s SER 237 Cb 0.07 -2.18 0.80 0.00 0.10 0.00 0.00 66.02 64.80 1gqr s SER 237 CO -0.05 -2.30 1.87 -0.37 0.98 0.00 0.00 173.24 173.37 1gqr h VAL 238 N -1.31 1.23 -0.21 5.02 -1.51 -1.95 -0.89 116.25 116.63 1gqr h VAL 238 Ca -0.48 -1.09 -0.05 0.00 -1.23 0.00 0.00 66.70 63.86 1gqr h VAL 238 Cb 1.27 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.00 1gqr h VAL 238 CO 0.56 0.31 -0.05 0.00 -1.23 0.00 0.00 177.57 177.16 1gqr h ALA 239 N 1.68 0.29 -0.53 5.19 0.00 -1.95 -0.87 119.26 123.07 1gqr h ALA 239 Ca -0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1gqr h ALA 239 Cb 0.56 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1gqr h ALA 239 CO 0.04 0.06 -0.01 1.49 0.00 0.00 0.00 179.25 180.84 1gqr h GLU 240 N 0.13 0.90 -0.54 0.00 4.57 -1.86 -0.36 114.58 117.42 1gqr h GLU 240 Ca 0.05 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 1gqr h GLU 240 Cb 0.49 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1gqr h GLU 240 CO 0.02 0.90 0.18 0.78 -1.18 0.00 0.00 179.01 179.71 1gqr h GLY 241 N 0.99 0.90 1.00 1.92 0.00 -1.02 -1.04 103.07 105.82 1gqr h GLY 241 Ca 0.16 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1gqr h GLY 241 CO 0.02 0.49 0.08 -0.09 0.00 0.00 0.00 176.54 177.05 1gqr h ARG 242 N 0.75 0.87 -0.14 4.80 2.43 -0.84 -1.14 114.38 121.11 1gqr h ARG 242 Ca 0.18 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1gqr h ARG 242 Cb 0.27 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1gqr h ARG 242 CO -0.01 0.86 -0.10 -0.09 -1.51 0.00 0.00 179.97 179.12 1gqr h ARG 243 N 0.76 -0.11 -0.09 0.20 2.43 -0.72 -1.30 114.38 115.56 1gqr h ARG 243 Ca 0.16 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1gqr h ARG 243 Cb 0.41 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1gqr h ARG 243 CO 0.01 -0.07 -0.34 0.00 -1.51 0.00 0.00 179.97 178.06 1gqr h ARG 244 N -0.11 0.17 -0.44 0.20 3.08 -1.05 -1.56 114.38 114.67 1gqr h ARG 244 Ca 0.09 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1gqr h ARG 244 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1gqr h ARG 244 CO -0.21 0.50 -0.06 0.00 -1.07 0.00 0.00 179.97 179.13 1gqr h ALA 245 N 1.50 0.59 -0.34 0.04 0.00 -0.69 -1.03 119.26 119.34 1gqr h ALA 245 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1gqr h ALA 245 Cb 0.68 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1gqr h ALA 245 CO 0.05 0.44 -0.11 0.28 0.00 0.00 0.00 179.25 179.91 1gqr h VAL 246 N 0.64 1.28 -0.24 0.00 2.07 -1.05 -2.08 116.25 116.87 1gqr h VAL 246 Ca 0.12 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 1gqr h VAL 246 Cb 0.58 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1gqr h VAL 246 CO 0.03 0.39 -0.02 -0.08 0.02 0.00 0.00 177.57 177.92 1gqr h GLU 247 N 0.46 0.36 -0.30 1.57 4.57 -1.22 0.27 114.58 120.29 1gqr h GLU 247 Ca 0.08 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1gqr h GLU 247 Cb 0.63 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1gqr h GLU 247 CO 0.04 0.40 -0.05 1.25 -1.18 0.00 0.00 179.01 179.47 1gqr h LEU 248 N 0.35 0.57 -1.07 1.64 5.85 -0.99 -0.46 115.31 121.19 1gqr h LEU 248 Ca 0.08 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 1gqr h LEU 248 Cb 0.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1gqr h LEU 248 CO 0.01 0.78 -0.01 1.23 -0.34 0.00 0.00 178.44 180.11 1gqr h GLY 249 N 0.34 0.70 1.70 3.75 0.00 -0.63 -1.84 103.07 107.09 1gqr h GLY 249 Ca 0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1gqr h GLY 249 CO 0.03 0.41 -0.19 -0.09 0.00 0.00 0.00 176.54 176.70 1gqr h ARG 250 N 0.61 0.36 0.00 4.80 2.43 -0.12 0.62 114.38 123.07 1gqr h ARG 250 Ca 0.13 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1gqr h ARG 250 Cb 0.40 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1gqr h ARG 250 CO 0.02 0.54 -0.26 -0.91 -1.51 0.00 0.00 179.97 177.85 1gqr h ASN 251 N 0.33 0.00 -0.37 -3.80 2.35 -0.29 -3.03 115.58 110.76 1gqr h ASN 251 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1gqr h ASN 251 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1gqr h ASN 251 CO 0.03 0.26 0.00 0.18 -1.65 0.00 0.00 177.43 176.25 1gqr n LEU 252 N -3.43 4.29 -3.64 1.61 4.77 -0.67 -4.98 117.00 114.95 1gqr n LEU 252 Ca 0.00 -2.85 -0.27 0.00 -0.03 0.00 0.00 56.01 52.86 1gqr n LEU 252 Cb 0.45 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1gqr n LEU 252 CO 0.34 0.68 -0.07 0.59 -1.33 0.00 0.00 177.39 177.60 1gqr n ASN 253 N -0.01 -4.60 -4.93 -1.43 4.13 -0.68 -4.98 115.26 102.75 1gqr n ASN 253 Ca 0.22 -0.94 -0.28 0.00 1.68 0.00 0.00 54.58 55.26 1gqr n ASN 253 Cb 0.92 -3.73 -0.03 0.00 -1.54 0.00 0.00 39.78 35.40 1gqr n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gqr s ASN 255 N -3.04 6.55 -0.20 0.00 3.84 -1.26 -4.76 114.94 116.07 1gqr s ASN 255 Ca 0.36 1.60 0.15 0.00 0.21 0.00 0.00 52.86 55.18 1gqr s ASN 255 Cb -0.11 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 38.84 1gqr s ASN 255 CO 0.28 -1.11 1.71 0.18 -2.79 0.00 0.00 177.10 175.37 1gqr n LEU 256 N 7.87 5.43 0.18 3.21 4.77 -1.26 -3.07 117.00 134.13 1gqr n LEU 256 Ca 0.17 -2.80 0.04 0.00 -0.03 0.00 0.00 56.01 53.40 1gqr n LEU 256 Cb 0.45 -0.65 0.30 0.00 -2.33 0.00 0.00 43.42 41.19 1gqr n LEU 256 CO 0.63 0.69 0.64 0.78 -1.33 0.00 0.00 177.39 178.80 1gqr h ASN 257 N 3.98 0.00 -5.13 -1.43 2.35 -1.96 -3.46 115.58 109.92 1gqr h ASN 257 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1gqr h ASN 257 Cb 1.82 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 40.06 1gqr h ASN 257 CO 0.41 0.42 -0.23 -0.94 -1.65 0.00 0.00 177.43 175.44 1gqr s SER 258 N -6.51 -0.05 0.31 5.81 1.04 -1.26 -5.03 113.70 108.01 1gqr s SER 258 Ca -0.00 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.93 1gqr s SER 258 Cb 0.11 0.41 0.53 0.00 0.10 0.00 0.00 66.02 67.17 1gqr s SER 258 CO 0.70 -0.81 1.82 0.44 0.98 0.00 0.00 173.24 176.37 1gqr h ASP 259 N 2.55 0.50 -0.62 7.02 5.19 -1.93 -0.93 116.42 128.20 1gqr h ASP 259 Ca -0.33 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 1gqr h ASP 259 Cb 1.23 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 40.58 1gqr h ASP 259 CO 0.51 0.63 0.32 -0.33 -3.12 0.00 0.00 179.24 177.25 1gqr h GLU 260 N 0.49 0.88 0.01 3.56 3.07 -1.96 0.79 114.58 121.42 1gqr h GLU 260 Ca 0.10 -0.12 -0.20 0.00 -0.50 0.00 0.00 59.36 58.64 1gqr h GLU 260 Cb 0.44 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1gqr h GLU 260 CO 0.02 0.69 -0.89 0.93 -1.40 0.00 0.00 179.01 178.37 1gqr h GLU 261 N 0.85 0.17 0.09 2.33 5.08 -1.77 -1.22 114.58 120.11 1gqr h GLU 261 Ca 0.22 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1gqr h GLU 261 Cb 0.08 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1gqr h GLU 261 CO -0.03 0.95 -0.04 1.25 -1.00 0.00 0.00 179.01 180.13 1gqr h LEU 262 N 0.09 -0.10 -0.88 1.33 5.85 -0.95 -1.73 115.31 118.92 1gqr h LEU 262 Ca -0.04 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 1gqr h LEU 262 Cb 1.52 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.55 1gqr h LEU 262 CO 0.13 0.28 0.25 0.40 -0.34 0.00 0.00 178.44 179.17 1gqr h ILE 263 N -0.51 1.25 -0.55 4.05 2.04 -0.91 -0.21 117.51 122.68 1gqr h ILE 263 Ca -0.01 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1gqr h ILE 263 Cb 0.42 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1gqr h ILE 263 CO 0.02 0.33 0.21 -0.74 0.00 0.00 0.00 178.15 177.97 1gqr h HIS 264 N 1.05 0.86 0.21 1.37 2.76 -1.20 -1.03 115.15 119.16 1gqr h HIS 264 Ca 0.24 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1gqr h HIS 264 Cb 0.25 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1gqr h HIS 264 CO 0.02 0.71 -0.10 0.00 -1.30 0.00 0.00 177.93 177.25 1gqr h LEU 266 N -0.36 0.18 -0.66 0.00 3.38 -0.89 -1.02 115.31 115.94 1gqr h LEU 266 Ca -0.03 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1gqr h LEU 266 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1gqr h LEU 266 CO 0.05 0.12 -0.53 0.03 0.09 0.00 0.00 178.44 178.20 1gqr h ARG 267 N 0.21 0.00 0.00 1.13 3.08 -0.93 -2.92 114.38 114.96 1gqr h ARG 267 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1gqr h ARG 267 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1gqr h ARG 267 CO -0.02 0.53 0.00 0.93 -1.07 0.00 0.00 179.97 180.34 1gqr h GLU 268 N 0.00 0.00 -6.82 0.04 4.39 -0.79 -3.46 114.58 107.94 1gqr h GLU 268 Ca -0.01 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.19 1gqr h GLU 268 Cb 1.11 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1gqr h GLU 268 CO 0.07 0.00 0.47 0.15 -1.16 0.00 0.00 179.01 178.54 1gqr s LYS 269 N -3.15 4.60 0.61 2.33 -0.14 -1.07 -5.01 119.74 117.91 1gqr s LYS 269 Ca 0.09 1.79 -0.17 0.00 -1.36 0.00 0.00 55.97 56.31 1gqr s LYS 269 Cb 0.10 -3.13 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1gqr s LYS 269 CO 0.61 0.18 1.15 0.15 -0.76 0.00 0.00 175.35 176.68 1gqr s LYS 270 N -1.54 2.98 0.20 1.68 1.02 -1.26 -4.92 119.74 117.90 1gqr s LYS 270 Ca 0.46 1.60 -0.17 0.00 0.02 0.00 0.00 55.97 57.87 1gqr s LYS 270 Cb -0.31 -1.96 0.18 0.00 -0.52 0.00 0.00 37.83 35.22 1gqr s LYS 270 CO 0.40 -1.14 1.61 -1.35 -0.92 0.00 0.00 175.35 173.95 1gqr h PRO 271 N 0.61 -0.08 0.00 -1.68 0.11 -1.95 -0.95 132.00 128.07 1gqr h PRO 271 Ca -0.49 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1gqr h PRO 271 Cb 1.27 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1gqr h PRO 271 CO 0.55 -0.05 -0.00 0.37 -0.21 0.00 0.00 178.00 178.65 1gqr h GLN 272 N -0.08 0.00 -0.30 1.05 5.75 -1.99 -1.78 115.11 117.76 1gqr h GLN 272 Ca 0.27 0.00 -0.15 0.00 -0.15 0.00 0.00 58.65 58.62 1gqr h GLN 272 Cb 0.50 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.04 1gqr h GLN 272 CO -0.64 0.00 -0.40 0.93 -2.65 0.00 0.00 178.83 176.07 1gqr h GLU 273 N 0.00 0.72 -0.07 1.69 5.08 -1.52 -0.24 114.58 120.23 1gqr h GLU 273 Ca -0.00 -0.37 -0.24 0.00 -1.00 0.00 0.00 59.36 57.75 1gqr h GLU 273 Cb 0.02 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1gqr h GLU 273 CO 0.00 0.99 -0.89 -0.07 -1.00 0.00 0.00 179.01 178.04 1gqr h LEU 274 N 0.59 0.85 -0.92 1.33 3.38 -1.37 -3.22 115.31 115.94 1gqr h LEU 274 Ca 0.05 -0.61 -0.06 0.00 0.09 0.00 0.00 57.88 57.35 1gqr h LEU 274 Cb 0.94 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1gqr h LEU 274 CO 0.09 1.41 0.12 0.40 0.09 0.00 0.00 178.44 180.54 1gqr h ILE 275 N 0.43 1.24 -0.85 1.22 2.04 -1.36 -1.18 117.51 119.06 1gqr h ILE 275 Ca -0.08 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 64.93 1gqr h ILE 275 Cb 1.52 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 1gqr h ILE 275 CO 0.17 0.33 0.54 0.44 0.00 0.00 0.00 178.15 179.64 1gqr h ASP 276 N 0.87 0.87 -0.15 1.72 3.32 -1.05 -2.87 116.42 119.13 1gqr h ASP 276 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1gqr h ASP 276 Cb 0.35 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1gqr h ASP 276 CO 0.00 0.58 0.00 1.33 -1.72 0.00 0.00 179.24 179.44 1gqr n VAL 277 N -4.59 0.20 -0.29 -1.35 0.24 -1.16 -4.70 118.33 106.70 1gqr n VAL 277 Ca 0.11 -0.60 0.09 0.00 -2.04 0.00 0.00 64.34 61.90 1gqr n VAL 277 Cb 0.13 1.25 0.22 0.00 -1.47 0.00 0.00 33.84 33.97 1gqr n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1gqr h GLU 278 N 4.06 0.13 0.00 7.34 4.81 -0.97 -0.47 114.58 129.47 1gqr h GLU 278 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1gqr h GLU 278 Cb 0.89 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.24 1gqr h GLU 278 CO 0.00 0.08 0.00 0.91 -0.73 0.00 0.00 179.01 179.27 1gqr n TRP 279 N -5.32 0.00 0.86 0.92 7.02 -1.26 -3.50 117.44 116.15 1gqr n TRP 279 Ca 0.18 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.76 1gqr n TRP 279 Cb 0.59 -0.49 0.50 0.00 -2.42 0.00 0.00 31.31 29.48 1gqr n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1gqr n ASN 280 N -1.49 0.00 -0.22 -0.99 3.02 -0.18 -3.36 115.26 112.04 1gqr n ASN 280 Ca 0.06 0.29 0.12 0.00 -0.03 0.00 0.00 54.58 55.03 1gqr n ASN 280 Cb 0.30 -0.42 0.22 0.00 -0.61 0.00 0.00 39.78 39.28 1gqr n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1gqr n VAL 281 N -1.42 0.00 -1.81 2.41 0.24 -1.23 -4.95 118.33 111.58 1gqr n VAL 281 Ca 0.07 -0.11 -0.40 0.00 -2.04 0.00 0.00 64.34 61.86 1gqr n VAL 281 Cb 0.22 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.20 1gqr n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1gqr s LEU 282 N -2.66 4.16 0.24 1.34 1.43 -1.21 -4.77 118.68 117.20 1gqr s LEU 282 Ca 0.18 2.94 0.09 0.00 -1.03 0.00 0.00 54.13 56.31 1gqr s LEU 282 Cb 0.18 -3.88 0.23 0.00 0.03 0.00 0.00 46.19 42.76 1gqr s LEU 282 CO 0.61 -1.10 1.54 1.55 0.23 0.00 0.00 176.35 179.18 1gqr h PRO 283 N 2.49 0.02 -5.30 1.29 0.13 -1.94 -3.47 132.00 125.21 1gqr h PRO 283 Ca -0.51 -0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.21 1gqr h PRO 283 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 1gqr h PRO 283 CO 0.62 0.71 -0.70 -0.06 -0.23 0.00 0.00 178.00 178.33 1gqr s PHE 284 N -3.44 1.58 -0.55 1.56 0.40 -1.26 -5.07 117.98 111.20 1gqr s PHE 284 Ca -0.01 -0.72 -0.28 0.00 -0.60 0.00 0.00 56.93 55.31 1gqr s PHE 284 Cb 0.12 -0.82 0.02 0.00 0.51 0.00 0.00 43.02 42.85 1gqr s PHE 284 CO 0.78 0.18 1.29 0.34 0.70 0.00 0.00 175.22 178.51 1gqr s ASP 285 N -3.29 6.33 0.29 1.36 2.15 -1.26 -4.92 116.67 117.34 1gqr s ASP 285 Ca 0.23 0.25 -0.10 0.00 0.43 0.00 0.00 52.55 53.36 1gqr s ASP 285 Cb 0.02 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1gqr s ASP 285 CO 0.06 -1.55 0.51 -0.94 -0.17 0.00 0.00 175.17 173.08 1gqr s SER 286 N 3.57 0.23 0.12 -0.34 1.04 -1.26 -4.68 113.70 112.38 1gqr s SER 286 Ca 0.48 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.85 1gqr s SER 286 Cb -0.09 0.64 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1gqr s SER 286 CO 0.26 -1.25 -0.17 0.27 0.98 0.00 0.00 173.24 173.33 1gqr s ILE 287 N -3.52 1.54 -1.03 -1.02 -4.36 -1.04 -4.78 121.20 107.00 1gqr s ILE 287 Ca 0.24 -1.66 -0.02 0.00 -0.26 0.00 0.00 60.65 58.95 1gqr s ILE 287 Cb -0.01 -1.56 0.00 0.00 1.25 0.00 0.00 42.46 42.14 1gqr s ILE 287 CO 0.13 -0.26 0.22 0.33 0.24 0.00 0.00 174.94 175.60 1gqr n PHE 288 N 0.73 -0.97 -4.33 1.37 -0.00 -1.26 -4.78 117.46 108.22 1gqr n PHE 288 Ca -0.17 0.19 -0.20 0.00 -0.00 0.00 0.00 57.45 57.27 1gqr n PHE 288 Cb 0.56 -3.05 -0.16 0.00 -0.00 0.00 0.00 39.48 36.83 1gqr n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1gqr s ARG 289 N -5.00 0.93 0.02 -4.13 1.81 -1.26 -4.60 118.95 106.72 1gqr s ARG 289 Ca 0.11 -0.25 0.07 0.00 -1.72 0.00 0.00 55.73 53.94 1gqr s ARG 289 Cb -0.05 -0.87 -0.02 0.00 -0.45 0.00 0.00 34.95 33.56 1gqr s ARG 289 CO 0.14 0.06 -0.21 -0.06 -0.68 0.00 0.00 175.30 174.55 1gqr s PHE 290 N 0.36 1.83 0.06 -0.53 0.08 -1.26 -5.08 117.98 113.44 1gqr s PHE 290 Ca -0.05 -0.36 -0.27 0.00 0.12 0.00 0.00 56.93 56.36 1gqr s PHE 290 Cb -0.10 -1.13 -0.13 0.00 -0.57 0.00 0.00 43.02 41.10 1gqr s PHE 290 CO 0.01 0.04 1.42 0.77 -0.10 0.00 0.00 175.22 177.36 1gqr h SER 291 N 5.19 -1.06 -3.45 1.36 0.02 -1.92 -3.40 113.55 110.29 1gqr h SER 291 Ca -0.41 0.09 -0.71 0.00 -0.84 0.00 0.00 61.79 59.91 1gqr h SER 291 Cb 1.15 0.35 -0.28 0.00 0.14 0.00 0.00 62.40 63.76 1gqr h SER 291 CO 0.46 -0.50 -0.47 -0.36 -1.14 0.00 0.00 176.83 174.81 1gqr s PHE 292 N -5.14 3.35 0.33 3.45 0.08 -1.26 -5.01 117.98 113.78 1gqr s PHE 292 Ca -0.13 -1.59 0.03 0.00 0.12 0.00 0.00 56.93 55.35 1gqr s PHE 292 Cb 0.03 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.45 1gqr s PHE 292 CO 0.45 -0.86 0.10 0.14 -0.10 0.00 0.00 175.22 174.95 1gqr s VAL 293 N 1.41 0.79 0.43 -0.44 -7.23 -1.26 -4.46 120.40 109.64 1gqr s VAL 293 Ca 0.03 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 1gqr s VAL 293 Cb -0.23 -2.61 -0.11 0.00 0.56 0.00 0.00 36.38 34.00 1gqr s VAL 293 CO 0.02 0.00 0.92 -2.65 -0.31 0.00 0.00 175.10 173.07 1gqr n PRO 294 N -0.69 1.16 -4.59 4.82 -0.02 -1.22 -4.68 135.00 129.79 1gqr n PRO 294 Ca -0.02 0.42 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 1gqr n PRO 294 Cb 0.66 -1.94 -0.11 0.00 -0.02 0.00 0.00 33.50 32.09 1gqr n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gqr s VAL 295 N -1.32 3.39 -1.12 -1.45 0.11 -1.26 -1.03 120.40 117.73 1gqr s VAL 295 Ca 0.64 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 1gqr s VAL 295 Cb -0.56 -2.44 0.08 0.00 -1.53 0.00 0.00 36.38 31.93 1gqr s VAL 295 CO 0.56 0.44 1.49 -0.63 -3.33 0.00 0.00 175.10 173.63 1gqr s ILE 296 N -0.92 4.23 -0.79 7.04 -1.09 -0.64 -4.80 121.20 124.22 1gqr s ILE 296 Ca 0.15 -1.46 0.25 0.00 -2.23 0.00 0.00 60.65 57.37 1gqr s ILE 296 Cb -0.11 -5.05 0.08 0.00 -1.58 0.00 0.00 42.46 35.81 1gqr s ILE 296 CO 0.05 -1.87 1.47 -0.90 -1.23 0.00 0.00 174.94 172.46 1gqr n ASP 297 N 8.03 0.58 0.00 3.58 5.75 -1.26 -4.31 116.55 128.91 1gqr n ASP 297 Ca 0.37 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 1gqr n ASP 297 Cb 0.48 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1gqr n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gqr n GLY 298 N 1.40 1.61 0.24 6.12 0.00 0.30 -4.84 105.19 110.01 1gqr n GLY 298 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1gqr n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gqr n GLU 299 N -2.00 0.00 -0.12 1.61 1.02 -1.26 -4.28 120.64 115.61 1gqr n GLU 299 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1gqr n GLU 299 Cb 0.00 -0.32 -0.01 0.00 -0.02 0.00 0.00 31.44 31.10 1gqr n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1gqr h PHE 300 N 0.00 0.49 -3.71 -0.32 3.04 -1.92 -3.34 116.94 111.18 1gqr h PHE 300 Ca 0.00 -0.00 -0.69 0.00 3.98 0.00 0.00 57.97 61.26 1gqr h PHE 300 Cb 0.00 -0.16 -0.31 0.00 2.56 0.00 0.00 35.95 38.04 1gqr h PHE 300 CO 0.00 0.35 -0.65 -0.06 -2.02 0.00 0.00 178.31 175.93 1gqr s PHE 301 N -6.00 3.27 0.17 0.41 0.08 -1.26 -4.35 117.98 110.29 1gqr s PHE 301 Ca -0.13 -1.67 -0.18 0.00 0.12 0.00 0.00 56.93 55.07 1gqr s PHE 301 Cb 0.10 -2.23 0.09 0.00 -0.57 0.00 0.00 43.02 40.41 1gqr s PHE 301 CO 0.72 -0.77 1.65 -1.35 -0.10 0.00 0.00 175.22 175.37 1gqr h PRO 302 N 8.11 -0.07 0.00 0.24 0.11 -1.75 0.88 132.00 139.52 1gqr h PRO 302 Ca -0.22 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.85 1gqr h PRO 302 Cb 1.07 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1gqr h PRO 302 CO 0.57 -0.05 -0.05 0.25 -0.21 0.00 0.00 178.00 178.52 1gqr n THR 303 N -5.34 0.00 -1.68 -1.15 -2.24 -1.26 -4.32 114.28 98.29 1gqr n THR 303 Ca 0.02 -0.25 -0.40 0.00 -2.27 0.00 0.00 64.05 61.15 1gqr n THR 303 Cb 0.25 0.12 0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1gqr n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1gqr n SER 304 N -2.73 2.03 -0.25 3.42 3.41 -1.26 -4.79 113.62 113.44 1gqr n SER 304 Ca 0.01 1.01 0.01 0.00 -0.26 0.00 0.00 58.87 59.63 1gqr n SER 304 Cb 0.06 -1.47 0.13 0.00 -0.26 0.00 0.00 64.21 62.67 1gqr n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1gqr h LEU 305 N 1.55 0.53 -0.37 1.04 3.38 -1.98 -1.39 115.31 118.06 1gqr h LEU 305 Ca -0.48 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.55 1gqr h LEU 305 Cb 1.32 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1gqr h LEU 305 CO 0.57 0.32 0.22 -0.08 0.09 0.00 0.00 178.44 179.56 1gqr h GLU 306 N 0.66 0.43 -0.50 1.13 4.57 -1.99 0.90 114.58 119.79 1gqr h GLU 306 Ca 0.34 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.41 1gqr h GLU 306 Cb 0.31 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1gqr h GLU 306 CO -0.24 0.29 -0.01 0.66 -1.18 0.00 0.00 179.01 178.53 1gqr h SER 307 N 0.45 0.82 -0.67 1.04 4.64 -1.80 0.07 113.55 118.10 1gqr h SER 307 Ca 0.15 -0.21 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1gqr h SER 307 Cb 0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.85 1gqr h SER 307 CO -0.07 0.89 0.21 0.24 -0.87 0.00 0.00 176.83 177.24 1gqr h MET 308 N 0.78 1.04 -0.45 4.77 2.86 -0.62 -0.48 114.93 122.83 1gqr h MET 308 Ca 0.15 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1gqr h MET 308 Cb 0.49 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1gqr h MET 308 CO 0.02 0.90 0.04 -0.07 1.06 0.00 0.00 176.91 178.86 1gqr h LEU 309 N 0.97 0.74 -0.37 1.22 3.38 -0.43 0.88 115.31 121.70 1gqr h LEU 309 Ca 0.22 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1gqr h LEU 309 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1gqr h LEU 309 CO -0.01 0.84 0.06 0.78 0.09 0.00 0.00 178.44 180.21 1gqr h ASN 310 N 0.62 0.58 0.95 -0.43 -0.26 -0.71 -3.05 115.58 113.27 1gqr h ASN 310 Ca 0.13 -0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.61 1gqr h ASN 310 Cb 0.44 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1gqr h ASN 310 CO 0.02 0.69 0.00 -1.54 -1.06 0.00 0.00 177.43 175.53 1gqr n SER 311 N -4.56 0.02 -0.05 5.81 3.41 -0.21 -4.90 113.62 113.14 1gqr n SER 311 Ca -0.01 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1gqr n SER 311 Cb 0.22 -0.51 -0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1gqr n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqr n GLY 312 N 1.29 0.42 3.02 5.00 0.00 -0.74 -4.94 105.19 109.24 1gqr n GLY 312 Ca 0.06 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 1gqr n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gqr n ASN 313 N 1.90 4.40 -3.74 1.61 5.15 0.23 -4.84 115.26 119.97 1gqr n ASN 313 Ca -0.01 -2.91 -0.06 0.00 -0.60 0.00 0.00 54.58 51.01 1gqr n ASN 313 Cb 0.09 -1.65 -0.02 0.00 -0.53 0.00 0.00 39.78 37.67 1gqr n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1gqr s PHE 314 N 3.01 -0.20 0.01 1.20 -0.12 -1.26 -4.72 117.98 115.90 1gqr s PHE 314 Ca 0.48 -0.13 -0.30 0.00 -0.05 0.00 0.00 56.93 56.93 1gqr s PHE 314 Cb 0.10 0.64 -0.06 0.00 -0.63 0.00 0.00 43.02 43.07 1gqr s PHE 314 CO -0.03 -0.92 1.55 0.21 -0.05 0.00 0.00 175.22 175.98 1gqr s LYS 315 N -3.49 4.23 -0.36 1.99 2.20 0.56 -4.97 119.74 119.90 1gqr s LYS 315 Ca 0.10 2.15 -0.15 0.00 -0.36 0.00 0.00 55.97 57.71 1gqr s LYS 315 Cb -0.03 -3.68 -0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1gqr s LYS 315 CO 0.01 -0.70 0.35 0.15 -0.36 0.00 0.00 175.35 174.80 1gqr s LYS 316 N 2.88 3.41 0.00 4.03 1.02 -1.26 -4.96 119.74 124.86 1gqr s LYS 316 Ca 0.70 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1gqr s LYS 316 Cb -0.35 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.11 1gqr s LYS 316 CO 0.29 -0.59 0.00 -2.37 -0.92 0.00 0.00 175.35 171.76 1gqr n THR 317 N 5.24 0.00 -3.73 2.17 5.66 -1.26 -4.81 114.28 117.55 1gqr n THR 317 Ca -0.10 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.57 1gqr n THR 317 Cb 0.49 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.22 1gqr n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1gqr s GLN 318 N 0.18 3.60 0.03 1.09 1.11 -1.26 -1.05 119.66 123.35 1gqr s GLN 318 Ca 0.00 -0.08 0.02 0.00 0.01 0.00 0.00 55.36 55.31 1gqr s GLN 318 Cb 0.00 -3.02 -0.02 0.00 -1.01 0.00 0.00 33.01 28.96 1gqr s GLN 318 CO 0.00 0.60 -0.07 0.96 0.01 0.00 0.00 175.29 176.79 1gqr s ILE 319 N -1.39 0.48 -0.11 1.08 -4.36 -0.15 -2.93 121.20 113.80 1gqr s ILE 319 Ca 0.31 -0.81 0.01 0.00 -0.26 0.00 0.00 60.65 59.90 1gqr s ILE 319 Cb -0.13 -0.51 0.02 0.00 1.25 0.00 0.00 42.46 43.09 1gqr s ILE 319 CO 0.19 -0.24 -0.11 -0.22 0.24 0.00 0.00 174.94 174.80 1gqr s LEU 320 N -1.13 1.45 0.19 0.37 0.20 -0.67 -1.20 118.68 117.89 1gqr s LEU 320 Ca -0.07 -0.36 -0.11 0.00 0.69 0.00 0.00 54.13 54.28 1gqr s LEU 320 Cb -0.08 -0.95 -0.00 0.00 -0.43 0.00 0.00 46.19 44.74 1gqr s LEU 320 CO 0.00 -0.06 0.37 -1.48 -0.29 0.00 0.00 176.35 174.89 1gqr s LEU 321 N 1.38 0.64 0.00 -0.68 2.34 0.41 -1.32 118.68 121.44 1gqr s LEU 321 Ca -0.00 -0.81 0.00 0.00 0.06 0.00 0.00 54.13 53.38 1gqr s LEU 321 Cb -0.13 1.50 0.00 0.00 -0.56 0.00 0.00 46.19 46.99 1gqr s LEU 321 CO -0.06 -0.98 0.00 0.61 -1.06 0.00 0.00 176.35 174.86 1gqr n GLY 322 N -0.28 -1.23 3.30 -3.48 0.00 -0.76 -1.37 105.19 101.36 1gqr n GLY 322 Ca -0.06 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 1gqr n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gqr s VAL 323 N -2.32 0.48 0.16 1.61 -7.23 -1.11 -0.49 120.40 111.49 1gqr s VAL 323 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1gqr s VAL 323 Cb 0.00 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 1gqr s VAL 323 CO 0.00 -0.02 0.31 0.20 -0.31 0.00 0.00 175.10 175.27 1gqr s ASN 324 N -3.28 6.35 0.19 4.85 -0.87 -1.26 -0.92 114.94 119.99 1gqr s ASN 324 Ca 0.37 0.21 -0.11 0.00 -1.57 0.00 0.00 52.86 51.76 1gqr s ASN 324 Cb 0.08 -1.93 0.19 0.00 -0.02 0.00 0.00 41.25 39.57 1gqr s ASN 324 CO 0.13 0.03 1.78 0.50 -2.57 0.00 0.00 177.10 176.97 1gqr h LYS 325 N 2.08 0.50 -3.30 -0.60 3.64 -1.28 -3.35 116.57 114.26 1gqr h LYS 325 Ca -0.48 -0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.19 1gqr h LYS 325 Cb 1.20 -0.11 -0.37 0.00 -0.41 0.00 0.00 32.23 32.53 1gqr h LYS 325 CO 0.68 0.33 -0.30 -0.51 -2.27 0.00 0.00 179.45 177.39 1gqr s ASP 326 N -5.49 5.47 0.00 4.20 1.01 -0.84 -4.90 116.67 116.12 1gqr s ASP 326 Ca -0.13 -3.58 0.31 0.00 0.71 0.00 0.00 52.55 49.85 1gqr s ASP 326 Cb 0.15 -1.81 1.67 0.00 1.01 0.00 0.00 42.92 43.94 1gqr s ASP 326 CO 0.74 -0.19 2.09 -0.62 0.21 0.00 0.00 175.17 177.41 1gqr n GLU 327 N 2.46 1.17 -0.01 8.23 -0.58 -1.26 -3.28 120.64 127.37 1gqr n GLU 327 Ca 0.18 -0.25 0.01 0.00 -0.42 0.00 0.00 57.16 56.68 1gqr n GLU 327 Cb 0.36 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.70 1gqr n GLU 327 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1gqr n GLY 328 N 1.04 -0.27 0.41 0.62 0.00 -1.23 -4.25 105.19 101.51 1gqr n GLY 328 Ca 0.22 -0.12 0.24 0.00 0.00 0.00 0.00 46.02 46.37 1gqr n GLY 328 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gqr h SER 329 N 0.00 0.42 -0.24 1.61 4.64 -1.81 -2.31 113.55 115.86 1gqr h SER 329 Ca -0.06 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1gqr h SER 329 Cb 0.67 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1gqr h SER 329 CO 0.00 0.05 0.08 0.15 -0.87 0.00 0.00 176.83 176.24 1gqr h PHE 330 N 0.36 0.39 0.00 4.77 3.57 -1.85 -1.37 116.94 122.79 1gqr h PHE 330 Ca 0.62 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 62.04 1gqr h PHE 330 Cb 1.63 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 1gqr h PHE 330 CO -0.00 0.43 -0.20 0.74 -2.23 0.00 0.00 178.31 177.05 1gqr h PHE 331 N 0.23 0.00 -0.04 0.41 -1.00 -1.76 -2.37 116.94 112.41 1gqr h PHE 331 Ca 0.08 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.75 1gqr h PHE 331 Cb 0.22 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.79 1gqr h PHE 331 CO 0.00 0.20 -0.39 -0.07 -1.61 0.00 0.00 178.31 176.44 1gqr h LEU 332 N 0.00 0.41 -0.33 1.54 3.38 -1.41 -0.71 115.31 118.20 1gqr h LEU 332 Ca -0.00 -0.70 0.05 0.00 0.09 0.00 0.00 57.88 57.32 1gqr h LEU 332 Cb 1.03 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 1gqr h LEU 332 CO 0.03 1.05 0.05 0.25 0.09 0.00 0.00 178.44 179.91 1gqr h LEU 333 N -0.19 -0.02 -0.62 1.67 5.85 -1.17 0.16 115.31 120.99 1gqr h LEU 333 Ca -0.04 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 1gqr h LEU 333 Cb 1.07 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1gqr h LEU 333 CO 0.08 0.03 -0.46 1.88 -0.34 0.00 0.00 178.44 179.63 1gqr h TYR 334 N 0.16 0.00 0.00 1.25 -1.99 -1.45 -3.42 116.97 111.52 1gqr h TYR 334 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1gqr h TYR 334 Cb 0.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1gqr h TYR 334 CO -0.19 0.46 -0.24 0.41 -0.00 0.00 0.00 178.16 178.59 1gqr n GLY 335 N 0.58 0.34 3.80 3.88 0.00 -0.27 -5.08 105.19 108.43 1gqr n GLY 335 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1gqr n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqr s ALA 336 N -0.60 3.53 0.28 4.61 0.00 0.54 -5.01 121.76 125.11 1gqr s ALA 336 Ca 0.00 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1gqr s ALA 336 Cb 0.00 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.27 1gqr s ALA 336 CO 0.00 0.36 1.35 -1.25 0.00 0.00 0.00 175.76 176.22 1gqr s PRO 337 N -1.25 4.33 0.00 0.00 0.04 -1.26 -3.11 135.00 133.75 1gqr s PRO 337 Ca 0.33 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1gqr s PRO 337 Cb -0.20 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1gqr s PRO 337 CO 0.22 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1gqr n GLY 338 N 1.49 0.25 3.75 0.56 0.00 -1.26 -4.89 105.19 105.08 1gqr n GLY 338 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1gqr n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gqr s PHE 339 N -2.08 3.34 -0.11 1.61 0.08 -1.18 -4.59 117.98 115.04 1gqr s PHE 339 Ca 0.00 0.30 -0.18 0.00 0.12 0.00 0.00 56.93 57.17 1gqr s PHE 339 Cb 0.00 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.60 1gqr s PHE 339 CO 0.00 0.52 0.45 -1.54 -0.10 0.00 0.00 175.22 174.54 1gqr s SER 340 N -0.72 -0.42 0.27 1.36 1.04 -1.26 -4.88 113.70 109.09 1gqr s SER 340 Ca 0.12 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1gqr s SER 340 Cb -0.12 0.71 0.52 0.00 0.10 0.00 0.00 66.02 67.23 1gqr s SER 340 CO 0.03 -0.30 1.83 0.50 0.98 0.00 0.00 173.24 176.28 1gqr h LYS 341 N 4.65 0.94 -0.53 4.02 3.64 -1.98 -3.14 116.57 124.16 1gqr h LYS 341 Ca -0.28 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1gqr h LYS 341 Cb 1.17 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1gqr h LYS 341 CO 0.29 0.62 0.00 -0.25 -2.27 0.00 0.00 179.45 177.85 1gqr n ASP 342 N -4.63 2.84 -4.33 4.20 8.00 -1.26 -4.47 116.55 116.89 1gqr n ASP 342 Ca 0.18 -2.13 -0.17 0.00 0.71 0.00 0.00 54.79 53.37 1gqr n ASP 342 Cb 0.33 -0.38 -0.10 0.00 -0.02 0.00 0.00 41.12 40.95 1gqr n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1gqr s SER 343 N -0.88 1.52 0.00 -2.24 1.04 -1.19 -5.02 113.70 106.93 1gqr s SER 343 Ca 0.32 -1.32 0.21 0.00 0.48 0.00 0.00 55.95 55.64 1gqr s SER 343 Cb 0.19 0.08 1.10 0.00 0.10 0.00 0.00 66.02 67.49 1gqr s SER 343 CO 0.19 -0.64 1.64 -0.62 0.98 0.00 0.00 173.24 174.79 1gqr n GLU 344 N -0.46 0.41 -3.95 4.02 1.02 -1.26 -4.75 120.64 115.67 1gqr n GLU 344 Ca -0.02 0.06 -0.26 0.00 -0.02 0.00 0.00 57.16 56.92 1gqr n GLU 344 Cb 0.65 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.56 1gqr n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1gqr n SER 345 N -1.19 -1.12 -4.67 1.62 7.64 -1.26 -4.86 113.62 109.77 1gqr n SER 345 Ca 0.12 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 1gqr n SER 345 Cb 0.13 -3.23 -0.03 0.00 -1.01 0.00 0.00 64.21 60.08 1gqr n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1gqr s LYS 346 N -6.52 4.22 -0.05 1.43 1.02 -1.26 -4.71 119.74 113.87 1gqr s LYS 346 Ca 0.14 1.99 -0.15 0.00 0.02 0.00 0.00 55.97 57.97 1gqr s LYS 346 Cb -0.08 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.37 1gqr s LYS 346 CO 0.88 -0.74 0.41 0.42 -0.92 0.00 0.00 175.35 175.40 1gqr s ILE 347 N 3.44 5.10 0.71 2.17 -1.09 -0.02 -4.93 121.20 126.58 1gqr s ILE 347 Ca 0.66 0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 59.82 1gqr s ILE 347 Cb -0.30 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 36.91 1gqr s ILE 347 CO 0.25 0.50 1.05 -0.94 -1.23 0.00 0.00 174.94 174.57 1gqr s SER 348 N -0.51 4.97 0.34 3.58 1.04 -1.26 -3.97 113.70 117.89 1gqr s SER 348 Ca 0.23 0.69 0.02 0.00 0.48 0.00 0.00 55.95 57.37 1gqr s SER 348 Cb -0.16 -1.38 0.61 0.00 0.10 0.00 0.00 66.02 65.19 1gqr s SER 348 CO 0.11 -1.54 1.98 0.03 0.98 0.00 0.00 173.24 174.80 1gqr h ARG 349 N -0.65 0.80 -0.05 4.02 2.47 -1.89 0.46 114.38 119.54 1gqr h ARG 349 Ca -0.45 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 1gqr h ARG 349 Cb 1.30 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1gqr h ARG 349 CO 0.62 0.57 0.01 0.93 0.56 0.00 0.00 179.97 182.67 1gqr h GLU 350 N 0.81 0.08 0.00 0.04 3.07 -1.97 -2.41 114.58 114.20 1gqr h GLU 350 Ca 0.21 -0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1gqr h GLU 350 Cb -0.02 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1gqr h GLU 350 CO -0.04 0.27 -0.47 -0.44 -1.40 0.00 0.00 179.01 176.93 1gqr h ASP 351 N -0.13 0.00 0.04 1.42 3.32 -1.84 -2.51 116.42 116.73 1gqr h ASP 351 Ca 0.02 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1gqr h ASP 351 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1gqr h ASP 351 CO -0.00 0.47 -0.02 0.15 -1.72 0.00 0.00 179.24 178.12 1gqr h PHE 352 N 0.00 -0.06 0.00 4.55 3.57 -0.73 0.66 116.94 124.94 1gqr h PHE 352 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1gqr h PHE 352 Cb 0.95 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 1gqr h PHE 352 CO 0.00 0.02 -0.36 0.52 -2.23 0.00 0.00 178.31 176.26 1gqr h MET 353 N -0.11 0.00 -0.23 1.11 2.86 -1.37 -0.30 114.93 116.89 1gqr h MET 353 Ca -0.01 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1gqr h MET 353 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1gqr h MET 353 CO 0.01 0.36 -0.41 0.77 1.06 0.00 0.00 176.91 178.70 1gqr h SER 354 N 0.00 0.58 -0.25 1.22 0.02 -1.12 -2.57 113.55 111.43 1gqr h SER 354 Ca -0.00 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.63 1gqr h SER 354 Cb 0.68 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1gqr h SER 354 CO 0.05 0.92 -0.06 1.23 -1.14 0.00 0.00 176.83 177.84 1gqr h GLY 355 N 1.06 0.52 0.62 -3.77 0.00 -0.02 -2.08 103.07 99.40 1gqr h GLY 355 Ca 0.04 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.02 1gqr h GLY 355 CO 0.08 0.39 0.45 -2.08 0.00 0.00 0.00 176.54 175.38 1gqr h VAL 356 N 0.23 0.96 -0.64 4.60 2.07 -1.06 0.98 116.25 123.38 1gqr h VAL 356 Ca 0.06 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 1gqr h VAL 356 Cb 0.52 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1gqr h VAL 356 CO 0.02 0.15 0.14 0.50 0.02 0.00 0.00 177.57 178.40 1gqr h LYS 357 N 0.80 1.02 0.00 1.57 3.64 -1.28 -1.87 116.57 120.45 1gqr h LYS 357 Ca 0.36 -0.24 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1gqr h LYS 357 Cb 0.26 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1gqr h LYS 357 CO -0.21 0.91 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.23 1gqr h LEU 358 N 0.97 0.00 -0.22 5.20 3.38 -0.53 -3.26 115.31 120.85 1gqr h LEU 358 Ca 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 1gqr h LEU 358 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1gqr h LEU 358 CO 0.00 0.58 -0.86 0.28 0.09 0.00 0.00 178.44 178.53 1gqr h SER 359 N 0.00 0.63 -2.53 -0.43 0.02 -0.40 -2.75 113.55 108.09 1gqr h SER 359 Ca -0.01 -0.46 -0.64 0.00 -0.84 0.00 0.00 61.79 59.85 1gqr h SER 359 Cb 1.04 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 62.99 1gqr h SER 359 CO 0.08 1.24 -0.39 0.52 -1.14 0.00 0.00 176.83 177.14 1gqr n VAL 360 N -3.82 2.63 -0.20 2.27 0.31 -0.75 -4.93 118.33 113.85 1gqr n VAL 360 Ca -0.07 -5.24 -0.05 0.00 -0.01 0.00 0.00 64.34 58.98 1gqr n VAL 360 Cb 0.79 -2.14 -0.05 0.00 -0.91 0.00 0.00 33.84 31.53 1gqr n VAL 360 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1gqr n PRO 361 N 1.21 -0.21 -2.86 5.55 -0.02 -1.24 -2.51 135.00 134.92 1gqr n PRO 361 Ca 0.27 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 62.29 1gqr n PRO 361 Cb 0.39 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.57 1gqr n PRO 361 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 1gqr n HIS 362 N -4.29 3.52 -4.57 6.00 -0.00 -1.26 -4.97 115.22 109.65 1gqr n HIS 362 Ca 0.01 -3.44 -0.34 0.00 0.46 0.00 0.00 57.72 54.41 1gqr n HIS 362 Cb 0.13 -0.78 -0.12 0.00 -0.12 0.00 0.00 29.99 29.10 1gqr n HIS 362 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1gqr s ALA 363 N -3.72 2.96 1.01 1.57 0.00 -1.04 -5.12 121.76 117.42 1gqr s ALA 363 Ca 0.44 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 1gqr s ALA 363 Cb 0.23 -1.32 0.20 0.00 0.00 0.00 0.00 23.12 22.23 1gqr s ALA 363 CO -0.12 0.45 1.15 0.54 0.00 0.00 0.00 175.76 177.78 1gqr s ASN 364 N -0.39 2.59 0.26 0.00 2.20 -1.26 -4.68 114.94 113.66 1gqr s ASN 364 Ca 0.06 0.79 -0.02 0.00 -0.94 0.00 0.00 52.86 52.75 1gqr s ASN 364 Cb -0.12 -1.21 0.52 0.00 -2.00 0.00 0.00 41.25 38.44 1gqr s ASN 364 CO 0.02 -3.11 1.75 0.44 -2.94 0.00 0.00 177.10 173.27 1gqr h ASP 365 N -1.88 0.45 -0.72 3.54 3.32 -1.99 0.44 116.42 119.57 1gqr h ASP 365 Ca -0.49 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1gqr h ASP 365 Cb 1.31 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 1gqr h ASP 365 CO 0.50 0.18 0.41 0.25 -1.72 0.00 0.00 179.24 178.86 1gqr h LEU 366 N 0.56 0.89 -0.33 1.55 5.85 -1.99 0.76 115.31 122.60 1gqr h LEU 366 Ca 0.45 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1gqr h LEU 366 Cb 0.66 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1gqr h LEU 366 CO -0.38 0.71 0.17 1.23 -0.34 0.00 0.00 178.44 179.83 1gqr h GLY 367 N 0.99 0.50 1.33 3.75 0.00 -1.34 0.10 103.07 108.41 1gqr h GLY 367 Ca 0.26 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1gqr h GLY 367 CO -0.04 0.23 0.40 1.41 0.00 0.00 0.00 176.54 178.54 1gqr h LEU 368 N 0.40 0.79 -0.57 3.11 3.38 -0.50 -1.63 115.31 120.29 1gqr h LEU 368 Ca 0.12 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1gqr h LEU 368 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1gqr h LEU 368 CO -0.02 0.60 -0.26 0.44 0.09 0.00 0.00 178.44 179.29 1gqr h ASP 369 N 0.91 0.89 -0.57 -0.43 3.45 -0.19 -1.50 116.42 118.99 1gqr h ASP 369 Ca 0.24 -0.35 -0.01 0.00 0.43 0.00 0.00 57.03 57.34 1gqr h ASP 369 Cb -0.05 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.45 1gqr h ASP 369 CO -0.05 1.10 0.31 0.00 -1.57 0.00 0.00 179.24 179.03 1gqr h ALA 370 N 0.96 0.73 -0.03 3.45 0.00 -0.26 -0.76 119.26 123.34 1gqr h ALA 370 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gqr h ALA 370 Cb 0.81 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1gqr h ALA 370 CO 0.07 0.25 0.01 0.28 0.00 0.00 0.00 179.25 179.86 1gqr h VAL 371 N 0.76 1.16 -0.09 0.00 2.07 -1.14 -1.54 116.25 117.47 1gqr h VAL 371 Ca 0.20 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1gqr h VAL 371 Cb 0.06 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1gqr h VAL 371 CO -0.03 0.13 0.01 0.74 0.02 0.00 0.00 177.57 178.44 1gqr h THR 372 N -0.14 0.96 -0.63 2.57 2.02 -1.13 -0.98 112.91 115.58 1gqr h THR 372 Ca 0.01 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.20 1gqr h THR 372 Cb 0.20 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1gqr h THR 372 CO -0.00 0.01 0.40 0.25 0.37 0.00 0.00 175.52 176.54 1gqr h LEU 373 N 0.04 0.65 -1.29 2.58 5.85 -1.14 0.10 115.31 122.12 1gqr h LEU 373 Ca 0.04 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1gqr h LEU 373 Cb 0.04 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1gqr h LEU 373 CO -0.06 0.46 0.49 -0.61 -0.34 0.00 0.00 178.44 178.38 1gqr h GLN 374 N 0.78 0.94 -0.37 1.25 5.75 -0.83 -2.98 115.11 119.66 1gqr h GLN 374 Ca 0.25 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1gqr h GLN 374 Cb 0.01 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.34 1gqr h GLN 374 CO -0.10 0.62 0.00 0.66 -2.65 0.00 0.00 178.83 177.37 1gqr n TYR 375 N -4.43 0.93 -4.84 3.99 4.01 -0.41 -4.98 117.16 111.43 1gqr n TYR 375 Ca 0.08 -0.71 -0.33 0.00 -0.16 0.00 0.00 57.90 56.79 1gqr n TYR 375 Cb 0.06 -0.22 -0.15 0.00 -0.31 0.00 0.00 39.34 38.72 1gqr n TYR 375 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1gqr s THR 376 N -2.08 2.93 -0.66 -0.72 2.01 0.30 -4.86 115.64 112.56 1gqr s THR 376 Ca 0.38 -0.71 -0.20 0.00 0.31 0.00 0.00 61.69 61.47 1gqr s THR 376 Cb 0.27 -2.21 0.10 0.00 0.01 0.00 0.00 72.50 70.67 1gqr s THR 376 CO 0.14 0.54 0.83 -0.62 -0.69 0.00 0.00 174.62 174.82 1gqr s ASP 377 N 0.24 6.25 0.00 3.53 2.15 -1.26 -4.91 116.67 122.66 1gqr s ASP 377 Ca -0.10 -1.41 0.11 0.00 0.43 0.00 0.00 52.55 51.59 1gqr s ASP 377 Cb -0.16 -2.34 0.67 0.00 -0.30 0.00 0.00 42.92 40.79 1gqr s ASP 377 CO 0.06 -1.19 1.12 0.79 -0.17 0.00 0.00 175.17 175.77 1gqr n TRP 378 N 6.70 0.00 0.28 -5.34 7.02 -1.26 -1.31 117.44 123.52 1gqr n TRP 378 Ca -0.03 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.56 1gqr n TRP 378 Cb 0.44 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.26 1gqr n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1gqr n MET 379 N -0.82 0.48 -2.74 -0.99 2.81 -1.26 -4.55 117.12 110.04 1gqr n MET 379 Ca 0.08 -0.06 -0.09 0.00 -1.81 0.00 0.00 57.70 55.83 1gqr n MET 379 Cb 0.04 -1.60 0.08 0.00 -0.71 0.00 0.00 33.22 31.02 1gqr n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1gqr n ASP 380 N -2.19 -1.06 0.09 7.83 2.03 -0.67 -5.01 116.55 117.57 1gqr n ASP 380 Ca -0.01 -2.84 0.09 0.00 0.52 0.00 0.00 54.79 52.56 1gqr n ASP 380 Cb 0.50 0.75 0.42 0.00 -0.72 0.00 0.00 41.12 42.07 1gqr n ASP 380 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1gqr n ASP 381 N -0.19 0.42 -1.03 1.67 5.75 -0.43 -2.57 116.55 120.17 1gqr n ASP 381 Ca 0.04 0.63 0.11 0.00 -0.01 0.00 0.00 54.79 55.56 1gqr n ASP 381 Cb 0.79 -0.71 0.16 0.00 -1.03 0.00 0.00 41.12 40.33 1gqr n ASP 381 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1gqr n ASN 382 N -1.99 3.19 -4.60 -1.12 4.13 -1.26 -4.65 115.26 108.95 1gqr n ASN 382 Ca 0.02 -1.97 -0.43 0.00 1.68 0.00 0.00 54.58 53.88 1gqr n ASN 382 Cb 0.16 -0.13 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1gqr n ASN 382 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1gqr s ASN 383 N -1.65 5.55 0.40 6.41 3.04 -1.06 -4.84 114.94 122.79 1gqr s ASN 383 Ca 0.33 1.78 0.08 0.00 0.04 0.00 0.00 52.86 55.08 1gqr s ASN 383 Cb 0.21 -2.51 0.83 0.00 -1.54 0.00 0.00 41.25 38.23 1gqr s ASN 383 CO 0.30 -1.90 2.01 1.23 -3.04 0.00 0.00 177.10 175.69 1gqr h GLY 384 N 14.76 0.47 1.19 1.21 0.00 -1.92 0.32 103.07 119.10 1gqr h GLY 384 Ca -0.40 -0.21 -0.24 0.00 0.00 0.00 0.00 47.33 46.48 1gqr h GLY 384 CO 0.97 0.20 -0.86 -2.22 0.00 0.00 0.00 176.54 174.63 1gqr h ILE 385 N 0.44 1.27 -0.40 2.60 2.04 -1.88 0.28 117.51 121.86 1gqr h ILE 385 Ca 0.11 -2.06 -0.11 0.00 1.00 0.00 0.00 64.86 63.80 1gqr h ILE 385 Cb 0.09 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1gqr h ILE 385 CO -0.01 0.65 -0.21 0.11 0.00 0.00 0.00 178.15 178.69 1gqr h LYS 386 N 0.50 0.79 -0.32 2.37 1.57 -1.83 0.53 116.57 120.19 1gqr h LYS 386 Ca -0.08 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 58.26 1gqr h LYS 386 Cb 1.50 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 1gqr h LYS 386 CO 0.18 0.93 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.75 1gqr h ASN 387 N 0.70 0.72 0.06 0.86 2.35 -0.95 0.26 115.58 119.58 1gqr h ASN 387 Ca 0.10 -0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1gqr h ASN 387 Cb 0.72 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1gqr h ASN 387 CO 0.06 1.00 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.72 1gqr h ARG 388 N 0.59 -0.07 -0.01 0.81 1.12 -0.97 -2.30 114.38 113.55 1gqr h ARG 388 Ca 0.06 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 1gqr h ARG 388 Cb 0.85 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.81 1gqr h ARG 388 CO 0.07 0.33 -0.36 -0.44 -3.11 0.00 0.00 179.97 176.46 1gqr h ASP 389 N -0.49 0.02 -0.55 -3.80 3.32 -0.87 -1.91 116.42 112.14 1gqr h ASP 389 Ca -0.01 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1gqr h ASP 389 Cb 0.43 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1gqr h ASP 389 CO 0.01 0.38 0.06 1.23 -1.72 0.00 0.00 179.24 179.20 1gqr h GLY 390 N 1.09 1.05 1.18 2.75 0.00 -0.41 -1.46 103.07 107.27 1gqr h GLY 390 Ca -0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 47.33 46.45 1gqr h GLY 390 CO 0.05 0.65 -0.48 1.41 0.00 0.00 0.00 176.54 178.17 1gqr h LEU 391 N 0.91 0.96 -0.79 3.11 3.38 -0.94 -1.25 115.31 120.68 1gqr h LEU 391 Ca 0.18 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1gqr h LEU 391 Cb 0.45 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1gqr h LEU 391 CO 0.02 1.27 0.50 -0.78 0.09 0.00 0.00 178.44 179.54 1gqr h ASP 392 N 0.69 0.83 -0.19 -0.43 1.82 -1.10 -0.85 116.42 117.18 1gqr h ASP 392 Ca 0.03 -0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1gqr h ASP 392 Cb 1.08 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.90 1gqr h ASP 392 CO 0.11 0.57 -0.02 0.44 -1.61 0.00 0.00 179.24 178.72 1gqr h ASP 393 N 0.97 0.36 -0.04 2.28 3.32 -1.13 -0.55 116.42 121.64 1gqr h ASP 393 Ca 0.32 -0.34 0.03 0.00 0.02 0.00 0.00 57.03 57.06 1gqr h ASP 393 Cb 0.03 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1gqr h ASP 393 CO -0.12 0.61 -0.21 0.40 -1.72 0.00 0.00 179.24 178.20 1gqr h ILE 394 N 0.10 0.49 -0.20 0.35 2.04 -0.83 0.29 117.51 119.75 1gqr h ILE 394 Ca 0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.91 1gqr h ILE 394 Cb 0.45 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1gqr h ILE 394 CO 0.01 0.00 0.11 0.58 0.00 0.00 0.00 178.15 178.85 1gqr h VAL 395 N -0.32 1.11 -0.15 1.67 2.07 -1.16 -1.77 116.25 117.70 1gqr h VAL 395 Ca 0.07 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1gqr h VAL 395 Cb 0.42 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1gqr h VAL 395 CO -0.22 0.10 0.03 1.23 0.02 0.00 0.00 177.57 178.73 1gqr h GLY 396 N 0.22 0.27 0.95 2.17 0.00 -0.86 -1.53 103.07 104.27 1gqr h GLY 396 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1gqr h GLY 396 CO -0.01 0.16 -0.12 -0.55 0.00 0.00 0.00 176.54 176.02 1gqr h ASP 397 N 0.04 -0.28 -0.18 0.19 3.32 -0.41 0.85 116.42 119.94 1gqr h ASP 397 Ca 0.05 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1gqr h ASP 397 Cb 0.29 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1gqr h ASP 397 CO 0.00 -0.15 0.09 -0.74 -1.72 0.00 0.00 179.24 176.72 1gqr h HIS 398 N -0.39 0.26 0.00 4.55 2.76 -1.37 0.72 115.15 121.68 1gqr h HIS 398 Ca -0.03 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 1gqr h HIS 398 Cb 0.30 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 1gqr h HIS 398 CO -0.04 0.27 -0.98 -0.91 -1.30 0.00 0.00 177.93 174.96 1gqr h ASN 399 N 0.17 0.00 0.00 3.26 2.35 -1.28 -3.40 115.58 116.67 1gqr h ASN 399 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1gqr h ASN 399 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1gqr h ASN 399 CO -0.01 0.62 0.00 0.52 -1.65 0.00 0.00 177.43 176.92 1gqr n VAL 400 N -3.10 0.54 0.27 2.81 0.31 0.18 -4.54 118.33 114.79 1gqr n VAL 400 Ca -0.04 0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 1gqr n VAL 400 Cb 0.82 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 32.69 1gqr n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gqr h ILE 401 N 0.00 0.24 -0.39 2.52 2.04 -1.32 -1.40 117.51 119.20 1gqr h ILE 401 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1gqr h ILE 401 Cb 0.00 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1gqr h ILE 401 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.08 1gqr h PRO 403 N 0.62 1.00 -0.74 0.00 0.11 -1.70 -1.21 132.00 130.09 1gqr h PRO 403 Ca 0.11 -0.35 -0.05 0.00 0.11 0.00 0.00 66.00 65.82 1gqr h PRO 403 Cb 0.50 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1gqr h PRO 403 CO 0.03 1.03 0.25 1.25 -0.21 0.00 0.00 178.00 180.35 1gqr h LEU 404 N 0.90 1.05 -0.87 2.35 6.46 -0.91 -0.81 115.31 123.48 1gqr h LEU 404 Ca 0.14 -0.19 -0.10 0.00 -0.12 0.00 0.00 57.88 57.61 1gqr h LEU 404 Cb 0.64 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1gqr h LEU 404 CO 0.04 0.97 -0.28 0.24 -0.62 0.00 0.00 178.44 178.79 1gqr h MET 405 N 1.09 0.51 -0.28 1.25 2.86 -0.92 0.16 114.93 119.61 1gqr h MET 405 Ca 0.24 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1gqr h MET 405 Cb 0.28 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1gqr h MET 405 CO -0.01 0.74 0.00 1.25 1.06 0.00 0.00 176.91 179.95 1gqr h HIS 406 N 0.45 0.54 -0.58 -0.22 -0.00 -0.71 -2.12 115.15 112.50 1gqr h HIS 406 Ca 0.06 -0.09 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 1gqr h HIS 406 Cb 0.72 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1gqr h HIS 406 CO 0.02 0.64 0.21 0.35 -0.00 0.00 0.00 177.93 179.15 1gqr h PHE 407 N 0.28 0.91 -0.74 5.26 3.57 -0.81 -1.29 116.94 124.11 1gqr h PHE 407 Ca 0.08 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1gqr h PHE 407 Cb 0.42 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1gqr h PHE 407 CO 0.04 0.75 0.29 -0.24 -2.23 0.00 0.00 178.31 176.91 1gqr h VAL 408 N 0.81 1.25 -0.14 1.41 3.04 -0.61 0.19 116.25 122.19 1gqr h VAL 408 Ca 0.19 -0.81 -0.16 0.00 -1.01 0.00 0.00 66.70 64.91 1gqr h VAL 408 Cb 0.24 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.91 1gqr h VAL 408 CO -0.01 0.33 -0.60 0.78 -1.01 0.00 0.00 177.57 177.06 1gqr h ASN 409 N 1.07 0.52 -0.12 3.17 2.35 -1.20 0.08 115.58 121.46 1gqr h ASN 409 Ca 0.25 -0.29 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1gqr h ASN 409 Cb 0.23 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1gqr h ASN 409 CO -0.02 1.00 -0.21 0.11 -1.65 0.00 0.00 177.43 176.66 1gqr h LYS 410 N 0.35 0.36 0.05 0.81 1.79 -0.97 -3.25 116.57 115.71 1gqr h LYS 410 Ca -0.00 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1gqr h LYS 410 Cb 1.13 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1gqr h LYS 410 CO 0.11 0.81 -0.02 -0.92 -1.08 0.00 0.00 179.45 178.34 1gqr h TYR 411 N -0.06 -0.06 -0.30 -1.35 3.20 -0.59 -2.81 116.97 115.00 1gqr h TYR 411 Ca 0.01 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1gqr h TYR 411 Cb 0.79 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1gqr h TYR 411 CO 0.10 0.06 0.46 1.15 -1.64 0.00 0.00 178.16 178.29 1gqr h THR 412 N -0.17 0.23 -0.03 1.81 2.02 -1.05 0.33 112.91 116.05 1gqr h THR 412 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1gqr h THR 412 Cb 0.15 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1gqr h THR 412 CO 0.01 0.00 -0.40 0.11 0.37 0.00 0.00 175.52 175.62 1gqr h LYS 413 N 0.00 0.07 0.00 6.66 1.57 -1.53 -3.29 116.57 120.05 1gqr h LYS 413 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1gqr h LYS 413 Cb 1.06 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1gqr h LYS 413 CO -0.00 0.46 -0.78 1.19 -0.57 0.00 0.00 179.45 179.74 1gqr n PHE 414 N -4.06 0.00 -0.91 -1.35 3.72 0.12 -5.06 117.46 109.92 1gqr n PHE 414 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.09 1gqr n PHE 414 Cb 0.44 -0.06 0.24 0.00 -0.94 0.00 0.00 39.48 39.15 1gqr n PHE 414 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1gqr s GLY 415 N -2.07 1.54 -0.22 1.37 0.00 0.94 -4.81 107.32 104.07 1gqr s GLY 415 Ca -0.00 -0.67 0.14 0.00 0.00 0.00 0.00 44.72 44.18 1gqr s GLY 415 CO 0.20 0.15 1.42 -2.01 0.00 0.00 0.00 173.10 172.85 1gqr n ASN 416 N -4.80 3.20 0.00 1.64 4.05 -0.22 -4.89 115.26 114.25 1gqr n ASN 416 Ca 0.09 -3.33 0.00 0.00 0.45 0.00 0.00 54.58 51.79 1gqr n ASN 416 Cb 0.58 -0.58 0.00 0.00 1.23 0.00 0.00 39.78 41.02 1gqr n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1gqr n GLY 417 N -0.84 3.72 3.17 8.20 0.00 -1.25 -4.63 105.19 113.56 1gqr n GLY 417 Ca 0.26 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1gqr n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gqr s THR 418 N 0.00 1.46 -0.15 2.61 2.01 -1.26 -0.98 115.64 119.33 1gqr s THR 418 Ca 0.00 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 1gqr s THR 418 Cb 0.00 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.31 1gqr s THR 418 CO 0.00 0.42 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.96 1gqr s TYR 419 N -0.24 1.78 -0.10 4.92 1.51 -0.34 -0.04 117.35 124.83 1gqr s TYR 419 Ca 0.03 -1.05 -0.00 0.00 -1.01 0.00 0.00 57.07 55.04 1gqr s TYR 419 Cb -0.09 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1gqr s TYR 419 CO 0.01 -0.61 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.58 1gqr s LEU 420 N 1.61 2.98 0.22 -1.29 2.96 -1.25 -0.45 118.68 123.47 1gqr s LEU 420 Ca 0.03 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1gqr s LEU 420 Cb -0.14 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.83 1gqr s LEU 420 CO -0.08 0.25 -0.10 -0.72 -1.32 0.00 0.00 176.35 174.38 1gqr s TYR 421 N -0.17 1.71 -0.34 5.38 -0.85 -0.47 -2.12 117.35 120.49 1gqr s TYR 421 Ca 0.01 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 55.89 1gqr s TYR 421 Cb -0.13 -0.88 0.12 0.00 0.38 0.00 0.00 41.96 41.44 1gqr s TYR 421 CO 0.03 0.26 0.16 0.12 -1.52 0.00 0.00 175.55 174.60 1gqr s PHE 422 N -3.08 1.29 -0.40 -3.49 5.36 0.14 -2.75 117.98 115.06 1gqr s PHE 422 Ca 0.25 -1.69 -0.29 0.00 -0.96 0.00 0.00 56.93 54.24 1gqr s PHE 422 Cb 0.02 -1.43 0.01 0.00 -0.34 0.00 0.00 43.02 41.28 1gqr s PHE 422 CO 0.08 -0.84 1.34 0.12 -1.46 0.00 0.00 175.22 174.46 1gqr s PHE 423 N 1.33 2.53 -0.13 10.12 5.36 -0.10 -0.89 117.98 136.20 1gqr s PHE 423 Ca 0.13 0.72 0.16 0.00 -0.96 0.00 0.00 56.93 56.99 1gqr s PHE 423 Cb -0.20 -4.24 0.41 0.00 -0.34 0.00 0.00 43.02 38.65 1gqr s PHE 423 CO -0.17 -1.81 1.20 0.27 -1.46 0.00 0.00 175.22 173.26 1gqr n ASN 424 N 8.40 1.46 -4.47 6.13 6.94 -1.08 -1.16 115.26 131.50 1gqr n ASN 424 Ca 0.15 -3.22 -0.36 0.00 -0.02 0.00 0.00 54.58 51.13 1gqr n ASN 424 Cb 0.48 -0.44 -0.12 0.00 -2.36 0.00 0.00 39.78 37.33 1gqr n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1gqr s HIS 425 N -2.09 3.10 -0.15 -2.53 2.46 -1.24 -4.96 115.29 109.88 1gqr s HIS 425 Ca 0.36 -0.36 -0.24 0.00 0.47 0.00 0.00 55.06 55.29 1gqr s HIS 425 Cb 0.37 -2.23 -0.02 0.00 -0.13 0.00 0.00 32.58 30.57 1gqr s HIS 425 CO -0.10 -0.31 0.74 0.50 -2.47 0.00 0.00 174.74 173.11 1gqr s ARG 426 N 1.51 4.31 0.27 2.88 3.52 -1.26 -4.92 118.95 125.25 1gqr s ARG 426 Ca 0.06 0.88 -0.31 0.00 -0.13 0.00 0.00 55.73 56.23 1gqr s ARG 426 Cb -0.15 -3.54 -0.13 0.00 -1.56 0.00 0.00 34.95 29.57 1gqr s ARG 426 CO 0.04 -0.20 1.48 0.00 -0.81 0.00 0.00 175.30 175.81 1gqr n ALA 427 N 4.81 1.74 0.22 6.12 0.00 -1.26 -4.87 120.51 127.27 1gqr n ALA 427 Ca 0.01 0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.91 1gqr n ALA 427 Cb 0.50 -2.36 0.52 0.00 0.00 0.00 0.00 19.45 18.11 1gqr n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gqr h SER 428 N 4.40 0.00 -0.52 0.00 4.64 -1.94 -2.19 113.55 117.93 1gqr h SER 428 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1gqr h SER 428 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1gqr h SER 428 CO 0.77 0.21 0.00 -0.46 -0.87 0.00 0.00 176.83 176.48 1gqr n ASN 429 N -4.09 5.01 -4.68 4.97 6.94 -1.26 -4.95 115.26 117.20 1gqr n ASN 429 Ca -0.02 -2.74 -0.42 0.00 -0.02 0.00 0.00 54.58 51.38 1gqr n ASN 429 Cb 0.28 -0.64 -0.03 0.00 -2.36 0.00 0.00 39.78 37.03 1gqr n ASN 429 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1gqr s LEU 430 N -2.28 4.34 0.36 -4.53 0.20 -0.83 -4.90 118.68 111.04 1gqr s LEU 430 Ca 0.48 2.31 0.24 0.00 0.69 0.00 0.00 54.13 57.84 1gqr s LEU 430 Cb 0.35 -3.55 0.45 0.00 -0.43 0.00 0.00 46.19 43.02 1gqr s LEU 430 CO 0.16 -0.87 1.62 -0.37 -0.29 0.00 0.00 176.35 176.60 1gqr h VAL 431 N 5.17 0.00 -4.22 1.68 -1.51 -1.92 -3.46 116.25 111.99 1gqr h VAL 431 Ca -0.40 -0.85 -0.50 0.00 -1.23 0.00 0.00 66.70 63.72 1gqr h VAL 431 Cb 1.19 1.81 0.09 0.00 -2.13 0.00 0.00 31.29 32.25 1gqr h VAL 431 CO 0.94 0.00 0.37 0.26 -1.23 0.00 0.00 177.57 177.91 1gqr s TRP 432 N -3.19 2.83 0.83 5.19 0.52 -1.26 -4.98 118.94 118.88 1gqr s TRP 432 Ca 0.08 1.52 -0.13 0.00 0.02 0.00 0.00 56.10 57.58 1gqr s TRP 432 Cb 0.07 -3.06 0.07 0.00 -1.15 0.00 0.00 33.47 29.40 1gqr s TRP 432 CO 0.66 -1.40 0.97 -0.35 0.02 0.00 0.00 176.95 176.84 1gqr n PRO 433 N -2.41 0.04 -0.18 4.98 -0.04 -1.26 -4.92 135.00 131.21 1gqr n PRO 433 Ca 0.09 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1gqr n PRO 433 Cb 0.53 -2.24 0.24 0.00 -0.04 0.00 0.00 33.50 31.98 1gqr n PRO 433 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gqr h GLU 434 N -1.06 0.92 -0.01 0.54 4.39 -1.94 -2.87 114.58 114.55 1gqr h GLU 434 Ca -0.45 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1gqr h GLU 434 Cb 1.30 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1gqr h GLU 434 CO 0.43 0.67 0.02 0.11 -1.16 0.00 0.00 179.01 179.08 1gqr h TRP 435 N 0.93 0.00 0.00 4.33 5.08 -1.91 -0.61 115.95 123.76 1gqr h TRP 435 Ca 0.24 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.17 1gqr h TRP 435 Cb 0.02 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.17 1gqr h TRP 435 CO 0.01 0.00 -0.17 0.52 -1.28 0.00 0.00 178.44 177.52 1gqr h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.87 -3.49 114.93 112.55 1gqr h MET 436 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1gqr h MET 436 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1gqr h MET 436 CO -0.00 0.17 0.00 0.41 1.06 0.00 0.00 176.91 178.55 1gqr n GLY 437 N 0.24 1.80 3.42 8.32 0.00 -0.24 -4.02 105.19 114.71 1gqr n GLY 437 Ca 0.01 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1gqr n GLY 437 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gqr n VAL 438 N 0.00 3.98 -1.72 1.61 0.31 -1.26 -4.89 118.33 116.36 1gqr n VAL 438 Ca 0.00 -4.13 -0.41 0.00 -0.01 0.00 0.00 64.34 59.79 1gqr n VAL 438 Cb 0.00 -2.41 0.01 0.00 -0.91 0.00 0.00 33.84 30.53 1gqr n VAL 438 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1gqr n ILE 439 N 5.69 2.56 -1.74 2.52 5.41 -1.26 -1.99 119.36 130.55 1gqr n ILE 439 Ca 0.46 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 63.29 1gqr n ILE 439 Cb 0.44 -1.67 -0.01 0.00 -0.71 0.00 0.00 39.64 37.69 1gqr n ILE 439 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1gqr n HIS 440 N -0.14 2.76 0.00 1.39 -0.00 -1.20 -1.92 115.22 116.11 1gqr n HIS 440 Ca 0.06 0.39 0.00 0.00 -0.00 0.00 0.00 57.72 58.17 1gqr n HIS 440 Cb 0.40 -2.53 0.00 0.00 -0.00 0.00 0.00 29.99 27.86 1gqr n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gqr n GLY 441 N 1.26 1.98 1.11 1.57 0.00 -1.26 -4.92 105.19 104.91 1gqr n GLY 441 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1gqr n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqr n TYR 442 N -2.00 0.88 0.09 1.61 4.02 -0.81 -2.79 117.16 118.17 1gqr n TYR 442 Ca 0.00 -0.36 0.06 0.00 -0.01 0.00 0.00 57.90 57.59 1gqr n TYR 442 Cb 0.00 -0.29 -0.10 0.00 -0.02 0.00 0.00 39.34 38.93 1gqr n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1gqr n GLU 443 N 0.21 0.79 -0.19 -0.72 0.00 -1.26 -4.51 120.64 114.96 1gqr n GLU 443 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 57.16 57.15 1gqr n GLU 443 Cb 0.67 -1.27 0.07 0.00 0.00 0.00 0.00 31.44 30.90 1gqr n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1gqr h ILE 444 N 0.00 0.97 -0.08 3.84 2.04 -1.92 -0.37 117.51 121.99 1gqr h ILE 444 Ca 0.00 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1gqr h ILE 444 Cb 0.54 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1gqr h ILE 444 CO 0.00 0.11 0.07 1.05 0.00 0.00 0.00 178.15 179.37 1gqr h GLU 445 N 0.58 0.00 0.18 2.37 4.11 -1.79 0.21 114.58 120.24 1gqr h GLU 445 Ca 0.25 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.37 1gqr h GLU 445 Cb 0.15 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.42 1gqr h GLU 445 CO -0.16 0.00 -1.34 0.74 0.07 0.00 0.00 179.01 178.32 1gqr h PHE 446 N 0.00 0.89 -0.28 2.06 -1.00 -1.39 -0.03 116.94 117.19 1gqr h PHE 446 Ca 0.04 -0.61 -0.07 0.00 2.81 0.00 0.00 57.97 60.13 1gqr h PHE 446 Cb 0.17 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1gqr h PHE 446 CO 0.00 1.47 -0.14 0.28 -1.61 0.00 0.00 178.31 178.31 1gqr h VAL 447 N 0.18 1.23 -0.46 -0.55 2.07 0.19 -2.52 116.25 116.40 1gqr h VAL 447 Ca -0.21 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1gqr h VAL 447 Cb 2.03 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1gqr h VAL 447 CO 0.25 0.34 0.00 0.49 0.02 0.00 0.00 177.57 178.66 1gqr n PHE 448 N -4.20 0.61 -2.35 1.57 3.01 0.59 -4.64 117.46 112.05 1gqr n PHE 448 Ca 0.00 -0.30 -0.19 0.00 1.01 0.00 0.00 57.45 57.97 1gqr n PHE 448 Cb 0.33 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 1gqr n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gqr n GLY 449 N 1.28 -0.38 0.26 1.37 0.00 -0.95 -4.21 105.19 102.56 1gqr n GLY 449 Ca 0.17 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.14 1gqr n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gqr h LEU 450 N 0.00 0.30 -0.95 0.99 -0.00 -1.28 -2.87 115.31 111.50 1gqr h LEU 450 Ca -0.46 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1gqr h LEU 450 Cb 1.34 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1gqr h LEU 450 CO 0.54 0.37 0.00 -2.65 -0.00 0.00 0.00 178.44 176.70 1gqr n PRO 451 N -4.34 0.10 0.17 1.13 -0.02 -1.26 -1.66 135.00 129.12 1gqr n PRO 451 Ca 0.00 0.57 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 1gqr n PRO 451 Cb 0.21 -1.82 0.15 0.00 -0.02 0.00 0.00 33.50 32.01 1gqr n PRO 451 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1gqr h LEU 452 N 0.00 0.00 -8.53 2.45 3.38 -1.82 -3.40 115.31 107.39 1gqr h LEU 452 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1gqr h LEU 452 Cb 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1gqr h LEU 452 CO 0.00 0.40 0.91 -0.69 0.09 0.00 0.00 178.44 179.15 1gqr s VAL 453 N -3.17 4.05 0.30 1.22 1.01 -0.66 -4.91 120.40 118.23 1gqr s VAL 453 Ca 0.03 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1gqr s VAL 453 Cb 0.08 -4.72 0.30 0.00 0.00 0.00 0.00 36.38 32.04 1gqr s VAL 453 CO 0.71 -1.37 1.78 0.07 0.00 0.00 0.00 175.10 176.29 1gqr h LYS 454 N 9.57 0.74 -0.00 2.72 -0.00 -1.85 -1.46 116.57 126.28 1gqr h LYS 454 Ca -0.26 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.35 1gqr h LYS 454 Cb 1.06 -0.17 -0.00 0.00 -0.00 0.00 0.00 32.23 33.12 1gqr h LYS 454 CO 1.18 0.49 0.09 0.93 -0.00 0.00 0.00 179.45 182.14 1gqr h GLU 455 N 0.77 0.00 -0.00 0.07 3.07 -1.95 -0.66 114.58 115.88 1gqr h GLU 455 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1gqr h GLU 455 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1gqr h GLU 455 CO -0.38 0.00 -0.00 1.28 -1.40 0.00 0.00 179.01 178.51 1gqr n LEU 456 N -3.06 0.01 -3.46 1.33 4.77 -0.55 -4.96 117.00 111.09 1gqr n LEU 456 Ca -0.03 0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.94 1gqr n LEU 456 Cb 0.15 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1gqr n LEU 456 CO 0.19 0.00 0.09 0.59 -1.33 0.00 0.00 177.39 176.93 1gqr n ASN 457 N -1.16 -1.97 -4.97 -1.43 3.02 -0.26 -4.96 115.26 103.54 1gqr n ASN 457 Ca 0.18 -0.64 -0.20 0.00 -0.03 0.00 0.00 54.58 53.89 1gqr n ASN 457 Cb 0.19 -5.02 -0.01 0.00 -0.61 0.00 0.00 39.78 34.32 1gqr n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1gqr s TYR 458 N -3.39 3.24 0.72 3.10 1.51 -1.26 -4.57 117.35 116.70 1gqr s TYR 458 Ca 0.00 -0.14 -0.11 0.00 -1.01 0.00 0.00 57.07 55.81 1gqr s TYR 458 Cb -0.00 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.09 1gqr s TYR 458 CO 0.74 0.21 1.10 0.95 -1.11 0.00 0.00 175.55 177.44 1gqr s THR 459 N -2.10 3.38 0.32 -0.71 -4.23 -1.26 -4.91 115.64 106.12 1gqr s THR 459 Ca 0.40 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1gqr s THR 459 Cb -0.09 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.57 1gqr s THR 459 CO 0.30 -0.58 1.94 0.00 -0.54 0.00 0.00 174.62 175.73 1gqr h ALA 460 N -0.73 1.41 -0.66 3.99 0.00 -1.99 -1.55 119.26 119.73 1gqr h ALA 460 Ca -0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1gqr h ALA 460 Cb 1.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1gqr h ALA 460 CO 0.63 0.49 0.19 0.93 0.00 0.00 0.00 179.25 181.49 1gqr h GLU 461 N 0.90 1.02 -0.09 0.00 3.07 -1.98 -1.84 114.58 115.66 1gqr h GLU 461 Ca 0.23 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.78 1gqr h GLU 461 Cb 0.02 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1gqr h GLU 461 CO -0.04 0.88 -0.39 0.93 -1.40 0.00 0.00 179.01 179.00 1gqr h GLU 462 N 0.98 0.18 -0.44 2.33 5.08 -1.67 -0.06 114.58 120.99 1gqr h GLU 462 Ca 0.21 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 1gqr h GLU 462 Cb 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1gqr h GLU 462 CO -0.01 0.55 -0.27 1.49 -1.00 0.00 0.00 179.01 179.78 1gqr h GLU 463 N 0.16 0.96 -0.60 2.33 4.81 -0.82 -0.21 114.58 121.21 1gqr h GLU 463 Ca 0.02 -0.44 -0.09 0.00 -0.13 0.00 0.00 59.36 58.72 1gqr h GLU 463 Cb 0.76 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1gqr h GLU 463 CO 0.06 1.11 0.04 0.00 -0.73 0.00 0.00 179.01 179.49 1gqr h ALA 464 N 0.83 0.80 -0.58 2.92 0.00 -0.92 -0.81 119.26 121.51 1gqr h ALA 464 Ca 0.09 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1gqr h ALA 464 Cb 0.85 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1gqr h ALA 464 CO 0.08 0.60 0.01 1.25 0.00 0.00 0.00 179.25 181.19 1gqr h LEU 465 N 0.93 0.99 -0.25 0.00 5.85 -0.88 -1.02 115.31 120.92 1gqr h LEU 465 Ca 0.17 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1gqr h LEU 465 Cb 0.50 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1gqr h LEU 465 CO 0.02 1.05 0.15 -1.28 -0.34 0.00 0.00 178.44 178.05 1gqr h SER 466 N 0.90 0.30 -0.57 1.25 0.87 -0.74 0.58 113.55 116.15 1gqr h SER 466 Ca 0.16 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1gqr h SER 466 Cb 0.54 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1gqr h SER 466 CO 0.03 0.26 0.22 0.03 -0.53 0.00 0.00 176.83 176.84 1gqr h ARG 467 N 0.32 0.89 -0.29 2.24 3.08 -0.98 0.53 114.38 120.18 1gqr h ARG 467 Ca 0.09 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.84 1gqr h ARG 467 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1gqr h ARG 467 CO -0.02 0.75 -0.42 -0.09 -1.07 0.00 0.00 179.97 179.12 1gqr h ARG 468 N 0.88 0.72 -0.12 0.04 2.43 -0.82 -1.41 114.38 116.09 1gqr h ARG 468 Ca 0.20 -0.38 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1gqr h ARG 468 Cb 0.21 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1gqr h ARG 468 CO -0.01 1.00 -0.53 0.82 -1.51 0.00 0.00 179.97 179.74 1gqr h ILE 469 N 0.58 1.35 -0.97 1.20 2.04 -0.46 -1.88 117.51 119.37 1gqr h ILE 469 Ca 0.04 -1.83 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1gqr h ILE 469 Cb 0.96 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 1gqr h ILE 469 CO 0.09 0.56 0.62 0.24 0.00 0.00 0.00 178.15 179.65 1gqr h MET 470 N 0.19 1.29 0.00 2.37 2.86 -0.86 0.16 114.93 120.94 1gqr h MET 470 Ca -0.03 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.38 1gqr h MET 470 Cb 1.17 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1gqr h MET 470 CO 0.11 0.87 -0.62 1.25 1.06 0.00 0.00 176.91 179.59 1gqr h HIS 471 N 1.32 0.00 -0.11 -0.22 -0.00 -1.22 -0.02 115.15 114.90 1gqr h HIS 471 Ca 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 1gqr h HIS 471 Cb -0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.29 1gqr h HIS 471 CO 0.00 0.62 -0.00 1.88 -0.00 0.00 0.00 177.93 180.43 1gqr h TYR 472 N 0.00 0.21 -0.14 5.26 0.05 -0.48 -0.37 116.97 121.50 1gqr h TYR 472 Ca -0.01 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1gqr h TYR 472 Cb 1.10 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 1gqr h TYR 472 CO 0.00 0.45 0.05 -1.49 -1.05 0.00 0.00 178.16 176.12 1gqr h TRP 473 N -0.09 0.21 -0.28 4.88 -0.00 -0.85 -1.86 115.95 117.95 1gqr h TRP 473 Ca 0.03 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.89 58.77 1gqr h TRP 473 Cb 0.37 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 29.46 1gqr h TRP 473 CO 0.04 0.30 -0.35 0.00 -0.00 0.00 0.00 178.44 178.42 1gqr h ALA 474 N 0.89 0.42 -0.65 1.49 0.00 -1.03 -1.09 119.26 119.28 1gqr h ALA 474 Ca 0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1gqr h ALA 474 Cb 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1gqr h ALA 474 CO -0.00 0.48 0.15 1.15 0.00 0.00 0.00 179.25 181.03 1gqr h THR 475 N 0.47 1.25 -0.34 0.00 2.02 -1.10 -1.07 112.91 114.15 1gqr h THR 475 Ca 0.03 -0.94 -0.08 0.00 0.77 0.00 0.00 66.41 66.20 1gqr h THR 475 Cb 0.94 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1gqr h THR 475 CO 0.08 0.36 -0.10 0.15 0.37 0.00 0.00 175.52 176.38 1gqr h PHE 476 N 0.98 0.74 -0.29 3.16 3.57 -1.05 0.12 116.94 124.18 1gqr h PHE 476 Ca 0.21 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1gqr h PHE 476 Cb 0.36 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1gqr h PHE 476 CO 0.03 0.83 0.18 0.00 -2.23 0.00 0.00 178.31 177.12 1gqr h ALA 477 N 0.80 1.76 0.08 2.41 0.00 -0.87 0.99 119.26 124.44 1gqr h ALA 477 Ca 0.08 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 1gqr h ALA 477 Cb 0.60 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1gqr h ALA 477 CO 0.04 0.21 -1.53 1.57 0.00 0.00 0.00 179.25 179.54 1gqr h LYS 478 N 0.40 0.17 0.00 0.00 2.10 -0.95 -3.42 116.57 114.88 1gqr h LYS 478 Ca 0.11 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1gqr h LYS 478 Cb -0.01 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1gqr h LYS 478 CO -0.02 0.99 -0.71 0.25 -2.00 0.00 0.00 179.45 177.96 1gqr n THR 479 N -3.36 0.00 -0.53 0.07 -2.24 0.41 -5.00 114.28 103.62 1gqr n THR 479 Ca -0.15 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1gqr n THR 479 Cb 1.03 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1gqr n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqr n GLY 480 N 1.90 0.70 3.16 3.38 0.00 0.34 -5.02 105.19 109.65 1gqr n GLY 480 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 1gqr n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1gqr s ASN 481 N -2.27 -0.14 0.52 1.61 3.04 -1.24 -4.92 114.94 111.54 1gqr s ASN 481 Ca 0.00 0.78 0.33 0.00 0.04 0.00 0.00 52.86 54.01 1gqr s ASN 481 Cb 0.00 0.87 1.36 0.00 -1.54 0.00 0.00 41.25 41.93 1gqr s ASN 481 CO 0.00 -0.21 1.97 1.55 -3.04 0.00 0.00 177.10 177.36 1gqr h PRO 482 N 7.80 0.00 -6.69 0.43 0.13 -1.82 -2.79 132.00 129.05 1gqr h PRO 482 Ca -0.24 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.39 1gqr h PRO 482 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1gqr h PRO 482 CO 0.21 0.00 0.17 -0.80 -0.23 0.00 0.00 178.00 177.34 1gqr s ASN 483 N -5.53 7.05 0.11 1.44 0.01 -1.26 -4.40 114.94 112.37 1gqr s ASN 483 Ca 0.01 1.49 -0.30 0.00 -0.71 0.00 0.00 52.86 53.35 1gqr s ASN 483 Cb 0.09 -2.45 -0.06 0.00 0.41 0.00 0.00 41.25 39.24 1gqr s ASN 483 CO 0.52 -0.06 1.13 -1.61 -1.51 0.00 0.00 177.10 175.58 1gqr s GLU 484 N -2.26 4.52 -0.12 -0.60 0.41 -1.26 -4.93 118.70 114.46 1gqr s GLU 484 Ca 0.48 1.71 -0.33 0.00 -0.41 0.00 0.00 54.97 56.43 1gqr s GLU 484 Cb -0.15 -3.32 -0.10 0.00 -1.78 0.00 0.00 34.13 28.77 1gqr s GLU 484 CO 0.20 -0.08 1.99 -2.30 -0.49 0.00 0.00 175.26 174.58 1gqr n PRO 485 N 3.15 2.15 -3.01 0.39 -0.02 -1.26 -3.35 135.00 133.05 1gqr n PRO 485 Ca 0.06 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1gqr n PRO 485 Cb 0.47 -2.78 0.01 0.00 -0.02 0.00 0.00 33.50 31.18 1gqr n PRO 485 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1gqr n HIS 486 N 7.93 -3.16 -4.32 6.00 -0.00 -1.26 -5.04 115.22 115.36 1gqr n HIS 486 Ca 0.25 1.31 -0.17 0.00 -0.00 0.00 0.00 57.72 59.11 1gqr n HIS 486 Cb 0.33 -3.33 -0.10 0.00 -0.00 0.00 0.00 29.99 26.89 1gqr n HIS 486 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1gqr s SER 487 N -2.08 2.19 0.00 4.39 0.15 -1.21 -5.05 113.70 112.09 1gqr s SER 487 Ca 0.23 -1.07 0.29 0.00 0.70 0.00 0.00 55.95 56.10 1gqr s SER 487 Cb -0.05 -0.07 1.20 0.00 -1.71 0.00 0.00 66.02 65.40 1gqr s SER 487 CO 0.75 -0.30 1.84 0.00 1.20 0.00 0.00 173.24 176.73 1gqr n GLN 488 N -0.34 0.76 -2.22 5.44 3.00 -1.26 -4.89 117.38 117.87 1gqr n GLN 488 Ca -0.08 -0.28 -0.30 0.00 -0.01 0.00 0.00 57.00 56.32 1gqr n GLN 488 Cb 0.61 -1.49 -0.00 0.00 0.00 0.00 0.00 30.24 29.35 1gqr n GLN 488 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1gqr s GLU 489 N -2.43 3.67 0.27 -1.09 2.02 -1.26 -5.00 118.70 114.88 1gqr s GLU 489 Ca 0.30 0.66 -0.31 0.00 0.02 0.00 0.00 54.97 55.64 1gqr s GLU 489 Cb 0.20 -2.18 -0.12 0.00 0.10 0.00 0.00 34.13 32.14 1gqr s GLU 489 CO 0.47 -0.39 1.63 0.45 0.02 0.00 0.00 175.26 177.44 1gqr n SER 490 N -2.29 3.89 -4.69 -0.19 2.88 -1.26 -4.95 113.62 107.02 1gqr n SER 490 Ca 0.05 1.13 -0.40 0.00 -1.33 0.00 0.00 58.87 58.31 1gqr n SER 490 Cb 0.54 -1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 62.37 1gqr n SER 490 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1gqr s LYS 491 N -0.10 4.34 -0.52 -1.46 -0.14 -1.26 -5.01 119.74 115.59 1gqr s LYS 491 Ca 0.67 0.84 -0.28 0.00 -1.36 0.00 0.00 55.97 55.84 1gqr s LYS 491 Cb -0.50 -3.52 0.00 0.00 -1.68 0.00 0.00 37.83 32.14 1gqr s LYS 491 CO 0.45 -0.12 1.52 -0.46 -0.76 0.00 0.00 175.35 175.98 1gqr s TRP 492 N 1.45 2.15 0.75 3.18 -0.11 -1.26 -4.97 118.94 120.13 1gqr s TRP 492 Ca 0.35 0.56 -0.14 0.00 1.22 0.00 0.00 56.10 58.09 1gqr s TRP 492 Cb -0.17 -4.31 0.05 0.00 -1.50 0.00 0.00 33.47 27.54 1gqr s TRP 492 CO 0.14 -2.14 1.18 -1.25 -4.62 0.00 0.00 176.95 170.26 1gqr s PRO 493 N 5.68 2.07 0.23 5.86 0.04 -1.26 -4.91 135.00 142.71 1gqr s PRO 493 Ca 0.59 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1gqr s PRO 493 Cb -0.13 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1gqr s PRO 493 CO 0.26 -1.87 0.96 -1.17 0.04 0.00 0.00 177.00 175.22 1gqr s LEU 494 N -5.36 4.62 -0.13 -3.56 2.96 -1.26 -4.69 118.68 111.27 1gqr s LEU 494 Ca 0.72 1.96 -0.29 0.00 -0.22 0.00 0.00 54.13 56.30 1gqr s LEU 494 Cb -0.27 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.81 1gqr s LEU 494 CO 0.47 0.11 1.00 0.12 -1.32 0.00 0.00 176.35 176.73 1gqr s PHE 495 N -1.04 3.48 0.17 5.38 2.19 0.94 -4.50 117.98 124.60 1gqr s PHE 495 Ca 0.42 1.55 0.10 0.00 0.33 0.00 0.00 56.93 59.33 1gqr s PHE 495 Cb -0.26 -3.19 -0.04 0.00 -1.31 0.00 0.00 43.02 38.22 1gqr s PHE 495 CO 0.33 -0.26 -0.21 0.95 1.83 0.00 0.00 175.22 177.86 1gqr s THR 496 N 2.18 2.04 0.37 0.12 -4.23 -1.26 -4.25 115.64 110.61 1gqr s THR 496 Ca 0.47 -1.93 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1gqr s THR 496 Cb -0.18 -1.94 0.34 0.00 1.34 0.00 0.00 72.50 72.06 1gqr s THR 496 CO 0.16 -0.21 1.85 0.74 -0.54 0.00 0.00 174.62 176.63 1gqr h THR 497 N 3.30 0.77 0.09 3.99 2.02 -1.95 0.29 112.91 121.43 1gqr h THR 497 Ca -0.44 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 1gqr h THR 497 Cb 1.20 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1gqr h THR 497 CO 0.49 0.11 -0.04 0.11 0.37 0.00 0.00 175.52 176.56 1gqr h LYS 498 N 0.62 -0.12 0.05 6.66 6.56 -2.01 -3.40 116.57 124.93 1gqr h LYS 498 Ca 0.47 0.01 -0.25 0.00 -1.06 0.00 0.00 60.65 59.81 1gqr h LYS 498 Cb 0.87 0.03 0.01 0.00 -0.57 0.00 0.00 32.23 32.57 1gqr h LYS 498 CO -0.22 -0.07 -1.07 0.93 -2.06 0.00 0.00 179.45 176.96 1gqr h GLU 499 N -1.03 0.47 -6.01 3.15 4.39 -1.94 -3.48 114.58 110.12 1gqr h GLU 499 Ca -0.01 -0.57 -0.45 0.00 0.34 0.00 0.00 59.36 58.67 1gqr h GLU 499 Cb 0.10 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1gqr h GLU 499 CO 0.02 1.21 -0.72 1.04 -1.16 0.00 0.00 179.01 179.41 1gqr n GLN 500 N -3.74 -5.86 -2.40 2.33 6.02 0.10 -4.42 117.38 109.41 1gqr n GLN 500 Ca -0.09 0.66 -0.33 0.00 -0.01 0.00 0.00 57.00 57.23 1gqr n GLN 500 Cb 0.90 -5.58 -0.03 0.00 1.02 0.00 0.00 30.24 26.56 1gqr n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1gqr s LYS 501 N -6.45 3.78 0.26 -1.09 1.02 -1.26 -1.88 119.74 114.12 1gqr s LYS 501 Ca 0.61 1.16 -0.15 0.00 0.02 0.00 0.00 55.97 57.61 1gqr s LYS 501 Cb -0.30 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 1gqr s LYS 501 CO 0.75 -0.43 0.55 -0.59 -0.92 0.00 0.00 175.35 174.71 1gqr s PHE 502 N -2.34 0.24 0.18 3.18 -0.12 -0.47 -4.16 117.98 114.49 1gqr s PHE 502 Ca 0.63 -0.63 0.07 0.00 -0.05 0.00 0.00 56.93 56.95 1gqr s PHE 502 Cb -0.13 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 1gqr s PHE 502 CO 0.27 -1.08 -0.14 0.96 -0.05 0.00 0.00 175.22 175.17 1gqr s ILE 503 N -3.89 1.62 0.30 -4.49 -4.36 -0.90 -0.76 121.20 108.71 1gqr s ILE 503 Ca 0.20 -2.08 -0.15 0.00 -0.26 0.00 0.00 60.65 58.35 1gqr s ILE 503 Cb -0.02 -1.92 -0.09 0.00 1.25 0.00 0.00 42.46 41.68 1gqr s ILE 503 CO 0.09 -0.55 0.72 -1.81 0.24 0.00 0.00 174.94 173.62 1gqr s ASP 504 N -3.09 6.79 -0.36 4.36 1.01 -1.03 -0.68 116.67 123.67 1gqr s ASP 504 Ca 0.19 1.26 0.04 0.00 0.71 0.00 0.00 52.55 54.74 1gqr s ASP 504 Cb -0.02 -2.36 0.10 0.00 1.01 0.00 0.00 42.92 41.66 1gqr s ASP 504 CO 0.05 -0.16 0.08 -0.76 0.21 0.00 0.00 175.17 174.59 1gqr s LEU 505 N -2.85 4.51 0.00 1.23 1.43 -0.07 -4.59 118.68 118.34 1gqr s LEU 505 Ca 0.52 -2.23 -0.03 0.00 -1.03 0.00 0.00 54.13 51.36 1gqr s LEU 505 Cb -0.11 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.55 1gqr s LEU 505 CO 0.18 -0.36 0.27 -0.46 0.23 0.00 0.00 176.35 176.20 1gqr n ASN 506 N 4.15 -0.76 0.00 2.29 2.04 -1.26 -2.63 115.26 119.09 1gqr n ASN 506 Ca 0.04 -1.83 0.13 0.00 -0.44 0.00 0.00 54.58 52.48 1gqr n ASN 506 Cb 0.41 1.35 0.72 0.00 -2.53 0.00 0.00 39.78 39.73 1gqr n ASN 506 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1gqr n THR 507 N -0.26 0.09 -2.75 5.53 -2.24 -1.26 -4.82 114.28 108.57 1gqr n THR 507 Ca -0.01 0.02 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 1gqr n THR 507 Cb 0.27 -0.60 0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1gqr n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gqr s GLU 508 N -2.28 2.90 0.27 -0.78 8.01 -1.26 -5.03 118.70 120.53 1gqr s GLU 508 Ca 0.32 -0.41 -0.30 0.00 0.01 0.00 0.00 54.97 54.59 1gqr s GLU 508 Cb 0.18 -2.46 -0.11 0.00 -4.31 0.00 0.00 34.13 27.43 1gqr s GLU 508 CO 0.35 -0.49 1.61 -2.14 0.01 0.00 0.00 175.26 174.60 1gqr s PRO 509 N -4.73 4.13 0.14 0.39 0.02 -1.26 -4.86 135.00 128.84 1gqr s PRO 509 Ca 0.52 2.56 -0.33 0.00 0.02 0.00 0.00 61.00 63.77 1gqr s PRO 509 Cb -0.10 -3.04 -0.17 0.00 0.02 0.00 0.00 34.50 31.20 1gqr s PRO 509 CO 0.40 -0.65 0.95 -0.12 -0.33 0.00 0.00 177.00 177.26 1gqr n MET 510 N 2.65 0.54 -4.37 5.54 0.00 -1.26 -4.99 117.12 115.24 1gqr n MET 510 Ca 0.10 0.19 -0.21 0.00 -0.00 0.00 0.00 57.70 57.79 1gqr n MET 510 Cb 0.37 -1.55 -0.16 0.00 0.00 0.00 0.00 33.22 31.89 1gqr n MET 510 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1gqr s LYS 511 N -0.51 1.02 -0.13 2.12 2.20 -1.26 -5.05 119.74 118.14 1gqr s LYS 511 Ca 0.75 -0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 56.01 1gqr s LYS 511 Cb -0.98 -0.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.36 1gqr s LYS 511 CO 0.55 0.07 0.11 0.08 -0.36 0.00 0.00 175.35 175.80 1gqr s VAL 512 N 0.38 5.28 0.36 4.02 1.01 -1.26 -2.47 120.40 127.72 1gqr s VAL 512 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1gqr s VAL 512 Cb -0.11 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1gqr s VAL 512 CO 0.01 0.59 0.13 1.41 0.00 0.00 0.00 175.10 177.24 1gqr n HIS 513 N 2.24 0.12 -4.02 5.22 -0.00 0.06 -4.98 115.22 113.87 1gqr n HIS 513 Ca -0.19 -2.29 -0.08 0.00 -0.00 0.00 0.00 57.72 55.16 1gqr n HIS 513 Cb 0.54 -0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.42 1gqr n HIS 513 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1gqr s GLN 514 N -3.36 0.45 -0.88 -0.41 -0.21 -1.26 -1.37 119.66 112.61 1gqr s GLN 514 Ca 0.18 -0.86 -0.06 0.00 0.02 0.00 0.00 55.36 54.65 1gqr s GLN 514 Cb 0.01 0.16 -0.00 0.00 1.00 0.00 0.00 33.01 34.18 1gqr s GLN 514 CO 0.13 -0.08 0.69 0.54 -2.12 0.00 0.00 175.29 174.44 1gqr n ARG 515 N 0.95 -1.37 -1.53 2.91 1.74 -0.79 -4.80 116.66 113.78 1gqr n ARG 515 Ca -0.20 0.92 -0.48 0.00 -0.77 0.00 0.00 57.85 57.32 1gqr n ARG 515 Cb 0.58 -3.93 -0.06 0.00 -1.02 0.00 0.00 32.46 28.03 1gqr n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1gqr n LEU 516 N -2.76 2.65 -4.02 0.55 7.94 -1.26 -2.43 117.00 117.67 1gqr n LEU 516 Ca -0.15 0.45 -0.27 0.00 -1.11 0.00 0.00 56.01 54.93 1gqr n LEU 516 Cb 0.60 -1.36 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 1gqr n LEU 516 CO 0.61 -0.61 -0.22 0.54 -1.11 0.00 0.00 177.39 176.59 1gqr n ARG 517 N 8.07 -3.12 -0.02 1.96 1.74 -1.26 -4.88 116.66 119.14 1gqr n ARG 517 Ca 0.35 0.38 -0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1gqr n ARG 517 Cb 0.30 -4.54 -0.04 0.00 -1.02 0.00 0.00 32.46 27.16 1gqr n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1gqr h VAL 518 N -1.79 1.04 -0.15 1.55 -1.51 -1.84 -1.18 116.25 112.36 1gqr h VAL 518 Ca -0.63 -0.07 0.05 0.00 -1.23 0.00 0.00 66.70 64.82 1gqr h VAL 518 Cb 1.38 0.81 -0.07 0.00 -2.13 0.00 0.00 31.29 31.28 1gqr h VAL 518 CO 0.65 0.04 -0.34 -0.61 -1.23 0.00 0.00 177.57 176.08 1gqr h GLN 519 N 0.21 -0.39 -0.24 5.19 5.75 -1.90 0.21 115.11 123.94 1gqr h GLN 519 Ca 0.06 0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 1gqr h GLN 519 Cb -0.02 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1gqr h GLN 519 CO -0.01 -0.26 -0.40 0.52 -2.65 0.00 0.00 178.83 176.03 1gqr h MET 520 N -0.40 0.56 0.00 1.69 2.86 -1.95 -3.10 114.93 114.58 1gqr h MET 520 Ca 0.10 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1gqr h MET 520 Cb 0.56 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1gqr h MET 520 CO -0.38 0.87 -0.04 0.00 1.06 0.00 0.00 176.91 178.42 1gqr h VAL 522 N 0.00 1.34 0.19 0.00 2.07 -0.54 0.11 116.25 119.43 1gqr h VAL 522 Ca -0.00 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 1gqr h VAL 522 Cb 0.79 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1gqr h VAL 522 CO 0.01 0.60 -0.09 0.15 0.02 0.00 0.00 177.57 178.25 1gqr h PHE 523 N 0.36 -0.24 -0.42 1.57 3.57 -1.40 0.21 116.94 120.59 1gqr h PHE 523 Ca -0.01 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1gqr h PHE 523 Cb 1.21 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1gqr h PHE 523 CO 0.05 0.03 -0.32 -1.49 -2.23 0.00 0.00 178.31 174.35 1gqr h TRP 524 N -0.50 1.13 0.00 0.41 4.06 -1.24 0.26 115.95 120.07 1gqr h TRP 524 Ca -0.03 -0.31 -0.24 0.00 2.06 0.00 0.00 58.89 60.37 1gqr h TRP 524 Cb 0.38 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 1gqr h TRP 524 CO 0.00 1.14 -1.44 -0.91 -3.56 0.00 0.00 178.44 173.68 1gqr h ASN 525 N 0.79 0.00 0.00 -3.49 2.35 -0.83 -3.39 115.58 111.02 1gqr h ASN 525 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1gqr h ASN 525 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1gqr h ASN 525 CO 0.08 0.88 -0.15 0.00 -1.65 0.00 0.00 177.43 176.59 1gqr n GLN 526 N -3.08 0.08 0.41 0.81 3.00 0.62 -4.78 117.38 114.43 1gqr n GLN 526 Ca -0.11 0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 56.75 1gqr n GLN 526 Cb 0.97 -0.45 -0.08 0.00 0.00 0.00 0.00 30.24 30.68 1gqr n GLN 526 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1gqr h PHE 527 N -0.15 -0.96 -0.64 1.08 3.57 -1.10 -3.08 116.94 115.66 1gqr h PHE 527 Ca 0.00 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.59 1gqr h PHE 527 Cb 0.15 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.13 1gqr h PHE 527 CO -0.06 -0.60 0.21 1.25 -2.23 0.00 0.00 178.31 176.88 1gqr h LEU 528 N -1.08 0.16 -1.25 0.59 5.85 -0.75 -0.32 115.31 118.51 1gqr h LEU 528 Ca -0.11 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1gqr h LEU 528 Cb 0.79 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1gqr h LEU 528 CO 0.17 0.08 0.50 -0.65 -0.34 0.00 0.00 178.44 178.21 1gqr h PRO 529 N 0.37 1.00 -0.45 5.25 0.11 -1.75 -1.01 132.00 135.51 1gqr h PRO 529 Ca 0.34 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 1gqr h PRO 529 Cb 0.47 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1gqr h PRO 529 CO -0.36 0.66 -0.27 -0.22 -0.21 0.00 0.00 178.00 177.60 1gqr h LYS 530 N 1.03 0.98 0.37 1.05 3.64 -1.26 -1.50 116.57 120.87 1gqr h LYS 530 Ca 0.28 -0.45 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1gqr h LYS 530 Cb -0.11 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1gqr h LYS 530 CO -0.06 1.12 -0.18 1.25 -2.27 0.00 0.00 179.45 179.32 1gqr h LEU 531 N 0.82 -0.42 -1.38 5.20 6.46 -0.50 -1.97 115.31 123.54 1gqr h LEU 531 Ca 0.09 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1gqr h LEU 531 Cb 0.86 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 1gqr h LEU 531 CO 0.08 -0.27 0.18 -0.07 -0.62 0.00 0.00 178.44 177.74 1gqr h LEU 532 N -0.53 0.55 -0.33 2.25 3.38 -1.22 -1.75 115.31 117.66 1gqr h LEU 532 Ca -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1gqr h LEU 532 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gqr h LEU 532 CO 0.08 0.49 0.12 -1.13 0.09 0.00 0.00 178.44 178.09 1gqr h ASN 533 N 0.61 0.47 -0.01 -0.43 -0.73 -1.05 -2.92 115.58 111.51 1gqr h ASN 533 Ca 0.15 -0.18 -0.09 0.00 1.87 0.00 0.00 56.30 58.05 1gqr h ASN 533 Cb 0.11 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 1gqr h ASN 533 CO -0.02 0.52 -0.24 0.00 -0.37 0.00 0.00 177.43 177.32 1gqr h ALA 534 N 0.96 1.17 -0.03 1.57 0.00 -0.97 -3.51 119.26 118.45 1gqr h ALA 534 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1gqr h ALA 534 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1gqr h ALA 534 CO -0.01 0.53 0.00 0.25 0.00 0.00 0.00 179.25 180.02